A0A096NME5_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (P62494), UniProt , Accession A0A096NME5, Species PAPAN (Papio anubis, Olive baboon), Gene RAB11A, Length 216 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
1M39.7Very low73.6Confident245 Ų245115.6 Ų115.6100%1.20759%0.586SS**  0103.30-81.6171.3163.200106.3T3M1-T3 PolarHBondContact O-N 3.09Å
2G49.9Very low75.6Confident69 Ų69106.6 Ų106.671%0.71154%0.54SS*.  trans-67.2129.6172.700000108.4
3T54.9Low77.3Confident87 Ų87101.3 Ų101.353%0.53451%0.511SS..  trans-69.1151.2168.748.90000107.9M1 D5 D6M1-T3 PolarHBondContact O-N 3.09Å; T3-D5 PolarHBondContact O-N 3.08Å; T3-D6 PolarHBondContact O-N 3.02Å
4R60.5Low78.7Confident227 Ų22794.1 Ų94.186%0.85748%0.475SS*.G310 helixtrans-53.7-20.9177.1-78.2179.2169.5179-4113.4D6 E7R4-D6 PolarHBondContact O-N 3.27Å; R4-E7 PolarHBondContact O-N 3.09Å
5D62Low79.9Confident123 Ų12387.9 Ų87.966%0.65844%0.443SS*.G310 helixtrans-67.7-14.2175.8-65.2-25.6000114.2T3T3-D5 PolarHBondContact O-N 3.08Å
6D72Confident81Confident87 Ų8782.4 Ų82.447%0.46542%0.415SS..G310 helixtrans-89.5-16.5176.5-73.8-33.4000113.9T3 R4 Y8 K61T3-D6 PolarHBondContact O-N 3.02Å; R4-D6 PolarHBondContact O-N 3.27Å; D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å
7E88.2Confident81.9Confident153 Ų15377.5 Ų77.572%0.71539%0.391SS*.  trans-78.8119.9174.4-72.1-178.6-178.100110R4R4-E7 PolarHBondContact O-N 3.09Å
8Y93.9Very high82.7Confident105 Ų10573.3 Ų73.341%0.41237%0.37SS..  trans-138.6148.9175.659.7-96.2000110.4D6 Y10 L11 K61D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å
9D95.8Very high83.4Confident74 Ų7470.5 Ų70.540%0.39636%0.356SS..SBendtrans-81-35.6172.6-64.4-93.5000111K58 T59D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å
10Y96.7Very high83.9Confident32 Ų3269.2 Ų69.213%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-135.5139.6-177.2-63.4-88.2000111.8Y8 F12 K58 T59 K61 Y173 V176 Q180Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Y10-T59 PolarHBondContact N-O 2.95Å; Y10-K61 PolarHBondContact O-N 3.29Å; Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; Y10-Q180 PolarHBondContact OH-OE1 2.77Å
11L96.5Very high84.3Confident70 Ų7068 Ų6837%0.36636%0.358SS..EExtended strand (participates in β ladder)trans-113.5113.9171.1-174.869000108.8Y8 K61 Q63Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å
12F97.5Very high87Confident7 Ų756.3 Ų56.33%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-113.9128.2-178.9-65.6-20.9000111.4Y10 I60 K61 A62 Q63 V85 L169 I172 V176Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; F12-K61 PolarHBondContact N-O 2.91Å; F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; F12-Q63 PolarHBondContact O-N 3.37Å; F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å
13K96.9Very high89.3Confident38 Ų3853.5 Ų53.517%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-91.6118.7171.8179.7175.1173.1-170.50110.1Q63 Y80 R82 A84 V85 G86K13-Q63 WeakPolarHBondContact CA-O 3.1Å; K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; K13-R82 PolarHBondContact NZ-O 2.96Å; K13-A84 HydrophobicContact CG-CB 4.36Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; K13-G86 PolarHBondContact O-N 3.07Å
14V97.9Very high91.3Very high1 Ų149.7 Ų49.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-118.9136.1176.2179.60000109.5Q63 I64 W65 G86 L169 I172V14-Q63 PolarHBondContact N-O 2.93Å; V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; V14-W65 PolarHBondContact O-N 2.72Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å
15V96.8Very high93Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-109.9141.2176.4-63.80000111I17 W65 Y81 A84 G86 A87 L88 L109V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; V15-Y81 HydrophobicContact CG2-CD1 4.31Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; V15-G86 PolarHBondContact N-O 3.2Å; V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; V15-L88 PolarHBondContact O-N 3.31Å; V15-L109 HydrophobicContact CG2-CD1 4.23Å
16L97.6Very high94.7Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-100.4121.3169.3-49.2-176.8000108.3K24 L28 I64 W65 D66 T67 L88 F165L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; L16-L28 HydrophobicContact CD1-CB 3.89Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L16-W65 PolarHBondContact N-O 2.82Å; L16-D66 HydrophobicContact CD1-CB 4.28Å; L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å
17I95.7Very high95.9Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-128.7161.2-178.165.2170.1000111.2V15 K24 Y81 L88 L89 V90 W105 L109V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; I17-L88 PolarHBondContact N-O 3.37Å; I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; I17-V90 PolarHBondContact O-N 3.14Å; I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å
18G96.1Very high96.4Very high1 Ų123.6 Ų23.61%0.0113%0.133CC..SBendtrans132.2172.6-175.700000112.1K24 G69 W105G18-K24 PolarHBondContact O-NZ 3.34Å; G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å
19D95.3Very high96.5Very high20 Ų2019.1 Ų19.111%0.10712%0.117CC..SBendtrans-59160.9-174.8-832.5000113.5G21 V22 K24 T98 N101 R104 W105D19-G21 PolarHBondContact O-N 3.04Å; D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; D19-K24 PolarHBondContact O-NZ 3.39Å; D19-T98 HydrophobicContact CB-CG2 4.2Å; D19-N101 PolarHBondContact OD2-ND2 2.95Å; D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å
20S93.3Very high96.6Very high44 Ų4417.7 Ų17.731%0.30811%0.106SC..THydrogen-bonded Turntrans-61.1137.7171.3177.80000110.7V22 S42 G69S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; S20-S42 PolarHBondContact OG-OG 3.2Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å
21G93.8Very high96.6Very high44 Ų4416.4 Ų16.445%0.45410%0.101SC..THydrogen-bonded Turntrans78.95.3173.700000115.7D19 G23 K125D19-G21 PolarHBondContact O-N 3.04Å; G21-G23 PolarHBondContact O-N 3.49Å; G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å
22V96.8Very high96.6Very high0 Ų014.4 Ų14.40%09%0.092CC..SBendtrans-71.5-15.3172.3-56.80000113D19 S20 K24 V90 D92 T98 N124 K125D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; V22-N124 PolarHBondContact O-ND2 3.16Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å
23G97.1Very high96.5Very high10 Ų1020.1 Ų20.110%0.10311%0.113CC..SBendtrans103.920.4174.100000115.6G21 S25 N26 L27G21-G23 PolarHBondContact O-N 3.49Å; G23-S25 PolarHBondContact O-N 3.07Å; G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.05Å
24K96.8Very high96.5Very high8 Ų823.7 Ų23.74%0.03513%0.134CC..Hα-helixtrans-52.7-50177.4-55.8-170.7-60.6-770113.3L16 I17 G18 D19 V22 N26 L27 L28 D66 T67 V90L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; G18-K24 PolarHBondContact O-NZ 3.34Å; D19-K24 PolarHBondContact O-NZ 3.39Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; K24-L28 PolarHBondContact O-N 2.94Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å
25S96.2Very high96.4Very high25 Ų2528.3 Ų28.318%0.17516%0.155CC..Hα-helixtrans-62-38.7178.2-37.10000112.4G23 L28 S29 T43 D66G23-S25 PolarHBondContact O-N 3.07Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; S25-T43 PolarHBondContact OG-OG1 3.42Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å
26N97.4Very high96.3Very high12 Ų1231.3 Ų31.36%0.06417%0.168CC..Hα-helixtrans-69.7-34.2175.8-86.8-39.4000112.3G23 K24 S29 R30 F36 N37 S40 A155G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N26-S40 PolarHBondContact ND2-OG 3.2Å; N26-A155 HydrophobicContact CB-CB 3.8Å
27L98.3Very high96.1Very high3 Ų335.5 Ų35.52%0.01619%0.191CC..Hα-helixtrans-64.2-43.8170.2-73170.7000110.7G23 K24 R30 F31 V90 V122 N124 A155 V161 F165G23-L27 PolarHBondContact O-N 3.05Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L27-V122 HydrophobicContact CD1-CG1 4.31Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; L27-F165 HydrophobicContact CB-CE2 4.49Å
28L97.5Very high95.7Very high2 Ų242.3 Ų42.31%0.0123%0.226CC..Hα-helixtrans-61.3-50.9177.2-17859.7000111.8L16 K24 S25 F31 T32 E47 A49 I64 D66L16-L28 HydrophobicContact CD1-CB 3.89Å; K24-L28 PolarHBondContact O-N 2.94Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; L28-F31 PolarHBondContact O-N 3.06Å; L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; L28-E47 HydrophobicContact CD2-CB 4.49Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; L28-D66 HydrophobicContact CD2-CB 3.63Å
29S96.3Very high95.2Very high11 Ų1150 Ų508%0.07726%0.262CS..Hα-helixtrans-66.8-37.8-179.765.80000111.8S25 N26 T32 R33 N34 E35S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; S29-T32 PolarHBondContact O-N 3.46Å; S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å
30R97.7Very high94.5Very high44 Ų4451.6 Ų51.617%0.16628%0.275CS..Hα-helixtrans-65.2-43.8176.8179.76173.3-1697.3110.7N26 L27 N34 E35 A155 L156 V161N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; L27-R30 PolarHBondContact O-N 3.31Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; R30-L156 PolarHBondContact NH2-O 3.42Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å
31F98Very high94.1Very high4 Ų458.6 Ų58.62%0.01830%0.3CS..Hα-helixtrans-68-46.4175.7-178.8-114.9000111.7L27 L28 R51 I53 I64 V161 F165L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L28-F31 PolarHBondContact O-N 3.06Å; F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; F31-I53 HydrophobicContact CZ-CG2 4.17Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å
32T96.3Very high93.7Very high29 Ų2959.2 Ų59.218%0.17830%0.297CS..Hα-helixtrans-84.6-30.4-169.455.50000114.4L28 S29 A49 R51L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; S29-T32 PolarHBondContact O-N 3.46Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; T32-R51 HydrophobicContact CG2-CB 4.32Å
33R95Very high92.9Very high127 Ų12760 Ų6048%0.47930%0.302SS..Hα-helixtrans-132.21-172.9-61-172.6-62-84.72.8114S29 E35S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å
34N96.2Very high91.9Very high112 Ų11265.8 Ų65.860%0.59933%0.329SS*.SBendtrans54.737.1-170.5-164.623.4000113.2S29 R30S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å
35E95.8Very high90.8Very high98 Ų9866.4 Ų66.446%0.45834%0.337SS..  trans-111.4145.3-179-72.6170.8-179.100111.4S29 R30 R33S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å
36F95.5Very high90.3Very high64 Ų6466.9 Ų66.928%0.28134%0.339SS..  trans-136134.4171.3174.9-91.2000110N26 L38 A155 L156N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å
37N92.6Very high89.9Confident88 Ų8871 Ų7147%0.47136%0.358SS..  trans-116.4112.3175.8-174.7-1.2000110.1N26 E39 S40N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å
38L87.8Confident89.6Confident143 Ų14375.4 Ų75.475%0.74938%0.377SS*.THydrogen-bonded Turntrans-65.4-32.4176.4-171.966.3000111.9F36 S40F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; L38-S40 PolarHBondContact O-N 2.97Å
39E84.8Confident89.4Confident162 Ų16275.9 Ų75.976%0.75738%0.382SS*.THydrogen-bonded Turntrans-91.524.7178.3-58.3-173.6172.500112.2N37 K41N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; E39-K41 PolarHBondContact O-N 3.23Å
40S81.8Confident89.4Confident54 Ų5478 Ų7838%0.37839%0.394SS..PPolyproline II helixtrans-55.1116.1177.963.70000110.4N26 N37 L38N26-S40 PolarHBondContact ND2-OG 3.2Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å; L38-S40 PolarHBondContact O-N 2.97Å
41K83.9Confident89.3Confident191 Ų19179.5 Ų79.583%0.8340%0.4SS*.PPolyproline II helixtrans-77164175.1-64-177.5-178.6176.40110.2E39 T43E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.81Å
42S85.2Confident89.2Confident56 Ų5681.8 Ų81.839%0.39242%0.416SS..PPolyproline II helixtrans-57.8124.5170.3-70.10000110.6S20 I44S20-S42 PolarHBondContact OG-OG 3.2Å; S42-I44 PolarHBondContact O-N 2.84Å
43T81.1Confident89.2Confident17 Ų1780.8 Ų80.810%0.10441%0.41CS..PPolyproline II helixtrans-55.9128.2172.1-39.90000110.2S25 K41 E47 D66 A68S25-T43 PolarHBondContact OG-OG1 3.42Å; K41-T43 PolarHBondContact O-N 2.81Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; T43-A68 WeakPolarHBondContact O-CB 3.43Å
44I75.2Confident89.3Confident132 Ų13280.3 Ų80.368%0.67741%0.413SS*.  trans-104.6117.2172-61.5175.2000106.5S42S42-I44 PolarHBondContact O-N 2.84Å
45G75.2Confident89.2Confident20 Ų2075.4 Ų75.421%0.20639%0.387CS..SBendtrans80.6-132.4-174.300000112.6A68G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å
46V84.9Confident89.1Confident35 Ų3576.3 Ų76.321%0.21240%0.395CS..EExtended strand (participates in β ladder)trans-138.7131.4-173.9-179.60000110.1W65 D66 Y80V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å
47E89Confident89Confident98 Ų9876.5 Ų76.546%0.45842%0.415SS..EExtended strand (participates in β ladder)trans-98145.6169.4-67-169.6176.100110.3L28 T43 W65 D66L28-E47 HydrophobicContact CD2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å
48F91Very high89.2Confident97 Ų9775.8 Ų75.843%0.42541%0.408SS..EExtended strand (participates in β ladder)trans-126.6133-178.1169.8-98.9000109.7T50 Q63 W65F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å
49A95.2Very high89.6Confident12 Ų1270.4 Ų70.410%0.09938%0.381CS..EExtended strand (participates in β ladder)trans-140.6156.5168.600000110.8L28 T32 I64L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å
50T95.8Very high90.2Very high55 Ų5562.7 Ų62.734%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-121.2140.2176.9-62.30000109.9F48 K61 A62F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å
51R95.7Very high90.9Very high75 Ų7561.7 Ų61.728%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-142.1134.3169.3-174168.3175.8-155.6-12109.8F31 T32 A62 E162F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; T32-R51 HydrophobicContact CG2-CB 4.32Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å
52S96Very high91.6Very high52 Ų5252.6 Ų52.636%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-92.2137.7173.1-60.60000110.3I60S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å
53I96Very high92.2Very high9 Ų952.3 Ų52.35%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-130.1162.4174.866.6159.5000110.2F31 V55 I60 Q166 L169F31-I53 HydrophobicContact CZ-CG2 4.17Å; I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å
54Q96.3Very high92.9Very high117 Ų11751.5 Ų51.555%0.54728%0.282SS..EExtended strand (participates in β ladder)trans-106.2125.8175.1-67.7-63.8-33.200110K58 T59Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å
55V95.4Very high93.9Very high9 Ų948 Ų486%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-135.4123.9174.9178.10000108.2I53 G57 K58 I60 T170 Y173I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; V55-T170 HydrophobicContact CG1-CG2 3.93Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å
56D92.6Very high94.7Very high116 Ų11647 Ų4762%0.6225%0.25SS*.THydrogen-bonded Turntrans49.639179.8-59.8-15000114.1K58 Y173D56-K58 PolarHBondContact O-N 2.86Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å
57G93.9Very high94.8Very high69 Ų6945.3 Ų45.371%0.71124%0.24SC*.THydrogen-bonded Turntrans72.910.7-178.100000114.8V55V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å
58K95.9Very high94.6Very high72 Ų7240.7 Ų40.731%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-107.3138.7176.2-62.6-62-171.41800111.3D9 Y10 Q54 V55 D56 Y173D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; D56-K58 PolarHBondContact O-N 2.86Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å
59T96.8Very high93.9Very high30 Ų3036.5 Ų36.518%0.18420%0.202CC..EExtended strand (participates in β ladder)trans-86.2112.4175.2-53.60000109.3D9 Y10 Q54D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å; Y10-T59 PolarHBondContact N-O 2.95Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å
60I97.6Very high93.1Very high0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-102.1117.1175.3-58.8173.3000108.4F12 S52 I53 V55 L169 Y173F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å
61K97.4Very high91.9Very high33 Ų3341.2 Ų41.214%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-88.9107.4169.7-167.1163.6-171.6161.40108.6D6 Y8 Y10 L11 F12 T50D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å; Y10-K61 PolarHBondContact O-N 3.29Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; F12-K61 PolarHBondContact N-O 2.91Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å
62A97.7Very high90.9Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-88.4121.6177.400000110.2F12 T50 R51 I64 L169F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å
63Q97.2Very high90.1Very high51 Ų5146.7 Ų46.724%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-95.6107.6168.6-76.6-172.2-13.200108.9L11 F12 K13 V14 F48L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å; F12-Q63 PolarHBondContact O-N 3.37Å; K13-Q63 WeakPolarHBondContact CA-O 3.1Å; V14-Q63 PolarHBondContact N-O 2.93Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å
64I97.3Very high88.9Confident0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-109.2123.8-174.2-51.9163.8000109.1V14 L16 L28 F31 A49 A62 F165V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å
65W95.2Very high87.8Confident57 Ų5747.9 Ų47.922%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-109110.4-178.1-60.378.6000109.1V14 V15 L16 V46 E47 F48 Y80V14-W65 PolarHBondContact O-N 2.72Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; L16-W65 PolarHBondContact N-O 2.82Å; V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å
66D92.6Very high86.8Confident0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-84.1117.3171176.140.5000109.9L16 K24 S25 L28 T43 V46 E47L16-D66 HydrophobicContact CD1-CB 4.28Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å; L28-D66 HydrophobicContact CD2-CB 3.63Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å
67T87.1Confident86.1Confident0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-97.7147.3-175.267.60000112.3L16 K24 G69 T77L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; T67-G69 PolarHBondContact O-N 3.36Å; T67-T77 HydrophobicContact CG2-CG2 3.96Å
68A84.5Confident85.4Confident0 Ų044 Ų440%021%0.214CC..PPolyproline II helixtrans-61.2127.7171.100000111.1T43 G45 Y73 T77T43-A68 WeakPolarHBondContact O-CB 3.43Å; G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å; A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; A68-T77 PolarHBondContact O-OG1 2.74Å
69G75.5Confident84.9Confident9 Ų943.9 Ų43.99%0.09323%0.226CC..  trans-89.46.6178.800000114.7G18 S20 T67G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å; T67-G69 PolarHBondContact O-N 3.36Å
70Q78.2Confident84.5Confident49 Ų4945.6 Ų45.623%0.22923%0.229CC..SBendtrans-85.8140.6175.8-70.6-171.94100110.7R72 Y73Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å
71E70.5Confident84.3Confident117 Ų11745.6 Ų45.655%0.54723%0.229SC..G310 helixtrans-57.7-39.6-178.7-173.1-8817600113.2Y73 R74E71-Y73 PolarHBondContact O-N 3.02Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å
72R75.9Confident83.9Confident187 Ų18754 Ų5471%0.70626%0.26SS*.G310 helixtrans-60.5-15.5178.9-64.9-175.7-64.6166.90.8114.5Q70Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å
73Y78.2Confident83.7Confident55 Ų5555.8 Ų55.822%0.21628%0.278CS..G310 helixtrans-104.45.1177.7-59-53.4000113.6A68 Q70 E71 A75 I76 T77A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å; E71-Y73 PolarHBondContact O-N 3.02Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å
74R71Confident83.6Confident65 Ų6553.3 Ų53.325%0.24527%0.267CS..Hα-helixtrans-54.3-42.5-176.8-82.2-178.5-173.5162.112.1114.6E71 I76 T77 S78 E108E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å; R74-I76 PolarHBondContact O-N 3.24Å; R74-T77 PolarHBondContact O-N 3.25Å; R74-S78 PolarHBondContact O-N 3.03Å; R74-E108 IonicContact NE-OE2 3.32Å
75A73.5Confident83.6Confident87 Ų8755.6 Ų55.672%0.71928%0.28SS*.Hα-helixtrans-61.6-28.4178.500000112.6Y73 S78Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; A75-S78 PolarHBondContact O-OG 2.99Å
76I75Confident83.8Confident82 Ų8252.9 Ų52.942%0.42127%0.27SS..Hα-helixtrans-78.1-43.4174-62.1173.8000109.2Y73 R74 S78 A79 Y80Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; R74-I76 PolarHBondContact O-N 3.24Å; I76-S78 PolarHBondContact O-N 3.5Å; I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å
77T77.1Confident84Confident1 Ų152.9 Ų52.91%0.00627%0.27CS..Hα-helixtrans-59.5-42.8-178.7-55.50000113.1T67 A68 Y73 R74 A79 Y80 Y81 W105T67-T77 HydrophobicContact CG2-CG2 3.96Å; A68-T77 PolarHBondContact O-OG1 2.74Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å; R74-T77 PolarHBondContact O-N 3.25Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-Y80 PolarHBondContact O-N 2.97Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å
78S79.8Confident84.6Confident30 Ų3052.9 Ų52.921%0.2127%0.27CS..Hα-helixtrans-61.5-30-177.364.50000113.6R74 A75 I76 Y80 Y81R74-S78 PolarHBondContact O-N 3.03Å; A75-S78 PolarHBondContact O-OG 2.99Å; I76-S78 PolarHBondContact O-N 3.5Å; S78-Y80 PolarHBondContact O-N 3.35Å; S78-Y81 PolarHBondContact O-N 3.37Å
79A85.7Confident85.2Confident69 Ų6952.9 Ų52.957%0.5727%0.27SS*.Hα-helixtrans-62.5-27.3175.300000112.8I76 T77I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; T77-A79 PolarHBondContact O-N 3.02Å
80Y88Confident86.3Confident65 Ų6552.5 Ų52.526%0.25527%0.266SS..Hα-helixtrans-82.4-16.2-179.2-66-88.6000113.3K13 V46 W65 I76 T77 S78 R82K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å; T77-Y80 PolarHBondContact O-N 2.97Å; S78-Y80 PolarHBondContact O-N 3.35Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å
81Y92Very high87.3Confident0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-68.9-28.9177.4-58.4-24000112.6V15 I17 T77 S78 G83 A84 E108 L109 H112V15-Y81 HydrophobicContact CG2-CD1 4.31Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; S78-Y81 PolarHBondContact O-N 3.37Å; Y81-G83 PolarHBondContact O-N 3.03Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å
82R90.3Very high88.7Confident210 Ų21044.6 Ų44.679%0.79223%0.229SC*.THydrogen-bonded Turntrans-59.3125.5179.2-174.1174.7-179.6167.80.6111.2K13 Y80 A84K13-R82 PolarHBondContact NZ-O 2.96Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å; R82-A84 PolarHBondContact O-N 3.35Å
83G92.7Very high89.7Confident37 Ų3735.7 Ų35.738%0.38120%0.196SC..THydrogen-bonded Turntrans70.49.1-179.300000114.5Y81Y81-G83 PolarHBondContact O-N 3.03Å
84A96.2Very high90.7Very high0 Ų034.1 Ų34.10%019%0.194CC..  trans-71127.6167.300000109K13 V15 Y81 R82 I117K13-A84 HydrophobicContact CG-CB 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; R82-A84 PolarHBondContact O-N 3.35Å; A84-I117 HydrophobicContact CB-CD1 4.03Å
85V97.2Very high92Very high47 Ų4736.4 Ų36.429%0.28521%0.205SC..SBendtrans-96.5-15.1176.8-65.80000111.9F12 K13 V118 I172F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; V85-V118 PolarHBondContact O-N 2.64Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å
86G98.1Very high93.1Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-140.6154.4174.600000113.6K13 V14 V15 V118K13-G86 PolarHBondContact O-N 3.07Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V15-G86 PolarHBondContact N-O 3.2Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å
87A98.2Very high94.2Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-139.8134.7170.500000112.1V15 L109 I117 V118 I119 M120 I168V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; A87-V118 PolarHBondContact N-O 3.28Å; A87-I119 WeakPolarHBondContact O-CA 3.16Å; A87-M120 PolarHBondContact O-N 2.91Å; A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å
88L98.7Very high95.2Very high1 Ų137.1 Ų37.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-96.2115162-60.3-172.3000108.6V15 L16 I17 V90 M120 V122 F165 I168V15-L88 PolarHBondContact O-N 3.31Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; I17-L88 PolarHBondContact N-O 3.37Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å
89L98.3Very high96.1Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-94.6103.2176.4176.554.3000108.9I17 V102 W105 L106 I119 M120 L121 V122I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L89-M120 PolarHBondContact N-O 3.43Å; L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; L89-V122 PolarHBondContact O-N 2.78Å
90V98.7Very high96.7Very high0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-104.8133.5-165.5-167.50000111.5I17 V22 K24 L27 L88 V122 N124I17-V90 PolarHBondContact O-N 3.14Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; V90-N124 HydrophobicContact CG1-CB 3.74Å
91Y98.7Very high97.2Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-128.5166.2168.173.9-83.5000110.9I93 Y99 V102 L121 V122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CG2 3.95Å; Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; Y91-N124 PolarHBondContact O-N 2.72Å; Y91-V134 HydrophobicContact CD2-CG2 4.34Å; 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 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y91-F150 HydrophobicContact CE1-CE2 4.35Å
92D98.6Very high97.5Very high1 Ų136.8 Ų36.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-98.6119.2176.3-179.7-16.9000109.2V22 A94 K95 T98 K125V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å
93I98.7Very high97.8Very high0 Ų033.3 Ų33.30%017%0.174CC..THydrogen-bonded Turntrans-61.7-21-177.465.5148.7000113.5Y91 N124 K125 R132 A133 V134Y91-I93 HydrophobicContact CE2-CG2 3.95Å; I93-N124 PolarHBondContact N-O 3.04Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; I93-R132 HydrophobicContact CD1-CB 4.47Å; I93-A133 PolarHBondContact O-N 2.84Å; I93-V134 PolarHBondContact O-N 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å
94A98.4Very high97.9Very high21 Ų2135.8 Ų35.817%0.17417%0.172CC..THydrogen-bonded Turntrans-90.9-3.4179.600000112.9D92 L128 L131D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å
95K98Very high97.9Very high113 Ų11335.9 Ų35.949%0.49117%0.173SC..  trans-13196.1-177.5-62.4-175-178.5-1760111.6D92 L97 T98D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å
96H97.9Very high97.9Very high68 Ų6833.9 Ų33.932%0.31516%0.16SC..Hα-helixtrans-51.7-42-178.6-169.4-91.7000113.9T98 Y99 E100 A133H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; H96-A133 HydrophobicContact CB-CB 4.15Å
97L97.9Very high97.8Very high107 Ų10739.7 Ų39.756%0.5619%0.185SC*.Hα-helixtrans-56.5-34.1178.1-178.562.1000113.3K95 Y99 E100 N101K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å
98T97.9Very high97.6Very high11 Ų1140.8 Ų40.87%0.06719%0.191CC..Hα-helixtrans-70.1-27.9178.570.50000112D19 V22 D92 K95 H96D19-T98 HydrophobicContact CB-CG2 4.2Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å; H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å
99Y98.6Very high97.4Very high21 Ų2140.8 Ų40.88%0.08219%0.19CC..Hα-helixtrans-77.9-43.6173.2171.4-102.6000111.7Y91 H96 L97 N101 V102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; Y99-N101 PolarHBondContact O-N 3.28Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; Y99-F142 WeakPolarHBondContact OH-CB 3.36Å
100E97.9Very high97.3Very high107 Ų10746.3 Ų46.350%0.521%0.211SC..Hα-helixtrans-55.5-38.1173.2-68.9174.9159.200111.8H96 L97 V102H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; E100-V102 PolarHBondContact O-N 2.97Å
101N97.3Very high97.1Very high27 Ų2750.9 Ų50.914%0.14424%0.236CC..THydrogen-bonded Turntrans-71.9-11.2178.4-74.7-31.4000114.3D19 L97 Y99 E103 R104 W105D19-N101 PolarHBondContact OD2-ND2 2.95Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å; Y99-N101 PolarHBondContact O-N 3.28Å; N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; N101-W105 PolarHBondContact O-N 2.96Å
102V98.2Very high96.8Very high1 Ų155.5 Ų55.51%0.00626%0.257CS..Hα-helixtrans-57.7-41.3178.2167.60000111.2L89 Y91 Y99 E100 R104 W105 L106 L121 F142L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; E100-V102 PolarHBondContact O-N 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; V102-W105 PolarHBondContact O-N 3.35Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å
103E97.8Very high96.6Very high137 Ų13756.2 Ų56.264%0.6426%0.263SS*.Hα-helixtrans-60.4-41.2-179.4-176.2169.4-151.900111.7N101 L106 K107 F142N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; E103-L106 PolarHBondContact O-N 3.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å
104R95.4Very high96.3Very high90 Ų9060.6 Ų60.634%0.3429%0.287SS..Hα-helixtrans-63.9-47.1175.6-179.8-177.264.5-137.10.5111.7D19 N101 V102 L106 K107 E108D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-K107 PolarHBondContact O-N 3.49Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å
105W95.6Very high96Very high2 Ų265 Ų651%0.00832%0.316CS..Hα-helixtrans-63-40.6178.1-76.1111.7000112.1I17 G18 D19 T77 L89 N101 V102 E108 L109I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; N101-W105 PolarHBondContact O-N 2.96Å; V102-W105 PolarHBondContact O-N 3.35Å; W105-E108 PolarHBondContact O-N 3.12Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å
106L97.2Very high95.8Very high4 Ų465.2 Ų65.22%0.02132%0.323CS..Hα-helixtrans-62.4-44.9176.2-179.560000111.5L89 V102 E103 R104 L109 R110 I119 F142 N146 L148L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; E103-L106 PolarHBondContact O-N 3.45Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L106-N146 HydrophobicContact CD2-CB 3.98Å; L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å
107K95.8Very high95.7Very high122 Ų12263 Ų6353%0.5331%0.313SS..Hα-helixtrans-60.6-50.7176.1-169.9-164.4-175.9-44.60110.9E103 R104 L109 R110 D111E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; R104-K107 PolarHBondContact O-N 3.49Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å
108E93.7Very high95.7Very high24 Ų2458.7 Ų58.711%0.11229%0.291CS..Hα-helixtrans-58.1-42.7-179.2-165.7-167.611400111.8R74 Y81 R104 W105 D111 H112R74-E108 IonicContact NE-OE2 3.32Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å; W105-E108 PolarHBondContact O-N 3.12Å; E108-D111 PolarHBondContact O-N 3.32Å; E108-H112 PolarHBondContact O-ND1 3.03Å
109L95Very high95.8Very high0 Ų058.7 Ų58.70%029%0.291CS..Hα-helixtrans-60.4-50175.2-179.669.2000111.3V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119V15-L109 HydrophobicContact CG2-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å; L109-H112 PolarHBondContact O-N 3.25Å; L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å
110R95.7Very high95.8Very high117 Ų11757.9 Ų57.944%0.44229%0.287SS..Hα-helixtrans-64.3-29.9-179.2-75.9176.6169.6165.5-1.3113.4L106 K107 H112 N146L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å
111D94Very high95.8Very high95 Ų9552.8 Ų52.851%0.50826%0.264SS..Hα-helixtrans-71.2-19.8178.4-68.8-17.4000112.8K107 E108 L109K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å; E108-D111 PolarHBondContact O-N 3.32Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å
112H92.6Very high95.9Very high97 Ų9751.5 Ų51.545%0.44926%0.257SS..Hα-helixtrans-130-16.9-169-63.194.4000115.1Y81 E108 L109 R110Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å; E108-H112 PolarHBondContact O-ND1 3.03Å; L109-H112 PolarHBondContact O-N 3.25Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å
113A94.4Very high95.9Very high17 Ų1751.5 Ų51.514%0.1426%0.257CS..SBendtrans-91168.4176.500000111.8L109 I117L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å
114D92.9Very high96Very high92 Ų9245 Ų4549%0.49223%0.227SC..  trans-63142.6171.8-69.6-66.2000111N116 I117D114-N116 PolarHBondContact O-N 2.85Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å
115S92.5Very high96.1Very high114 Ų11442.9 Ų42.980%0.79722%0.22SC*.THydrogen-bonded Turntrans-60.7-20.6-175.9630000114.3
116N92.5Very high96.2Very high116 Ų11643 Ų4362%0.6222%0.221SC*.THydrogen-bonded Turntrans-9913.3-178.6-58.8-34.8000112.8D114 V118D114-N116 PolarHBondContact O-N 2.85Å; N116-V118 PolarHBondContact O-N 3.41Å
117I97.1Very high96.3Very high22 Ų2244.9 Ų44.911%0.11323%0.231CC..  trans-58.7130.6176.9-171.7168.1000110.6A84 A87 L109 A113 D114 I119A84-I117 HydrophobicContact CB-CD1 4.03Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å
118V98.1Very high96.4Very high16 Ų1641.1 Ų41.110%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-81.4127173.5-1780000108.7V85 G86 A87 N116 I168 E171 I172 I175V85-V118 PolarHBondContact O-N 2.64Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å; A87-V118 PolarHBondContact N-O 3.28Å; N116-V118 PolarHBondContact O-N 3.41Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å
119I98.6Very high96.5Very high12 Ų1247.8 Ų47.86%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-123.9130.4-175.3-51.8169.5000109.4A87 L89 L106 L109 I117 L148 S149A87-I119 WeakPolarHBondContact O-CA 3.16Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; I119-S149 PolarHBondContact O-N 2.97Å
120M98.8Very high96.6Very high3 Ų355 Ų552%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-117126.8172.4-179.1-178.6-7300110A87 L88 L89 V122 S149 I151 A164 T167 I168A87-M120 PolarHBondContact O-N 2.91Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L89-M120 PolarHBondContact N-O 3.43Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; M120-A164 HydrophobicContact SD-CB 4.1Å; M120-T167 HydrophobicContact CE-CG2 3.53Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å
121L98.9Very high96.7Very high0 Ų054.1 Ų54.10%028%0.277CS..EExtended strand (participates in β ladder)trans-78127.6167-177.970000109.5L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; L121-S149 PolarHBondContact N-O 2.88Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å
122V98.9Very high96.9Very high1 Ų153 Ų531%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-121.8110.5-177.7-1770000110.4L27 L88 L89 V90 Y91 M120 N124 I151 T153L27-V122 HydrophobicContact CD1-CG1 4.31Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L89-V122 PolarHBondContact O-N 2.78Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; V122-N124 PolarHBondContact O-N 3.23Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å
123G98.8Very high97.2Very high0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-82.399.1168.800000110.3I151 E152 T153G123-I151 PolarHBondContact N-O 2.92Å; G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-T153 PolarHBondContact O-N 3.37Å
124N98.8Very high97.4Very high2 Ų249.6 Ų49.61%0.01126%0.255CS..EExtended strand (participates in β ladder)trans-90.1165.3-178-170.233.3000112.3V22 L27 V90 Y91 I93 V122 T153 A155V22-N124 PolarHBondContact O-ND2 3.16Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; V90-N124 HydrophobicContact CG1-CB 3.74Å; Y91-N124 PolarHBondContact O-N 2.72Å; I93-N124 PolarHBondContact N-O 3.04Å; V122-N124 PolarHBondContact O-N 3.23Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; N124-A155 PolarHBondContact OD1-N 2.92Å
125K98.2Very high97.6Very high45 Ų4548.4 Ų48.420%0.19625%0.252CS..  trans68.240-177.4-47.8-170.3-165.8166.70113.4G21 V22 D92 I93 D127 L128 T153G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; K125-T153 PolarHBondContact N-O 3.34Å
126S98.5Very high97.9Very high3 Ų344.5 Ų44.52%0.02122%0.223CC..THydrogen-bonded Turntrans-62-7.2174.968.60000114.1L128 R129 T153 S154S126-L128 VanDerWaalsContact C-N 3.3Å; S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å
127D98.2Very high98.2Very high44 Ų4444.5 Ų44.524%0.23522%0.223CC..THydrogen-bonded Turntrans-67.4-28.9166.255.4-70.1000112.2K125 R129 S154 L156K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; D127-R129 PolarHBondContact O-N 3.13Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å
128L97.5Very high98.2Very high44 Ų4447.3 Ų47.323%0.2324%0.236CC..  trans-82.736179-58-178.2000113.3A94 K125 S126 H130 L131 R132A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; S126-L128 VanDerWaalsContact C-N 3.3Å; L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; L128-R132 PolarHBondContact O-N 2.8Å
129R96.2Very high98.3Very high164 Ų16446.5 Ų46.562%0.61923%0.231SC*.G310 helixtrans-53.1-37.1-175-55-172.6-177.9-136.90.8113.6S126 D127 L131 R132S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; D127-R129 PolarHBondContact O-N 3.13Å; R129-L131 PolarHBondContact O-N 3.49Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å
130H97.4Very high98.3Very high151 Ų15150.4 Ų50.470%0.69925%0.245SC*.G310 helixtrans-70.7-16.5179.663.4-76.4000113.7L128L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å
131L98.1Very high98.2Very high98 Ų9852.8 Ų52.851%0.51327%0.265SS..G310 helixtrans-10911.8175.8-57.6177.3000112.2A94 L128 R129 A133A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; R129-L131 PolarHBondContact O-N 3.49Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å
132R98.6Very high98.2Very high72 Ų7254.2 Ų54.227%0.27227%0.272SS..  trans-55.9120.1-176.9177.3176.6-70.1-887.4110.4I93 L128 R129 V134 T136 E152I93-R132 HydrophobicContact CD1-CB 4.47Å; L128-R132 PolarHBondContact O-N 2.8Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å
133A98.3Very high98.2Very high42 Ų4254.2 Ų54.235%0.34727%0.272SS..  trans-105.1-17.3175.500000112.3I93 H96 L131I93-A133 PolarHBondContact O-N 2.84Å; H96-A133 HydrophobicContact CB-CB 4.15Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å
134V98.3Very high98.2Very high0 Ų060.6 Ų60.60%030%0.302CS..SBendtrans-115.5112179.8-174.30000109.4Y91 I93 Y99 R132 T136 A139Y91-V134 HydrophobicContact CD2-CG2 4.34Å; 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 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; V134-T136 PolarHBondContact O-N 3.33Å; V134-A139 HydrophobicContact CG1-CB 4.32Å
135P98.1Very high98.2Very high68 Ų6869 Ų6944%0.44234%0.338SS..  trans-58.4135.1172.5-22.933.5000111.6D137 E138 A139P135-D137 PolarHBondContact O-N 3.26Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; P135-A139 PolarHBondContact O-N 3.37Å
136T98.4Very high98.2Very high32 Ų3268.7 Ų68.720%0.19634%0.338CS..Hα-helixtrans-59.8-37.2-179.9-55.90000112.1R132 V134 E138 A139 R140 F150 E152R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; V134-T136 PolarHBondContact O-N 3.33Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; T136-A139 PolarHBondContact O-N 3.23Å; T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å
137D98.3Very high98.1Very high116 Ų11671.8 Ų71.862%0.6237%0.371SS*.Hα-helixtrans-68.4-33-179.4-63.8-18.2000112.4P135 R140 A141P135-D137 PolarHBondContact O-N 3.26Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å
138E98.2Very high98.1Very high80 Ų8070.4 Ų70.437%0.37436%0.364SS..Hα-helixtrans-65.2-49.4175.4-171.7-175154.100110.9Y99 P135 T136 R140 A141 F142Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; E138-A141 PolarHBondContact O-N 3.24Å; E138-F142 PolarHBondContact O-N 3.12Å
139A98.5Very high98.2Very high0 Ų069.6 Ų69.60%036%0.362CS..Hα-helixtrans-64.8-37.2177.700000112.5Y91 Y99 L121 V134 P135 T136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; V134-A139 HydrophobicContact CG1-CB 4.32Å; P135-A139 PolarHBondContact O-N 3.37Å; T136-A139 PolarHBondContact O-N 3.23Å; A139-F142 PolarHBondContact O-N 2.95Å; A139-A143 PolarHBondContact O-N 3.1Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å
140R98.6Very high98.3Very high93 Ų9364 Ų6435%0.35134%0.342SS..Hα-helixtrans-63.9-46.8174.5-171.1-178.7-58.8101.4-1.2111.5T136 D137 E138 F142 A143 E144 F150T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å
141A98.6Very high98.4Very high53 Ų5358.1 Ų58.144%0.43832%0.315SS..Hα-helixtrans-61.2-38.317700000111.7D137 E138 K145D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å; E138-A141 PolarHBondContact O-N 3.24Å; A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å
142F98.7Very high98.4Very high31 Ų3154.9 Ų54.914%0.13630%0.297CS..Hα-helixtrans-61.7-45.4172.7174.9-84000112.1Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148Y99-F142 WeakPolarHBondContact OH-CB 3.36Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; E138-F142 PolarHBondContact O-N 3.12Å; A139-F142 PolarHBondContact O-N 2.95Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; F142-K145 PolarHBondContact O-N 2.91Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å
143A98.7Very high98.4Very high1 Ų151.4 Ų51.41%0.00828%0.284CS..Hα-helixtrans-62.3-48.1179.100000111.4L121 A139 R140 K145 N146 G147 L148 F150L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; A139-A143 PolarHBondContact O-N 3.1Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.44Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; A143-G147 PolarHBondContact O-N 2.89Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å
144E98.3Very high98.4Very high134 Ų13449.4 Ų49.463%0.62627%0.268SS*.Hα-helixtrans-58.4-49.1176.4-72172.9-171.400111.7R140 N146 G147R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å
145K98.4Very high98.4Very high179 Ų17949.5 Ų49.578%0.77827%0.269SS*.Hα-helixtrans-56.3-33.1176.9179.5-176.7174.6-171.40112.5A141 F142 A143A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å; F142-K145 PolarHBondContact O-N 2.91Å; A143-K145 PolarHBondContact O-N 3.44Å
146N98Very high98.4Very high37 Ų3749.8 Ų49.820%0.19827%0.266CS..Hα-helixtrans-992.2-177.4-76.2-79.3000113.9L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.98Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å
147G97.4Very high98.3Very high69 Ų6951.9 Ų51.971%0.71128%0.276SS*.THydrogen-bonded Turntrans66.336.8-177.900000113.7A143 E144A143-G147 PolarHBondContact O-N 2.89Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å
148L98.4Very high98.3Very high15 Ų1549.2 Ų49.28%0.07927%0.267CS..  trans-106.3146.5178-37.8177.7000109.6L106 I119 L121 F142 A143 N146L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å
149S98.4Very high98.3Very high27 Ų2747.7 Ų47.719%0.18926%0.263CS..EExtended strand (participates in β ladder)trans-72.1156.1162.451.70000109.9I119 M120 L121 E171I119-S149 PolarHBondContact O-N 2.97Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; L121-S149 PolarHBondContact N-O 2.88Å; S149-E171 PolarHBondContact OG-OE2 2.86Å
150F98.7Very high98.3Very high45 Ų4551.2 Ų51.220%0.19728%0.282CS..EExtended strand (participates in β ladder)trans-136.1136.3-176.9173.8-112.1000112.2Y91 L121 T136 A139 R140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.35Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å
151I98.8Very high98.3Very high28 Ų2847 Ų4714%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-150.8147.8173.2-165166.5000110.8M120 L121 V122 G123 T153 N160 A163 A164M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; G123-I151 PolarHBondContact N-O 2.92Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; I151-A163 HydrophobicContact CD1-CB 4.06Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å
152E98.8Very high98.3Very high30 Ų3048 Ų4814%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-101139.9168-66.4-170.4162.100110.7G123 R132 T136 F150 N160G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å
153T98.8Very high98.3Very high0 Ų048.3 Ų48.30%027%0.27CS..  trans-132.5159.7-174.958.70000111.7V122 G123 N124 K125 S126 I151 T159 N160 A164V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å; G123-T153 PolarHBondContact O-N 3.37Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; K125-T153 PolarHBondContact N-O 3.34Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; T153-A164 HydrophobicContact CG2-CB 3.98Å
154S98.6Very high98.3Very high0 Ų048.4 Ų48.40%027%0.271CS..  trans-133.4110.7165.11630000108.5S126 D127 L156 D157 S158 T159 V161S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å; S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å
155A98.2Very high98.3Very high2 Ų242.1 Ų42.12%0.01724%0.241CC..THydrogen-bonded Turntrans-65.1-26.1171.800000112.3N26 L27 R30 F36 N124N26-A155 HydrophobicContact CB-CB 3.8Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; N124-A155 PolarHBondContact OD1-N 2.92Å
156L97.6Very high98.3Very high74 Ų7436 Ų3639%0.38722%0.215SC..THydrogen-bonded Turntrans-64.2-57.3-179.8176.264.4000110.8R30 F36 D127 S154R30-L156 PolarHBondContact NH2-O 3.42Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å
157D97.2Very high98.3Very high75 Ų7536.9 Ų36.940%0.40122%0.223SC..THydrogen-bonded Turntrans-99.75.5-176.165.332.3000113.8S154 T159S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å
158S97.8Very high98.4Very high61 Ų6133.6 Ų33.643%0.42719%0.189SC..  trans695.7-17874.80000116.7S154 N160 V161S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; S158-V161 PolarHBondContact O-N 2.96Å
159T98.6Very high98.4Very high47 Ų4733 Ų3329%0.28819%0.185SC..THydrogen-bonded Turntrans-53124.1178.9-62.90000110.9T153 S154 D157 V161T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å; T159-V161 PolarHBondContact O-N 3.29Å
160N98.6Very high98.3Very high75 Ų7532.9 Ų32.940%0.40118%0.184SC..THydrogen-bonded Turntrans57.28.6175.6-66.3-23000116.3I151 E152 T153 S158 A163 A164I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å
161V98.7Very high98.3Very high4 Ų433.7 Ų33.72%0.02419%0.188CC..Hα-helixtrans-64.6-52.9-179.4178.90000110.4L27 R30 F31 S154 S158 T159 A163 A164 F165L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å; S158-V161 PolarHBondContact O-N 2.96Å; T159-V161 PolarHBondContact O-N 3.29Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 2.73Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å
162E98.1Very high98.2Very high73 Ų7332.5 Ų32.534%0.34118%0.182SC..Hα-helixtrans-58.8-44175.6-171.967.5-150.300110.8R51 A164 F165 Q166R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å; E162-A164 PolarHBondContact O-N 3.19Å; E162-F165 PolarHBondContact O-N 3.45Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å
163A98.6Very high98.2Very high39 Ų3932.1 Ų32.132%0.32218%0.18SC..Hα-helixtrans-60.1-43.618000000112.6I151 N160 V161 F165 Q166 T167I151-A163 HydrophobicContact CD1-CB 4.06Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; A163-F165 PolarHBondContact O-N 3.39Å; A163-Q166 PolarHBondContact O-N 3.38Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å
164A98.7Very high98Very high2 Ų238.6 Ų38.62%0.01720%0.204CC..Hα-helixtrans-59.6-49.2178.900000111.8M120 I151 T153 N160 V161 E162 I168M120-A164 HydrophobicContact SD-CB 4.1Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å; T153-A164 HydrophobicContact CG2-CB 3.98Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 2.73Å; E162-A164 PolarHBondContact O-N 3.19Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å
165F98.5Very high97.8Very high2 Ų242.6 Ų42.61%0.00923%0.225CC..Hα-helixtrans-69.2-41.3179.3-76.6-78.5000112.6L16 L27 F31 I64 L88 V161 E162 A163 I168 L169L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å; L27-F165 HydrophobicContact CB-CE2 4.49Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å; E162-F165 PolarHBondContact O-N 3.45Å; A163-F165 PolarHBondContact O-N 3.39Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å
166Q98Very high97.6Very high50 Ų5044.5 Ų44.523%0.23424%0.236CC..Hα-helixtrans-62.1-45.1176.2-71.6-68.6-18.600111.6I53 E162 A163 T170I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å; A163-Q166 PolarHBondContact O-N 3.38Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å
167T98.3Very high97.4Very high57 Ų5741.6 Ų41.635%0.3522%0.222SC..Hα-helixtrans-62.8-51.7180-68.90000111.2M120 A163 L169 T170 E171M120-T167 HydrophobicContact CE-CG2 3.53Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å; T167-L169 PolarHBondContact O-N 3.37Å; T167-T170 PolarHBondContact O-N 3.16Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å
168I98.4Very high97.1Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-63.6-40.8-178.9-167.8167.7000111.9A87 L88 V118 M120 A164 F165 T170 E171 I172A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; I168-E171 PolarHBondContact O-N 2.89Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å
169L98.3Very high96.6Very high1 Ų146.8 Ų46.81%0.00524%0.235CC..Hα-helixtrans-67.1-36178.8-69168.4000111.9F12 V14 I53 I60 A62 F165 T167 Y173F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å; T167-L169 PolarHBondContact O-N 3.37Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å
170T97.9Very high96Very high25 Ų2548.2 Ų48.215%0.15324%0.238CC..Hα-helixtrans-67.9-41.3174.3-59.70000111.7V55 Q166 T167 I168 Y173 R174V55-T170 HydrophobicContact CG1-CG2 3.93Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å; T167-T170 PolarHBondContact O-N 3.16Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; T170-Y173 PolarHBondContact O-N 2.57Å; T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å
171E97.6Very high95.3Very high62 Ų6249.7 Ų49.729%0.2924%0.244SC..Hα-helixtrans-61-47.3175.2-75.3174.7-177.400111.4V118 S149 T167 I168 Y173 R174 I175V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; S149-E171 PolarHBondContact OG-OE2 2.86Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å; I168-E171 PolarHBondContact O-N 2.89Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; E171-R174 PolarHBondContact O-N 2.92Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å
172I97.8Very high94.6Very high3 Ų352 Ų522%0.01526%0.26CS..Hα-helixtrans-58.8-48175.1-64.5160.2000110.4F12 V14 V85 V118 I168 R174 I175 V176F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; I172-I175 PolarHBondContact O-N 3.17Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å
173Y97.5Very high93.8Very high23 Ų2351.9 Ų51.99%0.0926%0.262CS..Hα-helixtrans-57.4-43.5179169.9-109.1000112.4Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å; T170-Y173 PolarHBondContact O-N 2.57Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; Y173-I175 PolarHBondContact O-N 3.08Å; Y173-V176 PolarHBondContact O-N 2.73Å; Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å
174R96Very high92.9Very high135 Ų13558.3 Ų58.351%0.50928%0.278SS..Hα-helixtrans-61.8-43178.8-74.2173.3179.7173.92.6111.8T170 E171 I172 S177 Q178T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å; E171-R174 PolarHBondContact O-N 2.92Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; R174-S177 PolarHBondContact O-OG 2.81Å; R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å
175I94.5Very high91.8Very high85 Ų8566.9 Ų66.944%0.43631%0.31SS..Hα-helixtrans-66-47177.8-65.6168.1000110.9V118 E171 I172 Y173 K179V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å; I172-I175 PolarHBondContact O-N 3.17Å; Y173-I175 PolarHBondContact O-N 3.08Å; I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å
176V93.4Very high90.6Very high42 Ų4273.3 Ų73.326%0.25534%0.34SS..Hα-helixtrans-67.1-43.7-177.6173.40000111.6Y10 F12 I172 Y173 K179 Q180Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å; Y173-V176 PolarHBondContact O-N 2.73Å; V176-K179 PolarHBondContact O-N 3.01Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å
177S92.3Very high89.3Confident13 Ų1376.6 Ų76.69%0.09136%0.359CS..Hα-helixtrans-68.6-39.1-179.659.50000112.5Y173 R174 Q180 M181Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å; R174-S177 PolarHBondContact O-OG 2.81Å; S177-Q180 PolarHBondContact O-N 2.72Å; S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å
178Q90.8Very high88Confident125 Ų12580.9 Ų80.958%0.58438%0.38SS*.Hα-helixtrans-61.3-43.5174-75171.68.600111.8R174 M181 S182R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å; Q178-M181 PolarHBondContact O-N 3.44Å; Q178-S182 PolarHBondContact O-N 3.45Å
179K88.8Confident86.1Confident119 Ų11988.4 Ų88.452%0.51742%0.417SS..Hα-helixtrans-64.1-42.3176.9-171.3176.71791800112.5I175 V176 M181 S182 D183I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å; V176-K179 PolarHBondContact O-N 3.01Å; K179-M181 PolarHBondContact O-N 3.19Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; K179-D183 PolarHBondContact O-N 3.32Å
180Q86.1Confident83.9Confident78 Ų7892.1 Ų92.136%0.36444%0.443SS..Hα-helixtrans-62.5-32.5175.2-73.7-179.8-8.400112.7Y10 V176 S177 R184Y10-Q180 PolarHBondContact OH-OE1 2.77Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å; S177-Q180 PolarHBondContact O-N 2.72Å; Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å
181M82.7Confident81.8Confident106 Ų10696.6 Ų96.652%0.52247%0.473SS..Hα-helixtrans-73-37.3176.1-74.2-172.8-95.600112.8S177 Q178 K179 R185S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å; Q178-M181 PolarHBondContact O-N 3.44Å; K179-M181 PolarHBondContact O-N 3.19Å; M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å
182S83.9Confident79.6Confident51 Ų5198.5 Ų98.536%0.35749%0.493SS..Hα-helixtrans-66.3-46.3175.154.80000111.7Q178 K179 R184 R185 E186Q178-S182 PolarHBondContact O-N 3.45Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å
183D82.9Confident77.1Confident71 Ų71105.3 Ų105.338%0.3853%0.529SS..Hα-helixtrans-63.8-33.6-176.5-62.6-5.9000111.7K179 N187K179-D183 PolarHBondContact O-N 3.32Å; D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å
184R78.1Confident74.9Confident174 Ų174111 Ų11166%0.65756%0.561SS**Hα-helixtrans-67.1-40.7174.2-75.6177.9-176.1-177.82.8112.6Q180 S182 N187 D188Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; R184-N187 PolarHBondContact O-N 3Å; R184-D188 PolarHBondContact O-N 3.09Å
185R75.8Confident72.7Confident182 Ų182109.9 Ų109.969%0.68757%0.569SS**Hα-helixtrans-66.3-37.5179.1-71.6177.7-179.3-173.91.3112.1M181 S182 M189M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å
186E73.7Confident71.2Confident137 Ų137111.2 Ų111.264%0.6458%0.581SS**Hα-helixtrans-67.9-39.8177-69.4-177.4178.300112S182 M189 S190S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; E186-S190 PolarHBondContact O-N 3.14Å
187N70.3Confident69.1Low119 Ų119114.4 Ų114.464%0.63660%0.603SS**Hα-helixtrans-66.8-39.9175.8-74-31000112.5D183 R184 M189 S190D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å; R184-N187 PolarHBondContact O-N 3Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; N187-S190 PolarHBondContact O-N 3.03Å
188D70.7Confident67.5Low147 Ų147121.2 Ų121.279%0.78664%0.636SS**Hα-helixtrans-68.7-22.2175.8-75.5-18000112.9R184R184-D188 PolarHBondContact O-N 3.09Å
189M59Low65.6Low158 Ų158123.4 Ų123.478%0.77865%0.646SS**THydrogen-bonded Turntrans-935.7177.9-72.3177.881.500114.2R185 E186 N187 P191R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å
190S51.8Low64.2Low79 Ų79123.3 Ų123.355%0.55266%0.655SS**SBendtrans-65.8115.7170.7-68.20000109.7E186 N187 S192E186-S190 PolarHBondContact O-N 3.14Å; N187-S190 PolarHBondContact O-N 3.03Å; S190-S192 PolarHBondContact O-N 2.69Å
191P53.9Low62.6Low120 Ų120124.1 Ų124.178%0.77967%0.667SS**  trans-66.5116.4-174.625.4-31.7000109.4M189 N193M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å; P191-N193 PolarHBondContact O-N 3.1Å
192S51.3Low61Low102 Ų102124.8 Ų124.871%0.71368%0.679SS**  trans-52.4111.6161.4-810000107.7S190 N194S190-S192 PolarHBondContact O-N 2.69Å; S192-N194 PolarHBondContact O-N 2.84Å
193N46.4Very low59.4Low145 Ų145128.9 Ų128.978%0.77570%0.702SS**  trans-66.478.9175.8-134.95.8000107.7P191 V195P191-N193 PolarHBondContact O-N 3.1Å; N193-V195 PolarHBondContact O-N 3.12Å
194N51.3Low57.7Low144 Ų144131.7 Ų131.777%0.7772%0.723SS**  trans-73.562.4167-80.3-16.8000108.6S192 V196S192-N194 PolarHBondContact O-N 2.84Å; N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å
195V49.2Very low56Low110 Ų110132.2 Ų132.267%0.66773%0.733SS**  trans-81.386161.3-176.20000105.8N193 P197N193-V195 PolarHBondContact O-N 3.12Å; V195-P197 WeakPolarHBondContact O-CD 3.38Å
196V63.4Low54.5Low113 Ų113130.5 Ų130.569%0.68574%0.737SS**  trans-74.6121163.9-177.50000106.5N194 I198N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å; V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å
197P48.8Very low52.8Low110 Ų110133 Ų13371%0.71475%0.746SS**  trans-61.7116173.3-18.631.1000108.9V195 H199V195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-H199 PolarHBondContact O-N 3.16Å
198I58.4Low51.6Low155 Ų155132.6 Ų132.680%0.79575%0.749SS**  trans-71.399171-60.4172000106.6V196 V200V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å; I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å
199H51.3Low50.2Low172 Ų172134.6 Ų134.680%0.79675%0.751SS**  trans-79.8103.1169-151.6-64.7000107.4P197 P201P197-H199 PolarHBondContact O-N 3.16Å; H199-P201 WeakPolarHBondContact O-CD 3.31Å
200V59.4Low49.6Very low116 Ų116133.6 Ų133.670%0.70375%0.754SS**  trans-82.8109171.7-173.60000107.4I198I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å
201P51.5Low49Very low95 Ų95138.8 Ų138.862%0.61777%0.769SS**  trans-69.5143171.727.8-31.6000109.9H199 T203H199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-T203 PolarHBondContact O-N 3.19Å
202P49.5Very low48.2Very low120 Ų120138.1 Ų138.178%0.77977%0.766SS**  trans-62.9125.1178.623.6-30.5000110.2T204P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å
203T51.1Low47.6Very low137 Ų137138.3 Ų138.384%0.8477%0.766SS**  trans-56.1112.8167.129.80000109P201 E205P201-T203 PolarHBondContact O-N 3.19Å; T203-E205 PolarHBondContact O-N 3.38Å
204T47.7Very low47.3Very low131 Ų131139.6 Ų139.680%0.80477%0.768SS**  trans-61.8104.9171.748.10000108.7P202 N206P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å; T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å
205E41.9Very low46.7Very low185 Ų185139.5 Ų139.586%0.86477%0.767SS**  trans-58.2108.7160.2-69.2-178.1165.300107.8T203T203-E205 PolarHBondContact O-N 3.38Å
206N43.2Very low46.6Very low145 Ų145145.5 Ų145.578%0.77579%0.793SS**  trans-148.7105.5162-115.7-25.8000112T204T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å
207K39.6Very low45.8Very low191 Ų191147.1 Ų147.183%0.8380%0.798SS**  trans103.2150.2156.2-61.9-175.4173.91790117
208P44.7Very low45.6Very low109 Ų109149.1 Ų149.171%0.70880%0.803SS**  -135.9162.7-58.534.3-16.6000112.7
209K41.2Very low44.9Very low189 Ų189148.7 Ų148.782%0.82280%0.803SS**  trans49.1103150.3-70.9-176.1175.1-175.20118.4
210V45.5Very low44.5Very low138 Ų138147.4 Ų147.484%0.83680%0.804SS**  trans-125.1114.9139.1-174.70000108
211Q39.8Very low43.6Very low187 Ų187149.3 Ų149.387%0.87481%0.81SS**  trans-86.4111.2-179.1-175.3167.5-7.500107.3
212C36.4Very low43.1Very low106 Ų106152.9 Ų152.972%0.71682%0.823SS**  trans-114.2118178-92.60000111.9
213C40.1Very low42.6Very low107 Ų107155.3 Ų155.372%0.72383%0.826SS**  trans61.2107138.6-54.90000121.2
214Q38.4Very low42Very low172 Ų172156.7 Ų156.780%0.80483%0.825SS**  30.7123.9117.7-66.2-179.8-27.900118.7
215N39.4Very low41.5Very low141 Ų141158.8 Ų158.875%0.75483%0.826SS**  -179.1129102.5-95.1-17.7000113.3
216I47.7Very low41.4Very low236 Ų236156.5 Ų156.5100%1.2182%0.823SS**  trans660157.9-50.2170.8000117.5

Retrieved 216 of 216 residues in 47.5 ms (Link to these results)

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