A0A087XU25_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3P8NCS6), UniProt , Accession A0A087XU25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 215 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
1M37.8Very low69.2Low243 Ų243119 Ų119100%1.19761%0.605SS**  0100.30-80.7157.7103.700106.5
2G46.1Very low71.4Confident71 Ų71109.7 Ų109.773%0.73256%0.557SS**  trans-70.8129.9174.800000109
3T47.2Very low73.3Confident97 Ų97104.2 Ų104.260%0.59553%0.527SS*.  trans-67.7145.1174.238.80000109.4D5 D6T3-D5 PolarHBondContact O-N 3.41Å; T3-D6 PolarHBondContact O-N 3.3Å
4R54Low75Confident234 Ų23496.7 Ų96.788%0.88349%0.489SS*.G310 helixtrans-53.5-14.9179.5-78.2177.6169.4172.4-4.3114.7D6 E7R4-D6 PolarHBondContact O-N 3.28Å; R4-E7 PolarHBondContact O-N 3.1Å
5D53.9Low76.4Confident133 Ų13390.3 Ų90.371%0.71146%0.457SS*.G310 helixtrans-69.3-9172.6-80.2-24.2000115T3T3-D5 PolarHBondContact O-N 3.41Å
6D62.2Low77.7Confident95 Ų9584.6 Ų84.651%0.50843%0.428SS..G310 helixtrans-91.1-9.1174.9-75.4-36.3000113.8T3 R4 Y8 K61T3-D6 PolarHBondContact O-N 3.3Å; R4-D6 PolarHBondContact O-N 3.28Å; D6-Y8 WeakPolarHBondContact O-CD1 3.26Å; D6-Y8 PolarHBondContact O-N 3.36Å; D6-K61 IonicContact OD1-NZ 3.39Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å
7E84.3Confident78.7Confident159 Ų15979.6 Ų79.674%0.74340%0.403SS*.  trans-87.6109.2177.7-161.2167.9-165.400109.7R4R4-E7 PolarHBondContact O-N 3.1Å
8Y91Very high79.6Confident100 Ų10075.3 Ų75.339%0.39238%0.381SS..  trans-129.7146177.757.4-92.8000110.3D6 Y10 L11 K61D6-Y8 WeakPolarHBondContact O-CD1 3.26Å; D6-Y8 PolarHBondContact O-N 3.36Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.5Å; Y8-L11 HydrophobicContact CD2-CB 4.13Å; Y8-L11 HydrophobicContact CE2-CB 3.62Å; Y8-L11 HydrophobicContact CE2-CD1 4.34Å; Y8-L11 HydrophobicContact CE2-CG 4.4Å; Y8-K61 HydrophobicContact CD1-CB 4.12Å; Y8-K61 HydrophobicContact CD1-CD 3.5Å; Y8-K61 VanDerWaalsContact CD1-CD 3.5Å; Y8-K61 HydrophobicContact CD1-CG 4.46Å; Y8-K61 HydrophobicContact CD2-CB 4.31Å; Y8-K61 HydrophobicContact CE1-CD 3.83Å; Y8-K61 HydrophobicContact CG-CB 3.82Å; Y8-K61 HydrophobicContact CG-CD 4.11Å
9D93.6Very high80.4Confident76 Ų7672.4 Ų72.441%0.40637%0.367SS..SBendtrans-80.3-35.5175.6-64-91.6000111.3K58 T59D9-K58 HydrophobicContact CB-CB 4.2Å; D9-K58 HydrophobicContact CB-CD 3.87Å; D9-K58 VanDerWaalsContact OD1-CD 3.23Å; D9-K58 WeakPolarHBondContact OD1-CD 3.2Å; D9-K58 IonicContact OD1-NZ 2.82Å; D9-K58 PolarHBondContact OD1-NZ 3.33Å; D9-K58 WeakPolarHBondContact OD2-CA 3.18Å; D9-K58 WeakPolarHBondContact OD2-CD 3.46Å; D9-T59 PolarHBondContact N-O 2.89Å; D9-T59 PolarHBondContact OD2-N 2.94Å
10Y95.1Very high81Confident31 Ų3171 Ų7112%0.12236%0.364CS..EExtended strand (participates in β ladder)trans-136143.2-176.8-63.9-90000111.6Y8 F12 K58 T59 K61 Y173 V176 Q180Y8-Y10 WeakPolarHBondContact CD2-O 3.5Å; Y10-F12 AromaticContact CD1-CE1 3.99Å; Y10-F12 HydrophobicContact CD1-CE1 3.99Å; Y10-F12 AromaticContact CD1-CZ 3.96Å; Y10-F12 HydrophobicContact CD1-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.95Å; Y10-F12 HydrophobicContact CG-CZ 3.95Å; Y10-K58 HydrophobicContact CD2-CB 4.31Å; Y10-K58 HydrophobicContact CE2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.2Å; Y10-T59 PolarHBondContact N-O 3.4Å; Y10-K61 PolarHBondContact O-N 2.83Å; Y10-Y173 HydrophobicContact CD2-CD2 4.01Å; Y10-Y173 AromaticContact CD2-CE2 3.94Å; Y10-Y173 HydrophobicContact CD2-CE2 3.94Å; Y10-Y173 AromaticContact CE2-CD2 3.96Å; Y10-Y173 HydrophobicContact CE2-CD2 3.96Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.87Å; Y10-V176 HydrophobicContact CD1-CG1 4.19Å; Y10-V176 HydrophobicContact CE1-CG1 4.05Å; Y10-Q180 PolarHBondContact OH-OE1 3.2Å
11L95.6Very high81.6Confident70 Ų7069.9 Ų69.937%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-118.4116.9172.3-174.669.1000109Y8 K61 Q63Y8-L11 HydrophobicContact CD2-CB 4.13Å; Y8-L11 HydrophobicContact CE2-CB 3.62Å; Y8-L11 HydrophobicContact CE2-CD1 4.34Å; Y8-L11 HydrophobicContact CE2-CG 4.4Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.93Å; L11-K61 HydrophobicContact CD1-CD 4.26Å; L11-K61 HydrophobicContact CD1-CG 3.97Å; L11-Q63 HydrophobicContact CD1-CG 3.79Å; L11-Q63 HydrophobicContact CG-CG 4.48Å
12F96.6Very high84.3Confident7 Ų758.3 Ų58.33%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-115.8125.5179.9-62.1-27.2000111.3Y10 V60 K61 A62 Q63 V85 L169 I172 V176Y10-F12 AromaticContact CD1-CE1 3.99Å; Y10-F12 HydrophobicContact CD1-CE1 3.99Å; Y10-F12 AromaticContact CD1-CZ 3.96Å; Y10-F12 HydrophobicContact CD1-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.95Å; Y10-F12 HydrophobicContact CG-CZ 3.95Å; F12-V60 HydrophobicContact CD2-CG1 3.26Å; F12-V60 HydrophobicContact CE2-CB 4.46Å; F12-V60 HydrophobicContact CE2-CG1 3.45Å; F12-V60 VanDerWaalsContact CE2-CG1 3.45Å; F12-V60 HydrophobicContact CE2-CG2 4.12Å; F12-V60 HydrophobicContact CG-CG1 4.1Å; F12-V60 HydrophobicContact CZ-CG1 4.42Å; F12-K61 PolarHBondContact N-O 2.95Å; F12-A62 CarbonylContact O-C 3.58Å; F12-A62 WeakPolarHBondContact O-CA 3.3Å; F12-Q63 PolarHBondContact O-N 2.98Å; F12-V85 HydrophobicContact CB-CG2 3.78Å; F12-V85 HydrophobicContact CD1-CG2 4.1Å; F12-V85 HydrophobicContact CG-CG2 4.14Å; F12-L169 HydrophobicContact CB-CD2 4.14Å; F12-L169 HydrophobicContact CD2-CD2 4.01Å; F12-I172 HydrophobicContact CD1-CG2 3.85Å; F12-I172 HydrophobicContact CD2-CB 4.21Å; F12-I172 HydrophobicContact CD2-CG2 3.74Å; F12-I172 HydrophobicContact CE1-CG2 3.91Å; F12-I172 HydrophobicContact CE2-CB 4.23Å; F12-I172 HydrophobicContact CE2-CG2 3.81Å; F12-I172 HydrophobicContact CG-CG2 3.8Å; F12-I172 HydrophobicContact CZ-CG2 3.91Å; F12-V176 HydrophobicContact CE1-CB 4.44Å; F12-V176 HydrophobicContact CE1-CG1 4.42Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å
13K95.9Very high86.7Confident38 Ų3855.5 Ų55.517%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-87.6119.5170.6-179.3174.7174-170.70109.9Q63 Y80 R82 A84 V85 G86K13-Q63 WeakPolarHBondContact CA-O 3.49Å; K13-Y80 WeakPolarHBondContact CE-O 3.42Å; K13-Y80 PolarHBondContact NZ-O 2.89Å; K13-R82 PolarHBondContact NZ-O 3.15Å; K13-A84 HydrophobicContact CG-CB 4.36Å; K13-V85 WeakPolarHBondContact O-CG2 3.36Å; K13-V85 PolarHBondContact O-N 2.87Å; K13-G86 PolarHBondContact O-N 2.92Å
14V96.8Very high89Confident0 Ų051.2 Ų51.20%026%0.257CS..EExtended strand (participates in β ladder)trans-120.2137.3177.6-179.20000109.7Q63 I64 W65 G86 L169 I172V14-Q63 PolarHBondContact N-O 3.26Å; V14-I64 HydrophobicContact CB-CG1 4.47Å; V14-I64 CarbonylContact O-C 3.6Å; V14-I64 WeakPolarHBondContact O-CA 3.16Å; V14-W65 PolarHBondContact O-N 3.12Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.46Å; V14-L169 HydrophobicContact CG2-CD2 3.91Å; V14-I172 HydrophobicContact CG2-CD1 4.23Å
15V96.1Very high91Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-113.2142.4177.4-620000111I17 W65 Y81 A84 G86 A87 L88 L109V15-I17 HydrophobicContact CG2-CG2 4.22Å; V15-W65 HydrophobicContact CG1-CB 4.19Å; V15-Y81 HydrophobicContact CG2-CD1 4.32Å; V15-A84 HydrophobicContact CG1-CB 3.85Å; V15-A84 HydrophobicContact CG2-CB 4.21Å; V15-G86 PolarHBondContact N-O 3.46Å; V15-A87 HydrophobicContact CG2-CB 3.72Å; V15-A87 CarbonylContact O-C 3.6Å; V15-A87 VanDerWaalsContact O-CA 3.3Å; V15-A87 WeakPolarHBondContact O-CA 3.24Å; V15-L88 PolarHBondContact O-N 3.38Å; V15-L109 HydrophobicContact CG2-CD1 4.17Å
16L96.6Very high93Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-103.6119.8171.5-48.6-176.9000108.7K24 L28 I64 W65 D66 T67 L88 F165L16-K24 HydrophobicContact CB-CB 4.16Å; L16-K24 HydrophobicContact CB-CD 4.21Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-L28 HydrophobicContact CD1-CB 3.86Å; L16-I64 HydrophobicContact CD1-CG2 4.09Å; L16-I64 HydrophobicContact CD2-CG2 4.01Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L16-W65 PolarHBondContact N-O 3.01Å; L16-D66 HydrophobicContact CD1-CB 4.23Å; L16-T67 PolarHBondContact O-N 3.25Å; L16-T67 PolarHBondContact O-OG1 3.29Å; L16-L88 HydrophobicContact CD2-CB 3.68Å; L16-L88 HydrophobicContact CD2-CD1 3.66Å; L16-L88 HydrophobicContact CD2-CG 3.88Å; L16-F165 HydrophobicContact CD1-CZ 4.44Å; L16-F165 HydrophobicContact CD2-CE1 3.97Å; L16-F165 HydrophobicContact CD2-CZ 3.97Å
17I95.2Very high94.7Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-127.1159.7-177.464.3169.3000111.5V15 K24 Y81 L88 L89 V90 W105 L109V15-I17 HydrophobicContact CG2-CG2 4.22Å; I17-K24 VanDerWaalsContact C-CD 3.47Å; I17-Y81 HydrophobicContact CG2-CD1 4.41Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; I17-L88 PolarHBondContact N-O 3.33Å; I17-L89 HydrophobicContact CD1-CB 4.42Å; I17-L89 HydrophobicContact CD1-CD1 3.86Å; I17-L89 HydrophobicContact CG1-CB 4.19Å; I17-L89 HydrophobicContact CG1-CD1 3.76Å; I17-V90 PolarHBondContact O-N 2.99Å; I17-W105 HydrophobicContact CD1-CB 4.39Å; I17-L109 HydrophobicContact CD1-CB 3.82Å; I17-L109 HydrophobicContact CD1-CD1 4.27Å; I17-L109 HydrophobicContact CD1-CD2 3.77Å; I17-L109 HydrophobicContact CD1-CG 4.16Å
18G95.3Very high95.3Very high1 Ų123.3 Ų23.31%0.0113%0.132CC..SBendtrans134.3174.8-176.700000112.3K24 G69G18-K24 PolarHBondContact O-NZ 3.42Å; G18-G69 WeakPolarHBondContact O-CA 3.46Å
19D94.3Very high95.5Very high21 Ų2119.2 Ų19.211%0.11212%0.118CC..  trans-60.7162.4-173.8-826.5000114V22 K24 T98 N101 W105D19-V22 HydrophobicContact CB-CG1 3.74Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.36Å; D19-K24 PolarHBondContact O-NZ 3.5Å; D19-T98 HydrophobicContact CB-CG2 4.12Å; D19-N101 PolarHBondContact OD2-ND2 2.71Å; D19-W105 PolarHBondContact OD1-NE1 3.13Å
20S92.5Very high95.6Very high44 Ų4417.4 Ų17.431%0.30811%0.106SC..THydrogen-bonded Turntrans-64136.4172.5-167.60000110.6V22 S42 G69S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.04Å; S20-S42 PolarHBondContact OG-OG 3.18Å; S20-G69 PolarHBondContact N-O 3.13Å
21G92.7Very high95.6Very high47 Ų4716.1 Ų16.149%0.48510%0.101SC..THydrogen-bonded Turntrans78.64.1175.700000116G23 K125G21-G23 PolarHBondContact O-N 3.47Å; G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.36Å
22V96.1Very high95.6Very high0 Ų014.5 Ų14.50%09%0.094CC..SBendtrans-70.4-18.2172.9-57.30000113D19 S20 K24 V90 D92 T98 N124 K125D19-V22 HydrophobicContact CB-CG1 3.74Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.36Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.04Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; V22-V90 HydrophobicContact CB-CG1 4.32Å; V22-V90 HydrophobicContact CG2-CB 3.96Å; V22-V90 HydrophobicContact CG2-CG1 3.85Å; V22-D92 HydrophobicContact CB-CB 4.4Å; V22-D92 HydrophobicContact CG1-CB 4.28Å; V22-T98 HydrophobicContact CG1-CG2 3.85Å; V22-N124 PolarHBondContact O-ND2 3.46Å; V22-K125 WeakPolarHBondContact O-CE 3.5Å
23G95.9Very high95.4Very high12 Ų1219.4 Ų19.412%0.12411%0.112CC..SBendtrans106.320.6172.600000116G21 S25 N26 L27G21-G23 PolarHBondContact O-N 3.47Å; G23-S25 PolarHBondContact O-N 3.5Å; G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.17Å; G23-L27 PolarHBondContact O-N 3.24Å
24K96.1Very high95.2Very high8 Ų823 Ų234%0.03513%0.133CC..Hα-helixtrans-53.2-50.1177.2-55.9-172.9-61.1-75.80113.5L16 I17 G18 D19 V22 N26 L27 L28 D66 T67 V90L16-K24 HydrophobicContact CB-CB 4.16Å; L16-K24 HydrophobicContact CB-CD 4.21Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; I17-K24 VanDerWaalsContact C-CD 3.47Å; G18-K24 PolarHBondContact O-NZ 3.42Å; D19-K24 PolarHBondContact O-NZ 3.5Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.01Å; K24-L27 WeakPolarHBondContact O-CB 3.22Å; K24-L27 PolarHBondContact O-N 2.78Å; K24-L27 VanDerWaalsContact O-N 3.13Å; K24-L28 PolarHBondContact O-N 3.27Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; K24-T67 WeakPolarHBondContact CE-O 3.35Å; K24-V90 HydrophobicContact CG-CB 4.04Å; K24-V90 HydrophobicContact CG-CG2 4.07Å
25S95.4Very high95Very high21 Ų2128.1 Ų28.115%0.14716%0.157CC..Hα-helixtrans-63.1-34.1178.4-37.50000112.8G23 S29 T43 D66G23-S25 PolarHBondContact O-N 3.5Å; S25-S29 VanDerWaalsContact O-CB 3.32Å; S25-S29 WeakPolarHBondContact O-CB 3.47Å; S25-S29 PolarHBondContact O-N 3.22Å; S25-S29 PolarHBondContact O-OG 3.4Å; S25-T43 PolarHBondContact OG-OG1 2.8Å; S25-D66 WeakPolarHBondContact CA-OD2 3.44Å; S25-D66 VanDerWaalsContact CB-OD2 3.24Å; S25-D66 WeakPolarHBondContact CB-OD2 3.21Å; S25-D66 PolarHBondContact OG-OD2 2.84Å
26N96.4Very high94.8Very high11 Ų1131.3 Ų31.36%0.05917%0.171CC..Hα-helixtrans-73.3-36.8174.9-90.2-47.7000111.7G23 K24 R30 F36 N37 S40 A155G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.17Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.01Å; N26-R30 WeakPolarHBondContact O-CB 3.46Å; N26-R30 PolarHBondContact O-N 3.09Å; N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.12Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.25Å; N26-N37 PolarHBondContact ND2-O 3.06Å; N26-N37 PolarHBondContact OD1-N 3.41Å; N26-N37 PolarHBondContact OD1-O 3.11Å; N26-S40 PolarHBondContact ND2-OG 2.87Å; N26-A155 HydrophobicContact CB-CB 3.8Å
27L97.4Very high94.4Very high2 Ų235.5 Ų35.51%0.0119%0.194CC..Hα-helixtrans-62.7-43.8170.5-73.2170.2000111.3G23 K24 R30 F31 V90 V122 N124 A155 V161G23-L27 PolarHBondContact O-N 3.24Å; K24-L27 WeakPolarHBondContact O-CB 3.22Å; K24-L27 PolarHBondContact O-N 2.78Å; K24-L27 VanDerWaalsContact O-N 3.13Å; L27-R30 PolarHBondContact O-N 3.38Å; L27-F31 WeakPolarHBondContact O-CB 3.23Å; L27-F31 PolarHBondContact O-N 3.48Å; L27-V90 HydrophobicContact CD1-CG1 3.84Å; L27-V90 HydrophobicContact CD1-CG2 4.11Å; L27-V122 HydrophobicContact CD1-CG1 4.24Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.27Å; L27-V161 HydrophobicContact CD2-CG1 4.24Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å
28L96.6Very high93.8Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-61-50.8175.6-178.458.5000111.6L16 K24 R30 F31 T32 E47 A49 I64 D66L16-L28 HydrophobicContact CD1-CB 3.86Å; K24-L28 PolarHBondContact O-N 3.27Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; L28-F31 PolarHBondContact O-N 3.07Å; L28-T32 HydrophobicContact CD1-CG2 3.87Å; L28-T32 WeakPolarHBondContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CG2 3.32Å; L28-T32 PolarHBondContact O-N 3.15Å; L28-T32 PolarHBondContact O-OG1 3.37Å; L28-E47 HydrophobicContact CD2-CG 4.24Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.22Å; L28-A49 HydrophobicContact CG-CB 4.28Å; L28-I64 HydrophobicContact CD1-CB 3.71Å; L28-I64 HydrophobicContact CD1-CD1 4.13Å; L28-I64 HydrophobicContact CD1-CG2 3.53Å; L28-D66 HydrophobicContact CD2-CB 3.61Å
29S94.7Very high93.1Very high15 Ų1550.2 Ų50.211%0.10527%0.266CS..Hα-helixtrans-62.1-39.3179.3-62.10000111.1S25 T32 R33 N34 E35S25-S29 VanDerWaalsContact O-CB 3.32Å; S25-S29 WeakPolarHBondContact O-CB 3.47Å; S25-S29 PolarHBondContact O-N 3.22Å; S25-S29 PolarHBondContact O-OG 3.4Å; S29-T32 PolarHBondContact O-N 3.04Å; S29-R33 CarbonylContact O-C 3.44Å; S29-R33 WeakPolarHBondContact O-CA 3.4Å; S29-R33 WeakPolarHBondContact O-CB 3.43Å; S29-R33 PolarHBondContact O-N 3.29Å; S29-R33 PolarHBondContact OG-NH2 3.15Å; S29-N34 PolarHBondContact O-N 3.4Å; S29-E35 CarbonylContact C-O 3.57Å; S29-E35 PolarHBondContact O-N 2.84Å
30R96.1Very high92.4Very high38 Ų3851.7 Ų51.714%0.14328%0.278CS..Hα-helixtrans-68-42.7178.4-172.66578.6174.816.8111.7N26 L27 L28 N34 E35 F36 A155 L156 S158 V161N26-R30 WeakPolarHBondContact O-CB 3.46Å; N26-R30 PolarHBondContact O-N 3.09Å; L27-R30 PolarHBondContact O-N 3.38Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; R30-N34 WeakPolarHBondContact CD-OD1 3.32Å; R30-N34 PolarHBondContact NH1-O 3.2Å; R30-N34 WeakPolarHBondContact O-CA 3.48Å; R30-N34 PolarHBondContact O-N 3.37Å; R30-N34 VanDerWaalsContact O-N 3.11Å; R30-E35 WeakPolarHBondContact CA-O 3.45Å; R30-E35 PolarHBondContact N-O 3.05Å; R30-F36 VanDerWaalsContact CZ-CB 3.45Å; R30-A155 VanDerWaalsContact CZ-O 3.3Å; R30-A155 PolarHBondContact NE-O 3.41Å; R30-A155 PolarHBondContact NH2-O 3.14Å; R30-L156 PolarHBondContact NH2-O 3.34Å; R30-S158 WeakPolarHBondContact CD-OG 3.48Å; R30-S158 PolarHBondContact NE-OG 3.24Å; R30-V161 HydrophobicContact CB-CG1 4.12Å; R30-V161 HydrophobicContact CG-CB 4.32Å; R30-V161 HydrophobicContact CG-CG1 4.05Å; R30-V161 HydrophobicContact CG-CG2 4.16Å
31F96.3Very high91.8Very high3 Ų358.7 Ų58.71%0.01330%0.303CS..Hα-helixtrans-67.4-37.9175.9-177.9-111.3000112.2L27 L28 R51 I53 I64 V161 F165 L169L27-F31 WeakPolarHBondContact O-CB 3.23Å; L27-F31 PolarHBondContact O-N 3.48Å; L28-F31 PolarHBondContact O-N 3.07Å; F31-R51 HydrophobicContact CD1-CB 4.45Å; F31-R51 HydrophobicContact CE1-CB 3.83Å; F31-R51 HydrophobicContact CE1-CG 4.12Å; F31-R51 HydrophobicContact CZ-CB 4.47Å; F31-R51 HydrophobicContact CZ-CG 4.35Å; F31-R51 VanDerWaalsContact O-CD 3.23Å; F31-R51 WeakPolarHBondContact O-CD 3.45Å; F31-R51 PolarHBondContact O-NE 2.96Å; F31-R51 PolarHBondContact O-NH1 2.91Å; F31-I53 HydrophobicContact CZ-CG2 4.21Å; F31-I64 HydrophobicContact CD1-CD1 3.5Å; F31-I64 VanDerWaalsContact CD1-CD1 3.5Å; F31-I64 HydrophobicContact CE1-CD1 3.5Å; F31-I64 VanDerWaalsContact CE1-CD1 3.5Å; F31-V161 HydrophobicContact CB-CG1 4.13Å; F31-F165 HydrophobicContact CB-CD2 3.64Å; F31-F165 HydrophobicContact CB-CE2 3.58Å; F31-F165 HydrophobicContact CB-CG 4.35Å; F31-F165 HydrophobicContact CB-CZ 4.22Å; F31-F165 HydrophobicContact CD1-CB 4.29Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD2 4.01Å; F31-F165 HydrophobicContact CD1-CE1 4.28Å; F31-F165 HydrophobicContact CD1-CE2 4.33Å; F31-F165 AromaticContact CD1-CG 3.84Å; F31-F165 HydrophobicContact CD1-CG 3.84Å; F31-F165 HydrophobicContact CD1-CZ 4.45Å; F31-F165 HydrophobicContact CD2-CB 3.57Å; F31-F165 AromaticContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CD2 3.48Å; F31-F165 VanDerWaalsContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CE2 4.31Å; F31-F165 AromaticContact CD2-CG 3.63Å; F31-F165 HydrophobicContact CD2-CG 3.63Å; F31-F165 HydrophobicContact CE1-CB 4.01Å; F31-F165 HydrophobicContact CE1-CD1 4.06Å; F31-F165 AromaticContact CE1-CG 3.98Å; F31-F165 HydrophobicContact CE1-CG 3.98Å; F31-F165 HydrophobicContact CE2-CB 3.25Å; F31-F165 HydrophobicContact CE2-CD2 4.13Å; F31-F165 AromaticContact CE2-CG 3.8Å; F31-F165 HydrophobicContact CE2-CG 3.8Å; F31-F165 HydrophobicContact CG-CB 4.09Å; F31-F165 HydrophobicContact CG-CD1 4.24Å; F31-F165 AromaticContact CG-CD2 3.43Å; F31-F165 HydrophobicContact CG-CD2 3.43Å; F31-F165 VanDerWaalsContact CG-CD2 3.43Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.66Å; F31-F165 HydrophobicContact CG-CG 3.66Å; F31-F165 HydrophobicContact CG-CZ 4.38Å; F31-F165 HydrophobicContact CZ-CB 3.5Å; F31-F165 HydrophobicContact CZ-CD1 4.41Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å; F31-L169 HydrophobicContact CZ-CD1 4.5Å
32T93.9Very high91.2Very high36 Ų3659 Ų5922%0.22130%0.298CS..Hα-helixtrans-93.6-33.7-171.254.10000114.1L28 S29 A49 R51L28-T32 HydrophobicContact CD1-CG2 3.87Å; L28-T32 WeakPolarHBondContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CG2 3.32Å; L28-T32 PolarHBondContact O-N 3.15Å; L28-T32 PolarHBondContact O-OG1 3.37Å; S29-T32 PolarHBondContact O-N 3.04Å; T32-A49 HydrophobicContact CG2-CB 3.81Å; T32-R51 HydrophobicContact CG2-CB 4.42Å
33R92.3Very high90.3Very high110 Ų11060.3 Ų60.342%0.41531%0.305SS..Hα-helixtrans-123.7-4.5-172.3-60.5-178-75.5-101.22.7113.2S29 E35 E47S29-R33 CarbonylContact O-C 3.44Å; S29-R33 WeakPolarHBondContact O-CA 3.4Å; S29-R33 WeakPolarHBondContact O-CB 3.43Å; S29-R33 PolarHBondContact O-N 3.29Å; S29-R33 PolarHBondContact OG-NH2 3.15Å; R33-E35 HydrophobicContact CB-CB 4.14Å; R33-E35 HydrophobicContact CB-CG 3.86Å; R33-E35 WeakPolarHBondContact CD-OE2 3.44Å; R33-E35 IonicContact NE-OE2 3.22Å; R33-E35 PolarHBondContact NE-OE2 2.71Å; R33-E35 PolarHBondContact O-N 2.82Å; R33-E47 IonicContact CZ-OE1 3.7Å; R33-E47 IonicContact NH1-OE1 2.7Å; R33-E47 PolarHBondContact NH1-OE1 3.27Å; R33-E47 IonicContact NH2-OE1 3.53Å; R33-E47 PolarHBondContact NH2-OE1 3.11Å
34N92.6Very high89.1Confident113 Ų11366.3 Ų66.360%0.60433%0.333SS*.SBendtrans55.630-168.9-164.726.2000113.2S29 R30S29-N34 PolarHBondContact O-N 3.4Å; R30-N34 WeakPolarHBondContact CD-OD1 3.32Å; R30-N34 PolarHBondContact NH1-O 3.2Å; R30-N34 WeakPolarHBondContact O-CA 3.48Å; R30-N34 PolarHBondContact O-N 3.37Å; R30-N34 VanDerWaalsContact O-N 3.11Å
35E92.6Very high88Confident108 Ų10867.1 Ų67.151%0.50534%0.344SS..  trans-106.8153.4-177.8-72.7172.3174.300111.8S29 R30 R33S29-E35 CarbonylContact C-O 3.57Å; S29-E35 PolarHBondContact O-N 2.84Å; R30-E35 WeakPolarHBondContact CA-O 3.45Å; R30-E35 PolarHBondContact N-O 3.05Å; R33-E35 HydrophobicContact CB-CB 4.14Å; R33-E35 HydrophobicContact CB-CG 3.86Å; R33-E35 WeakPolarHBondContact CD-OE2 3.44Å; R33-E35 IonicContact NE-OE2 3.22Å; R33-E35 PolarHBondContact NE-OE2 2.71Å; R33-E35 PolarHBondContact O-N 2.82Å
36F92.5Very high87.4Confident67 Ų6768 Ų6829%0.29435%0.348SS..  trans-138.3136.5170.3173.3-90.9000110.4N26 R30 L38 A155 L156N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.12Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.25Å; R30-F36 VanDerWaalsContact CZ-CB 3.45Å; F36-L38 HydrophobicContact CE1-CB 3.98Å; F36-L38 HydrophobicContact CE1-CD1 4Å; F36-L38 HydrophobicContact CZ-CD1 4.22Å; F36-A155 HydrophobicContact CD2-CB 4.09Å; F36-A155 WeakPolarHBondContact CD2-O 3.47Å; F36-A155 HydrophobicContact CE2-CB 4.29Å; F36-L156 HydrophobicContact CD1-CD1 3.83Å; F36-L156 HydrophobicContact CE1-CD1 3.43Å; F36-L156 VanDerWaalsContact CE1-CD1 3.43Å; F36-L156 HydrophobicContact CE2-CB 4.16Å; F36-L156 HydrophobicContact CE2-CD1 4.39Å; F36-L156 HydrophobicContact CG-CD1 4.47Å; F36-L156 HydrophobicContact CZ-CB 4.19Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å
37N87.6Confident87Confident89 Ų8970.5 Ų70.548%0.47636%0.36SS..  trans-120.3111.2177.7-174-4.7000109.9N26 E39 S40N26-N37 PolarHBondContact ND2-O 3.06Å; N26-N37 PolarHBondContact OD1-N 3.41Å; N26-N37 PolarHBondContact OD1-O 3.11Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.3Å; N37-E39 WeakPolarHBondContact OD1-CA 3.48Å; N37-E39 PolarHBondContact OD1-N 2.92Å; N37-S40 WeakPolarHBondContact O-CB 3.35Å; N37-S40 PolarHBondContact O-N 3.15Å
38L82.3Confident86.6Confident145 Ų14574.7 Ų74.776%0.75938%0.378SS*.THydrogen-bonded Turntrans-64.2-33.6176.6-170.969.4000111.8F36 S40F36-L38 HydrophobicContact CE1-CB 3.98Å; F36-L38 HydrophobicContact CE1-CD1 4Å; F36-L38 HydrophobicContact CZ-CD1 4.22Å; L38-S40 VanDerWaalsContact C-N 3.26Å; L38-S40 PolarHBondContact O-N 3.16Å
39E81.1Confident86.5Confident165 Ų16575.2 Ų75.277%0.77138%0.382SS*.THydrogen-bonded Turntrans-92.125.2-179.8-58.8-172.3170.100112.4N37 K41N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.3Å; N37-E39 WeakPolarHBondContact OD1-CA 3.48Å; N37-E39 PolarHBondContact OD1-N 2.92Å; E39-K41 PolarHBondContact O-N 3.23Å
40S79.1Confident86.5Confident51 Ų5177.7 Ų77.736%0.35740%0.396SS..  trans-55113.2178.567.60000110.2N26 N37 L38N26-S40 PolarHBondContact ND2-OG 2.87Å; N37-S40 WeakPolarHBondContact O-CB 3.35Å; N37-S40 PolarHBondContact O-N 3.15Å; L38-S40 VanDerWaalsContact C-N 3.26Å; L38-S40 PolarHBondContact O-N 3.16Å
41K79.5Confident86.4Confident191 Ų19179.4 Ų79.483%0.8340%0.403SS*.PPolyproline II helixtrans-71.1160.6176.3-64.7-175.8-178.2177.20109.9E39 T43E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 3.44Å
42S81.6Confident86.4Confident55 Ų5581.8 Ų81.839%0.38542%0.42SS..PPolyproline II helixtrans-56.9129.1171.5-70.70000110.2S20 I44 Q70S20-S42 PolarHBondContact OG-OG 3.18Å; S42-I44 PolarHBondContact O-N 3.37Å; S42-Q70 PolarHBondContact OG-NE2 3.02Å
43T76.8Confident86.4Confident26 Ų2680.8 Ų80.816%0.1641%0.413CS..PPolyproline II helixtrans-62.4116.6175.1-42.40000109.7S25 K41 D66 A68S25-T43 PolarHBondContact OG-OG1 2.8Å; K41-T43 PolarHBondContact O-N 3.44Å; T43-D66 PolarHBondContact OG1-OD2 2.96Å; T43-A68 WeakPolarHBondContact O-CB 3.34Å
44I71.3Confident86.5Confident139 Ų13981.6 Ų81.671%0.71342%0.422SS*.SBendtrans-95.692.9173.6-56.5176.3000106.2S42S42-I44 PolarHBondContact O-N 3.37Å
45G71.9Confident86.5Confident24 Ų2476.5 Ų76.525%0.24740%0.395CS..SBendtrans104-135.2-175.900000113.1A68G45-A68 WeakPolarHBondContact O-CB 3.46Å; G45-A68 PolarHBondContact O-N 3.03Å
46V82.5Confident86.4Confident40 Ų4076.9 Ų76.924%0.24240%0.4CS..EExtended strand (participates in β ladder)trans-135130.4-174.5-176.70000110W65 D66 Y80V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.72Å; V46-D66 CarbonylContact C-O 3.58Å; V46-D66 VanDerWaalsContact CA-O 3.27Å; V46-D66 WeakPolarHBondContact CA-O 3.31Å; V46-D66 WeakPolarHBondContact CG1-O 3.38Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.42Å; V46-Y80 HydrophobicContact CG1-CD1 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CD1 4.25Å; V46-Y80 HydrophobicContact CG2-CD2 3.77Å; V46-Y80 HydrophobicContact CG2-CE1 3.99Å; V46-Y80 HydrophobicContact CG2-CE2 3.49Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.49Å; V46-Y80 HydrophobicContact CG2-CG 4.13Å
47E87.5Confident86.3Confident64 Ų6477 Ų7730%0.29942%0.42SS..EExtended strand (participates in β ladder)trans-97.6141.8169.7-176.5178.6166.600109.2L28 R33 W65 D66L28-E47 HydrophobicContact CD2-CG 4.24Å; R33-E47 IonicContact CZ-OE1 3.7Å; R33-E47 IonicContact NH1-OE1 2.7Å; R33-E47 PolarHBondContact NH1-OE1 3.27Å; R33-E47 IonicContact NH2-OE1 3.53Å; R33-E47 PolarHBondContact NH2-OE1 3.11Å; E47-W65 CarbonylContact O-C 3.58Å; E47-W65 WeakPolarHBondContact O-CA 3.38Å; E47-D66 HydrophobicContact CB-CB 4.22Å; E47-D66 PolarHBondContact N-O 2.94Å; E47-D66 PolarHBondContact O-N 2.69Å
48F90Very high86.6Confident90 Ų9076.4 Ų76.440%0.39541%0.413SS..EExtended strand (participates in β ladder)trans-122.6132.7-179.4170.7-98000109.7T50 Q63 I64 W65F48-T50 HydrophobicContact CE1-CG2 3.59Å; F48-T50 HydrophobicContact CE2-CG2 4.22Å; F48-T50 HydrophobicContact CZ-CG2 3.33Å; F48-Q63 HydrophobicContact CE2-CB 3.81Å; F48-Q63 HydrophobicContact CE2-CG 3.87Å; F48-Q63 HydrophobicContact CZ-CB 4.34Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å; F48-I64 WeakPolarHBondContact CA-O 3.33Å; F48-W65 HydrophobicContact CB-CE3 4.3Å; F48-W65 HydrophobicContact CB-CZ3 4.37Å; 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 4.06Å; F48-W65 HydrophobicContact CD2-CG 4.37Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.72Å; F48-W65 HydrophobicContact CD2-CZ2 3.72Å; F48-W65 HydrophobicContact CD2-CZ3 4.18Å; F48-W65 AromaticContact CD2-NE1 3.94Å; F48-W65 AromaticContact CE2-CE2 3.85Å; F48-W65 HydrophobicContact CE2-CH2 4.47Å; F48-W65 AromaticContact CE2-CZ2 3.85Å; F48-W65 HydrophobicContact CE2-CZ2 3.85Å; F48-W65 AromaticContact CE2-NE1 3.96Å
49A93.9Very high87.3Confident11 Ų1171 Ų719%0.09139%0.387CS..EExtended strand (participates in β ladder)trans-140.7157.6170.700000111.1L28 T32 I64L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.22Å; L28-A49 HydrophobicContact CG-CB 4.28Å; T32-A49 HydrophobicContact CG2-CB 3.81Å; A49-I64 PolarHBondContact N-O 3.18Å; A49-I64 PolarHBondContact O-N 3.47Å
50T95Very high88Confident66 Ų6663.2 Ų63.241%0.40535%0.35SS..EExtended strand (participates in β ladder)trans-123.4142176.259.60000111.1F48 A62 Q63F48-T50 HydrophobicContact CE1-CG2 3.59Å; F48-T50 HydrophobicContact CE2-CG2 4.22Å; F48-T50 HydrophobicContact CZ-CG2 3.33Å; T50-A62 CarbonylContact C-O 3.59Å; T50-A62 WeakPolarHBondContact CA-O 3.36Å; T50-Q63 HydrophobicContact CG2-CG 4.04Å
51R94.6Very high88.8Confident74 Ų7462.3 Ų62.328%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-144.3135.5170.7-171.6169.8178.7-149.7-9.6109.9F31 T32 A62 E162F31-R51 HydrophobicContact CD1-CB 4.45Å; F31-R51 HydrophobicContact CE1-CB 3.83Å; F31-R51 HydrophobicContact CE1-CG 4.12Å; F31-R51 HydrophobicContact CZ-CB 4.47Å; F31-R51 HydrophobicContact CZ-CG 4.35Å; F31-R51 VanDerWaalsContact O-CD 3.23Å; F31-R51 WeakPolarHBondContact O-CD 3.45Å; F31-R51 PolarHBondContact O-NE 2.96Å; F31-R51 PolarHBondContact O-NH1 2.91Å; T32-R51 HydrophobicContact CG2-CB 4.42Å; R51-A62 PolarHBondContact N-O 3.49Å; R51-A62 WeakPolarHBondContact O-CB 3.35Å; R51-A62 PolarHBondContact O-N 2.89Å; R51-E162 IonicContact CZ-OE1 3.23Å; R51-E162 IonicContact CZ-OE2 2.71Å; R51-E162 IonicContact NH1-OE1 3.44Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 3.38Å; R51-E162 IonicContact NH2-OE1 3.18Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.39Å; R51-E162 PolarHBondContact NH2-OE2 3.32Å; R51-E162 VanDerWaalsContact NH2-OE2 3.15Å
52S94.8Very high89.6Confident54 Ų5453.2 Ų53.238%0.37830%0.3SS..EExtended strand (participates in β ladder)trans-94138173.3-59.60000110.1V60S52-V60 CarbonylContact C-O 3.56Å; S52-V60 VanDerWaalsContact CA-O 3.31Å; S52-V60 WeakPolarHBondContact CA-O 3.15Å
53I94.2Very high90.3Very high15 Ų1553.1 Ų53.18%0.07729%0.294CS..EExtended strand (participates in β ladder)trans-129.1160.1172.866.3161.2000110F31 V55 V60 L169F31-I53 HydrophobicContact CZ-CG2 4.21Å; I53-V55 HydrophobicContact CD1-CG2 3.56Å; I53-V55 HydrophobicContact CG1-CG2 3.97Å; I53-V60 HydrophobicContact CG1-CB 4.11Å; I53-V60 PolarHBondContact N-O 2.86Å; I53-V60 PolarHBondContact O-N 3.42Å; I53-L169 HydrophobicContact CD1-CB 3.68Å; I53-L169 HydrophobicContact CD1-CD1 3.49Å; I53-L169 VanDerWaalsContact CD1-CD1 3.49Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 4.03Å
54Q94.4Very high91.3Very high126 Ų12651.9 Ų51.959%0.58929%0.286SS*.EExtended strand (participates in β ladder)trans-96.7126.8172-70.6-65.5-31.100109.6K58 T59Q54-K58 WeakPolarHBondContact CA-O 3.47Å; Q54-K58 PolarHBondContact OE1-O 2.83Å; Q54-T59 PolarHBondContact NE2-OG1 3.24Å
55V93.7Very high92.4Very high6 Ų648 Ų484%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-131.9118.7175.2-176.70000107.9I53 G57 K58 V60 T170 Y173I53-V55 HydrophobicContact CD1-CG2 3.56Å; I53-V55 HydrophobicContact CG1-CG2 3.97Å; V55-G57 PolarHBondContact O-N 2.91Å; V55-G57 VanDerWaalsContact O-N 3.11Å; V55-K58 PolarHBondContact N-O 3.46Å; V55-K58 WeakPolarHBondContact O-CA 3.4Å; V55-K58 WeakPolarHBondContact O-CB 3.39Å; V55-K58 PolarHBondContact O-N 3.36Å; V55-V60 HydrophobicContact CB-CG2 4.05Å; V55-V60 HydrophobicContact CG2-CB 4.43Å; V55-V60 HydrophobicContact CG2-CG2 3.93Å; V55-T170 HydrophobicContact CG1-CG2 3.97Å; V55-Y173 HydrophobicContact CB-CG 4.5Å; V55-Y173 HydrophobicContact CG1-CD1 3.56Å; V55-Y173 HydrophobicContact CG1-CE1 4.17Å; V55-Y173 HydrophobicContact CG1-CG 3.88Å
56D90.8Very high93.4Very high117 Ų11746.9 Ų46.963%0.62625%0.251SS*.THydrogen-bonded Turntrans49.339.1179.4-60.9-20.8000114.1K58 Y173D56-K58 VanDerWaalsContact C-N 3.26Å; D56-K58 PolarHBondContact O-N 2.71Å; D56-Y173 HydrophobicContact CB-CE1 3.9Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.46Å
57G90.4Very high93.6Very high69 Ų6945 Ų4571%0.71124%0.239SC*.THydrogen-bonded Turntrans7510.6-178.600000114.9V55V55-G57 PolarHBondContact O-N 2.91Å; V55-G57 VanDerWaalsContact O-N 3.11Å
58K93.9Very high93.3Very high76 Ų7642 Ų4233%0.3323%0.226SC..EExtended strand (participates in β ladder)trans-108.7139.2175.3-64.4-67.6-176.3-1770111.2D9 Y10 Q54 V55 D56 V60 Y173D9-K58 HydrophobicContact CB-CB 4.2Å; D9-K58 HydrophobicContact CB-CD 3.87Å; D9-K58 VanDerWaalsContact OD1-CD 3.23Å; D9-K58 WeakPolarHBondContact OD1-CD 3.2Å; D9-K58 IonicContact OD1-NZ 2.82Å; D9-K58 PolarHBondContact OD1-NZ 3.33Å; D9-K58 WeakPolarHBondContact OD2-CA 3.18Å; D9-K58 WeakPolarHBondContact OD2-CD 3.46Å; Y10-K58 HydrophobicContact CD2-CB 4.31Å; Y10-K58 HydrophobicContact CE2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.2Å; Q54-K58 WeakPolarHBondContact CA-O 3.47Å; Q54-K58 PolarHBondContact OE1-O 2.83Å; V55-K58 PolarHBondContact N-O 3.46Å; V55-K58 WeakPolarHBondContact O-CA 3.4Å; V55-K58 WeakPolarHBondContact O-CB 3.39Å; V55-K58 PolarHBondContact O-N 3.36Å; D56-K58 VanDerWaalsContact C-N 3.26Å; D56-K58 PolarHBondContact O-N 2.71Å; K58-V60 PolarHBondContact O-N 2.86Å; K58-Y173 HydrophobicContact CB-CE2 4.18Å; K58-Y173 HydrophobicContact CG-CE2 4.13Å
59T95.4Very high92.5Very high33 Ų3338.1 Ų38.120%0.20221%0.211CC..EExtended strand (participates in β ladder)trans-84111175.6-56.60000109.3D9 Y10 Q54D9-T59 PolarHBondContact N-O 2.89Å; D9-T59 PolarHBondContact OD2-N 2.94Å; Y10-T59 PolarHBondContact N-O 3.4Å; Q54-T59 PolarHBondContact NE2-OG1 3.24Å
60V96.3Very high91.5Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-101.7116.41761770000109.1F12 S52 I53 V55 K58 L169 Y173F12-V60 HydrophobicContact CD2-CG1 3.26Å; F12-V60 HydrophobicContact CE2-CB 4.46Å; F12-V60 HydrophobicContact CE2-CG1 3.45Å; F12-V60 VanDerWaalsContact CE2-CG1 3.45Å; F12-V60 HydrophobicContact CE2-CG2 4.12Å; F12-V60 HydrophobicContact CG-CG1 4.1Å; F12-V60 HydrophobicContact CZ-CG1 4.42Å; S52-V60 CarbonylContact C-O 3.56Å; S52-V60 VanDerWaalsContact CA-O 3.31Å; S52-V60 WeakPolarHBondContact CA-O 3.15Å; I53-V60 HydrophobicContact CG1-CB 4.11Å; I53-V60 PolarHBondContact N-O 2.86Å; I53-V60 PolarHBondContact O-N 3.42Å; V55-V60 HydrophobicContact CB-CG2 4.05Å; V55-V60 HydrophobicContact CG2-CB 4.43Å; V55-V60 HydrophobicContact CG2-CG2 3.93Å; K58-V60 PolarHBondContact O-N 2.86Å; V60-L169 HydrophobicContact CG1-CD2 4.48Å; V60-Y173 HydrophobicContact CG2-CD2 4.46Å
61K96.6Very high90.1Very high33 Ų3342.3 Ų42.314%0.14322%0.224CC..EExtended strand (participates in β ladder)trans-90.3111.7172-168.1165.7-171.5162.90109.3D6 Y8 Y10 L11 F12D6-K61 IonicContact OD1-NZ 3.39Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å; Y8-K61 HydrophobicContact CD1-CB 4.12Å; Y8-K61 HydrophobicContact CD1-CD 3.5Å; Y8-K61 VanDerWaalsContact CD1-CD 3.5Å; Y8-K61 HydrophobicContact CD1-CG 4.46Å; Y8-K61 HydrophobicContact CD2-CB 4.31Å; Y8-K61 HydrophobicContact CE1-CD 3.83Å; Y8-K61 HydrophobicContact CG-CB 3.82Å; Y8-K61 HydrophobicContact CG-CD 4.11Å; Y10-K61 PolarHBondContact O-N 2.83Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.93Å; L11-K61 HydrophobicContact CD1-CD 4.26Å; L11-K61 HydrophobicContact CD1-CG 3.97Å; F12-K61 PolarHBondContact N-O 2.95Å
62A96.6Very high88.7Confident0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-88.5130174.800000110.4F12 T50 R51 I64 L169F12-A62 CarbonylContact O-C 3.58Å; F12-A62 WeakPolarHBondContact O-CA 3.3Å; T50-A62 CarbonylContact C-O 3.59Å; T50-A62 WeakPolarHBondContact CA-O 3.36Å; R51-A62 PolarHBondContact N-O 3.49Å; R51-A62 WeakPolarHBondContact O-CB 3.35Å; R51-A62 PolarHBondContact O-N 2.89Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.19Å; A62-L169 HydrophobicContact CB-CD1 3.79Å; A62-L169 HydrophobicContact CB-CD2 3.74Å; A62-L169 HydrophobicContact CB-CG 4.45Å
63Q96.5Very high87.5Confident53 Ų5348.2 Ų48.225%0.24824%0.238CC..EExtended strand (participates in β ladder)trans-105105.7169.5-78.8-173-21.800108.3L11 F12 K13 V14 F48 T50L11-Q63 HydrophobicContact CD1-CG 3.79Å; L11-Q63 HydrophobicContact CG-CG 4.48Å; F12-Q63 PolarHBondContact O-N 2.98Å; K13-Q63 WeakPolarHBondContact CA-O 3.49Å; V14-Q63 PolarHBondContact N-O 3.26Å; F48-Q63 HydrophobicContact CE2-CB 3.81Å; F48-Q63 HydrophobicContact CE2-CG 3.87Å; F48-Q63 HydrophobicContact CZ-CB 4.34Å; F48-Q63 HydrophobicContact CZ-CG 3.91Å; T50-Q63 HydrophobicContact CG2-CG 4.04Å
64I96.4Very high86.2Confident0 Ų049.2 Ų49.20%024%0.241CC..EExtended strand (participates in β ladder)trans-107.6125-171.8-52.4163.5000109.3V14 L16 L28 F31 F48 A49 A62 F165V14-I64 HydrophobicContact CB-CG1 4.47Å; V14-I64 CarbonylContact O-C 3.6Å; V14-I64 WeakPolarHBondContact O-CA 3.16Å; L16-I64 HydrophobicContact CD1-CG2 4.09Å; L16-I64 HydrophobicContact CD2-CG2 4.01Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L28-I64 HydrophobicContact CD1-CB 3.71Å; L28-I64 HydrophobicContact CD1-CD1 4.13Å; L28-I64 HydrophobicContact CD1-CG2 3.53Å; F31-I64 HydrophobicContact CD1-CD1 3.5Å; F31-I64 VanDerWaalsContact CD1-CD1 3.5Å; F31-I64 HydrophobicContact CE1-CD1 3.5Å; F31-I64 VanDerWaalsContact CE1-CD1 3.5Å; F48-I64 WeakPolarHBondContact CA-O 3.33Å; A49-I64 PolarHBondContact N-O 3.18Å; A49-I64 PolarHBondContact O-N 3.47Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.19Å; I64-F165 HydrophobicContact CD1-CD1 3.93Å; I64-F165 HydrophobicContact CD1-CE1 3.73Å; I64-F165 HydrophobicContact CG1-CE1 4.37Å; I64-F165 HydrophobicContact CG2-CE1 4.1Å
65W94.4Very high84.9Confident58 Ų5847.7 Ų47.722%0.2225%0.25CC..EExtended strand (participates in β ladder)trans-109.5109.1-179.3-59.579000109.1V14 V15 L16 V46 E47 F48 Y80V14-W65 PolarHBondContact O-N 3.12Å; V15-W65 HydrophobicContact CG1-CB 4.19Å; L16-W65 PolarHBondContact N-O 3.01Å; V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.72Å; E47-W65 CarbonylContact O-C 3.58Å; E47-W65 WeakPolarHBondContact O-CA 3.38Å; F48-W65 HydrophobicContact CB-CE3 4.3Å; F48-W65 HydrophobicContact CB-CZ3 4.37Å; 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 4.06Å; F48-W65 HydrophobicContact CD2-CG 4.37Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.72Å; F48-W65 HydrophobicContact CD2-CZ2 3.72Å; F48-W65 HydrophobicContact CD2-CZ3 4.18Å; F48-W65 AromaticContact CD2-NE1 3.94Å; F48-W65 AromaticContact CE2-CE2 3.85Å; F48-W65 HydrophobicContact CE2-CH2 4.47Å; F48-W65 AromaticContact CE2-CZ2 3.85Å; F48-W65 HydrophobicContact CE2-CZ2 3.85Å; F48-W65 AromaticContact CE2-NE1 3.96Å; W65-Y80 HydrophobicContact CD2-CD1 4.26Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.8Å; W65-Y80 HydrophobicContact CE3-CE1 3.8Å; W65-Y80 AromaticContact CZ3-CD1 3.76Å; W65-Y80 HydrophobicContact CZ3-CD1 3.76Å; W65-Y80 AromaticContact CZ3-CE1 3.62Å; W65-Y80 HydrophobicContact CZ3-CE1 3.62Å
66D92.6Very high83.8Confident0 Ų051.8 Ų51.80%027%0.271CS..EExtended strand (participates in β ladder)trans-83.5115.2170.5175.644.7000109.7L16 K24 S25 L28 T43 V46 E47L16-D66 HydrophobicContact CD1-CB 4.23Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; S25-D66 WeakPolarHBondContact CA-OD2 3.44Å; S25-D66 VanDerWaalsContact CB-OD2 3.24Å; S25-D66 WeakPolarHBondContact CB-OD2 3.21Å; S25-D66 PolarHBondContact OG-OD2 2.84Å; L28-D66 HydrophobicContact CD2-CB 3.61Å; T43-D66 PolarHBondContact OG1-OD2 2.96Å; V46-D66 CarbonylContact C-O 3.58Å; V46-D66 VanDerWaalsContact CA-O 3.27Å; V46-D66 WeakPolarHBondContact CA-O 3.31Å; V46-D66 WeakPolarHBondContact CG1-O 3.38Å; E47-D66 HydrophobicContact CB-CB 4.22Å; E47-D66 PolarHBondContact N-O 2.94Å; E47-D66 PolarHBondContact O-N 2.69Å
67T87.8Confident83Confident0 Ų046.3 Ų46.30%024%0.242CC..EExtended strand (participates in β ladder)trans-96.1150.6-176.572.60000112.4L16 K24 G69 T77L16-T67 PolarHBondContact O-N 3.25Å; L16-T67 PolarHBondContact O-OG1 3.29Å; K24-T67 WeakPolarHBondContact CE-O 3.35Å; T67-G69 PolarHBondContact O-N 3.13Å; T67-T77 HydrophobicContact CG2-CG2 3.75Å
68A81.8Confident82.3Confident1 Ų144.5 Ų44.51%0.00822%0.218CC..  trans-54.7128168.600000111.1T43 G45 Q70 Y73T43-A68 WeakPolarHBondContact O-CB 3.34Å; G45-A68 WeakPolarHBondContact O-CB 3.46Å; G45-A68 PolarHBondContact O-N 3.03Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; A68-Y73 HydrophobicContact CB-CD2 3.87Å; A68-Y73 HydrophobicContact CB-CG 4.34Å
69G73.3Confident81.8Confident8 Ų844.3 Ų44.38%0.08223%0.23CC..  trans-87.84.6173.800000113.9G18 S20 T67G18-G69 WeakPolarHBondContact O-CA 3.46Å; S20-G69 PolarHBondContact N-O 3.13Å; T67-G69 PolarHBondContact O-N 3.13Å
70Q72.9Confident81.3Confident42 Ų4246 Ų4620%0.19623%0.234CC..  trans-88.5128.6175.2-71.9-169.925.100110.3S42 A68 R72 Y73S42-Q70 PolarHBondContact OG-NE2 3.02Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.46Å; Q70-R72 VanDerWaalsContact O-N 3.12Å; Q70-Y73 HydrophobicContact CB-CD2 3.89Å; Q70-Y73 HydrophobicContact CB-CE2 4.21Å; Q70-Y73 PolarHBondContact O-N 3.38Å
71E63.9Low81Confident124 Ų12446 Ų4658%0.57923%0.234SC*.G310 helixtrans-54-30.4176.858.8-145.2173.100115.7Y73 R74E71-Y73 PolarHBondContact O-N 2.85Å; E71-Y73 VanDerWaalsContact O-N 3.11Å; E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 3.46Å; E71-R74 VanDerWaalsContact O-N 3.1Å; E71-R74 IonicContact OE2-NH1 3.65Å
72R65.5Low80.7Confident187 Ų18754.3 Ų54.371%0.70626%0.264SS*.G310 helixtrans-60.4-19.9177.5-65.6-172.3-65.5173.5-0.5113Q70Q70-R72 PolarHBondContact O-N 3.46Å; Q70-R72 VanDerWaalsContact O-N 3.12Å
73Y70.4Confident80.4Confident64 Ų6456.1 Ų56.125%0.25128%0.282SS..G310 helixtrans-105.26.1179.7-55.6-59.8000113.8A68 Q70 E71 A75 I76 T77A68-Y73 HydrophobicContact CB-CD2 3.87Å; A68-Y73 HydrophobicContact CB-CG 4.34Å; Q70-Y73 HydrophobicContact CB-CD2 3.89Å; Q70-Y73 HydrophobicContact CB-CE2 4.21Å; Q70-Y73 PolarHBondContact O-N 3.38Å; E71-Y73 PolarHBondContact O-N 2.85Å; E71-Y73 VanDerWaalsContact O-N 3.11Å; Y73-A75 VanDerWaalsContact C-N 3.3Å; Y73-A75 PolarHBondContact O-N 2.67Å; Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.49Å; Y73-I76 WeakPolarHBondContact O-CB 3.26Å; Y73-I76 PolarHBondContact O-N 2.95Å; Y73-T77 PolarHBondContact O-N 3.47Å; Y73-T77 PolarHBondContact O-OG1 3.49Å
74R66.8Low80.3Confident37 Ų3753.6 Ų53.614%0.1427%0.271CS..Hα-helixtrans-53.3-40.9-177.1-85.6176.5173.9129.96.5114.5E71 I76 T77 S78 W105 E108E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 3.46Å; E71-R74 VanDerWaalsContact O-N 3.1Å; E71-R74 IonicContact OE2-NH1 3.65Å; R74-I76 PolarHBondContact O-N 3.3Å; R74-T77 PolarHBondContact O-N 3.41Å; R74-T77 VanDerWaalsContact O-N 3.15Å; R74-S78 PolarHBondContact O-N 3.39Å; R74-W105 HydrophobicContact CG-CH2 4.47Å; R74-E108 IonicContact NE-OE2 3.77Å; R74-E108 PolarHBondContact NE-OE2 3.24Å
75A66.5Low80.3Confident93 Ų9355.8 Ų55.877%0.76928%0.284SS*.Hα-helixtrans-62.8-25.2178.700000113Y73Y73-A75 VanDerWaalsContact C-N 3.3Å; Y73-A75 PolarHBondContact O-N 2.67Å
76I71.3Confident80.4Confident93 Ų9353 Ų5348%0.47727%0.274SS..Hα-helixtrans-86.3-38.6176.2-61170.5000109.7Y73 R74 S78 A79 Y80Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.49Å; Y73-I76 WeakPolarHBondContact O-CB 3.26Å; Y73-I76 PolarHBondContact O-N 2.95Å; R74-I76 PolarHBondContact O-N 3.3Å; I76-S78 PolarHBondContact O-N 2.88Å; I76-A79 PolarHBondContact O-N 3.13Å; I76-Y80 HydrophobicContact CG2-CE2 4.03Å; I76-Y80 VanDerWaalsContact O-CD2 3.28Å; I76-Y80 WeakPolarHBondContact O-CD2 3.47Å; I76-Y80 WeakPolarHBondContact O-CE2 3.4Å
77T74.2Confident80.7Confident2 Ų253 Ų531%0.01227%0.274CS..Hα-helixtrans-64.7-36.9-176.2-52.10000113.4T67 Y73 R74 A79 Y80 Y81T67-T77 HydrophobicContact CG2-CG2 3.75Å; Y73-T77 PolarHBondContact O-N 3.47Å; Y73-T77 PolarHBondContact O-OG1 3.49Å; R74-T77 PolarHBondContact O-N 3.41Å; R74-T77 VanDerWaalsContact O-N 3.15Å; T77-A79 PolarHBondContact O-N 2.9Å; T77-Y80 WeakPolarHBondContact O-CB 3.41Å; T77-Y80 PolarHBondContact O-N 3.31Å; T77-Y81 HydrophobicContact CG2-CE1 3.71Å; T77-Y81 VanDerWaalsContact CG2-OH 3.3Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.28Å
78S76.3Confident81.2Confident30 Ų3053.1 Ų53.121%0.2127%0.274CS..Hα-helixtrans-60.8-29.6-17761.60000113.9R74 I76 Y80 Y81R74-S78 PolarHBondContact O-N 3.39Å; I76-S78 PolarHBondContact O-N 2.88Å; S78-Y80 PolarHBondContact O-N 3.41Å; S78-Y81 PolarHBondContact O-N 3.49Å
79A82.6Confident81.9Confident72 Ų7253 Ų5360%0.59527%0.274SS*.Hα-helixtrans-62.5-26.4175.500000112.8I76 T77I76-A79 PolarHBondContact O-N 3.13Å; T77-A79 PolarHBondContact O-N 2.9Å
80Y85.9Confident83.1Confident70 Ų7052.7 Ų52.728%0.27527%0.27SS..Hα-helixtrans-82.2-17.5-178.3-65.9-89000113.2K13 V46 W65 I76 T77 S78 R82K13-Y80 WeakPolarHBondContact CE-O 3.42Å; K13-Y80 PolarHBondContact NZ-O 2.89Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.42Å; V46-Y80 HydrophobicContact CG1-CD1 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CD1 4.25Å; V46-Y80 HydrophobicContact CG2-CD2 3.77Å; V46-Y80 HydrophobicContact CG2-CE1 3.99Å; V46-Y80 HydrophobicContact CG2-CE2 3.49Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.49Å; V46-Y80 HydrophobicContact CG2-CG 4.13Å; W65-Y80 HydrophobicContact CD2-CD1 4.26Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.8Å; W65-Y80 HydrophobicContact CE3-CE1 3.8Å; W65-Y80 AromaticContact CZ3-CD1 3.76Å; W65-Y80 HydrophobicContact CZ3-CD1 3.76Å; W65-Y80 AromaticContact CZ3-CE1 3.62Å; W65-Y80 HydrophobicContact CZ3-CE1 3.62Å; I76-Y80 HydrophobicContact CG2-CE2 4.03Å; I76-Y80 VanDerWaalsContact O-CD2 3.28Å; I76-Y80 WeakPolarHBondContact O-CD2 3.47Å; I76-Y80 WeakPolarHBondContact O-CE2 3.4Å; T77-Y80 WeakPolarHBondContact O-CB 3.41Å; T77-Y80 PolarHBondContact O-N 3.31Å; S78-Y80 PolarHBondContact O-N 3.41Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.68Å
81Y89.6Confident84.3Confident0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-71.6-25.8178.1-55.5-26.5000112.7V15 I17 T77 S78 G83 A84 E108 L109 H112V15-Y81 HydrophobicContact CG2-CD1 4.32Å; I17-Y81 HydrophobicContact CG2-CD1 4.41Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; T77-Y81 HydrophobicContact CG2-CE1 3.71Å; T77-Y81 VanDerWaalsContact CG2-OH 3.3Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.28Å; S78-Y81 PolarHBondContact O-N 3.49Å; Y81-G83 PolarHBondContact O-N 3.05Å; Y81-A84 VanDerWaalsContact O-CB 3.22Å; Y81-A84 WeakPolarHBondContact O-CB 3.46Å; Y81-A84 PolarHBondContact O-N 3.22Å; Y81-E108 HydrophobicContact CE2-CG 4.1Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.38Å; Y81-E108 PolarHBondContact OH-OE1 2.83Å; Y81-L109 HydrophobicContact CD1-CD1 4.08Å; Y81-L109 HydrophobicContact CG-CD1 4.08Å; Y81-H112 HydrophobicContact CD2-CB 3.83Å
82R88.8Confident86Confident207 Ų20745 Ų4578%0.78123%0.234SC*.THydrogen-bonded Turntrans-60.9127.5-179-171.4176.4-178.81330.9111.6K13 Y80 A84K13-R82 PolarHBondContact NZ-O 3.15Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.68Å; R82-A84 PolarHBondContact O-N 2.81Å
83G90.7Very high87.5Confident37 Ų3736 Ų3638%0.38120%0.2SC..THydrogen-bonded Turntrans70.510.2-178.400000114.3Y81Y81-G83 PolarHBondContact O-N 3.05Å
84A94.9Very high88.9Confident0 Ų034.1 Ų34.10%020%0.198CC..  trans-72.2127.5167.900000109.1K13 V15 Y81 R82 I117K13-A84 HydrophobicContact CG-CB 4.36Å; 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 3.46Å; Y81-A84 PolarHBondContact O-N 3.22Å; R82-A84 PolarHBondContact O-N 2.81Å; A84-I117 HydrophobicContact CB-CD1 4.02Å
85V96.1Very high90.3Very high47 Ų4738 Ų3829%0.28522%0.215SC..SBendtrans-96.7-14.5176.8-66.20000111.8F12 K13 V118 I172F12-V85 HydrophobicContact CB-CG2 3.78Å; F12-V85 HydrophobicContact CD1-CG2 4.1Å; F12-V85 HydrophobicContact CG-CG2 4.14Å; K13-V85 WeakPolarHBondContact O-CG2 3.36Å; K13-V85 PolarHBondContact O-N 2.87Å; V85-V118 PolarHBondContact O-N 2.62Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.32Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å
86G97.2Very high91.8Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-140.3153.2175.400000113.5K13 V14 V15 V118K13-G86 PolarHBondContact O-N 2.92Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.46Å; V15-G86 PolarHBondContact N-O 3.46Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.23Å; G86-V118 WeakPolarHBondContact CA-O 3.44Å
87A97.6Very high93Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-140.9136.7170.300000112.5V15 L109 I117 V118 I119 M120 I168V15-A87 HydrophobicContact CG2-CB 3.72Å; V15-A87 CarbonylContact O-C 3.6Å; V15-A87 VanDerWaalsContact O-CA 3.3Å; V15-A87 WeakPolarHBondContact O-CA 3.24Å; A87-L109 HydrophobicContact CB-CD1 4.22Å; A87-L109 HydrophobicContact CB-CD2 3.41Å; A87-L109 VanDerWaalsContact CB-CD2 3.41Å; A87-L109 HydrophobicContact CB-CG 4.46Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-V118 PolarHBondContact N-O 3.4Å; A87-I119 WeakPolarHBondContact O-CA 3.23Å; A87-M120 PolarHBondContact O-N 3.44Å; A87-I168 VanDerWaalsContact O-CD1 3.26Å; A87-I168 WeakPolarHBondContact O-CD1 3.34Å
88L98.1Very high94.1Very high1 Ų137.8 Ų37.81%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-98.5116.8162.4-61.2-174.4000108.8V15 L16 I17 V90 M120 V122 F165 I168V15-L88 PolarHBondContact O-N 3.38Å; L16-L88 HydrophobicContact CD2-CB 3.68Å; L16-L88 HydrophobicContact CD2-CD1 3.66Å; L16-L88 HydrophobicContact CD2-CG 3.88Å; I17-L88 PolarHBondContact N-O 3.33Å; L88-V90 HydrophobicContact CB-CG2 4.26Å; L88-M120 HydrophobicContact CD2-CB 3.75Å; L88-M120 HydrophobicContact CD2-CG 4.19Å; L88-M120 HydrophobicContact CD2-SD 3.95Å; L88-V122 HydrophobicContact CB-CG2 4.22Å; L88-V122 HydrophobicContact CD2-CG2 3.96Å; L88-V122 HydrophobicContact CG-CG2 4.47Å; L88-F165 HydrophobicContact CD1-CD1 3.96Å; L88-F165 HydrophobicContact CD1-CD2 4.37Å; L88-F165 HydrophobicContact CD1-CE1 3.55Å; L88-F165 HydrophobicContact CD1-CE2 4Å; L88-F165 HydrophobicContact CD1-CG 4.36Å; L88-F165 HydrophobicContact CD1-CZ 3.57Å; L88-I168 HydrophobicContact CD2-CB 4.43Å; L88-I168 HydrophobicContact CD2-CD1 3.78Å; L88-I168 HydrophobicContact CD2-CG2 4.14Å
89L97.8Very high95.1Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-96.7106.1175.7175.853.5000108.9I17 V102 W105 L106 I119 M120 L121 V122I17-L89 HydrophobicContact CD1-CB 4.42Å; I17-L89 HydrophobicContact CD1-CD1 3.86Å; I17-L89 HydrophobicContact CG1-CB 4.19Å; I17-L89 HydrophobicContact CG1-CD1 3.76Å; L89-V102 HydrophobicContact CD1-CG1 4.46Å; L89-V102 HydrophobicContact CD2-CG1 3.49Å; L89-V102 VanDerWaalsContact CD2-CG1 3.49Å; L89-V102 HydrophobicContact CG-CG1 3.93Å; L89-W105 HydrophobicContact CD1-CB 3.49Å; L89-W105 VanDerWaalsContact CD1-CB 3.49Å; L89-W105 HydrophobicContact CD1-CG 4.25Å; L89-L106 HydrophobicContact CD2-CB 3.88Å; L89-L106 HydrophobicContact CD2-CD1 4.31Å; L89-I119 HydrophobicContact CB-CG2 4.41Å; L89-M120 PolarHBondContact N-O 2.97Å; L89-L121 HydrophobicContact CD2-CD1 4.41Å; L89-L121 HydrophobicContact CG-CD1 4.11Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.37Å; L89-V122 PolarHBondContact O-N 3.02Å
90V98.4Very high95.8Very high1 Ų139.2 Ų39.21%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-106.5132.1-166.1-168.50000111.3I17 V22 K24 L27 L88 V122 N124I17-V90 PolarHBondContact O-N 2.99Å; V22-V90 HydrophobicContact CB-CG1 4.32Å; V22-V90 HydrophobicContact CG2-CB 3.96Å; V22-V90 HydrophobicContact CG2-CG1 3.85Å; K24-V90 HydrophobicContact CG-CB 4.04Å; K24-V90 HydrophobicContact CG-CG2 4.07Å; L27-V90 HydrophobicContact CD1-CG1 3.84Å; L27-V90 HydrophobicContact CD1-CG2 4.11Å; L88-V90 HydrophobicContact CB-CG2 4.26Å; V90-V122 WeakPolarHBondContact CA-O 3.47Å; V90-V122 HydrophobicContact CG1-CB 4.49Å; V90-V122 HydrophobicContact CG1-CG1 4.45Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; V90-N124 HydrophobicContact CG1-CB 3.82Å
91Y98.6Very high96.3Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-126.5166.9167.974.9-82.5000111.1I93 Y99 V102 L121 V122 G123 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.88Å; Y91-Y99 HydrophobicContact CD1-CD2 4.31Å; Y91-Y99 HydrophobicContact CD2-CD2 4.11Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.3Å; Y91-Y99 HydrophobicContact CE2-CD2 4.1Å; Y91-Y99 HydrophobicContact CG-CD2 4.22Å; Y91-V102 HydrophobicContact CD1-CG2 4.31Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y91-L121 HydrophobicContact CD1-CD1 3.77Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.02Å; Y91-L121 HydrophobicContact CE1-CD2 4.18Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; Y91-V122 WeakPolarHBondContact CD1-O 3.36Å; Y91-V122 PolarHBondContact N-O 2.89Å; Y91-G123 VanDerWaalsContact CZ-CA 3.43Å; Y91-N124 PolarHBondContact O-N 3.47Å; Y91-V134 HydrophobicContact CD2-CG2 4.36Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; Y91-A139 HydrophobicContact CE1-CB 4.24Å; Y91-A139 WeakPolarHBondContact OH-CB 3.14Å; Y91-F150 HydrophobicContact CE1-CE2 4.23Å
92D98.2Very high96.6Very high3 Ų338 Ų382%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-100.1118.5176.9179.2-12.6000109.4V22 A94 K95 T98 K125V22-D92 HydrophobicContact CB-CB 4.4Å; V22-D92 HydrophobicContact CG1-CB 4.28Å; D92-A94 PolarHBondContact O-N 2.93Å; D92-A94 VanDerWaalsContact O-N 3.11Å; D92-A94 WeakPolarHBondContact OD1-CB 3.2Å; D92-A94 PolarHBondContact OD1-N 2.97Å; D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 PolarHBondContact O-N 3.38Å; D92-K95 WeakPolarHBondContact OD2-CD 3.3Å; D92-T98 HydrophobicContact CB-CG2 4.39Å; D92-T98 PolarHBondContact N-OG1 3.15Å; D92-T98 PolarHBondContact O-OG1 3.24Å; D92-K125 WeakPolarHBondContact OD2-CD 3.36Å; D92-K125 VanDerWaalsContact OD2-CE 3.31Å; D92-K125 WeakPolarHBondContact OD2-CE 3.33Å; D92-K125 IonicContact OD2-NZ 3.72Å; D92-K125 PolarHBondContact OD2-NZ 2.93Å
93I98.4Very high97Very high0 Ų034.6 Ų34.60%018%0.181CC..THydrogen-bonded Turntrans-63-21-177.367.4152.2000113.3Y91 N124 K125 A133 V134Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.88Å; I93-N124 PolarHBondContact N-O 3.44Å; I93-N124 VanDerWaalsContact N-O 3.08Å; I93-K125 WeakPolarHBondContact CD1-O 3.15Å; I93-K125 WeakPolarHBondContact CG1-O 3.24Å; I93-A133 PolarHBondContact O-N 2.95Å; I93-V134 PolarHBondContact O-N 3.48Å
94A98Very high97.1Very high24 Ų2439 Ų3920%0.19819%0.186CC..THydrogen-bonded Turntrans-90-2.7179.200000112.8D92 L128 L131D92-A94 PolarHBondContact O-N 2.93Å; D92-A94 VanDerWaalsContact O-N 3.11Å; D92-A94 WeakPolarHBondContact OD1-CB 3.2Å; D92-A94 PolarHBondContact OD1-N 2.97Å; A94-L128 HydrophobicContact CB-CB 4.31Å; A94-L128 HydrophobicContact CB-CD1 4.18Å; A94-L131 WeakPolarHBondContact CA-O 3.43Å; A94-L131 HydrophobicContact CB-CB 4.1Å; A94-L131 WeakPolarHBondContact CB-O 3.4Å
95K97.4Very high97.1Very high117 Ų11739 Ų3951%0.50919%0.187SC..  trans-133.397.4-177.8-64.3-175.6-179.3-177.30111.9D92 L97 T98D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 PolarHBondContact O-N 3.38Å; D92-K95 WeakPolarHBondContact OD2-CD 3.3Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.44Å; K95-T98 HydrophobicContact CB-CG2 3.89Å; K95-T98 HydrophobicContact CD-CG2 4.48Å; K95-T98 PolarHBondContact O-N 3.13Å; K95-T98 PolarHBondContact O-OG1 3.33Å
96H96.9Very high97.1Very high66 Ų6637 Ų3731%0.30617%0.174SC..Hα-helixtrans-53.2-41-177.7-163.5-89000114.1T98 Y99 E100 A133H96-T98 PolarHBondContact O-N 3.4Å; H96-T98 VanDerWaalsContact O-N 3.14Å; H96-Y99 WeakPolarHBondContact O-CA 3.26Å; H96-Y99 WeakPolarHBondContact O-CB 3.23Å; H96-Y99 PolarHBondContact O-N 2.93Å; H96-E100 IonicContact CE1-OE1 2.68Å; H96-E100 PolarHBondContact CE1-OE1 3.38Å; H96-E100 IonicContact ND1-OE1 3.15Å; H96-E100 PolarHBondContact ND1-OE1 3.29Å; H96-E100 PolarHBondContact O-N 3.14Å; H96-A133 HydrophobicContact CB-CB 4.21Å
97L96.7Very high96.9Very high107 Ų10743.6 Ų43.656%0.5620%0.203SC*.Hα-helixtrans-55.9-35.2178.6-177.463.9000113K95 Y99 E100 N101K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.44Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.41Å; L97-E100 PolarHBondContact O-N 2.99Å; L97-N101 PolarHBondContact O-N 3.33Å; L97-N101 VanDerWaalsContact O-N 3.14Å; L97-N101 PolarHBondContact O-ND2 2.87Å
98T97.4Very high96.6Very high11 Ų1144.9 Ų44.97%0.06721%0.209CC..Hα-helixtrans-70-27.2178.9700000112.2D19 V22 D92 K95 H96D19-T98 HydrophobicContact CB-CG2 4.12Å; V22-T98 HydrophobicContact CG1-CG2 3.85Å; D92-T98 HydrophobicContact CB-CG2 4.39Å; D92-T98 PolarHBondContact N-OG1 3.15Å; D92-T98 PolarHBondContact O-OG1 3.24Å; K95-T98 HydrophobicContact CB-CG2 3.89Å; K95-T98 HydrophobicContact CD-CG2 4.48Å; K95-T98 PolarHBondContact O-N 3.13Å; K95-T98 PolarHBondContact O-OG1 3.33Å; H96-T98 PolarHBondContact O-N 3.4Å; H96-T98 VanDerWaalsContact O-N 3.14Å
99Y98.1Very high96.4Very high23 Ų2344.8 Ų44.89%0.0921%0.208CC..Hα-helixtrans-77.8-42.2174172-103.8000111.6Y91 H96 L97 N101 V102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD1-CD2 4.31Å; Y91-Y99 HydrophobicContact CD2-CD2 4.11Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.3Å; Y91-Y99 HydrophobicContact CE2-CD2 4.1Å; Y91-Y99 HydrophobicContact CG-CD2 4.22Å; H96-Y99 WeakPolarHBondContact O-CA 3.26Å; H96-Y99 WeakPolarHBondContact O-CB 3.23Å; H96-Y99 PolarHBondContact O-N 2.93Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.41Å; Y99-N101 PolarHBondContact O-N 2.75Å; Y99-V102 HydrophobicContact CD2-CG2 4.34Å; Y99-V102 WeakPolarHBondContact O-CB 3.29Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.3Å; Y99-V102 PolarHBondContact O-N 2.72Å; Y99-V134 HydrophobicContact CD1-CG1 3.96Å; Y99-V134 HydrophobicContact CD1-CG2 4.39Å; Y99-V134 HydrophobicContact CD2-CG1 3.94Å; Y99-V134 HydrophobicContact CE1-CG1 4.32Å; Y99-V134 HydrophobicContact CE2-CG1 4.3Å; Y99-V134 HydrophobicContact CG-CG1 3.76Å; Y99-V134 HydrophobicContact CG-CG2 4.07Å; Y99-E138 HydrophobicContact CE1-CG 4.24Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.22Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.38Å; Y99-E138 PolarHBondContact OH-O 3.33Å; Y99-A139 HydrophobicContact CE2-CB 3.92Å; Y99-F142 WeakPolarHBondContact OH-CB 3.44Å
100E96.9Very high96.2Very high110 Ų11050.5 Ų50.551%0.51423%0.23SC..Hα-helixtrans-56.1-38.8173-70173.3-173.400111.9H96 L97 V102H96-E100 IonicContact CE1-OE1 2.68Å; H96-E100 PolarHBondContact CE1-OE1 3.38Å; H96-E100 IonicContact ND1-OE1 3.15Å; H96-E100 PolarHBondContact ND1-OE1 3.29Å; H96-E100 PolarHBondContact O-N 3.14Å; L97-E100 PolarHBondContact O-N 2.99Å; E100-V102 PolarHBondContact O-N 2.7Å
101N96.1Very high95.8Very high43 Ų4355.6 Ų55.623%0.2326%0.257CS..THydrogen-bonded Turntrans-70.8-12.7178.3-72.3-30.4000114.1D19 L97 Y99 E103 R104 W105D19-N101 PolarHBondContact OD2-ND2 2.71Å; L97-N101 PolarHBondContact O-N 3.33Å; L97-N101 VanDerWaalsContact O-N 3.14Å; L97-N101 PolarHBondContact O-ND2 2.87Å; Y99-N101 PolarHBondContact O-N 2.75Å; N101-E103 VanDerWaalsContact C-N 3.28Å; N101-E103 PolarHBondContact O-N 3.23Å; N101-R104 WeakPolarHBondContact O-CB 3.3Å; N101-R104 PolarHBondContact O-N 3.44Å; N101-W105 PolarHBondContact O-N 2.77Å; N101-W105 VanDerWaalsContact O-N 3.11Å
102V96.9Very high95.4Very high1 Ų160.2 Ų60.21%0.00628%0.278CS..Hα-helixtrans-56.9-41.9178.6168.50000111.2L89 Y91 Y99 E100 R104 W105 L106 L121 F142L89-V102 HydrophobicContact CD1-CG1 4.46Å; L89-V102 HydrophobicContact CD2-CG1 3.49Å; L89-V102 VanDerWaalsContact CD2-CG1 3.49Å; L89-V102 HydrophobicContact CG-CG1 3.93Å; Y91-V102 HydrophobicContact CD1-CG2 4.31Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y99-V102 HydrophobicContact CD2-CG2 4.34Å; Y99-V102 WeakPolarHBondContact O-CB 3.29Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.3Å; Y99-V102 PolarHBondContact O-N 2.72Å; E100-V102 PolarHBondContact O-N 2.7Å; V102-R104 VanDerWaalsContact C-N 3.28Å; V102-R104 PolarHBondContact O-N 3.09Å; V102-W105 PolarHBondContact O-N 2.84Å; V102-L106 WeakPolarHBondContact O-CB 3.12Å; V102-L106 PolarHBondContact O-N 2.97Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.12Å; V102-F142 HydrophobicContact CG1-CD1 4.32Å; V102-F142 HydrophobicContact CG1-CE1 3.52Å; V102-F142 HydrophobicContact CG1-CZ 3.81Å
103E96.2Very high95.1Very high136 Ų13660.8 Ų60.864%0.63628%0.284SS*.Hα-helixtrans-60.3-40.9-179.6-176.3170.1-160.600111.6N101 L106 K107 F142N101-E103 VanDerWaalsContact C-N 3.28Å; N101-E103 PolarHBondContact O-N 3.23Å; E103-L106 PolarHBondContact O-N 3.01Å; E103-K107 PolarHBondContact O-N 3.03Å; E103-F142 HydrophobicContact CB-CE2 4.34Å; E103-F142 HydrophobicContact CB-CZ 4.44Å
104R94.1Very high94.6Very high128 Ų12865.1 Ų65.148%0.48331%0.307SS..Hα-helixtrans-64.4-46.9175.9-179-173.9-178.6160.810.3111.7N101 V102 L106 K107 E108N101-R104 WeakPolarHBondContact O-CB 3.3Å; N101-R104 PolarHBondContact O-N 3.44Å; V102-R104 VanDerWaalsContact C-N 3.28Å; V102-R104 PolarHBondContact O-N 3.09Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-K107 PolarHBondContact O-N 2.85Å; R104-E108 WeakPolarHBondContact O-CB 3.34Å; R104-E108 PolarHBondContact O-N 3.04Å
105W94.4Very high94Very high2 Ų269.6 Ų69.61%0.00834%0.337CS..Hα-helixtrans-63.5-39.7178.7-74.8114.4000112.1I17 D19 R74 L89 N101 V102 E108 L109I17-W105 HydrophobicContact CD1-CB 4.39Å; D19-W105 PolarHBondContact OD1-NE1 3.13Å; R74-W105 HydrophobicContact CG-CH2 4.47Å; L89-W105 HydrophobicContact CD1-CB 3.49Å; L89-W105 VanDerWaalsContact CD1-CB 3.49Å; L89-W105 HydrophobicContact CD1-CG 4.25Å; N101-W105 PolarHBondContact O-N 2.77Å; N101-W105 VanDerWaalsContact O-N 3.11Å; V102-W105 PolarHBondContact O-N 2.84Å; W105-E108 PolarHBondContact O-N 3.3Å; W105-L109 WeakPolarHBondContact O-CB 3.38Å; W105-L109 PolarHBondContact O-N 2.6Å
106L95.5Very high93.6Very high5 Ų569 Ų693%0.02634%0.339CS..Hα-helixtrans-61.5-45.2176179.861.2000111.4L89 V102 E103 R104 L109 R110 I119 F142 N146 L148L89-L106 HydrophobicContact CD2-CB 3.88Å; L89-L106 HydrophobicContact CD2-CD1 4.31Å; V102-L106 WeakPolarHBondContact O-CB 3.12Å; V102-L106 PolarHBondContact O-N 2.97Å; E103-L106 PolarHBondContact O-N 3.01Å; R104-L106 VanDerWaalsContact C-N 3.33Å; L106-L109 PolarHBondContact O-N 3.03Å; L106-R110 HydrophobicContact CD1-CG 4.47Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.47Å; L106-I119 HydrophobicContact CD1-CD1 3.78Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L106-F142 HydrophobicContact CD2-CE1 4.28Å; L106-F142 HydrophobicContact CD2-CZ 4.09Å; L106-N146 HydrophobicContact CD2-CB 3.97Å; L106-L148 HydrophobicContact CD1-CD1 4.3Å; L106-L148 HydrophobicContact CD1-CD2 3.95Å; L106-L148 HydrophobicContact CD2-CD1 4.13Å
107K94.1Very high93.5Very high138 Ų13866.7 Ų66.760%0.633%0.329SS*.Hα-helixtrans-61-49.9175.6-176.5178.9177.9-179.10111.2E103 R104 L109 R110 D111E103-K107 PolarHBondContact O-N 3.03Å; R104-K107 PolarHBondContact O-N 2.85Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.84Å; K107-R110 PolarHBondContact O-N 2.91Å; K107-R110 VanDerWaalsContact O-N 3.15Å; K107-D111 WeakPolarHBondContact O-CB 3.44Å; K107-D111 PolarHBondContact O-N 2.95Å
108E91.3Very high93.5Very high26 Ų2662 Ų6212%0.12131%0.305CS..Hα-helixtrans-57.7-42179.9-167.4-172120.700112.1R74 Y81 R104 W105 D111 H112R74-E108 IonicContact NE-OE2 3.77Å; R74-E108 PolarHBondContact NE-OE2 3.24Å; Y81-E108 HydrophobicContact CE2-CG 4.1Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.38Å; Y81-E108 PolarHBondContact OH-OE1 2.83Å; R104-E108 WeakPolarHBondContact O-CB 3.34Å; R104-E108 PolarHBondContact O-N 3.04Å; W105-E108 PolarHBondContact O-N 3.3Å; E108-D111 PolarHBondContact O-N 3.47Å; E108-H112 PolarHBondContact O-ND1 2.93Å
109L92.8Very high93.5Very high0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-62.6-49.5175.5-179.868.2000111.4V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119V15-L109 HydrophobicContact CG2-CD1 4.17Å; I17-L109 HydrophobicContact CD1-CB 3.82Å; I17-L109 HydrophobicContact CD1-CD1 4.27Å; I17-L109 HydrophobicContact CD1-CD2 3.77Å; I17-L109 HydrophobicContact CD1-CG 4.16Å; Y81-L109 HydrophobicContact CD1-CD1 4.08Å; Y81-L109 HydrophobicContact CG-CD1 4.08Å; A87-L109 HydrophobicContact CB-CD1 4.22Å; A87-L109 HydrophobicContact CB-CD2 3.41Å; A87-L109 VanDerWaalsContact CB-CD2 3.41Å; A87-L109 HydrophobicContact CB-CG 4.46Å; W105-L109 WeakPolarHBondContact O-CB 3.38Å; W105-L109 PolarHBondContact O-N 2.6Å; L106-L109 PolarHBondContact O-N 3.03Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.84Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.39Å; L109-H112 PolarHBondContact O-N 3.37Å; L109-A113 HydrophobicContact CD1-CB 4.01Å; L109-A113 HydrophobicContact CG-CB 4.33Å; L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.36Å; L109-I117 HydrophobicContact CD1-CD1 3.94Å; L109-I117 HydrophobicContact CD2-CD1 4.25Å; L109-I117 HydrophobicContact CG-CD1 4.3Å; L109-I119 HydrophobicContact CD2-CD1 3.75Å; L109-I119 HydrophobicContact CD2-CG1 3.92Å; L109-I119 HydrophobicContact CD2-CG2 4.35Å
110R93.4Very high93.5Very high120 Ų12061.2 Ų61.245%0.45330%0.301SS..Hα-helixtrans-64.4-30.1-179.4-76.1178.5170.2166-1113.2L106 K107 H112 I119 N146L106-R110 HydrophobicContact CD1-CG 4.47Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.47Å; K107-R110 PolarHBondContact O-N 2.91Å; K107-R110 VanDerWaalsContact O-N 3.15Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.83Å; R110-I119 HydrophobicContact CG-CD1 4.46Å; R110-N146 PolarHBondContact NH2-O 2.9Å
111D91.4Very high93.6Very high107 Ų10756 Ų5657%0.57228%0.277SS*.Hα-helixtrans-72-20.1178.9-70.8-15.4000112.9K107 E108 L109K107-D111 WeakPolarHBondContact O-CB 3.44Å; K107-D111 PolarHBondContact O-N 2.95Å; E108-D111 PolarHBondContact O-N 3.47Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.39Å
112H89.3Confident93.8Very high97 Ų9754 Ų5445%0.44927%0.266SS..Hα-helixtrans-127.7-18.6-170.7-6489.9000115.1Y81 E108 L109 R110Y81-H112 HydrophobicContact CD2-CB 3.83Å; E108-H112 PolarHBondContact O-ND1 2.93Å; L109-H112 PolarHBondContact O-N 3.37Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.83Å
113A91.2Very high93.8Very high16 Ų1653.9 Ų53.913%0.13227%0.266CS..SBendtrans-90.2169.5176.300000111.7L109 I117L109-A113 HydrophobicContact CD1-CB 4.01Å; L109-A113 HydrophobicContact CG-CB 4.33Å; L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.36Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.17Å
114D88.8Confident94Very high91 Ų9147.6 Ų47.649%0.48724%0.236SC..  trans-65.7143.8173.1-68.6-61.1000110.9N116 I117D114-N116 PolarHBondContact O-N 2.77Å; D114-I117 WeakPolarHBondContact O-CB 3.43Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.82Å
115S85.9Confident94.1Very high118 Ų11843.5 Ų43.583%0.82522%0.222SC*.THydrogen-bonded Turntrans-61.1-18.8-176.856.90000114.5
116N88.3Confident94.3Very high103 Ų10344.5 Ų44.555%0.55123%0.229SC*.THydrogen-bonded Turntrans-9712.5179.7-64.4-57.6000113.4D114 V118 K179D114-N116 PolarHBondContact O-N 2.77Å; N116-V118 PolarHBondContact O-N 3.03Å; N116-K179 VanDerWaalsContact CG-NZ 3.33Å; N116-K179 PolarHBondContact ND2-NZ 3.49Å; N116-K179 VanDerWaalsContact ND2-NZ 3.16Å
117I94.8Very high94.4Very high19 Ų1946.1 Ų46.110%0.09724%0.238CC..  trans-61.8129.5178.7-171.3167.1000110.7A84 A87 L109 A113 D114 I119A84-I117 HydrophobicContact CB-CD1 4.02Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; L109-I117 HydrophobicContact CD1-CD1 3.94Å; L109-I117 HydrophobicContact CD2-CD1 4.25Å; L109-I117 HydrophobicContact CG-CD1 4.3Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.17Å; D114-I117 WeakPolarHBondContact O-CB 3.43Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.82Å; I117-I119 HydrophobicContact CG1-CG1 4.41Å; I117-I119 HydrophobicContact CG2-CD1 3.97Å; I117-I119 HydrophobicContact CG2-CG1 3.96Å
118V96.8Very high94.5Very high9 Ų942.3 Ų42.36%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-80.7128.4173-177.80000108.7V85 G86 A87 N116 I168 E171 I172 I175V85-V118 PolarHBondContact O-N 2.62Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.23Å; G86-V118 WeakPolarHBondContact CA-O 3.44Å; A87-V118 PolarHBondContact N-O 3.4Å; N116-V118 PolarHBondContact O-N 3.03Å; V118-I168 HydrophobicContact CB-CG1 4.44Å; V118-I168 HydrophobicContact CG1-CG1 3.93Å; V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.77Å; V118-E171 HydrophobicContact CG2-CG 4.47Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.39Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.64Å; V118-I175 HydrophobicContact CG2-CD1 3.46Å; V118-I175 VanDerWaalsContact CG2-CD1 3.46Å
119I98Very high94.6Very high13 Ų1349 Ų497%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-124.4130.7-174.9-51.6170.6000109.5A87 L89 L106 L109 R110 I117 L148 S149A87-I119 WeakPolarHBondContact O-CA 3.23Å; L89-I119 HydrophobicContact CB-CG2 4.41Å; L106-I119 HydrophobicContact CD1-CD1 3.78Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L109-I119 HydrophobicContact CD2-CD1 3.75Å; L109-I119 HydrophobicContact CD2-CG1 3.92Å; L109-I119 HydrophobicContact CD2-CG2 4.35Å; R110-I119 HydrophobicContact CG-CD1 4.46Å; I117-I119 HydrophobicContact CG1-CG1 4.41Å; I117-I119 HydrophobicContact CG2-CD1 3.97Å; I117-I119 HydrophobicContact CG2-CG1 3.96Å; I119-L148 HydrophobicContact CB-CD2 3.8Å; I119-L148 HydrophobicContact CD1-CD2 4.25Å; I119-L148 HydrophobicContact CG2-CD2 3.88Å; I119-S149 PolarHBondContact O-N 3.42Å; I119-S149 VanDerWaalsContact O-N 3.13Å
120M98.6Very high94.8Very high3 Ų356.5 Ų56.52%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-117.9127.7170.6177.8-176.4-69.700110.5A87 L88 L89 V122 S149 L151 A164 T167 I168A87-M120 PolarHBondContact O-N 3.44Å; L88-M120 HydrophobicContact CD2-CB 3.75Å; L88-M120 HydrophobicContact CD2-CG 4.19Å; L88-M120 HydrophobicContact CD2-SD 3.95Å; L89-M120 PolarHBondContact N-O 2.97Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.11Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 VanDerWaalsContact CA-O 3.28Å; M120-S149 WeakPolarHBondContact CA-O 3.42Å; M120-L151 HydrophobicContact SD-CB 4.23Å; M120-A164 HydrophobicContact SD-CB 4.04Å; M120-T167 HydrophobicContact CE-CG2 3.67Å; M120-I168 HydrophobicContact CB-CD1 4.16Å; M120-I168 HydrophobicContact CE-CB 4.28Å
121L98.7Very high94.9Very high0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-77.6128.9166.6-178.368.1000109.6L89 Y91 V102 A139 F142 A143 L148 S149 F150 L151L89-L121 HydrophobicContact CD2-CD1 4.41Å; L89-L121 HydrophobicContact CG-CD1 4.11Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.37Å; Y91-L121 HydrophobicContact CD1-CD1 3.77Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.02Å; Y91-L121 HydrophobicContact CE1-CD2 4.18Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.12Å; L121-A139 HydrophobicContact CD2-CB 4.27Å; L121-A139 WeakPolarHBondContact CD2-O 3.19Å; L121-F142 HydrophobicContact CD2-CD1 3.99Å; L121-A143 HydrophobicContact CB-CB 4.34Å; L121-A143 HydrophobicContact CD2-CB 4.16Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; L121-S149 PolarHBondContact N-O 3.41Å; L121-F150 HydrophobicContact CB-CD2 4.03Å; L121-F150 HydrophobicContact CD2-CD2 3.83Å; L121-F150 HydrophobicContact CD2-CE2 4.15Å; L121-F150 HydrophobicContact CG-CD2 3.91Å; L121-F150 HydrophobicContact CG-CE2 4.31Å; L121-F150 WeakPolarHBondContact O-CA 3.43Å; L121-F150 WeakPolarHBondContact O-CD2 3.5Å; L121-L151 PolarHBondContact O-N 3.22Å; L121-L151 VanDerWaalsContact O-N 3.09Å
122V98.8Very high95.2Very high1 Ų155 Ų551%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-122.7112.7-177.8-1790000110.4L27 L88 L89 V90 Y91 M120 N124 L151 T153L27-V122 HydrophobicContact CD1-CG1 4.24Å; L88-V122 HydrophobicContact CB-CG2 4.22Å; L88-V122 HydrophobicContact CD2-CG2 3.96Å; L88-V122 HydrophobicContact CG-CG2 4.47Å; L89-V122 PolarHBondContact O-N 3.02Å; V90-V122 WeakPolarHBondContact CA-O 3.47Å; V90-V122 HydrophobicContact CG1-CB 4.49Å; V90-V122 HydrophobicContact CG1-CG1 4.45Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; Y91-V122 WeakPolarHBondContact CD1-O 3.36Å; Y91-V122 PolarHBondContact N-O 2.89Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.11Å; V122-N124 PolarHBondContact O-N 3.44Å; V122-L151 VanDerWaalsContact CA-O 3.3Å; V122-L151 WeakPolarHBondContact CA-O 3.21Å; V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.22Å
123G98.6Very high95.6Very high0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-85.696.4169.800000110.6Y91 L151 E152 T153Y91-G123 VanDerWaalsContact CZ-CA 3.43Å; G123-L151 PolarHBondContact N-O 3.15Å; G123-E152 CarbonylContact O-C 3.37Å; G123-E152 WeakPolarHBondContact O-CA 3.46Å; G123-T153 PolarHBondContact O-N 2.9Å
124N98.6Very high96Very high3 Ų351.7 Ų51.72%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-86.2164.1-177.4-169.830.1000112.1V22 L27 V90 Y91 I93 V122 T153 A155V22-N124 PolarHBondContact O-ND2 3.46Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; V90-N124 HydrophobicContact CG1-CB 3.82Å; Y91-N124 PolarHBondContact O-N 3.47Å; I93-N124 PolarHBondContact N-O 3.44Å; I93-N124 VanDerWaalsContact N-O 3.08Å; V122-N124 PolarHBondContact O-N 3.44Å; N124-T153 CarbonylContact C-O 3.45Å; N124-T153 WeakPolarHBondContact CA-O 3.26Å; N124-T153 PolarHBondContact OD1-O 3.28Å; N124-T153 PolarHBondContact OD1-OG1 2.82Å; N124-A155 PolarHBondContact OD1-N 2.91Å
125K98Very high96.4Very high43 Ų4350.5 Ų50.519%0.18726%0.264CS..  trans69.637.4-178.2-44.6-171.7-165.2170.20113.8G21 V22 D92 I93 D127 L128 T153G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.36Å; V22-K125 WeakPolarHBondContact O-CE 3.5Å; D92-K125 WeakPolarHBondContact OD2-CD 3.36Å; D92-K125 VanDerWaalsContact OD2-CE 3.31Å; D92-K125 WeakPolarHBondContact OD2-CE 3.33Å; D92-K125 IonicContact OD2-NZ 3.72Å; D92-K125 PolarHBondContact OD2-NZ 2.93Å; I93-K125 WeakPolarHBondContact CD1-O 3.15Å; I93-K125 WeakPolarHBondContact CG1-O 3.24Å; K125-D127 VanDerWaalsContact CA-OD1 3.29Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 3.22Å; K125-D127 VanDerWaalsContact O-N 3.13Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.21Å; K125-L128 HydrophobicContact CD-CD1 4.05Å; K125-L128 WeakPolarHBondContact O-CB 3.07Å; K125-L128 PolarHBondContact O-N 3.5Å; K125-T153 PolarHBondContact N-O 3.36Å
126S98Very high96.9Very high22 Ų2246.5 Ų46.515%0.15423%0.234CC..G310 helixtrans-57.6-20.8174.654.40000114.3L128 R129 T153 S154S126-L128 PolarHBondContact O-N 3.47Å; S126-R129 PolarHBondContact O-N 3.01Å; S126-T153 WeakPolarHBondContact CB-O 3.12Å; S126-T153 PolarHBondContact N-O 3.11Å; S126-T153 PolarHBondContact OG-O 3.2Å; S126-S154 WeakPolarHBondContact OG-CB 3.37Å; S126-S154 PolarHBondContact OG-N 3.4Å
127D97.5Very high97.4Very high39 Ų3947 Ų4721%0.20924%0.237CC..G310 helixtrans-58.5-29.2168.656-76.9000112.8K125 R129 S154 L156K125-D127 VanDerWaalsContact CA-OD1 3.29Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 3.22Å; K125-D127 VanDerWaalsContact O-N 3.13Å; D127-R129 PolarHBondContact O-N 2.79Å; D127-R129 VanDerWaalsContact O-N 3.14Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.43Å; D127-S154 PolarHBondContact OD1-OG 3.06Å; D127-L156 HydrophobicContact CB-CD2 4.33Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.36Å
128L95.6Very high97.5Very high58 Ų5849.9 Ų49.930%0.30425%0.25SC..G310 helixtrans-84.632.5176.6-56.7-178.2000113.2A94 K125 S126 H130 L131 R132A94-L128 HydrophobicContact CB-CB 4.31Å; A94-L128 HydrophobicContact CB-CD1 4.18Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.21Å; K125-L128 HydrophobicContact CD-CD1 4.05Å; K125-L128 WeakPolarHBondContact O-CB 3.07Å; K125-L128 PolarHBondContact O-N 3.5Å; S126-L128 PolarHBondContact O-N 3.47Å; L128-H130 PolarHBondContact O-N 3.14Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.58Å; L128-L131 WeakPolarHBondContact O-CA 3.16Å; L128-L131 PolarHBondContact O-N 3.29Å; L128-R132 PolarHBondContact O-N 2.83Å
129R94.1Very high97.5Very high167 Ų16749.4 Ų49.463%0.6325%0.247SC*.G310 helixtrans-49-32.3-179.863.4-177.2176.7-117.7-0.7114.8S126 D127 L131 R132S126-R129 PolarHBondContact O-N 3.01Å; D127-R129 PolarHBondContact O-N 2.79Å; D127-R129 VanDerWaalsContact O-N 3.14Å; R129-L131 VanDerWaalsContact C-N 3.28Å; R129-L131 PolarHBondContact O-N 2.84Å; R129-R132 WeakPolarHBondContact O-CB 3.4Å; R129-R132 PolarHBondContact O-N 3.27Å
130H95.7Very high97.6Very high158 Ų15853.5 Ų53.573%0.73126%0.262SS*.G310 helixtrans-74.9-17.5179.6-62-65.6000113.5L128L128-H130 PolarHBondContact O-N 3.14Å
131L96.8Very high97.5Very high117 Ų11755.9 Ų55.961%0.61328%0.282SS*.G310 helixtrans-108.113.4176.9-59.3177.2000111.7A94 L128 R129 A133A94-L131 WeakPolarHBondContact CA-O 3.43Å; A94-L131 HydrophobicContact CB-CB 4.1Å; A94-L131 WeakPolarHBondContact CB-O 3.4Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.58Å; L128-L131 WeakPolarHBondContact O-CA 3.16Å; L128-L131 PolarHBondContact O-N 3.29Å; R129-L131 VanDerWaalsContact C-N 3.28Å; R129-L131 PolarHBondContact O-N 2.84Å; L131-A133 PolarHBondContact O-N 3.01Å; L131-A133 VanDerWaalsContact O-N 3.14Å
132R98.1Very high97.5Very high79 Ų7957.4 Ų57.430%0.29829%0.289SS..  trans-57.3120.1-177178.6179.6-71.2-88.57.2110.2L128 R129 V134 T136 E152L128-R132 PolarHBondContact O-N 2.83Å; R129-R132 WeakPolarHBondContact O-CB 3.4Å; R129-R132 PolarHBondContact O-N 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.43Å; R132-V134 WeakPolarHBondContact CG-O 3.45Å; R132-V134 PolarHBondContact NH1-O 3.46Å; R132-T136 VanDerWaalsContact CZ-OG1 3.31Å; R132-T136 PolarHBondContact NH1-OG1 3.4Å; R132-T136 PolarHBondContact NH2-OG1 2.87Å; R132-E152 IonicContact CZ-OE1 3.49Å; R132-E152 IonicContact CZ-OE2 3.75Å; R132-E152 IonicContact NH1-OE1 3.28Å; R132-E152 PolarHBondContact NH1-OE1 2.87Å; R132-E152 IonicContact NH1-OE2 2.8Å; R132-E152 VanDerWaalsContact NH2-CD 3.35Å; R132-E152 IonicContact NH2-OE1 3.4Å; R132-E152 PolarHBondContact NH2-OE1 2.72Å; R132-E152 IonicContact NH2-OE2 2.99Å; R132-E152 PolarHBondContact NH2-OE2 2.84Å
133A97.8Very high97.5Very high43 Ų4357.4 Ų57.436%0.35529%0.289SS..  trans-102.5-21.5173.800000112I93 H96 L131I93-A133 PolarHBondContact O-N 2.95Å; H96-A133 HydrophobicContact CB-CB 4.21Å; L131-A133 PolarHBondContact O-N 3.01Å; L131-A133 VanDerWaalsContact O-N 3.14Å
134V97.8Very high97.5Very high0 Ų063.9 Ų63.90%032%0.319CS..SBendtrans-112.9112.6-179.7-173.80000109.7Y91 I93 Y99 R132 A139Y91-V134 HydrophobicContact CD2-CG2 4.36Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; I93-V134 PolarHBondContact O-N 3.48Å; Y99-V134 HydrophobicContact CD1-CG1 3.96Å; Y99-V134 HydrophobicContact CD1-CG2 4.39Å; Y99-V134 HydrophobicContact CD2-CG1 3.94Å; Y99-V134 HydrophobicContact CE1-CG1 4.32Å; Y99-V134 HydrophobicContact CE2-CG1 4.3Å; Y99-V134 HydrophobicContact CG-CG1 3.76Å; Y99-V134 HydrophobicContact CG-CG2 4.07Å; R132-V134 WeakPolarHBondContact CD-O 3.43Å; R132-V134 WeakPolarHBondContact CG-O 3.45Å; R132-V134 PolarHBondContact NH1-O 3.46Å; V134-A139 HydrophobicContact CG1-CB 4.37Å
135P97.8Very high97.4Very high65 Ų6572.4 Ų72.442%0.42236%0.356SS..  trans-58.6136.9172.4-22.833.4000111.9D137 E138 A139P135-D137 VanDerWaalsContact C-N 3.27Å; P135-D137 PolarHBondContact O-N 2.84Å; P135-E138 HydrophobicContact CB-CB 4.17Å; P135-E138 WeakPolarHBondContact CD-OE2 3.22Å; P135-E138 WeakPolarHBondContact O-CB 3.18Å; P135-E138 PolarHBondContact O-N 2.91Å; P135-A139 PolarHBondContact O-N 3.31Å
136T97.6Very high97.4Very high34 Ų3472.3 Ų72.321%0.20936%0.357CS..Hα-helixtrans-60.4-38.3179.6-55.10000112.1R132 E138 A139 R140 F150 E152R132-T136 VanDerWaalsContact CZ-OG1 3.31Å; R132-T136 PolarHBondContact NH1-OG1 3.4Å; R132-T136 PolarHBondContact NH2-OG1 2.87Å; T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact O-N 3.04Å; T136-A139 PolarHBondContact O-N 2.89Å; T136-R140 WeakPolarHBondContact O-CB 3.34Å; T136-R140 PolarHBondContact O-N 3.13Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.22Å; T136-E152 WeakPolarHBondContact CB-OE1 3.33Å; T136-E152 HydrophobicContact CG2-CG 4.44Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.42Å; T136-E152 PolarHBondContact OG1-OE1 3Å
137D97.6Very high97.3Very high114 Ų11474.5 Ų74.561%0.6138%0.384SS*.Hα-helixtrans-67.7-32.8-178.4-62.8-24.9000112.1P135 R140 A141P135-D137 VanDerWaalsContact C-N 3.27Å; P135-D137 PolarHBondContact O-N 2.84Å; D137-R140 IonicContact OD1-CZ 3.79Å; D137-R140 IonicContact OD1-NH1 2.69Å; D137-R140 PolarHBondContact OD1-NH1 2.92Å; D137-A141 WeakPolarHBondContact O-CB 3.38Å; D137-A141 PolarHBondContact O-N 2.91Å
138E97.3Very high97.3Very high79 Ų7973.3 Ų73.337%0.36938%0.377SS..Hα-helixtrans-65.5-49.6175.6-172.8-175.2161.600111.1Y99 P135 T136 R140 A141 F142Y99-E138 HydrophobicContact CE1-CG 4.24Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.22Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.38Å; Y99-E138 PolarHBondContact OH-O 3.33Å; P135-E138 HydrophobicContact CB-CB 4.17Å; P135-E138 WeakPolarHBondContact CD-OE2 3.22Å; P135-E138 WeakPolarHBondContact O-CB 3.18Å; P135-E138 PolarHBondContact O-N 2.91Å; T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact O-N 3.04Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.48Å; E138-A141 PolarHBondContact O-N 2.55Å; E138-F142 PolarHBondContact O-N 3.29Å
139A97.8Very high97.3Very high0 Ų072.2 Ų72.20%037%0.374CS..Hα-helixtrans-65.1-36.5177.800000112.4Y91 Y99 L121 V134 P135 T136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.24Å; Y91-A139 WeakPolarHBondContact OH-CB 3.14Å; Y99-A139 HydrophobicContact CE2-CB 3.92Å; L121-A139 HydrophobicContact CD2-CB 4.27Å; L121-A139 WeakPolarHBondContact CD2-O 3.19Å; V134-A139 HydrophobicContact CG1-CB 4.37Å; P135-A139 PolarHBondContact O-N 3.31Å; T136-A139 PolarHBondContact O-N 2.89Å; A139-F142 PolarHBondContact O-N 3.12Å; A139-A143 PolarHBondContact O-N 2.78Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.77Å
140R98.3Very high97.6Very high99 Ų9966.2 Ų66.237%0.37435%0.353SS..Hα-helixtrans-62.9-47.4173.7-171.2-177.3-59.3111.92.9111.3T136 D137 E138 F142 A143 E144 F150T136-R140 WeakPolarHBondContact O-CB 3.34Å; T136-R140 PolarHBondContact O-N 3.13Å; D137-R140 IonicContact OD1-CZ 3.79Å; D137-R140 IonicContact OD1-NH1 2.69Å; D137-R140 PolarHBondContact OD1-NH1 2.92Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.48Å; R140-F142 VanDerWaalsContact C-N 3.29Å; R140-F142 PolarHBondContact O-N 2.99Å; R140-A143 WeakPolarHBondContact O-CB 3.24Å; R140-A143 PolarHBondContact O-N 3.28Å; R140-A143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.14Å; R140-E144 PolarHBondContact O-N 3.16Å; R140-F150 HydrophobicContact CB-CD1 3.92Å; R140-F150 HydrophobicContact CB-CE1 4.09Å; R140-F150 HydrophobicContact CG-CD1 4.19Å
141A98.3Very high97.7Very high53 Ų5360.6 Ų60.644%0.43833%0.328SS..Hα-helixtrans-61.3-38.4177.500000112D137 E138 K145D137-A141 WeakPolarHBondContact O-CB 3.38Å; D137-A141 PolarHBondContact O-N 2.91Å; E138-A141 PolarHBondContact O-N 2.55Å; A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.84Å
142F98.3Very high97.8Very high32 Ų3256.4 Ų56.414%0.1431%0.305CS..Hα-helixtrans-62.2-44.9173.2177.1-84.3000112.2Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148Y99-F142 WeakPolarHBondContact OH-CB 3.44Å; V102-F142 HydrophobicContact CG1-CD1 4.32Å; V102-F142 HydrophobicContact CG1-CE1 3.52Å; V102-F142 HydrophobicContact CG1-CZ 3.81Å; E103-F142 HydrophobicContact CB-CE2 4.34Å; E103-F142 HydrophobicContact CB-CZ 4.44Å; L106-F142 HydrophobicContact CD2-CE1 4.28Å; L106-F142 HydrophobicContact CD2-CZ 4.09Å; L121-F142 HydrophobicContact CD2-CD1 3.99Å; E138-F142 PolarHBondContact O-N 3.29Å; A139-F142 PolarHBondContact O-N 3.12Å; R140-F142 VanDerWaalsContact C-N 3.29Å; R140-F142 PolarHBondContact O-N 2.99Å; F142-K145 PolarHBondContact O-N 2.9Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.13Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.36Å; F142-N146 WeakPolarHBondContact O-CB 3.33Å; F142-N146 PolarHBondContact O-N 3.44Å; F142-N146 VanDerWaalsContact O-N 3.13Å; F142-N146 PolarHBondContact O-ND2 2.83Å; F142-L148 HydrophobicContact CD1-CD1 4.46Å; F142-L148 HydrophobicContact CE1-CD1 4.02Å
143A98.1Very high97.8Very high1 Ų152.7 Ų52.71%0.00829%0.291CS..Hα-helixtrans-62.4-48.1178.800000111.4L121 A139 R140 K145 N146 G147 L148 F150L121-A143 HydrophobicContact CB-CB 4.34Å; L121-A143 HydrophobicContact CD2-CB 4.16Å; A139-A143 PolarHBondContact O-N 2.78Å; R140-A143 WeakPolarHBondContact O-CB 3.24Å; R140-A143 PolarHBondContact O-N 3.28Å; R140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 3.26Å; A143-N146 CarbonylContact O-C 3.49Å; A143-N146 PolarHBondContact O-N 2.79Å; A143-N146 VanDerWaalsContact O-N 3.15Å; A143-G147 PolarHBondContact O-N 3.32Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.9Å; A143-F150 HydrophobicContact CB-CB 3.69Å; A143-F150 HydrophobicContact CB-CG 4.36Å
144E97.7Very high97.8Very high136 Ų13650.6 Ų50.664%0.63627%0.274SS*.Hα-helixtrans-58.7-48.5176.8-72.1173.7-172.700111.8R140 N146 G147R140-E144 WeakPolarHBondContact O-CG 3.14Å; R140-E144 PolarHBondContact O-N 3.16Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-G147 PolarHBondContact O-N 3.38Å; E144-G147 VanDerWaalsContact O-N 3.12Å
145K97.8Very high97.8Very high182 Ų18250.8 Ų50.879%0.79128%0.276SS*.Hα-helixtrans-57-33.5177.6-179.5-177.1175.7-171.80112.6A141 F142 A143A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.84Å; F142-K145 PolarHBondContact O-N 2.9Å; A143-K145 PolarHBondContact O-N 3.26Å
146N96.9Very high97.7Very high40 Ų4051.5 Ų51.521%0.21428%0.275CS..Hα-helixtrans-98.31.5-177.2-74.8-77.6000113.7L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.97Å; R110-N146 PolarHBondContact NH2-O 2.9Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.13Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.36Å; F142-N146 WeakPolarHBondContact O-CB 3.33Å; F142-N146 PolarHBondContact O-N 3.44Å; F142-N146 VanDerWaalsContact O-N 3.13Å; F142-N146 PolarHBondContact O-ND2 2.83Å; A143-N146 CarbonylContact O-C 3.49Å; A143-N146 PolarHBondContact O-N 2.79Å; A143-N146 VanDerWaalsContact O-N 3.15Å; E144-N146 PolarHBondContact O-N 3.28Å; N146-L148 HydrophobicContact CB-CD1 3.97Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.75Å
147G95.9Very high97.6Very high69 Ų6953.9 Ų53.971%0.71129%0.287SS*.THydrogen-bonded Turntrans65.540.2-177.100000113.3A143 E144A143-G147 PolarHBondContact O-N 3.32Å; E144-G147 PolarHBondContact O-N 3.38Å; E144-G147 VanDerWaalsContact O-N 3.12Å
148L97.4Very high97.5Very high14 Ų1450.6 Ų50.67%0.07327%0.273CS..  trans-108.3145.7178.5-39.5177.1000109.9L106 I119 L121 F142 A143 N146L106-L148 HydrophobicContact CD1-CD1 4.3Å; L106-L148 HydrophobicContact CD1-CD2 3.95Å; L106-L148 HydrophobicContact CD2-CD1 4.13Å; I119-L148 HydrophobicContact CB-CD2 3.8Å; I119-L148 HydrophobicContact CD1-CD2 4.25Å; I119-L148 HydrophobicContact CG2-CD2 3.88Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; F142-L148 HydrophobicContact CD1-CD1 4.46Å; F142-L148 HydrophobicContact CE1-CD1 4.02Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.9Å; N146-L148 HydrophobicContact CB-CD1 3.97Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.75Å
149S97.4Very high97.5Very high34 Ų3449.5 Ų49.524%0.23827%0.272CS..EExtended strand (participates in β ladder)trans-68.7152.5162.9-74.30000109.8I119 M120 L121 E171I119-S149 PolarHBondContact O-N 3.42Å; I119-S149 VanDerWaalsContact O-N 3.13Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 VanDerWaalsContact CA-O 3.28Å; M120-S149 WeakPolarHBondContact CA-O 3.42Å; L121-S149 PolarHBondContact N-O 3.41Å; S149-E171 PolarHBondContact OG-OE2 2.83Å
150F98.4Very high97.5Very high42 Ų4252.6 Ų52.618%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-135.6135.9-179.4175.3-114.6000112.6Y91 L121 T136 A139 R140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.23Å; L121-F150 HydrophobicContact CB-CD2 4.03Å; L121-F150 HydrophobicContact CD2-CD2 3.83Å; L121-F150 HydrophobicContact CD2-CE2 4.15Å; L121-F150 HydrophobicContact CG-CD2 3.91Å; L121-F150 HydrophobicContact CG-CE2 4.31Å; L121-F150 WeakPolarHBondContact O-CA 3.43Å; L121-F150 WeakPolarHBondContact O-CD2 3.5Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.22Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.77Å; R140-F150 HydrophobicContact CB-CD1 3.92Å; R140-F150 HydrophobicContact CB-CE1 4.09Å; R140-F150 HydrophobicContact CG-CD1 4.19Å; A143-F150 HydrophobicContact CB-CB 3.69Å; A143-F150 HydrophobicContact CB-CG 4.36Å; F150-E152 HydrophobicContact CE1-CG 4.28Å; F150-E152 HydrophobicContact CE2-CG 4.4Å; F150-E152 HydrophobicContact CZ-CG 3.69Å
151L98.2Very high97.5Very high39 Ų3948 Ų4820%0.20427%0.271CS..EExtended strand (participates in β ladder)trans-149.3142.5172.2-159.564.6000111.4M120 L121 V122 G123 T153 N160 T163 A164M120-L151 HydrophobicContact SD-CB 4.23Å; L121-L151 PolarHBondContact O-N 3.22Å; L121-L151 VanDerWaalsContact O-N 3.09Å; V122-L151 VanDerWaalsContact CA-O 3.3Å; V122-L151 WeakPolarHBondContact CA-O 3.21Å; G123-L151 PolarHBondContact N-O 3.15Å; L151-T153 HydrophobicContact CD2-CG2 4.46Å; L151-N160 HydrophobicContact CD2-CB 3.76Å; L151-N160 HydrophobicContact CG-CB 4.07Å; L151-T163 HydrophobicContact CD2-CG2 3.99Å; L151-A164 HydrophobicContact CD2-CB 3.9Å
152E98.5Very high97.5Very high30 Ų3048.3 Ų48.314%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-93.7136.9166.6-67.3-170.4164.600110.3G123 R132 T136 F150 N160G123-E152 CarbonylContact O-C 3.37Å; G123-E152 WeakPolarHBondContact O-CA 3.46Å; R132-E152 IonicContact CZ-OE1 3.49Å; R132-E152 IonicContact CZ-OE2 3.75Å; R132-E152 IonicContact NH1-OE1 3.28Å; R132-E152 PolarHBondContact NH1-OE1 2.87Å; R132-E152 IonicContact NH1-OE2 2.8Å; R132-E152 VanDerWaalsContact NH2-CD 3.35Å; R132-E152 IonicContact NH2-OE1 3.4Å; R132-E152 PolarHBondContact NH2-OE1 2.72Å; R132-E152 IonicContact NH2-OE2 2.99Å; R132-E152 PolarHBondContact NH2-OE2 2.84Å; T136-E152 WeakPolarHBondContact CB-OE1 3.33Å; T136-E152 HydrophobicContact CG2-CG 4.44Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.42Å; T136-E152 PolarHBondContact OG1-OE1 3Å; F150-E152 HydrophobicContact CE1-CG 4.28Å; F150-E152 HydrophobicContact CE2-CG 4.4Å; F150-E152 HydrophobicContact CZ-CG 3.69Å; E152-N160 VanDerWaalsContact O-CB 3.24Å; E152-N160 WeakPolarHBondContact O-CB 3.4Å; E152-N160 PolarHBondContact O-ND2 3.18Å
153T98.6Very high97.5Very high0 Ų049.8 Ų49.80%028%0.275CS..  trans-130162.5-175.661.10000111.5V122 G123 N124 K125 S126 L151 T159 N160 A164V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.22Å; G123-T153 PolarHBondContact O-N 2.9Å; N124-T153 CarbonylContact C-O 3.45Å; N124-T153 WeakPolarHBondContact CA-O 3.26Å; N124-T153 PolarHBondContact OD1-O 3.28Å; N124-T153 PolarHBondContact OD1-OG1 2.82Å; K125-T153 PolarHBondContact N-O 3.36Å; S126-T153 WeakPolarHBondContact CB-O 3.12Å; S126-T153 PolarHBondContact N-O 3.11Å; S126-T153 PolarHBondContact OG-O 3.2Å; L151-T153 HydrophobicContact CD2-CG2 4.46Å; T153-T159 CarbonylContact C-O 3.49Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.3Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; T153-A164 HydrophobicContact CG2-CB 4.05Å
154S98.2Very high97.5Very high0 Ų049.8 Ų49.80%028%0.276CS..  trans-135.7117.5161.9170.70000109.1S126 D127 L156 D157 S158 T159 V161S126-S154 WeakPolarHBondContact OG-CB 3.37Å; S126-S154 PolarHBondContact OG-N 3.4Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.43Å; D127-S154 PolarHBondContact OD1-OG 3.06Å; S154-L156 PolarHBondContact O-N 3.43Å; S154-L156 PolarHBondContact OG-N 3.01Å; S154-L156 VanDerWaalsContact OG-N 3.12Å; S154-D157 WeakPolarHBondContact CB-OD1 3.33Å; S154-D157 PolarHBondContact OG-N 3.4Å; S154-D157 PolarHBondContact OG-OD1 3.27Å; S154-S158 CarbonylContact O-C 3.56Å; S154-S158 WeakPolarHBondContact O-CA 3.48Å; S154-S158 PolarHBondContact O-N 3.18Å; S154-T159 PolarHBondContact N-O 3.47Å; S154-T159 PolarHBondContact O-N 2.8Å; S154-T159 VanDerWaalsContact O-N 3.16Å; S154-V161 WeakPolarHBondContact O-CG2 3.5Å
155A97.1Very high97.5Very high3 Ų343.4 Ų43.43%0.02525%0.246CC..THydrogen-bonded Turntrans-67.9-22.8169.600000112.5N26 L27 R30 F36 N124N26-A155 HydrophobicContact CB-CB 3.8Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.27Å; R30-A155 VanDerWaalsContact CZ-O 3.3Å; R30-A155 PolarHBondContact NE-O 3.41Å; R30-A155 PolarHBondContact NH2-O 3.14Å; F36-A155 HydrophobicContact CD2-CB 4.09Å; F36-A155 WeakPolarHBondContact CD2-O 3.47Å; F36-A155 HydrophobicContact CE2-CB 4.29Å; N124-A155 PolarHBondContact OD1-N 2.91Å
156L95.9Very high97.4Very high80 Ų8038.8 Ų38.842%0.41923%0.227SC..THydrogen-bonded Turntrans-70.8-50.2-177.6176.464.8000111.5R30 F36 D127 S154R30-L156 PolarHBondContact NH2-O 3.34Å; F36-L156 HydrophobicContact CD1-CD1 3.83Å; F36-L156 HydrophobicContact CE1-CD1 3.43Å; F36-L156 VanDerWaalsContact CE1-CD1 3.43Å; F36-L156 HydrophobicContact CE2-CB 4.16Å; F36-L156 HydrophobicContact CE2-CD1 4.39Å; F36-L156 HydrophobicContact CG-CD1 4.47Å; F36-L156 HydrophobicContact CZ-CB 4.19Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; D127-L156 HydrophobicContact CB-CD2 4.33Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.36Å; S154-L156 PolarHBondContact O-N 3.43Å; S154-L156 PolarHBondContact OG-N 3.01Å; S154-L156 VanDerWaalsContact OG-N 3.12Å
157D95.1Very high97.4Very high85 Ų8539.8 Ų39.846%0.45523%0.234SC..THydrogen-bonded Turntrans-104.45.8-178.467.718.1000113.6S154 T159S154-D157 WeakPolarHBondContact CB-OD1 3.33Å; S154-D157 PolarHBondContact OG-N 3.4Å; S154-D157 PolarHBondContact OG-OD1 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.25Å; D157-T159 PolarHBondContact O-N 3.14Å; D157-T159 WeakPolarHBondContact OD1-CB 3.42Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.2Å; D157-T159 PolarHBondContact OD2-OG1 3.11Å
158S96.1Very high97.5Very high45 Ų4536.5 Ų36.532%0.31520%0.2SC..  trans68.811.7-179.2-51.20000115.2R30 S154 N160 V161R30-S158 WeakPolarHBondContact CD-OG 3.48Å; R30-S158 PolarHBondContact NE-OG 3.24Å; S154-S158 CarbonylContact O-C 3.56Å; S154-S158 WeakPolarHBondContact O-CA 3.48Å; S154-S158 PolarHBondContact O-N 3.18Å; S158-N160 PolarHBondContact O-N 3.35Å; S158-V161 PolarHBondContact O-N 3.02Å
159T98.2Very high97.5Very high56 Ų5635.9 Ų35.934%0.34420%0.197SC..THydrogen-bonded Turntrans-59124.6178.3-62.80000111.2T153 S154 D157 V161T153-T159 CarbonylContact C-O 3.49Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.3Å; S154-T159 PolarHBondContact N-O 3.47Å; S154-T159 PolarHBondContact O-N 2.8Å; S154-T159 VanDerWaalsContact O-N 3.16Å; D157-T159 VanDerWaalsContact CG-OG1 3.25Å; D157-T159 PolarHBondContact O-N 3.14Å; D157-T159 WeakPolarHBondContact OD1-CB 3.42Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.2Å; D157-T159 PolarHBondContact OD2-OG1 3.11Å; T159-V161 PolarHBondContact O-N 2.84Å
160N98.1Very high97.4Very high64 Ų6435.7 Ų35.734%0.34220%0.195SC..THydrogen-bonded Turntrans57.97.8174.9-67.9-22.8000116.3L151 E152 T153 S158 T163 A164L151-N160 HydrophobicContact CD2-CB 3.76Å; L151-N160 HydrophobicContact CG-CB 4.07Å; E152-N160 VanDerWaalsContact O-CB 3.24Å; E152-N160 WeakPolarHBondContact O-CB 3.4Å; E152-N160 PolarHBondContact O-ND2 3.18Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; S158-N160 PolarHBondContact O-N 3.35Å; N160-T163 PolarHBondContact O-N 3.35Å; N160-A164 WeakPolarHBondContact O-CB 3.42Å; N160-A164 PolarHBondContact O-N 2.84Å
161V98Very high97.3Very high3 Ų336.7 Ų36.72%0.01820%0.2CC..Hα-helixtrans-63.9-53.6-179.6179.60000110.3L27 R30 F31 S154 S158 T159 T163 A164 F165L27-V161 HydrophobicContact CD2-CG1 4.24Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; R30-V161 HydrophobicContact CB-CG1 4.12Å; R30-V161 HydrophobicContact CG-CB 4.32Å; R30-V161 HydrophobicContact CG-CG1 4.05Å; R30-V161 HydrophobicContact CG-CG2 4.16Å; F31-V161 HydrophobicContact CB-CG1 4.13Å; S154-V161 WeakPolarHBondContact O-CG2 3.5Å; S158-V161 PolarHBondContact O-N 3.02Å; T159-V161 PolarHBondContact O-N 2.84Å; V161-T163 VanDerWaalsContact C-N 3.29Å; V161-T163 PolarHBondContact O-N 2.84Å; V161-A164 PolarHBondContact O-N 3.14Å; V161-F165 HydrophobicContact CG1-CD2 4.33Å; V161-F165 HydrophobicContact CG1-CE2 4.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.01Å
162E97.2Very high97.2Very high60 Ų6035 Ų3528%0.2819%0.191SC..Hα-helixtrans-58.1-45176.6-172.368.7-159.300111R51 A164 F165 Q166R51-E162 IonicContact CZ-OE1 3.23Å; R51-E162 IonicContact CZ-OE2 2.71Å; R51-E162 IonicContact NH1-OE1 3.44Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 3.38Å; R51-E162 IonicContact NH2-OE1 3.18Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.39Å; R51-E162 PolarHBondContact NH2-OE2 3.32Å; R51-E162 VanDerWaalsContact NH2-OE2 3.15Å; E162-A164 PolarHBondContact O-N 2.84Å; E162-F165 PolarHBondContact O-N 3.11Å; E162-Q166 HydrophobicContact CG-CG 4.19Å; E162-Q166 VanDerWaalsContact CG-NE2 3.35Å; E162-Q166 WeakPolarHBondContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.23Å; E162-Q166 PolarHBondContact O-N 2.9Å; E162-Q166 PolarHBondContact OE1-NE2 3.08Å
163T98Very high97.1Very high62 Ų6234.9 Ų34.938%0.3819%0.189SC..Hα-helixtrans-60.1-42.4-179.7-51.30000112.3L151 N160 V161 T167L151-T163 HydrophobicContact CD2-CG2 3.99Å; N160-T163 PolarHBondContact O-N 3.35Å; V161-T163 VanDerWaalsContact C-N 3.29Å; V161-T163 PolarHBondContact O-N 2.84Å; T163-T167 WeakPolarHBondContact O-CB 2.97Å; T163-T167 PolarHBondContact O-N 3.31Å; T163-T167 PolarHBondContact O-OG1 2.83Å
164A98.2Very high96.8Very high2 Ų241.6 Ų41.62%0.01722%0.215CC..Hα-helixtrans-59.1-51.9178.600000111.3M120 L151 T153 N160 V161 E162 T167 I168M120-A164 HydrophobicContact SD-CB 4.04Å; L151-A164 HydrophobicContact CD2-CB 3.9Å; T153-A164 HydrophobicContact CG2-CB 4.05Å; N160-A164 WeakPolarHBondContact O-CB 3.42Å; N160-A164 PolarHBondContact O-N 2.84Å; V161-A164 PolarHBondContact O-N 3.14Å; E162-A164 PolarHBondContact O-N 2.84Å; A164-T167 PolarHBondContact O-N 2.97Å; A164-I168 WeakPolarHBondContact O-CG2 3.47Å; A164-I168 PolarHBondContact O-N 3.36Å; A164-I168 VanDerWaalsContact O-N 3.13Å
165F97.8Very high96.5Very high2 Ų244.3 Ų44.31%0.00923%0.229CC..Hα-helixtrans-68.6-41.7-179.1-76.9-80.6000112.5L16 F31 I64 L88 V161 E162 T167 I168 L169L16-F165 HydrophobicContact CD1-CZ 4.44Å; L16-F165 HydrophobicContact CD2-CE1 3.97Å; L16-F165 HydrophobicContact CD2-CZ 3.97Å; F31-F165 HydrophobicContact CB-CD2 3.64Å; F31-F165 HydrophobicContact CB-CE2 3.58Å; F31-F165 HydrophobicContact CB-CG 4.35Å; F31-F165 HydrophobicContact CB-CZ 4.22Å; F31-F165 HydrophobicContact CD1-CB 4.29Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD2 4.01Å; F31-F165 HydrophobicContact CD1-CE1 4.28Å; F31-F165 HydrophobicContact CD1-CE2 4.33Å; F31-F165 AromaticContact CD1-CG 3.84Å; F31-F165 HydrophobicContact CD1-CG 3.84Å; F31-F165 HydrophobicContact CD1-CZ 4.45Å; F31-F165 HydrophobicContact CD2-CB 3.57Å; F31-F165 AromaticContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CD2 3.48Å; F31-F165 VanDerWaalsContact CD2-CD2 3.48Å; F31-F165 HydrophobicContact CD2-CE2 4.31Å; F31-F165 AromaticContact CD2-CG 3.63Å; F31-F165 HydrophobicContact CD2-CG 3.63Å; F31-F165 HydrophobicContact CE1-CB 4.01Å; F31-F165 HydrophobicContact CE1-CD1 4.06Å; F31-F165 AromaticContact CE1-CG 3.98Å; F31-F165 HydrophobicContact CE1-CG 3.98Å; F31-F165 HydrophobicContact CE2-CB 3.25Å; F31-F165 HydrophobicContact CE2-CD2 4.13Å; F31-F165 AromaticContact CE2-CG 3.8Å; F31-F165 HydrophobicContact CE2-CG 3.8Å; F31-F165 HydrophobicContact CG-CB 4.09Å; F31-F165 HydrophobicContact CG-CD1 4.24Å; F31-F165 AromaticContact CG-CD2 3.43Å; F31-F165 HydrophobicContact CG-CD2 3.43Å; F31-F165 VanDerWaalsContact CG-CD2 3.43Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.66Å; F31-F165 HydrophobicContact CG-CG 3.66Å; F31-F165 HydrophobicContact CG-CZ 4.38Å; F31-F165 HydrophobicContact CZ-CB 3.5Å; F31-F165 HydrophobicContact CZ-CD1 4.41Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å; I64-F165 HydrophobicContact CD1-CD1 3.93Å; I64-F165 HydrophobicContact CD1-CE1 3.73Å; I64-F165 HydrophobicContact CG1-CE1 4.37Å; I64-F165 HydrophobicContact CG2-CE1 4.1Å; L88-F165 HydrophobicContact CD1-CD1 3.96Å; L88-F165 HydrophobicContact CD1-CD2 4.37Å; L88-F165 HydrophobicContact CD1-CE1 3.55Å; L88-F165 HydrophobicContact CD1-CE2 4Å; L88-F165 HydrophobicContact CD1-CG 4.36Å; L88-F165 HydrophobicContact CD1-CZ 3.57Å; V161-F165 HydrophobicContact CG1-CD2 4.33Å; V161-F165 HydrophobicContact CG1-CE2 4.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.01Å; E162-F165 PolarHBondContact O-N 3.11Å; F165-T167 VanDerWaalsContact C-N 3.35Å; F165-T167 PolarHBondContact O-N 2.74Å; F165-I168 WeakPolarHBondContact O-CG2 3.29Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.03Å; F165-L169 WeakPolarHBondContact O-CD1 3.46Å; F165-L169 WeakPolarHBondContact O-CG 3.24Å; F165-L169 PolarHBondContact O-N 3.33Å
166Q96.8Very high96.2Very high85 Ų8546 Ų4640%0.39724%0.238SC..Hα-helixtrans-62.8-42.3176.1-74.8-176.2-2.400111.9E162 L169 T170E162-Q166 HydrophobicContact CG-CG 4.19Å; E162-Q166 VanDerWaalsContact CG-NE2 3.35Å; E162-Q166 WeakPolarHBondContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.23Å; E162-Q166 PolarHBondContact O-N 2.9Å; E162-Q166 PolarHBondContact OE1-NE2 3.08Å; Q166-L169 PolarHBondContact O-N 2.89Å; Q166-T170 VanDerWaalsContact O-CB 3.25Å; Q166-T170 WeakPolarHBondContact O-CB 3.39Å; Q166-T170 PolarHBondContact O-N 3.26Å; Q166-T170 PolarHBondContact O-OG1 2.79Å
167T97.5Very high95.8Very high60 Ų6043 Ų4337%0.36823%0.225SC..Hα-helixtrans-63.1-50.9-179.1-60.90000110.9M120 T163 A164 F165 L169 T170 E171M120-T167 HydrophobicContact CE-CG2 3.67Å; T163-T167 WeakPolarHBondContact O-CB 2.97Å; T163-T167 PolarHBondContact O-N 3.31Å; T163-T167 PolarHBondContact O-OG1 2.83Å; A164-T167 PolarHBondContact O-N 2.97Å; F165-T167 VanDerWaalsContact C-N 3.35Å; F165-T167 PolarHBondContact O-N 2.74Å; T167-L169 PolarHBondContact O-N 2.97Å; T167-T170 PolarHBondContact O-N 2.94Å; T167-E171 WeakPolarHBondContact O-CB 3.35Å; T167-E171 PolarHBondContact O-N 3.24Å
168I97.3Very high95.4Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-65.3-40.1-179.5-166169.9000111.9A87 L88 V118 M120 A164 F165 T170 E171 I172A87-I168 VanDerWaalsContact O-CD1 3.26Å; A87-I168 WeakPolarHBondContact O-CD1 3.34Å; L88-I168 HydrophobicContact CD2-CB 4.43Å; L88-I168 HydrophobicContact CD2-CD1 3.78Å; L88-I168 HydrophobicContact CD2-CG2 4.14Å; V118-I168 HydrophobicContact CB-CG1 4.44Å; V118-I168 HydrophobicContact CG1-CG1 3.93Å; M120-I168 HydrophobicContact CB-CD1 4.16Å; M120-I168 HydrophobicContact CE-CB 4.28Å; A164-I168 WeakPolarHBondContact O-CG2 3.47Å; A164-I168 PolarHBondContact O-N 3.36Å; A164-I168 VanDerWaalsContact O-N 3.13Å; F165-I168 WeakPolarHBondContact O-CG2 3.29Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 2.99Å; I168-E171 PolarHBondContact O-N 2.96Å; I168-I172 HydrophobicContact CG1-CD1 4.06Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.12Å; I168-I172 PolarHBondContact O-N 2.85Å
169L97.1Very high94.8Very high1 Ų147 Ų471%0.00523%0.234CC..Hα-helixtrans-66.6-36.5178.3-69.9168.9000111.9F12 V14 F31 I53 V60 A62 F165 Q166 T167 Y173F12-L169 HydrophobicContact CB-CD2 4.14Å; F12-L169 HydrophobicContact CD2-CD2 4.01Å; V14-L169 HydrophobicContact CG2-CD2 3.91Å; F31-L169 HydrophobicContact CZ-CD1 4.5Å; I53-L169 HydrophobicContact CD1-CB 3.68Å; I53-L169 HydrophobicContact CD1-CD1 3.49Å; I53-L169 VanDerWaalsContact CD1-CD1 3.49Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 4.03Å; V60-L169 HydrophobicContact CG1-CD2 4.48Å; A62-L169 HydrophobicContact CB-CD1 3.79Å; A62-L169 HydrophobicContact CB-CD2 3.74Å; A62-L169 HydrophobicContact CB-CG 4.45Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.03Å; F165-L169 WeakPolarHBondContact O-CD1 3.46Å; F165-L169 WeakPolarHBondContact O-CG 3.24Å; F165-L169 PolarHBondContact O-N 3.33Å; Q166-L169 PolarHBondContact O-N 2.89Å; T167-L169 PolarHBondContact O-N 2.97Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 3.13Å
170T96.4Very high93.9Very high30 Ų3047.7 Ų47.718%0.18423%0.233CC..Hα-helixtrans-67.9-40.4174.6-58.20000111.4V55 Q166 T167 I168 Y173 R174V55-T170 HydrophobicContact CG1-CG2 3.97Å; Q166-T170 VanDerWaalsContact O-CB 3.25Å; Q166-T170 WeakPolarHBondContact O-CB 3.39Å; Q166-T170 PolarHBondContact O-N 3.26Å; Q166-T170 PolarHBondContact O-OG1 2.79Å; T167-T170 PolarHBondContact O-N 2.94Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 2.99Å; T170-Y173 WeakPolarHBondContact O-CB 3.32Å; T170-Y173 PolarHBondContact O-N 3.33Å; T170-R174 WeakPolarHBondContact O-CG 3.43Å; T170-R174 PolarHBondContact O-N 2.88Å
171E95.5Very high92.9Very high64 Ų6451 Ų5130%0.29925%0.248SC..Hα-helixtrans-63.6-45.8176.8-170.3175.5172.400111.5V118 S149 T167 I168 Y173 R174 I175V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.77Å; V118-E171 HydrophobicContact CG2-CG 4.47Å; S149-E171 PolarHBondContact OG-OE2 2.83Å; T167-E171 WeakPolarHBondContact O-CB 3.35Å; T167-E171 PolarHBondContact O-N 3.24Å; I168-E171 PolarHBondContact O-N 2.96Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 3.18Å; E171-R174 PolarHBondContact O-N 3.17Å; E171-I175 HydrophobicContact CG-CD1 4.44Å; E171-I175 PolarHBondContact O-N 2.83Å; E171-I175 VanDerWaalsContact O-N 3.15Å
172I96Very high91.8Very high3 Ų353.5 Ų53.52%0.01527%0.266CS..Hα-helixtrans-59-47.1173.2-65160.8000110.5F12 V14 V85 V118 I168 R174 I175 V176F12-I172 HydrophobicContact CD1-CG2 3.85Å; F12-I172 HydrophobicContact CD2-CB 4.21Å; F12-I172 HydrophobicContact CD2-CG2 3.74Å; F12-I172 HydrophobicContact CE1-CG2 3.91Å; F12-I172 HydrophobicContact CE2-CB 4.23Å; F12-I172 HydrophobicContact CE2-CG2 3.81Å; F12-I172 HydrophobicContact CG-CG2 3.8Å; F12-I172 HydrophobicContact CZ-CG2 3.91Å; V14-I172 HydrophobicContact CG2-CD1 4.23Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.32Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.39Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.64Å; I168-I172 HydrophobicContact CG1-CD1 4.06Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.12Å; I168-I172 PolarHBondContact O-N 2.85Å; I172-R174 VanDerWaalsContact C-N 3.32Å; I172-R174 PolarHBondContact O-N 3.44Å; I172-I175 PolarHBondContact O-N 3.31Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 3.27Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 3.45Å
173Y95.6Very high90.8Very high27 Ų2756.5 Ų56.511%0.10628%0.281CS..Hα-helixtrans-55.8-45.8177.7170.1-101.9000112Y10 V55 D56 K58 V60 L169 T170 E171 I175 V176 S177Y10-Y173 HydrophobicContact CD2-CD2 4.01Å; Y10-Y173 AromaticContact CD2-CE2 3.94Å; Y10-Y173 HydrophobicContact CD2-CE2 3.94Å; Y10-Y173 AromaticContact CE2-CD2 3.96Å; Y10-Y173 HydrophobicContact CE2-CD2 3.96Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.87Å; V55-Y173 HydrophobicContact CB-CG 4.5Å; V55-Y173 HydrophobicContact CG1-CD1 3.56Å; V55-Y173 HydrophobicContact CG1-CE1 4.17Å; V55-Y173 HydrophobicContact CG1-CG 3.88Å; D56-Y173 HydrophobicContact CB-CE1 3.9Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.46Å; K58-Y173 HydrophobicContact CB-CE2 4.18Å; K58-Y173 HydrophobicContact CG-CE2 4.13Å; V60-Y173 HydrophobicContact CG2-CD2 4.46Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 3.13Å; T170-Y173 WeakPolarHBondContact O-CB 3.32Å; T170-Y173 PolarHBondContact O-N 3.33Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 3.18Å; Y173-I175 PolarHBondContact O-N 2.87Å; Y173-V176 PolarHBondContact O-N 3.26Å; Y173-S177 VanDerWaalsContact O-CB 3.22Å; Y173-S177 WeakPolarHBondContact O-CB 3.41Å; Y173-S177 PolarHBondContact O-N 2.89Å; Y173-S177 PolarHBondContact O-OG 2.84Å
174R93.4Very high89.5Confident142 Ų14261.7 Ų61.754%0.53629%0.293SS..Hα-helixtrans-60.5-43.8178.6-73.4174.1-179.5173.82112.1T170 E171 I172 S177 Q178T170-R174 WeakPolarHBondContact O-CG 3.43Å; T170-R174 PolarHBondContact O-N 2.88Å; E171-R174 PolarHBondContact O-N 3.17Å; I172-R174 VanDerWaalsContact C-N 3.32Å; I172-R174 PolarHBondContact O-N 3.44Å; R174-S177 PolarHBondContact O-OG 2.55Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; R174-Q178 WeakPolarHBondContact O-CB 3.42Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 2.95Å; R174-Q178 VanDerWaalsContact O-N 3.15Å
175I91.5Very high87.9Confident57 Ų5768.4 Ų68.429%0.29232%0.324SS..Hα-helixtrans-66.8-44.9178.9-66.9163.9000111.1V118 E171 I172 Y173 K179V118-I175 HydrophobicContact CG2-CD1 3.46Å; V118-I175 VanDerWaalsContact CG2-CD1 3.46Å; E171-I175 HydrophobicContact CG-CD1 4.44Å; E171-I175 PolarHBondContact O-N 2.83Å; E171-I175 VanDerWaalsContact O-N 3.15Å; I172-I175 PolarHBondContact O-N 3.31Å; Y173-I175 PolarHBondContact O-N 2.87Å; I175-K179 WeakPolarHBondContact O-CG 3.34Å; I175-K179 PolarHBondContact O-N 2.89Å
176V89.9Confident86.1Confident37 Ų3775.4 Ų75.422%0.22436%0.357CS..Hα-helixtrans-70-42.9-177.5173.80000111.6Y10 F12 I172 Y173 K179 Q180Y10-V176 HydrophobicContact CD1-CG1 4.19Å; Y10-V176 HydrophobicContact CE1-CG1 4.05Å; F12-V176 HydrophobicContact CE1-CB 4.44Å; F12-V176 HydrophobicContact CE1-CG1 4.42Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 3.27Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 3.45Å; Y173-V176 PolarHBondContact O-N 3.26Å; V176-K179 PolarHBondContact O-N 2.99Å; V176-Q180 WeakPolarHBondContact O-CG 3.16Å; V176-Q180 PolarHBondContact O-N 3.01Å; V176-Q180 VanDerWaalsContact O-N 3.07Å
177S89Confident84.4Confident19 Ų1974.7 Ų74.713%0.13336%0.361CS..Hα-helixtrans-65.1-40.4178.9570000112.4Y173 R174 Q180 M181Y173-S177 VanDerWaalsContact O-CB 3.22Å; Y173-S177 WeakPolarHBondContact O-CB 3.41Å; Y173-S177 PolarHBondContact O-N 2.89Å; Y173-S177 PolarHBondContact O-OG 2.84Å; R174-S177 PolarHBondContact O-OG 2.55Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; S177-Q180 PolarHBondContact O-N 2.93Å; S177-M181 WeakPolarHBondContact O-CG 3.28Å; S177-M181 PolarHBondContact O-N 2.87Å; S177-M181 VanDerWaalsContact O-N 3.09Å
178Q85.9Confident82.5Confident133 Ų13378.5 Ų78.562%0.62138%0.38SS*.Hα-helixtrans-62.4-43.8175.1-74.81734.800112R174 Q180 M181 S182R174-Q178 WeakPolarHBondContact O-CB 3.42Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 2.95Å; R174-Q178 VanDerWaalsContact O-N 3.15Å; Q178-Q180 PolarHBondContact O-N 3.28Å; Q178-M181 PolarHBondContact O-N 2.77Å; Q178-S182 PolarHBondContact O-N 3.22Å; Q178-S182 PolarHBondContact O-OG 2.7Å
179K83.1Confident80.5Confident80 Ų8086.4 Ų86.435%0.34842%0.418SS..Hα-helixtrans-61.6-42.5176.5-74.4-179.3179.6-176.60112.5N116 I175 V176 M181 S182 E183N116-K179 VanDerWaalsContact CG-NZ 3.33Å; N116-K179 PolarHBondContact ND2-NZ 3.49Å; N116-K179 VanDerWaalsContact ND2-NZ 3.16Å; I175-K179 WeakPolarHBondContact O-CG 3.34Å; I175-K179 PolarHBondContact O-N 2.89Å; V176-K179 PolarHBondContact O-N 2.99Å; K179-M181 VanDerWaalsContact C-N 3.27Å; K179-M181 PolarHBondContact O-N 2.74Å; K179-S182 WeakPolarHBondContact CA-OG 3.44Å; K179-S182 PolarHBondContact O-N 3.2Å; K179-S182 PolarHBondContact O-OG 2.84Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 3.28Å
180Q80.4Confident78.2Confident70 Ų7090.4 Ų90.433%0.32745%0.446SS..Hα-helixtrans-63.8-33.5176.5-73.1-178.5-4.600112.5Y10 V176 S177 Q178 R184Y10-Q180 PolarHBondContact OH-OE1 3.2Å; V176-Q180 WeakPolarHBondContact O-CG 3.16Å; V176-Q180 PolarHBondContact O-N 3.01Å; V176-Q180 VanDerWaalsContact O-N 3.07Å; S177-Q180 PolarHBondContact O-N 2.93Å; Q178-Q180 PolarHBondContact O-N 3.28Å; Q180-R184 VanDerWaalsContact O-CG 3.27Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.39Å
181M75.9Confident75.9Confident133 Ų13394.9 Ų94.966%0.65548%0.476SS*.Hα-helixtrans-71.3-40.9176.2-73.5-173.5167.700112.4S177 Q178 K179 Q185S177-M181 WeakPolarHBondContact O-CG 3.28Å; S177-M181 PolarHBondContact O-N 2.87Å; S177-M181 VanDerWaalsContact O-N 3.09Å; Q178-M181 PolarHBondContact O-N 2.77Å; K179-M181 VanDerWaalsContact C-N 3.27Å; K179-M181 PolarHBondContact O-N 2.74Å; M181-Q185 WeakPolarHBondContact O-CG 3.4Å; M181-Q185 PolarHBondContact O-N 3.4Å
182S76.5Confident73.9Confident57 Ų5797 Ų9740%0.39950%0.498SS..Hα-helixtrans-66.9-42.7177.754.40000112.4Q178 K179 R184 Q185 E186Q178-S182 PolarHBondContact O-N 3.22Å; Q178-S182 PolarHBondContact O-OG 2.7Å; K179-S182 WeakPolarHBondContact CA-OG 3.44Å; K179-S182 PolarHBondContact O-N 3.2Å; K179-S182 PolarHBondContact O-OG 2.84Å; S182-R184 VanDerWaalsContact C-N 3.33Å; S182-R184 PolarHBondContact O-N 3.15Å; S182-Q185 PolarHBondContact O-N 2.99Å; S182-E186 PolarHBondContact O-N 3.14Å
183E75.3Confident71.8Confident123 Ų123103.4 Ų103.458%0.57553%0.532SS*.Hα-helixtrans-64.2-37.2178.9-72.2171.4-179.100112.1K179 E186 S187K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 3.28Å; E183-E186 PolarHBondContact O-N 3.48Å; E183-S187 PolarHBondContact O-N 3.04Å; E183-S187 PolarHBondContact O-OG 2.98Å
184R71.1Confident69.9Low171 Ų171109.7 Ų109.765%0.64557%0.568SS**Hα-helixtrans-65.4-42.5174.5-75.4177.1-175.5-168.22.6112.1Q180 S182 E186 S187 D188Q180-R184 VanDerWaalsContact O-CG 3.27Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.39Å; S182-R184 VanDerWaalsContact C-N 3.33Å; S182-R184 PolarHBondContact O-N 3.15Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.44Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-N 3.4Å; R184-S187 PolarHBondContact O-OG 2.93Å; R184-D188 PolarHBondContact O-N 2.77Å
185Q63.5Low68.1Low143 Ų143108.9 Ų108.967%0.66858%0.578SS**Hα-helixtrans-64-37.4177.1-76.7179.9-3.400112.7M181 S182 D188 M189M181-Q185 WeakPolarHBondContact O-CG 3.4Å; M181-Q185 PolarHBondContact O-N 3.4Å; S182-Q185 PolarHBondContact O-N 2.99Å; Q185-D188 PolarHBondContact O-N 3.24Å; Q185-M189 PolarHBondContact O-N 3.43Å; Q185-M189 VanDerWaalsContact O-N 3.13Å
186E60.9Low66.4Low148 Ų148111.6 Ų111.669%0.69260%0.597SS**Hα-helixtrans-67.9-38.8174.2-75.1-177.9173.400112.2S182 E183 R184 D188 M189S182-E186 PolarHBondContact O-N 3.14Å; E183-E186 PolarHBondContact O-N 3.48Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.44Å; E186-D188 PolarHBondContact O-N 2.91Å; E186-M189 PolarHBondContact O-N 3.39Å
187S59.8Low64.5Low71 Ų71116.7 Ų116.750%0.49762%0.623SS.*Hα-helixtrans-66.6-35.2176.164.60000113.2E183 R184 M189 S190E183-S187 PolarHBondContact O-N 3.04Å; E183-S187 PolarHBondContact O-OG 2.98Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-N 3.4Å; R184-S187 PolarHBondContact O-OG 2.93Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-S190 PolarHBondContact O-N 3.3Å; S187-S190 PolarHBondContact O-OG 3Å
188D58.4Low63Low140 Ų140122.6 Ų122.675%0.74965%0.652SS**Hα-helixtrans-78.1-15.1176.7-76.8-26.3000113.2R184 Q185 E186R184-D188 PolarHBondContact O-N 2.77Å; Q185-D188 PolarHBondContact O-N 3.24Å; E186-D188 PolarHBondContact O-N 2.91Å
189M55Low61.4Low166 Ų166125.1 Ų125.182%0.81866%0.663SS**THydrogen-bonded Turntrans-90.511.5173.3-97.8-164.4178.800114.2Q185 E186 S187 P191Q185-M189 PolarHBondContact O-N 3.43Å; Q185-M189 VanDerWaalsContact O-N 3.13Å; E186-M189 PolarHBondContact O-N 3.39Å; S187-M189 VanDerWaalsContact C-N 3.33Å; M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.47Å
190S49.1Very low60.2Low84 Ų84127.2 Ų127.259%0.58768%0.683SS**  trans-61.8114.3167.3-51.50000109.6S187 S192S187-S190 PolarHBondContact O-N 3.3Å; S187-S190 PolarHBondContact O-OG 3Å; S190-S192 PolarHBondContact O-N 3.1Å; S190-S192 VanDerWaalsContact O-N 3.13Å
191P48.5Very low58.8Low124 Ų124132 Ų13281%0.80571%0.705SS**  trans-71.1116.4176.719.2-14.1000109.1M189M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.47Å
192S53.2Low57.7Low109 Ų109131.5 Ų131.576%0.76271%0.712SS**  trans-55.6139.5154.8-83.10000109.5S190S190-S192 PolarHBondContact O-N 3.1Å; S190-S192 VanDerWaalsContact O-N 3.13Å
193N52.6Low56.8Low138 Ų138135.3 Ų135.374%0.73873%0.733SS**  trans78.1100.9166.3-63.1-21000118.5
194N55.8Low55.7Low159 Ų159138.1 Ų138.185%0.8575%0.746SS**  -149.369.9121.9-91.9-30.2000110V196N194-V196 PolarHBondContact O-N 3.12Å
195V54.7Low54.7Low125 Ų125138 Ų13876%0.75876%0.758SS**  trans-78.198.3157.1-176.90000106.2N197V195-N197 PolarHBondContact O-N 3.2Å
196V54.9Low54Low113 Ų113140.7 Ų140.769%0.68577%0.768SS**  trans-71.9113166.4-179.10000106.6N194 I198N194-V196 PolarHBondContact O-N 3.12Å; V196-I198 PolarHBondContact O-N 3.11Å
197N51.1Low53.2Low144 Ų144139.4 Ų139.477%0.7777%0.772SS**  trans-63.2105.7169-95.7-12000108.6V195 Q199V195-N197 PolarHBondContact O-N 3.2Å; N197-Q199 PolarHBondContact O-N 3.23Å; N197-Q199 VanDerWaalsContact O-N 3.1Å
198I56.9Low52.8Low144 Ų144145.8 Ų145.874%0.73879%0.791SS**  trans-74.199.3169.8-58.6173000106.9V196 V200V196-I198 PolarHBondContact O-N 3.11Å; I198-V200 HydrophobicContact CG2-CG2 3.98Å; I198-V200 PolarHBondContact O-N 3.34Å
199Q53.1Low52.1Low185 Ų185148.5 Ų148.586%0.86480%0.801SS**  trans-75.9102.9163.8-79-173.6-14.600108.5N197 Q201N197-Q199 PolarHBondContact O-N 3.23Å; N197-Q199 VanDerWaalsContact O-N 3.1Å; Q199-Q201 PolarHBondContact O-N 3.03Å
200V57.3Low51.5Low124 Ų124148.9 Ų148.975%0.75280%0.801SS**  trans-77.1114.6170.8-164.80000107.5I198I198-V200 HydrophobicContact CG2-CG2 3.98Å; I198-V200 PolarHBondContact O-N 3.34Å
201Q52.1Low51Low171 Ų171149.9 Ų149.980%0.79981%0.807SS**PPolyproline II helixtrans-70.7139170.9-67.8-173.711.700109.4Q199 T203Q199-Q201 PolarHBondContact O-N 3.03Å; Q201-T203 PolarHBondContact O-N 2.91Å
202P51.7Low51Low123 Ų123149.5 Ų149.580%0.79981%0.806SS**PPolyproline II helixtrans-65.2129.2178.67.7-2.4000110.3E204P202-E204 PolarHBondContact O-N 3.19Å
203T57.8Low50.8Low137 Ų137153 Ų15384%0.8481%0.81SS**PPolyproline II helixtrans-61.6121.6176.3-32.50000110Q201 N205Q201-T203 PolarHBondContact O-N 2.91Å; T203-N205 PolarHBondContact O-N 3.28Å
204E51.5Low50.2Low181 Ų181153.8 Ų153.885%0.84682%0.815SS**PPolyproline II helixtrans-61.6129.9170.4-72.2-175.2156.500110.4P202 K206P202-E204 PolarHBondContact O-N 3.19Å; E204-K206 PolarHBondContact O-N 2.96Å
205N49.8Very low49.8Very low170 Ų170157.9 Ų157.991%0.90983%0.834SS**  trans-58.999.7174.2-82.2-33000110.6T203T203-N205 PolarHBondContact O-N 3.28Å
206K50.1Low49.6Very low198 Ų198159.5 Ų159.586%0.86184%0.838SS**  trans-83.8135.5157.8-83.5-175.3177.1177.80109.8E204E204-K206 PolarHBondContact O-N 2.96Å
207P44.3Very low49.3Very low122 Ų122161.9 Ų161.979%0.79285%0.846SS**  trans-71.6148-171.429.6-34.2000111.9
208K51.5Low49.2Very low205 Ų205162.9 Ų162.989%0.89185%0.85SS**  trans-44.7133.5175.2-72.5174171.8176.40112.6
209M42.6Very low48.7Very low196 Ų196164.1 Ų164.197%0.96686%0.857SS**  trans-117.7147.6148.4-84-165.7171.700110
210Q42.8Very low48.5Very low175 Ų175162.8 Ų162.882%0.81886%0.856SS**  trans-119.8140.9-151.4172178.46.700110.8
211C39.7Very low47.9Very low105 Ų105165.3 Ų165.371%0.70986%0.863SS**  trans62.1154.2156.8-70.30000118.6
212C47.4Very low47.6Very low116 Ų116164.9 Ų164.978%0.78487%0.868SS**  cis-142.8138.128.7-56.60000110.3
213Q48.6Very low47.3Very low181 Ų181168.2 Ų168.285%0.84687%0.873SS**  46.4112.290.5-82.4-172.5-14.500118
214N39.8Very low46.4Very low155 Ų155170.8 Ų170.883%0.82988%0.876SS**  trans19.9134.4149.7-62.80.9000120.7
215I48.6Very low45.9Very low245 Ų245169.8 Ų169.8100%1.25688%0.878SS**  -141.60101.8-86.1156.6000107.6

Retrieved 215 of 215 residues in 375.6 ms (Link to these results)

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