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Adenylate kinase

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism.

AlphaFold DB , UniProt , Accession P25824, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 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
1M51.9Low74Confident217 Ų21791.7 Ų91.7100%1.06945%0.452SS*.  0148.40-77.7-177.7169.900108.2
2T60.7Low75.6Confident61 Ų6184.1 Ų84.137%0.37441%0.414SS..  trans-60.5132.9173.3-44.60000110Q4 A7 K108 E109 V110T2-Q4 PolarHBondContact O-N 3.16Å; T2-A7 HydrophobicContact CG2-CB 4.1Å; T2-K108 PolarHBondContact OG1-O 3.41Å; T2-E109 WeakPolarHBondContact CA-O 3.44Å; T2-V110 WeakPolarHBondContact CG2-O 3.32Å
3D68.5Low77.1Confident47 Ų4777.6 Ų77.625%0.25138%0.382SS..  trans-65.3117.1172.3-168.1-48.8000108.9K5 L6 A7 I82 E109D3-K5 PolarHBondContact O-N 2.7Å; D3-K5 VanDerWaalsContact O-N 3.08Å; D3-K5 VanDerWaalsContact OD1-CB 3.28Å; D3-K5 WeakPolarHBondContact OD1-CB 3.35Å; D3-K5 PolarHBondContact OD1-N 3.21Å; D3-L6 HydrophobicContact CB-CB 4.21Å; D3-L6 HydrophobicContact CB-CD1 3.84Å; D3-L6 HydrophobicContact CB-CG 4.13Å; D3-L6 PolarHBondContact O-N 3.48Å; D3-A7 PolarHBondContact O-N 3.45Å; D3-I82 WeakPolarHBondContact OD2-CD1 3.46Å; D3-E109 PolarHBondContact N-O 2.95Å
4Q71Confident78.4Confident186 Ų18672.1 Ų72.187%0.86936%0.355SS*.THydrogen-bonded Turntrans-58.2-26.6-176.4-72.7-176.1-700112.7T2T2-Q4 PolarHBondContact O-N 3.16Å
5K72.5Confident79.6Confident149 Ų14967.4 Ų67.465%0.64833%0.332SS*.THydrogen-bonded Turntrans-71-34.5176.6-56.7-177.8176.8176.80111.3D3 L85D3-K5 PolarHBondContact O-N 2.7Å; D3-K5 VanDerWaalsContact O-N 3.08Å; D3-K5 VanDerWaalsContact OD1-CB 3.28Å; D3-K5 WeakPolarHBondContact OD1-CB 3.35Å; D3-K5 PolarHBondContact OD1-N 3.21Å; K5-L85 HydrophobicContact CB-CD1 3.38Å; K5-L85 WeakPolarHBondContact O-CD1 3.48Å
6L79.6Confident80.6Confident0 Ų063.6 Ų63.60%032%0.316CS..THydrogen-bonded Turntrans-89.2-17.4-177.1-62.9168.9000113.3D3 K8 A9 M81 I82 L85 V110 C111D3-L6 HydrophobicContact CB-CB 4.21Å; D3-L6 HydrophobicContact CB-CD1 3.84Å; D3-L6 HydrophobicContact CB-CG 4.13Å; D3-L6 PolarHBondContact O-N 3.48Å; L6-K8 PolarHBondContact O-N 3.2Å; L6-A9 WeakPolarHBondContact O-CB 2.89Å; L6-A9 PolarHBondContact O-N 3.45Å; L6-M81 HydrophobicContact CD2-CB 3.53Å; L6-M81 HydrophobicContact CD2-CE 4.15Å; L6-I82 HydrophobicContact CD1-CD1 4.36Å; L6-I82 HydrophobicContact CD1-CG1 3.88Å; L6-I82 HydrophobicContact CD2-CG1 4.29Å; L6-I82 HydrophobicContact CG-CG1 4.15Å; L6-L85 HydrophobicContact CD2-CD1 3.51Å; L6-L85 HydrophobicContact CD2-CD2 3.97Å; L6-L85 HydrophobicContact CD2-CG 3.74Å; L6-L85 HydrophobicContact CG-CD1 3.98Å; L6-V110 HydrophobicContact CB-CG1 4.13Å; L6-V110 HydrophobicContact CD1-CG1 3.82Å; L6-V110 HydrophobicContact CG-CG1 4.46Å; L6-C111 WeakPolarHBondContact O-CB 3.26Å
7A75.4Confident81.4Confident49 Ų4959.9 Ų59.941%0.40530%0.298SS..THydrogen-bonded Turntrans-57-25.9-173.300000114.9T2 D3T2-A7 HydrophobicContact CG2-CB 4.1Å; D3-A7 PolarHBondContact O-N 3.45Å
8K76.9Confident82Confident192 Ų19257.5 Ų57.584%0.83529%0.287SS*.THydrogen-bonded Turntrans-95.3-1.8176.8-64.8-175.4-179.8179.40113.9L6L6-K8 PolarHBondContact O-N 3.2Å
9A82.1Confident82.6Confident13 Ų1354.8 Ų54.811%0.10728%0.276CS..  trans-65.2143.6174.600000109.8L6 M81L6-A9 WeakPolarHBondContact O-CB 2.89Å; L6-A9 PolarHBondContact O-N 3.45Å; A9-M81 HydrophobicContact CB-CE 4.48Å
10K85.8Confident83.3Confident95 Ų9552.2 Ų52.241%0.41326%0.262SS..EExtended strand (participates in β ladder)trans-101.2122.5168.7-68.3-179.7-177-176.60107.2V89 I90 S91 L114K10-V89 WeakPolarHBondContact CA-O 3.48Å; K10-V89 HydrophobicContact CB-CG1 4.15Å; K10-V89 WeakPolarHBondContact CB-O 3.3Å; K10-V89 HydrophobicContact CD-CG1 3.87Å; K10-V89 HydrophobicContact CG-CG1 3.77Å; K10-V89 PolarHBondContact N-O 3.24Å; K10-V89 VanDerWaalsContact O-O 3.13Å; K10-I90 HydrophobicContact CB-CG1 3.74Å; K10-I90 HydrophobicContact CD-CG1 4.14Å; K10-I90 CarbonylContact O-C 3.59Å; K10-I90 WeakPolarHBondContact O-CA 3.26Å; K10-S91 PolarHBondContact O-N 3.4Å; K10-L114 HydrophobicContact CB-CD2 4.35Å; K10-L114 HydrophobicContact CD-CD2 4.45Å
11V90.1Very high83.8Confident0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-119.6130.9-179.9174.20000109.5F13 M81 S91 F106 C111 L114V11-F13 HydrophobicContact CG1-CD1 3.84Å; V11-F13 HydrophobicContact CG1-CE1 3.69Å; V11-M81 HydrophobicContact CG2-CE 3.55Å; V11-S91 WeakPolarHBondContact CA-O 3.12Å; V11-F106 HydrophobicContact CB-CE1 4.11Å; V11-F106 HydrophobicContact CB-CZ 4.25Å; V11-F106 HydrophobicContact CG1-CE1 3.93Å; V11-F106 HydrophobicContact CG1-CZ 3.86Å; V11-F106 HydrophobicContact CG2-CE1 4.17Å; V11-F106 HydrophobicContact CG2-CZ 3.96Å; V11-C111 WeakPolarHBondContact CG2-SG 3.38Å; V11-L114 WeakPolarHBondContact O-CB 3.41Å; V11-L114 PolarHBondContact O-N 3.24Å
12I93.1Very high85.7Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-107.5121.3172.3-59.7171.2000107V14 I90 S91 L92 S93 L114 C115 I117 L191 V196I12-V14 HydrophobicContact CG2-CG2 4.28Å; I12-I90 HydrophobicContact CD1-CG2 3.88Å; I12-I90 HydrophobicContact CG1-CG2 4.25Å; I12-S91 PolarHBondContact N-O 3.16Å; I12-S91 VanDerWaalsContact N-O 3.1Å; I12-L92 HydrophobicContact CB-CD2 3.91Å; I12-L92 HydrophobicContact CD1-CD2 4.26Å; I12-L92 HydrophobicContact CG2-CD2 4.21Å; I12-S93 PolarHBondContact O-N 2.76Å; I12-L114 HydrophobicContact CD1-CD2 4.39Å; I12-L114 HydrophobicContact CG1-CB 4.43Å; I12-L114 HydrophobicContact CG1-CD2 4.12Å; I12-C115 WeakPolarHBondContact CA-O 3.17Å; I12-I117 HydrophobicContact CG2-CD1 3.83Å; I12-I117 HydrophobicContact CG2-CG1 3.84Å; I12-L191 HydrophobicContact CD1-CD2 3.91Å; I12-V196 HydrophobicContact CD1-CG2 4.26Å
13F95.2Very high87.1Confident0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-80.6131.9171.1-64.6-28.2000109.8V11 L15 Y96 P97 F106 C113 C115 V116 I117 Y165V11-F13 HydrophobicContact CG1-CD1 3.84Å; V11-F13 HydrophobicContact CG1-CE1 3.69Å; F13-L15 HydrophobicContact CB-CG 4.49Å; F13-Y96 HydrophobicContact CE1-CD1 4.14Å; F13-Y96 HydrophobicContact CE1-CE1 4.49Å; F13-Y96 HydrophobicContact CZ-CD1 4.46Å; F13-Y96 HydrophobicContact CZ-CE1 4.44Å; F13-P97 HydrophobicContact CD2-CG 4.08Å; F13-P97 HydrophobicContact CE2-CG 4.16Å; F13-F106 AromaticContact CE1-CD1 3.84Å; F13-F106 HydrophobicContact CE1-CD1 3.84Å; F13-F106 AromaticContact CE1-CE1 3.85Å; F13-F106 HydrophobicContact CE1-CE1 3.85Å; F13-F106 HydrophobicContact CE1-CG 4.2Å; F13-F106 HydrophobicContact CE1-CZ 4.21Å; F13-F106 HydrophobicContact CZ-CB 4.25Å; F13-F106 AromaticContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD1 3.47Å; F13-F106 VanDerWaalsContact CZ-CD1 3.47Å; F13-F106 AromaticContact CZ-CE1 3.91Å; F13-F106 HydrophobicContact CZ-CE1 3.91Å; F13-F106 AromaticContact CZ-CG 3.87Å; F13-F106 HydrophobicContact CZ-CG 3.87Å; F13-C113 HydrophobicContact CD2-CB 3.89Å; F13-C113 WeakPolarHBondContact CD2-SG 3.46Å; F13-C113 HydrophobicContact CE2-CB 3.65Å; F13-C113 HydrophobicContact CZ-CB 4.17Å; F13-C115 PolarHBondContact N-O 3.13Å; F13-V116 HydrophobicContact CB-CG1 4.43Å; F13-V116 HydrophobicContact CB-CG2 4.17Å; F13-V116 HydrophobicContact CD2-CG2 4.34Å; F13-V116 CarbonylContact O-C 3.57Å; F13-V116 VanDerWaalsContact O-CA 3.28Å; F13-V116 WeakPolarHBondContact O-CA 3.43Å; F13-I117 PolarHBondContact O-N 3.38Å; F13-Y165 AromaticContact CD2-CE2 3.99Å; F13-Y165 HydrophobicContact CD2-CE2 3.99Å; F13-Y165 HydrophobicContact CE2-CE2 4.02Å; F13-Y165 AromaticContact CE2-CZ 3.86Å
14V95.5Very high88.3Confident0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-114.8105.6179.2-1740000109.4I12 K22 L92 S93 I94 R95 I117 F119I12-V14 HydrophobicContact CG2-CG2 4.28Å; V14-K22 HydrophobicContact CG1-CB 4.18Å; V14-K22 HydrophobicContact CG1-CD 4.39Å; V14-K22 HydrophobicContact CG1-CG 3.98Å; V14-K22 WeakPolarHBondContact O-CD 3.47Å; V14-L92 HydrophobicContact CG2-CB 4.43Å; V14-L92 HydrophobicContact CG2-CD2 4.08Å; V14-S93 PolarHBondContact N-O 2.93Å; V14-S93 VanDerWaalsContact N-O 3.09Å; V14-I94 HydrophobicContact CB-CG1 4.28Å; V14-R95 PolarHBondContact O-N 3.42Å; V14-I117 HydrophobicContact CG2-CD1 4.33Å; V14-F119 HydrophobicContact CG1-CD2 3.97Å; V14-F119 HydrophobicContact CG1-CE2 3.58Å
15L95.9Very high89.4Confident2 Ų231.1 Ų31.11%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-114.4170.7-172-56.5-171.9000112.2F13 P97 V116 I117 F119 V161 I162F13-L15 HydrophobicContact CB-CG 4.49Å; L15-P97 WeakPolarHBondContact CD2-O 3.27Å; L15-V116 HydrophobicContact CB-CG1 4.23Å; L15-V116 HydrophobicContact CD1-CG1 3.66Å; L15-V116 HydrophobicContact CG-CG1 3.81Å; L15-I117 PolarHBondContact N-O 2.78Å; L15-F119 PolarHBondContact O-N 3.02Å; L15-V161 HydrophobicContact CD1-CB 4.27Å; L15-V161 HydrophobicContact CD1-CG1 4.18Å; L15-I162 HydrophobicContact CB-CG1 4.3Å; L15-I162 HydrophobicContact CD1-CG1 3.86Å
16G95.1Very high90.3Very high7 Ų724 Ų247%0.07214%0.141CC..EExtended strand (participates in β ladder)trans133.3161.4-173.300000111K22 F119G16-K22 VanDerWaalsContact C-NZ 3.34Å; G16-K22 WeakPolarHBondContact O-CE 3.44Å; G16-K22 PolarHBondContact O-NZ 3.39Å; G16-F119 WeakPolarHBondContact CA-O 3.27Å
17G94.2Very high90.8Very high1 Ų129.3 Ų29.31%0.0117%0.166CC..  trans-67.7164.5-174.600000114.3G19 S20 K22 M126 F154G17-G19 PolarHBondContact O-N 3.34Å; G17-S20 VanDerWaalsContact O-CB 3.23Å; G17-S20 WeakPolarHBondContact O-CB 3.42Å; G17-S20 PolarHBondContact O-N 2.91Å; G17-S20 VanDerWaalsContact O-N 3.08Å; G17-S20 PolarHBondContact O-OG 3.19Å; G17-K22 PolarHBondContact O-NZ 3.22Å; G17-M126 VanDerWaalsContact C-SD 3.56Å; G17-M126 WeakPolarHBondContact CA-SD 3.49Å; G17-F154 VanDerWaalsContact N-CZ 3.29Å
18P92.2Very high91.7Very high16 Ų1629.4 Ų29.410%0.10416%0.157CC..THydrogen-bonded Turntrans-57.1132.6174.829.2-36.2000109.2S20 M126 L130 R150 F151P18-S20 VanDerWaalsContact C-N 3.35Å; P18-M126 VanDerWaalsContact O-CB 3.3Å; P18-M126 WeakPolarHBondContact O-CB 3.29Å; P18-M126 VanDerWaalsContact O-SD 3.39Å; P18-L130 HydrophobicContact CB-CD1 3.84Å; P18-L130 HydrophobicContact CB-CD2 4.22Å; P18-L130 HydrophobicContact CG-CD1 4.04Å; P18-R150 HydrophobicContact CB-CB 4.26Å; P18-R150 HydrophobicContact CG-CB 3.88Å; P18-F151 HydrophobicContact CG-CD1 3.6Å; P18-F151 HydrophobicContact CG-CE1 3.57Å; P18-F151 HydrophobicContact CG-CG 4.34Å; P18-F151 HydrophobicContact CG-CZ 4.33Å
19G93.8Very high92.4Very high7 Ų720.2 Ų20.27%0.07212%0.117CC..THydrogen-bonded Turntrans84.4-0.7-176.600000115.7G17 G21 R129G17-G19 PolarHBondContact O-N 3.34Å; G19-G21 PolarHBondContact O-N 3.43Å; G19-G21 VanDerWaalsContact O-N 3.12Å; G19-R129 WeakPolarHBondContact O-CD 3.43Å
20S95.8Very high92.7Very high1 Ų121.8 Ų21.81%0.00713%0.125CC..SBendtrans-69.2-6.2-17971.40000116.3G17 P18 K22 A176G17-S20 VanDerWaalsContact O-CB 3.23Å; G17-S20 WeakPolarHBondContact O-CB 3.42Å; G17-S20 PolarHBondContact O-N 2.91Å; G17-S20 VanDerWaalsContact O-N 3.08Å; G17-S20 PolarHBondContact O-OG 3.19Å; P18-S20 VanDerWaalsContact C-N 3.35Å; S20-K22 PolarHBondContact OG-NZ 3.33Å; S20-A176 WeakPolarHBondContact O-CB 3.49Å
21G93.9Very high92.9Very high26 Ų2624 Ų2427%0.26814%0.137SC..SBendtrans95.32179.700000115.9G19 G23 T24 Q25G19-G21 PolarHBondContact O-N 3.43Å; G19-G21 VanDerWaalsContact O-N 3.12Å; G21-G23 VanDerWaalsContact C-N 3.33Å; G21-G23 PolarHBondContact O-N 2.97Å; G21-T24 PolarHBondContact O-N 3.5Å; G21-Q25 PolarHBondContact O-N 3.5Å
22K92.8Very high92.9Very high8 Ų829.3 Ų29.34%0.03516%0.16CC..Hα-helixtrans-42.7-52.5177.6-70.1178.6-66-63.90114.5V14 G16 G17 S20 T24 Q25 C26 I94 F119V14-K22 HydrophobicContact CG1-CB 4.18Å; V14-K22 HydrophobicContact CG1-CD 4.39Å; V14-K22 HydrophobicContact CG1-CG 3.98Å; V14-K22 WeakPolarHBondContact O-CD 3.47Å; G16-K22 VanDerWaalsContact C-NZ 3.34Å; G16-K22 WeakPolarHBondContact O-CE 3.44Å; G16-K22 PolarHBondContact O-NZ 3.39Å; G17-K22 PolarHBondContact O-NZ 3.22Å; S20-K22 PolarHBondContact OG-NZ 3.33Å; K22-T24 PolarHBondContact O-N 3.01Å; K22-Q25 PolarHBondContact O-N 3.43Å; K22-C26 WeakPolarHBondContact O-CB 3.21Å; K22-C26 PolarHBondContact O-N 3.45Å; K22-C26 PolarHBondContact O-SG 3.2Å; K22-I94 HydrophobicContact CB-CG2 4.38Å; K22-F119 HydrophobicContact CB-CD2 4.46Å; K22-F119 HydrophobicContact CG-CD2 3.77Å; K22-F119 HydrophobicContact CG-CE2 4.44Å
23G89.9Confident92.6Very high22 Ų2230.4 Ų30.423%0.22717%0.165CC..Hα-helixtrans-58.5-51.6-17600000111.8G21 Q25 C26 E27G21-G23 VanDerWaalsContact C-N 3.33Å; G21-G23 PolarHBondContact O-N 2.97Å; G23-Q25 VanDerWaalsContact C-N 3.32Å; G23-Q25 PolarHBondContact O-N 3.2Å; G23-C26 PolarHBondContact O-N 3.21Å; G23-E27 WeakPolarHBondContact O-CG 3.49Å; G23-E27 PolarHBondContact O-N 3.04Å
24T92.9Very high92.1Very high62 Ų6236.9 Ų36.938%0.3820%0.195SC..Hα-helixtrans-58.3-41.8177.1-49.80000112.5G21 K22 E27 K28 V180G21-T24 PolarHBondContact O-N 3.5Å; K22-T24 PolarHBondContact O-N 3.01Å; T24-E27 PolarHBondContact O-N 3.28Å; T24-K28 PolarHBondContact O-N 3.3Å; T24-V180 HydrophobicContact CG2-CG1 3.49Å; T24-V180 VanDerWaalsContact CG2-CG1 3.49Å; T24-V180 HydrophobicContact CG2-CG2 4.21Å
25Q94.8Very high91.6Very high4 Ų437.5 Ų37.52%0.01920%0.198CC..Hα-helixtrans-69.9-36.6179-67.6-62-3100112.2G21 K22 G23 K28 L29 F119 V180 I183 F184G21-Q25 PolarHBondContact O-N 3.5Å; K22-Q25 PolarHBondContact O-N 3.43Å; G23-Q25 VanDerWaalsContact C-N 3.32Å; G23-Q25 PolarHBondContact O-N 3.2Å; Q25-K28 PolarHBondContact O-N 3.3Å; Q25-L29 WeakPolarHBondContact O-CG 3.46Å; Q25-L29 PolarHBondContact O-N 2.84Å; Q25-F119 HydrophobicContact CB-CE1 4.01Å; Q25-F119 HydrophobicContact CB-CE2 3.95Å; Q25-F119 HydrophobicContact CB-CZ 3.38Å; Q25-F119 HydrophobicContact CG-CD1 4.45Å; Q25-F119 HydrophobicContact CG-CE1 3.65Å; Q25-F119 HydrophobicContact CG-CE2 4.36Å; Q25-F119 HydrophobicContact CG-CZ 3.58Å; Q25-V180 PolarHBondContact NE2-O 3.19Å; Q25-I183 VanDerWaalsContact CD-CG2 3.47Å; Q25-I183 HydrophobicContact CG-CG2 3.9Å; Q25-F184 VanDerWaalsContact OE1-CA 3.24Å
26C90.8Very high91Very high0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-69.9-35.2174.5-67.90000113.1K22 G23 K28 L29 V30 L92 I94K22-C26 WeakPolarHBondContact O-CB 3.21Å; K22-C26 PolarHBondContact O-N 3.45Å; K22-C26 PolarHBondContact O-SG 3.2Å; G23-C26 PolarHBondContact O-N 3.21Å; C26-K28 VanDerWaalsContact C-N 3.28Å; C26-K28 PolarHBondContact O-N 3.29Å; C26-L29 WeakPolarHBondContact O-CB 3.37Å; C26-L29 PolarHBondContact O-N 2.75Å; C26-L29 VanDerWaalsContact O-N 3.15Å; C26-V30 VanDerWaalsContact O-CG2 3.27Å; C26-V30 WeakPolarHBondContact O-CG2 3.41Å; C26-V30 PolarHBondContact O-N 2.87Å; C26-L92 HydrophobicContact CB-CD1 3.8Å; C26-I94 HydrophobicContact CB-CD1 3.28Å; C26-I94 HydrophobicContact CB-CG1 4.08Å; C26-I94 WeakPolarHBondContact SG-CD1 3.44Å; C26-I94 WeakPolarHBondContact SG-CG1 3.2Å
27E91.5Very high90.5Very high111 Ų11141.1 Ų41.152%0.51921%0.213SC..Hα-helixtrans-57.1-43.9171.1-73.4162-162.300110.8G23 T24 V30 Q31G23-E27 WeakPolarHBondContact O-CG 3.49Å; G23-E27 PolarHBondContact O-N 3.04Å; T24-E27 PolarHBondContact O-N 3.28Å; E27-V30 PolarHBondContact O-N 3.35Å; E27-Q31 VanDerWaalsContact O-CG 3.29Å; E27-Q31 WeakPolarHBondContact O-CG 3.2Å; E27-Q31 PolarHBondContact O-N 3.34Å
28K93.8Very high90.2Very high50 Ų5041.1 Ų41.122%0.21721%0.213CC..Hα-helixtrans-63.9-40.7173.6-71.8-172.5169.9-82.20112.9T24 Q25 C26 V30 Q31 K32 V180 D181 F184T24-K28 PolarHBondContact O-N 3.3Å; Q25-K28 PolarHBondContact O-N 3.3Å; C26-K28 VanDerWaalsContact C-N 3.28Å; C26-K28 PolarHBondContact O-N 3.29Å; K28-V30 PolarHBondContact O-N 3.16Å; K28-Q31 PolarHBondContact O-N 2.98Å; K28-K32 WeakPolarHBondContact O-CB 3.35Å; K28-K32 PolarHBondContact O-N 2.89Å; K28-V180 HydrophobicContact CD-CG1 3.87Å; K28-D181 WeakPolarHBondContact CE-OD1 3.38Å; K28-D181 IonicContact NZ-OD1 2.68Å; K28-D181 PolarHBondContact NZ-OD1 3.32Å; K28-F184 HydrophobicContact CB-CD2 3.36Å; K28-F184 HydrophobicContact CB-CE2 3.4Å; K28-F184 VanDerWaalsContact CB-CE2 3.4Å; K28-F184 HydrophobicContact CB-CG 3.95Å; K28-F184 HydrophobicContact CB-CZ 4.02Å; K28-F184 HydrophobicContact CD-CB 3.71Å; K28-F184 HydrophobicContact CD-CD1 4.25Å; K28-F184 HydrophobicContact CD-CD2 3.93Å; K28-F184 HydrophobicContact CD-CG 3.68Å; K28-F184 HydrophobicContact CG-CD2 4.29Å; K28-F184 HydrophobicContact CG-CG 4.46Å
29L90.8Very high90.1Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-62.6-41.1175.8-72.3170.7000112.2Q25 C26 K32 F33 F35 L92 I117 F184 V187 L191Q25-L29 WeakPolarHBondContact O-CG 3.46Å; Q25-L29 PolarHBondContact O-N 2.84Å; C26-L29 WeakPolarHBondContact O-CB 3.37Å; C26-L29 PolarHBondContact O-N 2.75Å; C26-L29 VanDerWaalsContact O-N 3.15Å; L29-K32 PolarHBondContact O-N 3.06Å; L29-F33 HydrophobicContact CD2-CD2 3.75Å; L29-F33 HydrophobicContact CD2-CE2 3.59Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.27Å; L29-F35 HydrophobicContact CB-CD2 4.31Å; L29-L92 HydrophobicContact CB-CD1 3.72Å; L29-L92 HydrophobicContact CD1-CD1 3.78Å; L29-L92 HydrophobicContact CD1-CD2 4.15Å; L29-L92 HydrophobicContact CG-CD1 4.41Å; L29-I117 HydrophobicContact CD1-CD1 4.1Å; L29-F184 HydrophobicContact CD2-CE2 3.86Å; L29-F184 HydrophobicContact CG-CE2 4.05Å; L29-V187 HydrophobicContact CD1-CG1 4.19Å; L29-V187 HydrophobicContact CD2-CG1 3.94Å; L29-V187 HydrophobicContact CG-CG1 4.41Å; L29-L191 HydrophobicContact CD1-CD1 4.46Å; L29-L191 HydrophobicContact CD2-CD1 3.56Å
30V88.3Confident89.9Confident46 Ų4640.6 Ų40.628%0.27921%0.209SC..Hα-helixtrans-62.8-45.4174.7172.60000110.5C26 E27 K28 K32 H34 H37C26-V30 VanDerWaalsContact O-CG2 3.27Å; C26-V30 WeakPolarHBondContact O-CG2 3.41Å; C26-V30 PolarHBondContact O-N 2.87Å; E27-V30 PolarHBondContact O-N 3.35Å; K28-V30 PolarHBondContact O-N 3.16Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.14Å; V30-H34 WeakPolarHBondContact O-CA 3.49Å; V30-H34 PolarHBondContact O-N 3.44Å; V30-H37 HydrophobicContact CG2-CB 3.37Å
31Q90.7Very high89.5Confident141 Ų14140.9 Ų40.966%0.65921%0.212SC*.Hα-helixtrans-62.5-40.2177.9-72.1169.54.500112.4E27 K28E27-Q31 VanDerWaalsContact O-CG 3.29Å; E27-Q31 WeakPolarHBondContact O-CG 3.2Å; E27-Q31 PolarHBondContact O-N 3.34Å; K28-Q31 PolarHBondContact O-N 2.98Å
32K90.2Very high89.2Confident111 Ų11143 Ų4348%0.48322%0.217SC..Hα-helixtrans-79.1-45.1-175.817559.2-177.4147.40113.4K28 L29 V30 F184K28-K32 WeakPolarHBondContact O-CB 3.35Å; K28-K32 PolarHBondContact O-N 2.89Å; L29-K32 PolarHBondContact O-N 3.06Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.14Å; K32-F184 HydrophobicContact CB-CE1 4.48Å; K32-F184 HydrophobicContact CB-CZ 3.74Å; K32-F184 HydrophobicContact CG-CZ 4.03Å
33F86.6Confident89.1Confident23 Ų2344.5 Ų44.510%0.10123%0.225CC..Hα-helixtrans-112.80.6-169.8-60.3-72.9000113.7L29 F35 N188 L191 V196 K197L29-F33 HydrophobicContact CD2-CD2 3.75Å; L29-F33 HydrophobicContact CD2-CE2 3.59Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.27Å; F33-F35 HydrophobicContact CB-CD1 3.59Å; F33-F35 HydrophobicContact CB-CD2 4.13Å; F33-F35 HydrophobicContact CB-CE1 3.19Å; F33-F35 HydrophobicContact CB-CE2 3.76Å; F33-F35 HydrophobicContact CB-CG 4.02Å; F33-F35 HydrophobicContact CB-CZ 3.22Å; F33-F35 HydrophobicContact CD1-CZ 4.16Å; F33-F35 AromaticContact CD2-CE2 3.72Å; F33-F35 HydrophobicContact CD2-CE2 3.72Å; F33-F35 AromaticContact CD2-CZ 3.68Å; F33-F35 HydrophobicContact CD2-CZ 3.68Å; F33-F35 AromaticContact CG-CE1 3.92Å; F33-F35 HydrophobicContact CG-CE1 3.92Å; F33-F35 AromaticContact CG-CE2 3.95Å; F33-F35 HydrophobicContact CG-CE2 3.95Å; F33-F35 AromaticContact CG-CZ 3.46Å; F33-F35 HydrophobicContact CG-CZ 3.46Å; F33-F35 VanDerWaalsContact CG-CZ 3.46Å; F33-F35 PolarHBondContact O-N 3.22Å; F33-N188 WeakPolarHBondContact CZ-OD1 3.45Å; F33-L191 HydrophobicContact CE2-CD1 4.43Å; F33-V196 HydrophobicContact CD1-CG1 4.45Å; F33-V196 HydrophobicContact CE1-CG1 4.28Å; F33-V196 HydrophobicContact CZ-CG1 4.32Å; F33-K197 WeakPolarHBondContact CE1-OXT 3.11Å
34H83.8Confident89.2Confident136 Ų13644 Ų4463%0.6322%0.218SC*.  trans55.333.8-177.7-55.7-90.7000112.8V30 I88V30-H34 WeakPolarHBondContact O-CA 3.49Å; V30-H34 PolarHBondContact O-N 3.44Å; H34-I88 WeakPolarHBondContact O-CD1 3.42Å
35F85.4Confident89.1Confident14 Ų1442.9 Ų42.96%0.06121%0.206CC..  trans-65.7150.6175.8-64.5-18.5000111.5L29 F33 I90 L92 V196L29-F35 HydrophobicContact CB-CD2 4.31Å; F33-F35 HydrophobicContact CB-CD1 3.59Å; F33-F35 HydrophobicContact CB-CD2 4.13Å; F33-F35 HydrophobicContact CB-CE1 3.19Å; F33-F35 HydrophobicContact CB-CE2 3.76Å; F33-F35 HydrophobicContact CB-CG 4.02Å; F33-F35 HydrophobicContact CB-CZ 3.22Å; F33-F35 HydrophobicContact CD1-CZ 4.16Å; F33-F35 AromaticContact CD2-CE2 3.72Å; F33-F35 HydrophobicContact CD2-CE2 3.72Å; F33-F35 AromaticContact CD2-CZ 3.68Å; F33-F35 HydrophobicContact CD2-CZ 3.68Å; F33-F35 AromaticContact CG-CE1 3.92Å; F33-F35 HydrophobicContact CG-CE1 3.92Å; F33-F35 AromaticContact CG-CE2 3.95Å; F33-F35 HydrophobicContact CG-CE2 3.95Å; F33-F35 AromaticContact CG-CZ 3.46Å; F33-F35 HydrophobicContact CG-CZ 3.46Å; F33-F35 VanDerWaalsContact CG-CZ 3.46Å; F33-F35 PolarHBondContact O-N 3.22Å; F35-I90 HydrophobicContact CD1-CB 3.65Å; F35-I90 HydrophobicContact CD1-CD1 4.36Å; F35-I90 HydrophobicContact CD1-CG2 3.82Å; F35-I90 HydrophobicContact CD2-CG2 3.94Å; F35-I90 HydrophobicContact CE1-CB 3.76Å; F35-I90 HydrophobicContact CE1-CD1 3.58Å; F35-I90 HydrophobicContact CE1-CG1 4.24Å; F35-I90 HydrophobicContact CE1-CG2 3.89Å; F35-I90 HydrophobicContact CE2-CG2 4.04Å; F35-I90 HydrophobicContact CG-CB 4.16Å; F35-I90 HydrophobicContact CG-CG2 3.87Å; F35-I90 HydrophobicContact CZ-CB 4.39Å; F35-I90 HydrophobicContact CZ-CD1 3.96Å; F35-I90 HydrophobicContact CZ-CG2 4.04Å; F35-L92 HydrophobicContact CB-CG 4.32Å; F35-L92 HydrophobicContact CD2-CD1 4.13Å; F35-L92 HydrophobicContact CD2-CD2 3.91Å; F35-L92 HydrophobicContact CD2-CG 3.92Å; F35-L92 HydrophobicContact CE2-CD2 4.44Å; F35-V196 HydrophobicContact CE1-CG1 4.29Å; F35-V196 HydrophobicContact CE2-CG1 4.14Å; F35-V196 HydrophobicContact CZ-CG1 3.37Å
36N83.8Confident88.9Confident28 Ų2845.4 Ų45.415%0.1523%0.227CC..EExtended strand (participates in β ladder)trans-70.7137160.2-70.8-32.2000108.4W84 I90 S91 L92N36-W84 HydrophobicContact CB-CD2 4.24Å; N36-W84 HydrophobicContact CB-CE3 3.55Å; N36-W84 HydrophobicContact CB-CZ3 3.71Å; N36-I90 PolarHBondContact N-O 3.41Å; N36-I90 VanDerWaalsContact N-O 3.16Å; N36-S91 CarbonylContact O-C 3.52Å; N36-S91 VanDerWaalsContact O-CA 3.31Å; N36-S91 WeakPolarHBondContact O-CA 3.4Å; N36-L92 PolarHBondContact O-N 2.8Å
37H85.5Confident88.9Confident56 Ų5647.6 Ų47.626%0.25924%0.238SC..EExtended strand (participates in β ladder)trans-120.1112.2179.9165.6-121.2000110.7V30 D42 W84 I94V30-H37 HydrophobicContact CG2-CB 3.37Å; H37-D42 IonicContact CE1-OD2 3.19Å; H37-W84 VanDerWaalsContact C-CH2 3.48Å; H37-W84 WeakPolarHBondContact O-CH2 3.21Å; H37-I94 VanDerWaalsContact CD2-CD1 3.48Å; H37-I94 WeakPolarHBondContact CD2-CD1 3.46Å; H37-I94 WeakPolarHBondContact NE2-CD1 3.39Å; H37-I94 VanDerWaalsContact NE2-CG1 3.29Å; H37-I94 WeakPolarHBondContact NE2-CG1 3.38Å
38L87.8Confident88.9Confident2 Ų244 Ų441%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-108.3122.4178.1-161.258000109.9L43 L77 A80 M81 W84 L92 S93 I94L38-L43 HydrophobicContact CD1-CD1 3.73Å; L38-L43 HydrophobicContact CD1-CD2 3.96Å; L38-L43 HydrophobicContact CD1-CG 4.06Å; L38-L43 HydrophobicContact CG-CD1 4.22Å; L38-L77 HydrophobicContact CD1-CD2 4.45Å; L38-L77 HydrophobicContact CD2-CB 4.16Å; L38-L77 HydrophobicContact CD2-CD2 3.34Å; L38-L77 HydrophobicContact CD2-CG 4.35Å; L38-L77 HydrophobicContact CG-CD2 3.54Å; L38-A80 HydrophobicContact CD1-CB 3.44Å; L38-A80 VanDerWaalsContact CD1-CB 3.44Å; L38-A80 HydrophobicContact CD2-CB 4.43Å; L38-M81 HydrophobicContact CD2-CG 3.58Å; L38-M81 HydrophobicContact CD2-SD 4.26Å; L38-W84 HydrophobicContact CB-CH2 3.66Å; L38-W84 HydrophobicContact CB-CZ3 3.62Å; L38-W84 HydrophobicContact CD1-CH2 3.34Å; L38-W84 HydrophobicContact CD1-CZ2 3.98Å; L38-W84 HydrophobicContact CD1-CZ3 3.8Å; L38-W84 HydrophobicContact CD2-CZ3 4.35Å; L38-W84 HydrophobicContact CG-CH2 4.05Å; L38-W84 HydrophobicContact CG-CZ3 4.13Å; L38-L92 CarbonylContact C-O 3.52Å; L38-L92 WeakPolarHBondContact CA-O 3.27Å; L38-L92 WeakPolarHBondContact CB-O 3.49Å; L38-L92 PolarHBondContact N-O 3.37Å; L38-S93 CarbonylContact O-C 3.58Å; L38-S93 VanDerWaalsContact O-CA 3.27Å; L38-S93 WeakPolarHBondContact O-CA 3.45Å; L38-I94 PolarHBondContact O-N 3.17Å
39S88.9Confident88.9Confident5 Ų549.2 Ų49.24%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-116.8124.1166.4-171.90000109.7G41 D42 L43 I94S39-G41 PolarHBondContact O-N 3.05Å; S39-G41 PolarHBondContact OG-N 3.1Å; S39-D42 VanDerWaalsContact CB-OD2 3.26Å; S39-D42 WeakPolarHBondContact CB-OD2 3.26Å; S39-D42 PolarHBondContact O-N 2.89Å; S39-L43 WeakPolarHBondContact O-CG 3.44Å; S39-L43 PolarHBondContact O-N 2.95Å; S39-I94 PolarHBondContact OG-O 3.43Å
40S89.3Confident89Confident6 Ų652.8 Ų52.84%0.04227%0.273CS..Hα-helixtrans-51.8-41.6170.157.60000110.6D42 L43 L44 I94 R95S40-D42 PolarHBondContact O-N 3.24Å; S40-L43 PolarHBondContact O-N 3.33Å; S40-L44 WeakPolarHBondContact O-CB 3.35Å; S40-L44 WeakPolarHBondContact O-CD1 3.45Å; S40-L44 WeakPolarHBondContact O-CG 3.38Å; S40-L44 PolarHBondContact O-N 3.27Å; S40-I94 PolarHBondContact N-O 2.98Å; S40-I94 PolarHBondContact OG-O 3.21Å; S40-R95 PolarHBondContact OG-O 2.99Å
41G87.8Confident89.1Confident7 Ų752.7 Ų52.77%0.07228%0.281CS..Hα-helixtrans-64.4-34.717700000114.3S39 R45S39-G41 PolarHBondContact O-N 3.05Å; S39-G41 PolarHBondContact OG-N 3.1Å; G41-R45 VanDerWaalsContact C-CZ 3.43Å; G41-R45 VanDerWaalsContact C-NH2 3.26Å; G41-R45 WeakPolarHBondContact O-CB 3.43Å; G41-R45 WeakPolarHBondContact O-CG 3.19Å; G41-R45 PolarHBondContact O-N 2.95Å; G41-R45 PolarHBondContact O-NE 2.69Å; G41-R45 PolarHBondContact O-NH1 3.3Å; G41-R45 PolarHBondContact O-NH2 2.61Å
42D88.8Confident89.2Confident70 Ų7047.3 Ų47.337%0.37426%0.26SS..Hα-helixtrans-74.8-40.8177-69.5-34.9000111.2H37 S39 S40 L44 R45 A46H37-D42 IonicContact CE1-OD2 3.19Å; S39-D42 VanDerWaalsContact CB-OD2 3.26Å; S39-D42 WeakPolarHBondContact CB-OD2 3.26Å; S39-D42 PolarHBondContact O-N 2.89Å; S40-D42 PolarHBondContact O-N 3.24Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.21Å; D42-R45 PolarHBondContact O-N 2.9Å; D42-R45 IonicContact OD1-CZ 3.75Å; D42-R45 IonicContact OD1-NE 2.78Å; D42-R45 PolarHBondContact OD1-NE 3.2Å; D42-R45 IonicContact OD1-NH2 3.83Å; D42-R45 PolarHBondContact OD1-NH2 3.47Å; D42-A46 WeakPolarHBondContact O-CB 3.42Å; D42-A46 PolarHBondContact O-N 3.04Å
43L89.8Confident89.3Confident41 Ų4146.9 Ų46.922%0.21527%0.268CS..Hα-helixtrans-58.8-45.5173.1-61.9175.8000111.5L38 S39 S40 R45 A46 E47 L76 L77 A80L38-L43 HydrophobicContact CD1-CD1 3.73Å; L38-L43 HydrophobicContact CD1-CD2 3.96Å; L38-L43 HydrophobicContact CD1-CG 4.06Å; L38-L43 HydrophobicContact CG-CD1 4.22Å; S39-L43 WeakPolarHBondContact O-CG 3.44Å; S39-L43 PolarHBondContact O-N 2.95Å; S40-L43 PolarHBondContact O-N 3.33Å; L43-R45 PolarHBondContact O-N 2.93Å; L43-A46 PolarHBondContact O-N 3.29Å; L43-E47 PolarHBondContact O-N 3.46Å; L43-L76 HydrophobicContact CB-CB 4.48Å; L43-L76 HydrophobicContact CD1-CB 4Å; L43-L77 HydrophobicContact CD1-CD2 3.86Å; L43-L77 HydrophobicContact CD1-CG 4.39Å; L43-A80 HydrophobicContact CD1-CB 4.34Å; L43-A80 HydrophobicContact CD2-CB 4.07Å
44L91.1Very high89.5Confident12 Ų1249.3 Ų49.36%0.06328%0.279CS..Hα-helixtrans-63.9-40.6177.3-67.4169.1000111.4S40 D42 E47 V48 L58 M62 V68 V73 L76S40-L44 WeakPolarHBondContact O-CB 3.35Å; S40-L44 WeakPolarHBondContact O-CD1 3.45Å; S40-L44 WeakPolarHBondContact O-CG 3.38Å; S40-L44 PolarHBondContact O-N 3.27Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.21Å; L44-E47 PolarHBondContact O-N 3.37Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.43Å; L44-V48 PolarHBondContact O-N 3.18Å; L44-L58 HydrophobicContact CD2-CD1 3.78Å; L44-L58 HydrophobicContact CD2-CD2 3.92Å; L44-L58 HydrophobicContact CD2-CG 4.44Å; L44-M62 HydrophobicContact CB-SD 3.97Å; L44-V68 HydrophobicContact CD1-CB 4.25Å; L44-V68 HydrophobicContact CD1-CG2 3.85Å; L44-V68 HydrophobicContact CD2-CB 4.33Å; L44-V68 HydrophobicContact CD2-CG1 3.92Å; L44-V68 HydrophobicContact CD2-CG2 4.1Å; L44-V73 HydrophobicContact CD1-CG2 4.48Å; L44-L76 HydrophobicContact CD2-CD1 3.78Å
45R91.1Very high89.9Confident38 Ų3842.9 Ų42.914%0.14325%0.249CC..Hα-helixtrans-66.1-38.5175.2-80.1-175.2-73.4-76.2-4.3112.6G41 D42 L43 E47 V48 Q49 M62G41-R45 VanDerWaalsContact C-CZ 3.43Å; G41-R45 VanDerWaalsContact C-NH2 3.26Å; G41-R45 WeakPolarHBondContact O-CB 3.43Å; G41-R45 WeakPolarHBondContact O-CG 3.19Å; G41-R45 PolarHBondContact O-N 2.95Å; G41-R45 PolarHBondContact O-NE 2.69Å; G41-R45 PolarHBondContact O-NH1 3.3Å; G41-R45 PolarHBondContact O-NH2 2.61Å; D42-R45 PolarHBondContact O-N 2.9Å; D42-R45 IonicContact OD1-CZ 3.75Å; D42-R45 IonicContact OD1-NE 2.78Å; D42-R45 PolarHBondContact OD1-NE 3.2Å; D42-R45 IonicContact OD1-NH2 3.83Å; D42-R45 PolarHBondContact OD1-NH2 3.47Å; L43-R45 PolarHBondContact O-N 2.93Å; R45-E47 VanDerWaalsContact C-N 3.34Å; R45-V48 WeakPolarHBondContact O-CB 3.4Å; R45-V48 PolarHBondContact O-N 2.87Å; R45-Q49 WeakPolarHBondContact O-CB 3.37Å; R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.4Å; R45-Q49 PolarHBondContact O-N 3.31Å; R45-M62 HydrophobicContact CG-CE 3.83Å
46A91.3Very high90.3Very high56 Ų5649.3 Ų49.346%0.46328%0.277SS..Hα-helixtrans-62.8-42.7174.500000110.9D42 L43 V48 Q49 S50D42-A46 WeakPolarHBondContact O-CB 3.42Å; D42-A46 PolarHBondContact O-N 3.04Å; L43-A46 PolarHBondContact O-N 3.29Å; A46-V48 PolarHBondContact O-N 3.21Å; A46-Q49 PolarHBondContact O-N 2.62Å; A46-S50 PolarHBondContact O-N 3.03Å; A46-S50 VanDerWaalsContact O-N 3.08Å
47E91.4Very high90.7Very high47 Ų4753.8 Ų53.822%0.2230%0.297CS..Hα-helixtrans-62.5-42.6174.3-172.962.8-148.200111.6L43 L44 R45 Q49 S50 S52 K54 G55 L58L43-E47 PolarHBondContact O-N 3.46Å; L44-E47 PolarHBondContact O-N 3.37Å; R45-E47 VanDerWaalsContact C-N 3.34Å; E47-Q49 VanDerWaalsContact C-N 3.31Å; E47-Q49 PolarHBondContact O-N 2.91Å; E47-S50 WeakPolarHBondContact O-CB 3.32Å; E47-S50 PolarHBondContact O-N 2.74Å; E47-S50 PolarHBondContact O-OG 2.7Å; E47-S52 PolarHBondContact OE1-OG 2.99Å; E47-K54 HydrophobicContact CG-CD 4.26Å; E47-K54 HydrophobicContact CG-CG 4.3Å; E47-G55 WeakPolarHBondContact O-CA 3.46Å; E47-L58 HydrophobicContact CB-CD1 3.83Å; E47-L58 HydrophobicContact CG-CD1 3.51Å
48V91.8Very high91Very high35 Ų3551.3 Ų51.321%0.21229%0.286CS..Hα-helixtrans-57.9-43.9173.3168.10000111.6L44 R45 A46 S50 G51 G55 L58 K59 M62L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.43Å; L44-V48 PolarHBondContact O-N 3.18Å; R45-V48 WeakPolarHBondContact O-CB 3.4Å; R45-V48 PolarHBondContact O-N 2.87Å; A46-V48 PolarHBondContact O-N 3.21Å; V48-S50 VanDerWaalsContact C-N 3.26Å; V48-S50 PolarHBondContact O-N 2.57Å; V48-G51 PolarHBondContact O-N 3.19Å; V48-G55 WeakPolarHBondContact CG2-O 3.39Å; V48-L58 HydrophobicContact CG2-CB 3.86Å; V48-K59 HydrophobicContact CG1-CB 3.81Å; V48-K59 HydrophobicContact CG1-CD 4.15Å; V48-K59 HydrophobicContact CG1-CG 4.04Å; V48-K59 HydrophobicContact CG2-CB 4.02Å; V48-M62 HydrophobicContact CG2-SD 4.16Å
49Q92.6Very high91.3Very high160 Ų16055.7 Ų55.775%0.74831%0.305SS*.Hα-helixtrans-67.9-23.8-179.4-75172.2-4.600113.3R45 A46 E47 G51R45-Q49 WeakPolarHBondContact O-CB 3.37Å; R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.4Å; R45-Q49 PolarHBondContact O-N 3.31Å; A46-Q49 PolarHBondContact O-N 2.62Å; E47-Q49 VanDerWaalsContact C-N 3.31Å; E47-Q49 PolarHBondContact O-N 2.91Å; Q49-G51 PolarHBondContact O-N 2.85Å
50S92.2Very high91.4Very high74 Ų7456.9 Ų56.952%0.51732%0.315SS..THydrogen-bonded Turntrans-63.4-20.6175.578.60000113.5A46 E47 V48 S52A46-S50 PolarHBondContact O-N 3.03Å; A46-S50 VanDerWaalsContact O-N 3.08Å; E47-S50 WeakPolarHBondContact O-CB 3.32Å; E47-S50 PolarHBondContact O-N 2.74Å; E47-S50 PolarHBondContact O-OG 2.7Å; V48-S50 VanDerWaalsContact C-N 3.26Å; V48-S50 PolarHBondContact O-N 2.57Å; S50-S52 PolarHBondContact O-N 3.14Å; S50-S52 WeakPolarHBondContact OG-CB 3.5Å; S50-S52 PolarHBondContact OG-N 3.38Å; S50-S52 PolarHBondContact OG-OG 3.15Å
51G90.7Very high91.5Very high44 Ų4458.3 Ų58.345%0.45432%0.321SS..THydrogen-bonded Turntrans72.36.7-175.700000114.5V48 Q49V48-G51 PolarHBondContact O-N 3.19Å; Q49-G51 PolarHBondContact O-N 2.85Å
52S92.6Very high91.6Very high29 Ų2958.9 Ų58.920%0.20332%0.323CS..  trans-59.7157.9177.978.30000111.7E47 S50 K54 G55 K56E47-S52 PolarHBondContact OE1-OG 2.99Å; S50-S52 PolarHBondContact O-N 3.14Å; S50-S52 WeakPolarHBondContact OG-CB 3.5Å; S50-S52 PolarHBondContact OG-N 3.38Å; S50-S52 PolarHBondContact OG-OG 3.15Å; S52-K54 PolarHBondContact O-N 3.25Å; S52-G55 WeakPolarHBondContact O-CA 3.47Å; S52-G55 PolarHBondContact O-N 2.96Å; S52-G55 PolarHBondContact OG-N 3.33Å; S52-K56 PolarHBondContact O-N 2.93Å
53P92.5Very high91.6Very high101 Ų10159.2 Ų59.266%0.65632%0.322SS*.Hα-helixtrans-52.6-43.3172.7-27.635.7000112.5G55 K56 E57P53-G55 PolarHBondContact O-N 3.06Å; P53-K56 WeakPolarHBondContact O-CB 3.34Å; P53-K56 PolarHBondContact O-N 3.08Å; P53-E57 PolarHBondContact O-N 3.41Å
54K90.2Very high91.5Very high75 Ų7562.3 Ų62.333%0.32633%0.33SS..Hα-helixtrans-60.3-45.1173.1-176.2-177.9177.7-171.50111.6E47 S52 K56 E57 L58 V72E47-K54 HydrophobicContact CG-CD 4.26Å; E47-K54 HydrophobicContact CG-CG 4.3Å; S52-K54 PolarHBondContact O-N 3.25Å; K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 3.22Å; K54-E57 PolarHBondContact O-N 2.85Å; K54-L58 HydrophobicContact CG-CD1 4.19Å; K54-L58 HydrophobicContact CG-CG 4.36Å; K54-L58 WeakPolarHBondContact O-CB 3.27Å; K54-L58 VanDerWaalsContact O-CG 3.27Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 2.87Å; K54-V72 VanDerWaalsContact CE-CG1 3.5Å
55G93Very high91.1Very high1 Ų162 Ų621%0.0133%0.33CS..Hα-helixtrans-57-38.4175.500000113.1E47 V48 S52 P53 K59E47-G55 WeakPolarHBondContact O-CA 3.46Å; V48-G55 WeakPolarHBondContact CG2-O 3.39Å; S52-G55 WeakPolarHBondContact O-CA 3.47Å; S52-G55 PolarHBondContact O-N 2.96Å; S52-G55 PolarHBondContact OG-N 3.33Å; P53-G55 PolarHBondContact O-N 3.06Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 3.31Å
56K93.6Very high90.9Very high148 Ų14864.1 Ų64.164%0.64334%0.342SS*.Hα-helixtrans-66.5-43175.8-66.6178.1-176.6178.60112.3S52 P53 K54 K59 A60S52-K56 PolarHBondContact O-N 2.93Å; P53-K56 WeakPolarHBondContact O-CB 3.34Å; P53-K56 PolarHBondContact O-N 3.08Å; K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 3.22Å; K56-K59 WeakPolarHBondContact O-CB 3.43Å; K56-K59 PolarHBondContact O-N 3.21Å; K56-A60 PolarHBondContact O-N 2.91Å; K56-A60 VanDerWaalsContact O-N 3.16Å
57E93.1Very high90.8Very high123 Ų12363.3 Ų63.358%0.57533%0.33SS*.Hα-helixtrans-63.8-45.3175.9-68.2173.3-170.600111.6P53 K54 K59 A60 M61P53-E57 PolarHBondContact O-N 3.41Å; K54-E57 PolarHBondContact O-N 2.85Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.15Å; E57-A60 PolarHBondContact O-N 3.48Å; E57-M61 HydrophobicContact CB-CE 4.08Å; E57-M61 PolarHBondContact O-N 3.31Å
58L92.3Very high90.7Very high4 Ų461.4 Ų61.42%0.02132%0.321CS..Hα-helixtrans-60.5-41.6176.4-69.4-179.7000111.6L44 E47 V48 K54 A60 M61 M62 V68 V72L44-L58 HydrophobicContact CD2-CD1 3.78Å; L44-L58 HydrophobicContact CD2-CD2 3.92Å; L44-L58 HydrophobicContact CD2-CG 4.44Å; E47-L58 HydrophobicContact CB-CD1 3.83Å; E47-L58 HydrophobicContact CG-CD1 3.51Å; V48-L58 HydrophobicContact CG2-CB 3.86Å; K54-L58 HydrophobicContact CG-CD1 4.19Å; K54-L58 HydrophobicContact CG-CG 4.36Å; K54-L58 WeakPolarHBondContact O-CB 3.27Å; K54-L58 VanDerWaalsContact O-CG 3.27Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 2.87Å; L58-A60 VanDerWaalsContact C-N 3.33Å; L58-A60 PolarHBondContact O-N 2.92Å; L58-M61 PolarHBondContact O-N 2.85Å; L58-M62 WeakPolarHBondContact O-CB 3.37Å; L58-M62 WeakPolarHBondContact O-CG 3.48Å; L58-M62 PolarHBondContact O-N 3.5Å; L58-V68 HydrophobicContact CD2-CB 4.23Å; L58-V68 HydrophobicContact CD2-CG1 3.41Å; L58-V68 VanDerWaalsContact CD2-CG1 3.41Å; L58-V68 HydrophobicContact CD2-CG2 3.72Å; L58-V72 HydrophobicContact CD2-CG1 4.49Å
59K92.4Very high90.8Very high93 Ų9363.1 Ų63.140%0.40433%0.333SS..Hα-helixtrans-57-49.6176.2-175.7177.7169.7-179.10110.5V48 G55 K56 E57 M61 M62 E63V48-K59 HydrophobicContact CG1-CB 3.81Å; V48-K59 HydrophobicContact CG1-CD 4.15Å; V48-K59 HydrophobicContact CG1-CG 4.04Å; V48-K59 HydrophobicContact CG2-CB 4.02Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 3.31Å; K56-K59 WeakPolarHBondContact O-CB 3.43Å; K56-K59 PolarHBondContact O-N 3.21Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.15Å; K59-M61 PolarHBondContact O-N 3.16Å; K59-M62 PolarHBondContact O-N 3.26Å; K59-E63 WeakPolarHBondContact CE-OE1 3.11Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 IonicContact NZ-OE1 3.76Å; K59-E63 WeakPolarHBondContact O-CB 3.39Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 3.21Å
60A92.1Very high90.9Very high31 Ų3156.7 Ų56.726%0.25630%0.304SS..Hα-helixtrans-63.3-41.5-17900000112.2K56 E57 L58 R64K56-A60 PolarHBondContact O-N 2.91Å; K56-A60 VanDerWaalsContact O-N 3.16Å; E57-A60 PolarHBondContact O-N 3.48Å; L58-A60 VanDerWaalsContact C-N 3.33Å; L58-A60 PolarHBondContact O-N 2.92Å; A60-R64 WeakPolarHBondContact O-CG 3.39Å; A60-R64 PolarHBondContact O-N 3.06Å; A60-R64 VanDerWaalsContact O-N 3.16Å; A60-R64 PolarHBondContact O-NH1 3.49Å
61M91.4Very high90.9Very high35 Ų3558.2 Ų58.217%0.17230%0.303CS..Hα-helixtrans-62.4-45.3174-69.6-179.5-130.200111.9E57 L58 K59 R64 G65 E66 V68E57-M61 HydrophobicContact CB-CE 4.08Å; E57-M61 PolarHBondContact O-N 3.31Å; L58-M61 PolarHBondContact O-N 2.85Å; K59-M61 PolarHBondContact O-N 3.16Å; M61-R64 CarbonylContact O-C 3.54Å; M61-R64 PolarHBondContact O-N 3.35Å; M61-G65 PolarHBondContact O-N 2.96Å; M61-G65 VanDerWaalsContact O-N 3.1Å; M61-E66 HydrophobicContact CB-CB 4.28Å; M61-E66 PolarHBondContact O-N 3.23Å; M61-V68 HydrophobicContact SD-CG2 4.44Å
62M88.8Confident90.9Very high20 Ų2058.1 Ų58.110%0.09929%0.293CS..Hα-helixtrans-65.4-40.1-179.3-72178.562.700112.3L44 R45 V48 L58 K59 R64 G65L44-M62 HydrophobicContact CB-SD 3.97Å; R45-M62 HydrophobicContact CG-CE 3.83Å; V48-M62 HydrophobicContact CG2-SD 4.16Å; L58-M62 WeakPolarHBondContact O-CB 3.37Å; L58-M62 WeakPolarHBondContact O-CG 3.48Å; L58-M62 PolarHBondContact O-N 3.5Å; K59-M62 PolarHBondContact O-N 3.26Å; M62-R64 VanDerWaalsContact C-N 3.28Å; M62-R64 PolarHBondContact O-N 3.45Å; M62-G65 PolarHBondContact O-N 2.8Å
63E88.7Confident90.9Very high76 Ų7657.1 Ų57.136%0.35529%0.286SS..Hα-helixtrans-59.1-40.8173-77.9171170.900111.2K59 G65 V140 T146K59-E63 WeakPolarHBondContact CE-OE1 3.11Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 IonicContact NZ-OE1 3.76Å; K59-E63 WeakPolarHBondContact O-CB 3.39Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 3.21Å; E63-G65 PolarHBondContact O-N 3.26Å; E63-V140 HydrophobicContact CG-CB 3.81Å; E63-V140 HydrophobicContact CG-CG2 3.7Å; E63-T146 PolarHBondContact O-OG1 2.92Å
64R88Confident90.8Very high106 Ų10652.4 Ų52.440%0.426%0.255SS..THydrogen-bonded Turntrans-76.3-5175.5-66.2-171.9-55.3-88.9-2.4114.4A60 M61 M62 E66 K149A60-R64 WeakPolarHBondContact O-CG 3.39Å; A60-R64 PolarHBondContact O-N 3.06Å; A60-R64 VanDerWaalsContact O-N 3.16Å; A60-R64 PolarHBondContact O-NH1 3.49Å; M61-R64 CarbonylContact O-C 3.54Å; M61-R64 PolarHBondContact O-N 3.35Å; M62-R64 VanDerWaalsContact C-N 3.28Å; M62-R64 PolarHBondContact O-N 3.45Å; R64-E66 VanDerWaalsContact C-N 3.27Å; R64-E66 HydrophobicContact CB-CG 3.99Å; R64-E66 WeakPolarHBondContact CD-OE1 3.49Å; R64-E66 IonicContact CZ-OE1 3.76Å; R64-E66 IonicContact CZ-OE2 2.74Å; R64-E66 IonicContact NE-OE1 3.19Å; R64-E66 PolarHBondContact NE-OE1 3.22Å; R64-E66 IonicContact NE-OE2 3.95Å; R64-E66 PolarHBondContact NE-OE2 2.83Å; R64-E66 VanDerWaalsContact NE-OE2 3.13Å; R64-E66 IonicContact NH2-OE1 2.7Å; R64-E66 IonicContact NH2-OE2 3.99Å; R64-E66 PolarHBondContact NH2-OE2 2.82Å; R64-E66 PolarHBondContact O-N 2.94Å; R64-K149 WeakPolarHBondContact O-CD 3.43Å
65G83Confident90.8Very high6 Ų651.4 Ų51.46%0.06226%0.261CS..THydrogen-bonded Turntrans72.617.1-177.300000114.4M61 M62 E63M61-G65 PolarHBondContact O-N 2.96Å; M61-G65 VanDerWaalsContact O-N 3.1Å; M62-G65 PolarHBondContact O-N 2.8Å; E63-G65 PolarHBondContact O-N 3.26Å
66E87.1Confident90.6Very high83 Ų8352.2 Ų52.239%0.38827%0.265SS..PPolyproline II helixtrans-76.6157.1-177.3-70.2165.7-170.800111.9M61 R64M61-E66 HydrophobicContact CB-CB 4.28Å; M61-E66 PolarHBondContact O-N 3.23Å; R64-E66 VanDerWaalsContact C-N 3.27Å; R64-E66 HydrophobicContact CB-CG 3.99Å; R64-E66 WeakPolarHBondContact CD-OE1 3.49Å; R64-E66 IonicContact CZ-OE1 3.76Å; R64-E66 IonicContact CZ-OE2 2.74Å; R64-E66 IonicContact NE-OE1 3.19Å; R64-E66 PolarHBondContact NE-OE1 3.22Å; R64-E66 IonicContact NE-OE2 3.95Å; R64-E66 PolarHBondContact NE-OE2 2.83Å; R64-E66 VanDerWaalsContact NE-OE2 3.13Å; R64-E66 IonicContact NH2-OE1 2.7Å; R64-E66 IonicContact NH2-OE2 3.99Å; R64-E66 PolarHBondContact NH2-OE2 2.82Å; R64-E66 PolarHBondContact O-N 2.94Å
67L88.4Confident90.3Very high38 Ų3845.2 Ų45.220%0.19923%0.234CC..PPolyproline II helixtrans-76.8129.8167.5-70.6-175.7000109.4R98 E99 T153 L157L67-R98 HydrophobicContact CD2-CB 3.77Å; L67-R98 HydrophobicContact CD2-CG 4.33Å; L67-R98 VanDerWaalsContact CD2-CZ 3.44Å; L67-E99 HydrophobicContact CD1-CB 4.4Å; L67-T153 HydrophobicContact CD1-CG2 4.23Å; L67-T153 HydrophobicContact CD2-CG2 3.79Å; L67-T153 HydrophobicContact CG-CG2 4.04Å; L67-L157 HydrophobicContact CD1-CD1 3.54Å
68V90.7Very high90.1Very high8 Ų841.7 Ų41.75%0.04822%0.217CC..PPolyproline II helixtrans-69.4139167.1177.40000108.1L44 L58 M61 L70 V72 V73L44-V68 HydrophobicContact CD1-CB 4.25Å; L44-V68 HydrophobicContact CD1-CG2 3.85Å; L44-V68 HydrophobicContact CD2-CB 4.33Å; L44-V68 HydrophobicContact CD2-CG1 3.92Å; L44-V68 HydrophobicContact CD2-CG2 4.1Å; L58-V68 HydrophobicContact CD2-CB 4.23Å; L58-V68 HydrophobicContact CD2-CG1 3.41Å; L58-V68 VanDerWaalsContact CD2-CG1 3.41Å; L58-V68 HydrophobicContact CD2-CG2 3.72Å; M61-V68 HydrophobicContact SD-CG2 4.44Å; V68-L70 PolarHBondContact O-N 3.18Å; V68-V72 HydrophobicContact CG1-CB 4.01Å; V68-V72 HydrophobicContact CG1-CG1 3.9Å; V68-V73 HydrophobicContact CB-CG2 3.82Å; V68-V73 HydrophobicContact CG1-CG2 3.79Å
69P93.2Very high89.8Confident70 Ų7047.2 Ų47.246%0.45524%0.243SC..PPolyproline II helixtrans-51.4138.2-178.2-29.735.5000113.5E71 V72 V73P69-E71 VanDerWaalsContact C-N 3.29Å; P69-E71 PolarHBondContact O-N 2.94Å; P69-V72 HydrophobicContact CB-CG2 4.23Å; P69-V72 WeakPolarHBondContact O-CB 3.28Å; P69-V72 PolarHBondContact O-N 2.92Å; P69-V73 PolarHBondContact O-N 3.2Å
70L93.8Very high89.4Confident26 Ų2643.4 Ų43.414%0.13623%0.229CC..Hα-helixtrans-47.8-50-177.8-178.9160.7000112.3V68 V72 V73 L74 D101 Q102 K105V68-L70 PolarHBondContact O-N 3.18Å; L70-V72 VanDerWaalsContact C-N 3.26Å; L70-V72 PolarHBondContact O-N 2.72Å; L70-V73 PolarHBondContact O-N 2.71Å; L70-L74 HydrophobicContact CD2-CB 4.27Å; L70-L74 HydrophobicContact CD2-CD2 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.38Å; L70-D101 HydrophobicContact CD1-CB 3.96Å; L70-Q102 HydrophobicContact CB-CG 4.18Å; L70-Q102 HydrophobicContact CD1-CB 4.38Å; L70-Q102 HydrophobicContact CD1-CG 3.81Å; L70-Q102 HydrophobicContact CG-CG 3.73Å; L70-K105 HydrophobicContact CD1-CB 4.46Å; L70-K105 HydrophobicContact CD2-CB 4.38Å; L70-K105 HydrophobicContact CD2-CD 3.58Å; L70-K105 HydrophobicContact CD2-CG 4.22Å
71E93.6Very high89Confident106 Ų10642.1 Ų42.150%0.49522%0.217SC..Hα-helixtrans-58.8-39.6-176.6-57.2-53.4147.200112.2P69 A75 K105P69-E71 VanDerWaalsContact C-N 3.29Å; P69-E71 PolarHBondContact O-N 2.94Å; E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.32Å; E71-K105 WeakPolarHBondContact OE1-CE 3.47Å; E71-K105 IonicContact OE1-NZ 3.53Å; E71-K105 PolarHBondContact OE1-NZ 3.47Å; E71-K105 WeakPolarHBondContact OE2-CE 3.28Å; E71-K105 IonicContact OE2-NZ 2.76Å; E71-K105 PolarHBondContact OE2-NZ 3.49Å
72V91.1Very high88.6Confident41 Ų4143 Ų4325%0.24822%0.223CC..Hα-helixtrans-67.1-45.5179.91770000110.2K54 L58 V68 P69 L70 L76K54-V72 VanDerWaalsContact CE-CG1 3.5Å; L58-V72 HydrophobicContact CD2-CG1 4.49Å; V68-V72 HydrophobicContact CG1-CB 4.01Å; V68-V72 HydrophobicContact CG1-CG1 3.9Å; P69-V72 HydrophobicContact CB-CG2 4.23Å; P69-V72 WeakPolarHBondContact O-CB 3.28Å; P69-V72 PolarHBondContact O-N 2.92Å; L70-V72 VanDerWaalsContact C-N 3.26Å; L70-V72 PolarHBondContact O-N 2.72Å; V72-L76 HydrophobicContact CG1-CD1 4.4Å; V72-L76 WeakPolarHBondContact O-CG 3.2Å; V72-L76 PolarHBondContact O-N 3.47Å
73V91.8Very high88.2Confident8 Ų847.3 Ų47.35%0.04825%0.246CC..Hα-helixtrans-67.2-46179.8-177.60000110.7L44 V68 P69 L70 A75 L76 L77 Y96L44-V73 HydrophobicContact CD1-CG2 4.48Å; V68-V73 HydrophobicContact CB-CG2 3.82Å; V68-V73 HydrophobicContact CG1-CG2 3.79Å; P69-V73 PolarHBondContact O-N 3.2Å; L70-V73 PolarHBondContact O-N 2.71Å; V73-A75 PolarHBondContact O-N 2.99Å; V73-L76 PolarHBondContact O-N 3.31Å; V73-L77 HydrophobicContact CG1-CD1 4.01Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.11Å; V73-L77 PolarHBondContact O-N 3.32Å; V73-Y96 HydrophobicContact CG1-CD2 3.71Å; V73-Y96 HydrophobicContact CG1-CE2 3.94Å
74L91.4Very high87.4Confident2 Ų247.3 Ų47.31%0.0124%0.243CC..Hα-helixtrans-64.7-39.5-179.5-177.562.4000111.9L70 L77 K78 K105 F106 V110L70-L74 HydrophobicContact CD2-CB 4.27Å; L70-L74 HydrophobicContact CD2-CD2 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.38Å; L74-L77 PolarHBondContact O-N 3.34Å; L74-K78 HydrophobicContact CD1-CD 4.3Å; L74-K78 HydrophobicContact CD1-CG 4.32Å; L74-K78 HydrophobicContact CG-CD 4.03Å; L74-K78 HydrophobicContact CG-CG 4.46Å; L74-K78 WeakPolarHBondContact O-CB 3.35Å; L74-K78 VanDerWaalsContact O-CG 3.32Å; L74-K78 WeakPolarHBondContact O-CG 3.34Å; L74-K78 PolarHBondContact O-N 3.11Å; L74-K105 HydrophobicContact CD2-CD 4.2Å; L74-K105 HydrophobicContact CD2-CG 3.74Å; L74-F106 HydrophobicContact CD1-CB 4.33Å; L74-F106 HydrophobicContact CD1-CD2 3.88Å; L74-V110 HydrophobicContact CD1-CG2 3.83Å
75A89.9Confident86.1Confident54 Ų5445.2 Ų45.245%0.44624%0.239SC..Hα-helixtrans-60.6-47.817500000111.7E71 V73 L77 K78 E79E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.32Å; V73-A75 PolarHBondContact O-N 2.99Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 3.45Å; A75-K78 PolarHBondContact O-N 2.91Å; A75-E79 WeakPolarHBondContact O-CB 3.19Å; A75-E79 PolarHBondContact O-N 2.89Å
76L87.9Confident84.9Confident19 Ų1950.6 Ų50.610%0.09927%0.271CS..Hα-helixtrans-60.5-41.7176.5-72171.9000111.9L43 L44 V72 V73 A80L43-L76 HydrophobicContact CB-CB 4.48Å; L43-L76 HydrophobicContact CD1-CB 4Å; L44-L76 HydrophobicContact CD2-CD1 3.78Å; V72-L76 HydrophobicContact CG1-CD1 4.4Å; V72-L76 WeakPolarHBondContact O-CG 3.2Å; V72-L76 PolarHBondContact O-N 3.47Å; V73-L76 PolarHBondContact O-N 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.48Å; L76-A80 PolarHBondContact O-N 3.07Å; L76-A80 VanDerWaalsContact O-N 3.09Å
77L88.5Confident83.2Confident0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-63.5-47.6176.7-69.5170.9000111.3L38 L43 V73 L74 A75 E79 A80 M81 Y96L38-L77 HydrophobicContact CD1-CD2 4.45Å; L38-L77 HydrophobicContact CD2-CB 4.16Å; L38-L77 HydrophobicContact CD2-CD2 3.34Å; L38-L77 HydrophobicContact CD2-CG 4.35Å; L38-L77 HydrophobicContact CG-CD2 3.54Å; L43-L77 HydrophobicContact CD1-CD2 3.86Å; L43-L77 HydrophobicContact CD1-CG 4.39Å; V73-L77 HydrophobicContact CG1-CD1 4.01Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.11Å; V73-L77 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 3.34Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 3.45Å; L77-E79 PolarHBondContact O-N 3.07Å; L77-A80 PolarHBondContact O-N 3.34Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 WeakPolarHBondContact O-CG 3.26Å; L77-M81 PolarHBondContact O-N 3.11Å; L77-Y96 HydrophobicContact CD1-CD1 3.89Å; L77-Y96 HydrophobicContact CD1-CD2 3.41Å; L77-Y96 VanDerWaalsContact CD1-CD2 3.41Å; L77-Y96 HydrophobicContact CD1-CE1 4.12Å; L77-Y96 HydrophobicContact CD1-CE2 3.59Å; L77-Y96 HydrophobicContact CD1-CG 3.52Å
78K87.1Confident81.6Confident49 Ų4956.2 Ų56.221%0.21330%0.295CS..Hα-helixtrans-59.9-47.5179.7-75.7172.674.8174.40111.6L74 A75 A80 M81 I82 E109 V110L74-K78 HydrophobicContact CD1-CD 4.3Å; L74-K78 HydrophobicContact CD1-CG 4.32Å; L74-K78 HydrophobicContact CG-CD 4.03Å; L74-K78 HydrophobicContact CG-CG 4.46Å; L74-K78 WeakPolarHBondContact O-CB 3.35Å; L74-K78 VanDerWaalsContact O-CG 3.32Å; L74-K78 WeakPolarHBondContact O-CG 3.34Å; L74-K78 PolarHBondContact O-N 3.11Å; A75-K78 PolarHBondContact O-N 2.91Å; K78-A80 PolarHBondContact O-N 3.25Å; K78-M81 PolarHBondContact O-N 2.84Å; K78-I82 WeakPolarHBondContact O-CB 3.35Å; K78-I82 WeakPolarHBondContact O-CD1 3.47Å; K78-I82 WeakPolarHBondContact O-CG1 3.43Å; K78-I82 PolarHBondContact O-N 3.1Å; K78-E109 IonicContact NZ-OE2 3.8Å; K78-E109 PolarHBondContact NZ-OE2 3.42Å; K78-V110 HydrophobicContact CD-CG2 4.03Å; K78-V110 HydrophobicContact CG-CG2 3.67Å
79E86.2Confident79.9Confident120 Ų12059.7 Ų59.756%0.56132%0.316SS*.Hα-helixtrans-58.6-49.1178.3-176.5177.5-178.600111.5A75 L77 M81 I82 N83A75-E79 WeakPolarHBondContact O-CB 3.19Å; A75-E79 PolarHBondContact O-N 2.89Å; L77-E79 PolarHBondContact O-N 3.07Å; E79-M81 PolarHBondContact O-N 2.95Å; E79-I82 PolarHBondContact O-N 2.84Å; E79-N83 VanDerWaalsContact O-CG 3.31Å; E79-N83 PolarHBondContact O-N 3.4Å; E79-N83 VanDerWaalsContact O-N 3.1Å; E79-N83 PolarHBondContact O-ND2 3.32Å
80A84.6Confident78.3Confident13 Ų1357.3 Ų57.311%0.10730%0.299CS..Hα-helixtrans-61.7-42.7177.900000112.4L38 L43 L76 L77 K78 N83 W84L38-A80 HydrophobicContact CD1-CB 3.44Å; L38-A80 VanDerWaalsContact CD1-CB 3.44Å; L38-A80 HydrophobicContact CD2-CB 4.43Å; L43-A80 HydrophobicContact CD1-CB 4.34Å; L43-A80 HydrophobicContact CD2-CB 4.07Å; L76-A80 WeakPolarHBondContact O-CB 3.48Å; L76-A80 PolarHBondContact O-N 3.07Å; L76-A80 VanDerWaalsContact O-N 3.09Å; L77-A80 PolarHBondContact O-N 3.34Å; K78-A80 PolarHBondContact O-N 3.25Å; A80-N83 PolarHBondContact O-N 3.29Å; A80-W84 VanDerWaalsContact O-CG 3.29Å; A80-W84 PolarHBondContact O-N 3.02Å
81M84.4Confident76.5Confident4 Ų456.4 Ų56.42%0.0230%0.295CS..Hα-helixtrans-64.9-43.1177.9-68.5175.274.700112.1L6 A9 V11 L38 L77 K78 E79 N83 W84 L85 F106 V110L6-M81 HydrophobicContact CD2-CB 3.53Å; L6-M81 HydrophobicContact CD2-CE 4.15Å; A9-M81 HydrophobicContact CB-CE 4.48Å; V11-M81 HydrophobicContact CG2-CE 3.55Å; L38-M81 HydrophobicContact CD2-CG 3.58Å; L38-M81 HydrophobicContact CD2-SD 4.26Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 WeakPolarHBondContact O-CG 3.26Å; L77-M81 PolarHBondContact O-N 3.11Å; K78-M81 PolarHBondContact O-N 2.84Å; E79-M81 PolarHBondContact O-N 2.95Å; M81-N83 VanDerWaalsContact C-N 3.28Å; M81-N83 PolarHBondContact O-N 3.07Å; M81-W84 PolarHBondContact O-N 2.79Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.72Å; M81-L85 VanDerWaalsContact O-N 3.14Å; M81-F106 HydrophobicContact CE-CZ 3.94Å; M81-F106 HydrophobicContact SD-CE2 3.83Å; M81-F106 HydrophobicContact SD-CZ 3.81Å; M81-V110 HydrophobicContact CE-CG1 3.65Å; M81-V110 HydrophobicContact SD-CG1 3.72Å
82I82.8Confident74.8Confident55 Ų5551.3 Ų51.328%0.28227%0.271SS..Hα-helixtrans-60.5-41178.4-70.1164.4000110.7D3 L6 K78 E79 W84 L85D3-I82 WeakPolarHBondContact OD2-CD1 3.46Å; L6-I82 HydrophobicContact CD1-CD1 4.36Å; L6-I82 HydrophobicContact CD1-CG1 3.88Å; L6-I82 HydrophobicContact CD2-CG1 4.29Å; L6-I82 HydrophobicContact CG-CG1 4.15Å; K78-I82 WeakPolarHBondContact O-CB 3.35Å; K78-I82 WeakPolarHBondContact O-CD1 3.47Å; K78-I82 WeakPolarHBondContact O-CG1 3.43Å; K78-I82 PolarHBondContact O-N 3.1Å; E79-I82 PolarHBondContact O-N 2.84Å; I82-W84 PolarHBondContact O-N 3.28Å; I82-L85 PolarHBondContact O-N 3.31Å
83N79.3Confident73.4Confident110 Ų11049.4 Ų49.459%0.58826%0.259SS*.Hα-helixtrans-65.3-20.2177.5-70.5-25.3000113.1E79 A80 M81E79-N83 VanDerWaalsContact O-CG 3.31Å; E79-N83 PolarHBondContact O-N 3.4Å; E79-N83 VanDerWaalsContact O-N 3.1Å; E79-N83 PolarHBondContact O-ND2 3.32Å; A80-N83 PolarHBondContact O-N 3.29Å; M81-N83 VanDerWaalsContact C-N 3.28Å; M81-N83 PolarHBondContact O-N 3.07Å
84W73Confident71.9Confident76 Ų7649.1 Ų49.129%0.28826%0.257SS..Hα-helixtrans-98.9-16.7-179.6-65.6-15.7000115.9N36 H37 L38 A80 M81 I82 T86 K87N36-W84 HydrophobicContact CB-CD2 4.24Å; N36-W84 HydrophobicContact CB-CE3 3.55Å; N36-W84 HydrophobicContact CB-CZ3 3.71Å; H37-W84 VanDerWaalsContact C-CH2 3.48Å; H37-W84 WeakPolarHBondContact O-CH2 3.21Å; L38-W84 HydrophobicContact CB-CH2 3.66Å; L38-W84 HydrophobicContact CB-CZ3 3.62Å; L38-W84 HydrophobicContact CD1-CH2 3.34Å; L38-W84 HydrophobicContact CD1-CZ2 3.98Å; L38-W84 HydrophobicContact CD1-CZ3 3.8Å; L38-W84 HydrophobicContact CD2-CZ3 4.35Å; L38-W84 HydrophobicContact CG-CH2 4.05Å; L38-W84 HydrophobicContact CG-CZ3 4.13Å; A80-W84 VanDerWaalsContact O-CG 3.29Å; A80-W84 PolarHBondContact O-N 3.02Å; M81-W84 PolarHBondContact O-N 2.79Å; I82-W84 PolarHBondContact O-N 3.28Å; W84-T86 PolarHBondContact O-N 2.64Å; W84-K87 PolarHBondContact O-N 2.88Å
85L61.3Low70.9Confident61 Ų6151 Ų5132%0.31927%0.265SS..THydrogen-bonded Turntrans-56.7-9.5-174.3-82.9177.7000114.8K5 L6 M81 I82 K87K5-L85 HydrophobicContact CB-CD1 3.38Å; K5-L85 WeakPolarHBondContact O-CD1 3.48Å; L6-L85 HydrophobicContact CD2-CD1 3.51Å; L6-L85 HydrophobicContact CD2-CD2 3.97Å; L6-L85 HydrophobicContact CD2-CG 3.74Å; L6-L85 HydrophobicContact CG-CD1 3.98Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.72Å; M81-L85 VanDerWaalsContact O-N 3.14Å; I82-L85 PolarHBondContact O-N 3.31Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 3.34Å
86T55.9Low70.8Confident119 Ų11948.5 Ų48.573%0.7324%0.243SC*.THydrogen-bonded Turntrans-72.6-12.8171.957.90000114W84W84-T86 PolarHBondContact O-N 2.64Å
87K52.9Low71.1Confident175 Ų17547.6 Ų47.676%0.76124%0.239SC*.THydrogen-bonded Turntrans-133.1-27.7-168.3-67.5-167.3178.3-1790121W84 L85W84-K87 PolarHBondContact O-N 2.88Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 3.34Å
88I53.7Low71.3Confident64 Ų6450.8 Ų50.833%0.32825%0.251SS..  trans-153.1147179.8-81119.6000111.9H34 I90H34-I88 WeakPolarHBondContact O-CD1 3.42Å; I88-I90 WeakPolarHBondContact CG2-O 3.36Å
89V55.6Low71.7Confident82 Ų8250.6 Ų50.650%0.49725%0.251SS..SBendtrans-81.9-25.3-175.9179.10000113.6K10K10-V89 WeakPolarHBondContact CA-O 3.48Å; K10-V89 HydrophobicContact CB-CG1 4.15Å; K10-V89 WeakPolarHBondContact CB-O 3.3Å; K10-V89 HydrophobicContact CD-CG1 3.87Å; K10-V89 HydrophobicContact CG-CG1 3.77Å; K10-V89 PolarHBondContact N-O 3.24Å; K10-V89 VanDerWaalsContact O-O 3.13Å
90I58.7Low72.1Confident20 Ų2047.5 Ų47.510%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-107.3120.2-178.2-60.6166.8000111.4K10 I12 F35 N36 I88 V196K10-I90 HydrophobicContact CB-CG1 3.74Å; K10-I90 HydrophobicContact CD-CG1 4.14Å; K10-I90 CarbonylContact O-C 3.59Å; K10-I90 WeakPolarHBondContact O-CA 3.26Å; I12-I90 HydrophobicContact CD1-CG2 3.88Å; I12-I90 HydrophobicContact CG1-CG2 4.25Å; F35-I90 HydrophobicContact CD1-CB 3.65Å; F35-I90 HydrophobicContact CD1-CD1 4.36Å; F35-I90 HydrophobicContact CD1-CG2 3.82Å; F35-I90 HydrophobicContact CD2-CG2 3.94Å; F35-I90 HydrophobicContact CE1-CB 3.76Å; F35-I90 HydrophobicContact CE1-CD1 3.58Å; F35-I90 HydrophobicContact CE1-CG1 4.24Å; F35-I90 HydrophobicContact CE1-CG2 3.89Å; F35-I90 HydrophobicContact CE2-CG2 4.04Å; F35-I90 HydrophobicContact CG-CB 4.16Å; F35-I90 HydrophobicContact CG-CG2 3.87Å; F35-I90 HydrophobicContact CZ-CB 4.39Å; F35-I90 HydrophobicContact CZ-CD1 3.96Å; F35-I90 HydrophobicContact CZ-CG2 4.04Å; N36-I90 PolarHBondContact N-O 3.41Å; N36-I90 VanDerWaalsContact N-O 3.16Å; I88-I90 WeakPolarHBondContact CG2-O 3.36Å; I90-V196 HydrophobicContact CD1-CG1 4.34Å; I90-V196 HydrophobicContact CD1-CG2 4.16Å
91S57.6Low72.7Confident6 Ų651.9 Ų51.94%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-111.7128170.5-600000110.7K10 V11 I12 N36K10-S91 PolarHBondContact O-N 3.4Å; V11-S91 WeakPolarHBondContact CA-O 3.12Å; I12-S91 PolarHBondContact N-O 3.16Å; I12-S91 VanDerWaalsContact N-O 3.1Å; N36-S91 CarbonylContact O-C 3.52Å; N36-S91 VanDerWaalsContact O-CA 3.31Å; N36-S91 WeakPolarHBondContact O-CA 3.4Å
92L57.8Low73.3Confident0 Ų051.9 Ų51.90%026%0.259CS..EExtended strand (participates in β ladder)trans-81.7120168-60.8178.2000108.2I12 V14 C26 L29 F35 N36 L38I12-L92 HydrophobicContact CB-CD2 3.91Å; I12-L92 HydrophobicContact CD1-CD2 4.26Å; I12-L92 HydrophobicContact CG2-CD2 4.21Å; V14-L92 HydrophobicContact CG2-CB 4.43Å; V14-L92 HydrophobicContact CG2-CD2 4.08Å; C26-L92 HydrophobicContact CB-CD1 3.8Å; L29-L92 HydrophobicContact CB-CD1 3.72Å; L29-L92 HydrophobicContact CD1-CD1 3.78Å; L29-L92 HydrophobicContact CD1-CD2 4.15Å; L29-L92 HydrophobicContact CG-CD1 4.41Å; F35-L92 HydrophobicContact CB-CG 4.32Å; F35-L92 HydrophobicContact CD2-CD1 4.13Å; F35-L92 HydrophobicContact CD2-CD2 3.91Å; F35-L92 HydrophobicContact CD2-CG 3.92Å; F35-L92 HydrophobicContact CE2-CD2 4.44Å; N36-L92 PolarHBondContact O-N 2.8Å; L38-L92 CarbonylContact C-O 3.52Å; L38-L92 WeakPolarHBondContact CA-O 3.27Å; L38-L92 WeakPolarHBondContact CB-O 3.49Å; L38-L92 PolarHBondContact N-O 3.37Å
93S61.2Low73.8Confident0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-10098.9170.6-72.30000109.1I12 V14 L38I12-S93 PolarHBondContact O-N 2.76Å; V14-S93 PolarHBondContact N-O 2.93Å; V14-S93 VanDerWaalsContact N-O 3.09Å; L38-S93 CarbonylContact O-C 3.58Å; L38-S93 VanDerWaalsContact O-CA 3.27Å; L38-S93 WeakPolarHBondContact O-CA 3.45Å
94I61.2Low74.6Confident2 Ų247.5 Ų47.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-82.3135.7179.2-65.8-170000110.9V14 K22 C26 H37 L38 S39 S40 Y96V14-I94 HydrophobicContact CB-CG1 4.28Å; K22-I94 HydrophobicContact CB-CG2 4.38Å; C26-I94 HydrophobicContact CB-CD1 3.28Å; C26-I94 HydrophobicContact CB-CG1 4.08Å; C26-I94 WeakPolarHBondContact SG-CD1 3.44Å; C26-I94 WeakPolarHBondContact SG-CG1 3.2Å; H37-I94 VanDerWaalsContact CD2-CD1 3.48Å; H37-I94 WeakPolarHBondContact CD2-CD1 3.46Å; H37-I94 WeakPolarHBondContact NE2-CD1 3.39Å; H37-I94 VanDerWaalsContact NE2-CG1 3.29Å; H37-I94 WeakPolarHBondContact NE2-CG1 3.38Å; L38-I94 PolarHBondContact O-N 3.17Å; S39-I94 PolarHBondContact OG-O 3.43Å; S40-I94 PolarHBondContact N-O 2.98Å; S40-I94 PolarHBondContact OG-O 3.21Å; I94-Y96 PolarHBondContact O-N 3.39Å
95R69.6Low75.7Confident43 Ų4346.2 Ų46.216%0.16223%0.232CC..THydrogen-bonded Turntrans58.626.8176.3-60.7158-166.5-151.67.5111.9V14 S40 R98V14-R95 PolarHBondContact O-N 3.42Å; S40-R95 PolarHBondContact OG-O 2.99Å; R95-R98 WeakPolarHBondContact O-CG 3.34Å
96Y87.7Confident77.2Confident0 Ų043.3 Ų43.30%022%0.217CC..  trans-138.5139.7165.5-175.1-82.5000106.9F13 V73 L77 I94 Q102 F106F13-Y96 HydrophobicContact CE1-CD1 4.14Å; F13-Y96 HydrophobicContact CE1-CE1 4.49Å; F13-Y96 HydrophobicContact CZ-CD1 4.46Å; F13-Y96 HydrophobicContact CZ-CE1 4.44Å; V73-Y96 HydrophobicContact CG1-CD2 3.71Å; V73-Y96 HydrophobicContact CG1-CE2 3.94Å; L77-Y96 HydrophobicContact CD1-CD1 3.89Å; L77-Y96 HydrophobicContact CD1-CD2 3.41Å; L77-Y96 VanDerWaalsContact CD1-CD2 3.41Å; L77-Y96 HydrophobicContact CD1-CE1 4.12Å; L77-Y96 HydrophobicContact CD1-CE2 3.59Å; L77-Y96 HydrophobicContact CD1-CG 3.52Å; I94-Y96 PolarHBondContact O-N 3.39Å; Y96-Q102 HydrophobicContact CD2-CB 4.33Å; Y96-Q102 HydrophobicContact CD2-CG 4.47Å; Y96-Q102 HydrophobicContact CE1-CB 4.25Å; Y96-Q102 HydrophobicContact CE2-CB 3.62Å; Y96-Q102 HydrophobicContact CE2-CG 3.75Å; Y96-Q102 VanDerWaalsContact CZ-O 3.31Å; Y96-Q102 VanDerWaalsContact OH-C 3.25Å; Y96-Q102 WeakPolarHBondContact OH-CA 3.36Å; Y96-Q102 PolarHBondContact OH-O 2.99Å; Y96-F106 HydrophobicContact CD1-CD2 4.27Å; Y96-F106 HydrophobicContact CE1-CB 3.59Å; Y96-F106 AromaticContact CE1-CD2 3.61Å; Y96-F106 HydrophobicContact CE1-CD2 3.61Å; Y96-F106 AromaticContact CE1-CG 3.83Å; Y96-F106 HydrophobicContact CE1-CG 3.83Å
97P94.1Very high78.9Confident0 Ų039.4 Ų39.40%019%0.19CC..  cis-70.6148-9.530.5-38.8000112.9F13 L15 E99 Q102 G103 V161F13-P97 HydrophobicContact CD2-CG 4.08Å; F13-P97 HydrophobicContact CE2-CG 4.16Å; L15-P97 WeakPolarHBondContact CD2-O 3.27Å; P97-E99 WeakPolarHBondContact CB-O 2.99Å; P97-Q102 HydrophobicContact CB-CB 3.57Å; P97-G103 VanDerWaalsContact CB-N 3.3Å; P97-V161 HydrophobicContact CB-CG1 4.2Å; P97-V161 HydrophobicContact CG-CB 4.32Å; P97-V161 HydrophobicContact CG-CG1 3.28Å; P97-V161 HydrophobicContact CG-CG2 4.36Å
98R92.7Very high80.8Confident67 Ų6738.3 Ų38.325%0.25319%0.186SC..SBendtrans-96.6-14.3172.3-60.2-169.367.5-169.5-5.9113.2L67 R95 L157 T158L67-R98 HydrophobicContact CD2-CB 3.77Å; L67-R98 HydrophobicContact CD2-CG 4.33Å; L67-R98 VanDerWaalsContact CD2-CZ 3.44Å; R95-R98 WeakPolarHBondContact O-CG 3.34Å; R98-L157 CarbonylContact O-C 3.48Å; R98-L157 VanDerWaalsContact O-C 3.31Å; R98-T158 WeakPolarHBondContact O-CA 3.42Å; R98-T158 PolarHBondContact O-N 3.18Å; R98-T158 PolarHBondContact O-OG1 3.04Å
99E94.9Very high82.5Confident45 Ų4537.2 Ų37.221%0.2118%0.179CC..SBendtrans-145.5159.7176.969.3-162154.300109.4L67 P97 D101 Q102 L157 V161L67-E99 HydrophobicContact CD1-CB 4.4Å; P97-E99 WeakPolarHBondContact CB-O 2.99Å; E99-D101 PolarHBondContact O-N 3.33Å; E99-Q102 HydrophobicContact CG-CB 4.12Å; E99-Q102 HydrophobicContact CG-CG 3.68Å; E99-Q102 WeakPolarHBondContact O-CB 3.39Å; E99-Q102 PolarHBondContact O-N 2.95Å; E99-Q102 PolarHBondContact OE1-NE2 3.03Å; E99-L157 WeakPolarHBondContact CA-O 3.35Å; E99-L157 HydrophobicContact CB-CB 4.11Å; E99-V161 VanDerWaalsContact C-CG2 3.43Å
100L95.8Very high84.1Confident55 Ų5533.3 Ų33.329%0.28816%0.156SC..Hα-helixtrans-61-43.3-170.4-178.458.5000113.2Q102 G103 I104 H164L100-Q102 PolarHBondContact O-N 3.47Å; L100-G103 PolarHBondContact O-N 2.94Å; L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.3Å; L100-I104 HydrophobicContact CD2-CD1 4.35Å; L100-I104 HydrophobicContact CG-CD1 3.82Å; L100-I104 HydrophobicContact CG-CG1 4.37Å; L100-I104 PolarHBondContact O-N 2.6Å; L100-I104 VanDerWaalsContact O-N 3.1Å; L100-H164 HydrophobicContact CD1-CB 3.53Å; L100-H164 VanDerWaalsContact CD1-CG 3.49Å
101D96.8Very high85.5Confident105 Ų10532.4 Ų32.456%0.56115%0.151SC*.Hα-helixtrans-62.6-29.9-177.9-69.9-15.1000112.7L70 E99 K105L70-D101 HydrophobicContact CD1-CB 3.96Å; E99-D101 PolarHBondContact O-N 3.33Å; D101-K105 WeakPolarHBondContact O-CB 3.46Å; D101-K105 PolarHBondContact O-N 3Å
102Q95.8Very high87Confident4 Ų436 Ų362%0.01917%0.174CC..Hα-helixtrans-60.8-45.3171.5-78.3175.814.700111.1L70 Y96 P97 E99 L100 F106L70-Q102 HydrophobicContact CB-CG 4.18Å; L70-Q102 HydrophobicContact CD1-CB 4.38Å; L70-Q102 HydrophobicContact CD1-CG 3.81Å; L70-Q102 HydrophobicContact CG-CG 3.73Å; Y96-Q102 HydrophobicContact CD2-CB 4.33Å; Y96-Q102 HydrophobicContact CD2-CG 4.47Å; Y96-Q102 HydrophobicContact CE1-CB 4.25Å; Y96-Q102 HydrophobicContact CE2-CB 3.62Å; Y96-Q102 HydrophobicContact CE2-CG 3.75Å; Y96-Q102 VanDerWaalsContact CZ-O 3.31Å; Y96-Q102 VanDerWaalsContact OH-C 3.25Å; Y96-Q102 WeakPolarHBondContact OH-CA 3.36Å; Y96-Q102 PolarHBondContact OH-O 2.99Å; P97-Q102 HydrophobicContact CB-CB 3.57Å; E99-Q102 HydrophobicContact CG-CB 4.12Å; E99-Q102 HydrophobicContact CG-CG 3.68Å; E99-Q102 WeakPolarHBondContact O-CB 3.39Å; E99-Q102 PolarHBondContact O-N 2.95Å; E99-Q102 PolarHBondContact OE1-NE2 3.03Å; L100-Q102 PolarHBondContact O-N 3.47Å; Q102-F106 VanDerWaalsContact O-CB 3.25Å; Q102-F106 WeakPolarHBondContact O-CB 3.46Å; Q102-F106 PolarHBondContact O-N 3.29Å
103G95.3Very high88.7Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-64.7-50.5179.900000111.5P97 L100 K105 F106 E107P97-G103 VanDerWaalsContact CB-N 3.3Å; L100-G103 PolarHBondContact O-N 2.94Å; G103-K105 PolarHBondContact O-N 3.34Å; G103-F106 PolarHBondContact O-N 3.43Å; G103-E107 PolarHBondContact O-N 3.36Å
104I95.8Very high90.1Very high74 Ų7438.2 Ų38.238%0.37919%0.186SC..Hα-helixtrans-58.1-48.9179.9-65.4173.5000110.8L100 F106 E107 K108L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.3Å; L100-I104 HydrophobicContact CD2-CD1 4.35Å; L100-I104 HydrophobicContact CG-CD1 3.82Å; L100-I104 HydrophobicContact CG-CG1 4.37Å; L100-I104 PolarHBondContact O-N 2.6Å; L100-I104 VanDerWaalsContact O-N 3.1Å; I104-F106 PolarHBondContact O-N 3.09Å; I104-E107 PolarHBondContact O-N 2.99Å; I104-K108 WeakPolarHBondContact O-CB 3.42Å; I104-K108 PolarHBondContact O-N 2.89Å
105K95Very high91.8Very high48 Ų4838.1 Ų38.121%0.20919%0.185CC..Hα-helixtrans-70.1-33.6-177.4-172.8158.4153.2157.70112.3L70 E71 L74 D101 G103 K108 E109L70-K105 HydrophobicContact CD1-CB 4.46Å; L70-K105 HydrophobicContact CD2-CB 4.38Å; L70-K105 HydrophobicContact CD2-CD 3.58Å; L70-K105 HydrophobicContact CD2-CG 4.22Å; E71-K105 WeakPolarHBondContact OE1-CE 3.47Å; E71-K105 IonicContact OE1-NZ 3.53Å; E71-K105 PolarHBondContact OE1-NZ 3.47Å; E71-K105 WeakPolarHBondContact OE2-CE 3.28Å; E71-K105 IonicContact OE2-NZ 2.76Å; E71-K105 PolarHBondContact OE2-NZ 3.49Å; L74-K105 HydrophobicContact CD2-CD 4.2Å; L74-K105 HydrophobicContact CD2-CG 3.74Å; D101-K105 WeakPolarHBondContact O-CB 3.46Å; D101-K105 PolarHBondContact O-N 3Å; G103-K105 PolarHBondContact O-N 3.34Å; K105-K108 PolarHBondContact O-N 2.95Å; K105-E109 WeakPolarHBondContact CE-OE1 3.32Å; K105-E109 HydrophobicContact CG-CG 4.32Å; K105-E109 IonicContact NZ-OE1 3.13Å; K105-E109 WeakPolarHBondContact O-CB 3.42Å; K105-E109 PolarHBondContact O-N 2.98Å
106F92.9Very high93Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-61.8-49.7172.1-176.8-80.2000111.9V11 F13 L74 M81 Y96 Q102 G103 I104 K108 E109 V110 C111V11-F106 HydrophobicContact CB-CE1 4.11Å; V11-F106 HydrophobicContact CB-CZ 4.25Å; V11-F106 HydrophobicContact CG1-CE1 3.93Å; V11-F106 HydrophobicContact CG1-CZ 3.86Å; V11-F106 HydrophobicContact CG2-CE1 4.17Å; V11-F106 HydrophobicContact CG2-CZ 3.96Å; F13-F106 AromaticContact CE1-CD1 3.84Å; F13-F106 HydrophobicContact CE1-CD1 3.84Å; F13-F106 AromaticContact CE1-CE1 3.85Å; F13-F106 HydrophobicContact CE1-CE1 3.85Å; F13-F106 HydrophobicContact CE1-CG 4.2Å; F13-F106 HydrophobicContact CE1-CZ 4.21Å; F13-F106 HydrophobicContact CZ-CB 4.25Å; F13-F106 AromaticContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD1 3.47Å; F13-F106 VanDerWaalsContact CZ-CD1 3.47Å; F13-F106 AromaticContact CZ-CE1 3.91Å; F13-F106 HydrophobicContact CZ-CE1 3.91Å; F13-F106 AromaticContact CZ-CG 3.87Å; F13-F106 HydrophobicContact CZ-CG 3.87Å; L74-F106 HydrophobicContact CD1-CB 4.33Å; L74-F106 HydrophobicContact CD1-CD2 3.88Å; M81-F106 HydrophobicContact CE-CZ 3.94Å; M81-F106 HydrophobicContact SD-CE2 3.83Å; M81-F106 HydrophobicContact SD-CZ 3.81Å; Y96-F106 HydrophobicContact CD1-CD2 4.27Å; Y96-F106 HydrophobicContact CE1-CB 3.59Å; Y96-F106 AromaticContact CE1-CD2 3.61Å; Y96-F106 HydrophobicContact CE1-CD2 3.61Å; Y96-F106 AromaticContact CE1-CG 3.83Å; Y96-F106 HydrophobicContact CE1-CG 3.83Å; Q102-F106 VanDerWaalsContact O-CB 3.25Å; Q102-F106 WeakPolarHBondContact O-CB 3.46Å; Q102-F106 PolarHBondContact O-N 3.29Å; G103-F106 PolarHBondContact O-N 3.43Å; I104-F106 PolarHBondContact O-N 3.09Å; F106-K108 PolarHBondContact O-N 3.49Å; F106-E109 PolarHBondContact O-N 3.37Å; F106-V110 HydrophobicContact CD1-CB 4.08Å; F106-V110 HydrophobicContact CD2-CB 4.11Å; F106-V110 HydrophobicContact CD2-CG1 4.45Å; F106-V110 HydrophobicContact CD2-CG2 3.85Å; F106-V110 HydrophobicContact CE1-CB 3.96Å; F106-V110 HydrophobicContact CE1-CG1 4.01Å; F106-V110 HydrophobicContact CE2-CB 3.99Å; F106-V110 HydrophobicContact CE2-CG1 3.84Å; F106-V110 HydrophobicContact CE2-CG2 4.01Å; F106-V110 HydrophobicContact CG-CB 4.15Å; F106-V110 HydrophobicContact CG-CG2 4.16Å; F106-V110 HydrophobicContact CZ-CB 3.92Å; F106-V110 HydrophobicContact CZ-CG1 3.58Å; F106-V110 HydrophobicContact CZ-CG2 4.44Å; F106-V110 WeakPolarHBondContact O-CA 3.48Å; F106-V110 VanDerWaalsContact O-CB 3.22Å; F106-V110 WeakPolarHBondContact O-CB 3.25Å; F106-V110 PolarHBondContact O-N 3.1Å; F106-C111 PolarHBondContact O-N 3.27Å
107E92.5Very high93.4Very high37 Ų3736.1 Ų36.117%0.17318%0.178CC..Hα-helixtrans-63.3-34.5179.4-71.5-168.7110.800112.2G103 I104 C111 C113 Y165 K170G103-E107 PolarHBondContact O-N 3.36Å; I104-E107 PolarHBondContact O-N 2.99Å; E107-C111 WeakPolarHBondContact CA-O 3.48Å; E107-C113 HydrophobicContact CG-CB 4.17Å; E107-C113 WeakPolarHBondContact OE1-CB 3.44Å; E107-C113 PolarHBondContact OE1-N 3.5Å; E107-Y165 VanDerWaalsContact CD-OH 3.29Å; E107-Y165 WeakPolarHBondContact OE2-CE1 3.29Å; E107-Y165 PolarHBondContact OE2-OH 2.98Å; E107-K170 IonicContact OE1-NZ 3.16Å; E107-K170 PolarHBondContact OE1-NZ 2.99Å
108K92.2Very high93.6Very high153 Ų15336.8 Ų36.867%0.66518%0.181SC*.Hα-helixtrans-67.1-42.1175.3-174.7-179.6-179.5-178.70113.2T2 I104 K105 F106T2-K108 PolarHBondContact OG1-O 3.41Å; I104-K108 WeakPolarHBondContact O-CB 3.42Å; I104-K108 PolarHBondContact O-N 2.89Å; K105-K108 PolarHBondContact O-N 2.95Å; F106-K108 PolarHBondContact O-N 3.49Å
109E90.3Very high93.8Very high41 Ų4133.7 Ų33.719%0.19217%0.17CC..Hα-helixtrans-105.3-14.6-169.4-66.7-166.7-162.600115.5T2 D3 K78 K105 F106T2-E109 WeakPolarHBondContact CA-O 3.44Å; D3-E109 PolarHBondContact N-O 2.95Å; K78-E109 IonicContact NZ-OE2 3.8Å; K78-E109 PolarHBondContact NZ-OE2 3.42Å; K105-E109 WeakPolarHBondContact CE-OE1 3.32Å; K105-E109 HydrophobicContact CG-CG 4.32Å; K105-E109 IonicContact NZ-OE1 3.13Å; K105-E109 WeakPolarHBondContact O-CB 3.42Å; K105-E109 PolarHBondContact O-N 2.98Å; F106-E109 PolarHBondContact O-N 3.37Å
110V87.7Confident94Very high0 Ų036 Ų360%018%0.183CC..THydrogen-bonded Turntrans-120.5-74.2-172.2-172.40000110.8T2 L6 L74 K78 M81 F106T2-V110 WeakPolarHBondContact CG2-O 3.32Å; L6-V110 HydrophobicContact CB-CG1 4.13Å; L6-V110 HydrophobicContact CD1-CG1 3.82Å; L6-V110 HydrophobicContact CG-CG1 4.46Å; L74-V110 HydrophobicContact CD1-CG2 3.83Å; K78-V110 HydrophobicContact CD-CG2 4.03Å; K78-V110 HydrophobicContact CG-CG2 3.67Å; M81-V110 HydrophobicContact CE-CG1 3.65Å; M81-V110 HydrophobicContact SD-CG1 3.72Å; F106-V110 HydrophobicContact CD1-CB 4.08Å; F106-V110 HydrophobicContact CD2-CB 4.11Å; F106-V110 HydrophobicContact CD2-CG1 4.45Å; F106-V110 HydrophobicContact CD2-CG2 3.85Å; F106-V110 HydrophobicContact CE1-CB 3.96Å; F106-V110 HydrophobicContact CE1-CG1 4.01Å; F106-V110 HydrophobicContact CE2-CB 3.99Å; F106-V110 HydrophobicContact CE2-CG1 3.84Å; F106-V110 HydrophobicContact CE2-CG2 4.01Å; F106-V110 HydrophobicContact CG-CB 4.15Å; F106-V110 HydrophobicContact CG-CG2 4.16Å; F106-V110 HydrophobicContact CZ-CB 3.92Å; F106-V110 HydrophobicContact CZ-CG1 3.58Å; F106-V110 HydrophobicContact CZ-CG2 4.44Å; F106-V110 WeakPolarHBondContact O-CA 3.48Å; F106-V110 VanDerWaalsContact O-CB 3.22Å; F106-V110 WeakPolarHBondContact O-CB 3.25Å; F106-V110 PolarHBondContact O-N 3.1Å
111C88Confident94Very high0 Ų034 Ų340%017%0.173CC..  trans-171.4156.6176.360.50000110.2L6 V11 F106 E107L6-C111 WeakPolarHBondContact O-CB 3.26Å; V11-C111 WeakPolarHBondContact CG2-SG 3.38Å; F106-C111 PolarHBondContact O-N 3.27Å; E107-C111 WeakPolarHBondContact CA-O 3.48Å
112P90.3Very high94.1Very high81 Ų8131.8 Ų31.853%0.52617%0.166SC..  trans-57140.3172.4-24.234.8000112.6L114P112-L114 PolarHBondContact O-N 3.02Å
113C92Very high94.1Very high2 Ų235.8 Ų35.81%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-70.4123.2169.71770000108.9F13 E107 C115 Y165 K170F13-C113 HydrophobicContact CD2-CB 3.89Å; F13-C113 WeakPolarHBondContact CD2-SG 3.46Å; F13-C113 HydrophobicContact CE2-CB 3.65Å; F13-C113 HydrophobicContact CZ-CB 4.17Å; E107-C113 HydrophobicContact CG-CB 4.17Å; E107-C113 WeakPolarHBondContact OE1-CB 3.44Å; E107-C113 PolarHBondContact OE1-N 3.5Å; C113-C115 VanDerWaalsContact SG-C 3.59Å; C113-C115 PolarHBondContact SG-O 3.06Å; C113-Y165 HydrophobicContact CB-CE1 4.01Å; C113-K170 WeakPolarHBondContact O-CE 3.49Å; C113-K170 PolarHBondContact O-NZ 3.34Å
114L92.6Very high94.2Very high46 Ų4643.4 Ų43.424%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-65.3-55.2176.2175.263.6000110.3K10 V11 I12 P112 V196K10-L114 HydrophobicContact CB-CD2 4.35Å; K10-L114 HydrophobicContact CD-CD2 4.45Å; V11-L114 WeakPolarHBondContact O-CB 3.41Å; V11-L114 PolarHBondContact O-N 3.24Å; I12-L114 HydrophobicContact CD1-CD2 4.39Å; I12-L114 HydrophobicContact CG1-CB 4.43Å; I12-L114 HydrophobicContact CG1-CD2 4.12Å; P112-L114 PolarHBondContact O-N 3.02Å; L114-V196 HydrophobicContact CD2-CG2 4.03Å
115C95.1Very high94.2Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-159.1167.4175.966.70000110.7I12 F13 C113 K170 F194I12-C115 WeakPolarHBondContact CA-O 3.17Å; F13-C115 PolarHBondContact N-O 3.13Å; C113-C115 VanDerWaalsContact SG-C 3.59Å; C113-C115 PolarHBondContact SG-O 3.06Å; C115-K170 CarbonylContact C-O 3.31Å; C115-K170 VanDerWaalsContact CA-O 3.29Å; C115-K170 WeakPolarHBondContact CA-O 3.27Å; C115-K170 VanDerWaalsContact CB-O 3.3Å; C115-K170 WeakPolarHBondContact CB-O 3.47Å; C115-F194 HydrophobicContact CB-CD1 3.5Å; C115-F194 VanDerWaalsContact CB-CD1 3.5Å; C115-F194 HydrophobicContact CB-CD2 4.27Å; C115-F194 HydrophobicContact CB-CE1 3.49Å; C115-F194 VanDerWaalsContact CB-CE1 3.49Å; C115-F194 HydrophobicContact CB-CE2 4.27Å; C115-F194 HydrophobicContact CB-CG 3.89Å; C115-F194 HydrophobicContact CB-CZ 3.89Å
116V96.1Very high94.3Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-115.8123.5176-178.70000108.4F13 L15 Y165 K170 V171 I172F13-V116 HydrophobicContact CB-CG1 4.43Å; F13-V116 HydrophobicContact CB-CG2 4.17Å; F13-V116 HydrophobicContact CD2-CG2 4.34Å; F13-V116 CarbonylContact O-C 3.57Å; F13-V116 VanDerWaalsContact O-CA 3.28Å; F13-V116 WeakPolarHBondContact O-CA 3.43Å; L15-V116 HydrophobicContact CB-CG1 4.23Å; L15-V116 HydrophobicContact CD1-CG1 3.66Å; L15-V116 HydrophobicContact CG-CG1 3.81Å; V116-Y165 HydrophobicContact CG2-CD1 4.16Å; V116-Y165 HydrophobicContact CG2-CD2 3.72Å; V116-Y165 HydrophobicContact CG2-CE2 4.49Å; V116-Y165 HydrophobicContact CG2-CG 3.54Å; V116-K170 PolarHBondContact N-O 3.02Å; V116-V171 HydrophobicContact CB-CG2 3.97Å; V116-V171 HydrophobicContact CG1-CG2 4.4Å; V116-V171 HydrophobicContact CG2-CG2 4.44Å; V116-V171 CarbonylContact O-C 3.54Å; V116-V171 WeakPolarHBondContact O-CA 3.23Å; V116-I172 PolarHBondContact O-N 3.34Å
117I96.4Very high94.4Very high1 Ų145.1 Ų45.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-92.1114.7166.6-54.3169000107.3I12 F13 V14 L15 L29 F119 I174 V187 L191I12-I117 HydrophobicContact CG2-CD1 3.83Å; I12-I117 HydrophobicContact CG2-CG1 3.84Å; F13-I117 PolarHBondContact O-N 3.38Å; V14-I117 HydrophobicContact CG2-CD1 4.33Å; L15-I117 PolarHBondContact N-O 2.78Å; L29-I117 HydrophobicContact CD1-CD1 4.1Å; I117-F119 HydrophobicContact CG2-CD2 4.17Å; I117-F119 HydrophobicContact CG2-CE1 4.31Å; I117-F119 HydrophobicContact CG2-CE2 3.68Å; I117-F119 HydrophobicContact CG2-CZ 3.75Å; I117-I174 HydrophobicContact CG2-CG1 4.27Å; I117-V187 HydrophobicContact CD1-CG1 3.98Å; I117-L191 HydrophobicContact CD1-CD1 4.09Å; I117-L191 HydrophobicContact CD1-CD2 4.04Å; I117-L191 HydrophobicContact CD1-CG 4.28Å; I117-L191 HydrophobicContact CG1-CD2 4.29Å
118N97.5Very high94.4Very high14 Ų1451.1 Ų51.18%0.07525%0.252CS..EExtended strand (participates in β ladder)trans-102.4113174.1176.640.3000110.2D120 I162 V171 I172 T173 I174N118-D120 PolarHBondContact O-N 3.23Å; N118-I162 HydrophobicContact CB-CG2 4.33Å; N118-I162 VanDerWaalsContact OD1-CD1 3.27Å; N118-I162 WeakPolarHBondContact OD1-CD1 3.26Å; N118-V171 HydrophobicContact CB-CG1 4.05Å; N118-I172 PolarHBondContact N-O 3.26Å; N118-T173 WeakPolarHBondContact O-CA 3.13Å; N118-I174 PolarHBondContact O-N 3Å
119F97.8Very high94.6Very high2 Ų247.5 Ų47.51%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-86.1106.1171.6-70.4-74.4000110.3V14 L15 G16 K22 Q25 I117 I174 A176 I183 V187V14-F119 HydrophobicContact CG1-CD2 3.97Å; V14-F119 HydrophobicContact CG1-CE2 3.58Å; L15-F119 PolarHBondContact O-N 3.02Å; G16-F119 WeakPolarHBondContact CA-O 3.27Å; K22-F119 HydrophobicContact CB-CD2 4.46Å; K22-F119 HydrophobicContact CG-CD2 3.77Å; K22-F119 HydrophobicContact CG-CE2 4.44Å; Q25-F119 HydrophobicContact CB-CE1 4.01Å; Q25-F119 HydrophobicContact CB-CE2 3.95Å; Q25-F119 HydrophobicContact CB-CZ 3.38Å; Q25-F119 HydrophobicContact CG-CD1 4.45Å; Q25-F119 HydrophobicContact CG-CE1 3.65Å; Q25-F119 HydrophobicContact CG-CE2 4.36Å; Q25-F119 HydrophobicContact CG-CZ 3.58Å; I117-F119 HydrophobicContact CG2-CD2 4.17Å; I117-F119 HydrophobicContact CG2-CE1 4.31Å; I117-F119 HydrophobicContact CG2-CE2 3.68Å; I117-F119 HydrophobicContact CG2-CZ 3.75Å; F119-I174 HydrophobicContact CD1-CB 4.09Å; F119-I174 HydrophobicContact CD1-CG2 4.25Å; F119-I174 HydrophobicContact CE1-CB 4.21Å; F119-I174 HydrophobicContact CE1-CG2 4.19Å; F119-A176 HydrophobicContact CB-CB 3.95Å; F119-A176 HydrophobicContact CD1-CB 4Å; F119-A176 HydrophobicContact CG-CB 4.43Å; F119-I183 HydrophobicContact CD1-CG2 4.03Å; F119-I183 HydrophobicContact CE1-CG2 3.59Å; F119-V187 HydrophobicContact CE1-CG2 3.55Å; F119-V187 HydrophobicContact CZ-CG2 3.65Å
120D97.8Very high94.7Very high92 Ų9245.6 Ų45.649%0.49223%0.225SC..EExtended strand (participates in β ladder)trans-95.4128.8-180-173.138.6000111N118 T173 I174 A176N118-D120 PolarHBondContact O-N 3.23Å; D120-T173 HydrophobicContact CB-CG2 3.85Å; D120-I174 PolarHBondContact N-O 2.98Å; D120-A176 PolarHBondContact O-N 3.3Å
121V97.3Very high94.8Very high13 Ų1348.6 Ų48.68%0.07924%0.241CC..  trans-164.6149.4179.354.60000108.4V125 M126 A176V121-V125 HydrophobicContact CG2-CB 3.67Å; V121-V125 HydrophobicContact CG2-CG1 3.48Å; V121-V125 VanDerWaalsContact CG2-CG1 3.48Å; V121-V125 HydrophobicContact CG2-CG2 4.41Å; V121-M126 HydrophobicContact CG1-CG 3.59Å; V121-M126 HydrophobicContact CG1-SD 4Å; V121-M126 WeakPolarHBondContact O-CE 3.21Å; V121-A176 HydrophobicContact CB-CB 4.05Å; V121-A176 HydrophobicContact CG1-CB 4.13Å
122S97.2Very high95Very high60 Ų6054.6 Ų54.642%0.4227%0.267SS..  trans-60.2148.8-176.969.10000112.8E124 V125 M126S122-E124 PolarHBondContact O-N 2.66Å; S122-V125 PolarHBondContact O-N 3.08Å; S122-V125 VanDerWaalsContact OG-CG2 3.32Å; S122-V125 WeakPolarHBondContact OG-CG2 3.45Å; S122-V125 PolarHBondContact OG-N 3.12Å; S122-M126 WeakPolarHBondContact O-CG 3.48Å; S122-M126 PolarHBondContact O-N 3.19Å
123E96.8Very high95.1Very high87 Ų8753.5 Ų53.541%0.40725%0.252SS..Hα-helixtrans-58.2-37176.1-171.5171.7128.900112.1M126 R127 F151E123-M126 HydrophobicContact CB-CE 4.36Å; E123-M126 WeakPolarHBondContact O-CB 2.86Å; E123-M126 PolarHBondContact O-N 2.97Å; E123-R127 WeakPolarHBondContact O-CB 3.27Å; E123-R127 PolarHBondContact O-N 2.98Å; E123-F151 HydrophobicContact CG-CD1 3.86Å; E123-F151 HydrophobicContact CG-CD2 3.84Å; E123-F151 HydrophobicContact CG-CE1 3.89Å; E123-F151 HydrophobicContact CG-CE2 3.82Å; E123-F151 HydrophobicContact CG-CG 3.87Å; E123-F151 HydrophobicContact CG-CZ 3.86Å
124E96.1Very high94.9Very high161 Ų16155.4 Ų55.475%0.75227%0.268SS*.Hα-helixtrans-58.3-50.3175.8-173.1-170.2162.200112.1S122 M126 R127 K128S122-E124 PolarHBondContact O-N 2.66Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.72Å; E124-R127 PolarHBondContact O-N 3.02Å; E124-K128 PolarHBondContact O-N 2.79Å
125V96.8Very high94.8Very high46 Ų4659.5 Ų59.528%0.27929%0.286SS..Hα-helixtrans-64.4-41.3178.2169.60000110.4V121 S122 R129V121-V125 HydrophobicContact CG2-CB 3.67Å; V121-V125 HydrophobicContact CG2-CG1 3.48Å; V121-V125 VanDerWaalsContact CG2-CG1 3.48Å; V121-V125 HydrophobicContact CG2-CG2 4.41Å; S122-V125 PolarHBondContact O-N 3.08Å; S122-V125 VanDerWaalsContact OG-CG2 3.32Å; S122-V125 WeakPolarHBondContact OG-CG2 3.45Å; S122-V125 PolarHBondContact OG-N 3.12Å; V125-R129 WeakPolarHBondContact O-CB 3.45Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.38Å; V125-R129 PolarHBondContact O-N 3.32Å
126M96.1Very high94.4Very high8 Ų865 Ų654%0.03932%0.32CS..Hα-helixtrans-60.2-46.6175.2-74.5-166.8-69.600112.2G17 P18 V121 S122 E123 E124 R129 L130 F151G17-M126 VanDerWaalsContact C-SD 3.56Å; G17-M126 WeakPolarHBondContact CA-SD 3.49Å; P18-M126 VanDerWaalsContact O-CB 3.3Å; P18-M126 WeakPolarHBondContact O-CB 3.29Å; P18-M126 VanDerWaalsContact O-SD 3.39Å; V121-M126 HydrophobicContact CG1-CG 3.59Å; V121-M126 HydrophobicContact CG1-SD 4Å; V121-M126 WeakPolarHBondContact O-CE 3.21Å; S122-M126 WeakPolarHBondContact O-CG 3.48Å; S122-M126 PolarHBondContact O-N 3.19Å; E123-M126 HydrophobicContact CB-CE 4.36Å; E123-M126 WeakPolarHBondContact O-CB 2.86Å; E123-M126 PolarHBondContact O-N 2.97Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.72Å; M126-R129 PolarHBondContact O-N 3.23Å; M126-L130 VanDerWaalsContact O-CG 3.26Å; M126-L130 WeakPolarHBondContact O-CG 3.38Å; M126-L130 PolarHBondContact O-N 3.3Å; M126-F151 HydrophobicContact CB-CE1 3.59Å; M126-F151 HydrophobicContact CB-CZ 3.67Å; M126-F151 HydrophobicContact CE-CD1 4.21Å; M126-F151 HydrophobicContact CE-CE1 3.76Å; M126-F151 HydrophobicContact CG-CE1 4.42Å; M126-F151 HydrophobicContact SD-CE1 4.09Å
127R95.1Very high93.8Very high104 Ų10466.5 Ų66.539%0.39233%0.33SS..Hα-helixtrans-62.1-47.5179.7-169179.2-166.21710.4110.6E123 E124 R129 L130 L131 E144 I147 F151E123-R127 WeakPolarHBondContact O-CB 3.27Å; E123-R127 PolarHBondContact O-N 2.98Å; E124-R127 PolarHBondContact O-N 3.02Å; R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 3.49Å; R127-L130 PolarHBondContact O-N 2.78Å; R127-L130 VanDerWaalsContact O-N 3.1Å; R127-L131 HydrophobicContact CG-CD1 4.24Å; R127-L131 WeakPolarHBondContact O-CG 3.5Å; R127-L131 PolarHBondContact O-N 3.09Å; R127-E144 IonicContact CZ-OE1 3.63Å; R127-E144 IonicContact NE-OE1 2.72Å; R127-E144 PolarHBondContact NE-OE1 3.39Å; R127-E144 IonicContact NH2-OE1 3.06Å; R127-E144 PolarHBondContact NH2-OE1 3.32Å; R127-I147 HydrophobicContact CG-CG2 4.42Å; R127-F151 HydrophobicContact CB-CE2 3.95Å; R127-F151 HydrophobicContact CB-CZ 4.09Å; R127-F151 HydrophobicContact CG-CE2 4.29Å
128K94.4Very high93.1Very high163 Ų16374.6 Ų74.671%0.70937%0.374SS*.Hα-helixtrans-56.1-43.9175.2-174.6176-179.11760112E124 K132E124-K128 PolarHBondContact O-N 2.79Å; K128-K132 WeakPolarHBondContact O-CB 3.38Å; K128-K132 PolarHBondContact O-N 2.79Å; K128-K132 VanDerWaalsContact O-N 3.07Å
129R94.9Very high92.5Very high77 Ų7776.9 Ų76.929%0.29138%0.381SS..Hα-helixtrans-65.6-38.9176.5-71.9171.5-179.61772.3112.4G19 V125 M126 R127 R133 A176G19-R129 WeakPolarHBondContact O-CD 3.43Å; V125-R129 WeakPolarHBondContact O-CB 3.45Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.38Å; V125-R129 PolarHBondContact O-N 3.32Å; M126-R129 PolarHBondContact O-N 3.23Å; R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 3.49Å; R129-R133 WeakPolarHBondContact O-CB 3.5Å; R129-R133 PolarHBondContact O-N 3.39Å; R129-A176 PolarHBondContact NH1-O 3.42Å; R129-A176 PolarHBondContact NH2-O 3.37Å
130L92.6Very high91.7Very high0 Ų079.8 Ų79.80%040%0.399CS..Hα-helixtrans-67-47.6178.1-70.6170000111.6P18 M126 R127 K132 R133 A134 I147 F151P18-L130 HydrophobicContact CB-CD1 3.84Å; P18-L130 HydrophobicContact CB-CD2 4.22Å; P18-L130 HydrophobicContact CG-CD1 4.04Å; M126-L130 VanDerWaalsContact O-CG 3.26Å; M126-L130 WeakPolarHBondContact O-CG 3.38Å; M126-L130 PolarHBondContact O-N 3.3Å; R127-L130 PolarHBondContact O-N 2.78Å; R127-L130 VanDerWaalsContact O-N 3.1Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.08Å; L130-R133 CarbonylContact O-C 3.52Å; L130-R133 WeakPolarHBondContact O-CA 3.46Å; L130-R133 WeakPolarHBondContact O-CB 3.22Å; L130-R133 PolarHBondContact O-N 3.21Å; L130-A134 PolarHBondContact O-N 3.46Å; L130-I147 HydrophobicContact CB-CD1 3.73Å; L130-I147 HydrophobicContact CB-CG1 4.16Å; L130-I147 HydrophobicContact CD1-CB 4.44Å; L130-I147 HydrophobicContact CD1-CD1 4.45Å; L130-I147 HydrophobicContact CD1-CG1 4.03Å; L130-I147 HydrophobicContact CD1-CG2 3.73Å; L130-F151 HydrophobicContact CD1-CE1 4.29Å; L130-F151 HydrophobicContact CD1-CE2 4.25Å; L130-F151 HydrophobicContact CD1-CZ 3.71Å
131L91Very high91Very high64 Ų6476 Ų7634%0.33538%0.379SS..Hα-helixtrans-60.3-44.4177.4-66.5175.9000111.4R127 R133 A134 E135 E144 I147R127-L131 HydrophobicContact CG-CD1 4.24Å; R127-L131 WeakPolarHBondContact O-CG 3.5Å; R127-L131 PolarHBondContact O-N 3.09Å; L131-R133 PolarHBondContact O-N 3.4Å; L131-A134 WeakPolarHBondContact O-CB 3.4Å; L131-A134 PolarHBondContact O-N 3.32Å; L131-A134 VanDerWaalsContact O-N 3.11Å; L131-E135 PolarHBondContact O-N 2.86Å; L131-E144 WeakPolarHBondContact CD2-OE2 3.09Å; L131-I147 HydrophobicContact CD2-CD1 3.92Å
132K92.1Very high90.4Very high126 Ų12675.5 Ų75.555%0.54838%0.376SS..Hα-helixtrans-62.3-33.1175.3-169.864.7-171.7165.40112.8K128 L130 E135K128-K132 WeakPolarHBondContact O-CB 3.38Å; K128-K132 PolarHBondContact O-N 2.79Å; K128-K132 VanDerWaalsContact O-N 3.07Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.08Å; K132-E135 WeakPolarHBondContact CD-OE2 3.19Å; K132-E135 WeakPolarHBondContact CE-OE2 3.44Å; K132-E135 IonicContact NZ-OE1 3.41Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.9Å
133R90.7Very high89.8Confident57 Ų5775.8 Ų75.822%0.21537%0.373CS..Hα-helixtrans-75.3-31.8175.6-169.5175.372.2-145.4-3.5112.2R129 L130 L131 E135 T136 S137 D142R129-R133 WeakPolarHBondContact O-CB 3.5Å; R129-R133 PolarHBondContact O-N 3.39Å; L130-R133 CarbonylContact O-C 3.52Å; L130-R133 WeakPolarHBondContact O-CA 3.46Å; L130-R133 WeakPolarHBondContact O-CB 3.22Å; L130-R133 PolarHBondContact O-N 3.21Å; L131-R133 PolarHBondContact O-N 3.4Å; R133-E135 PolarHBondContact O-N 3.31Å; R133-T136 PolarHBondContact O-N 3.44Å; R133-T136 VanDerWaalsContact O-N 3.11Å; R133-T136 PolarHBondContact O-OG1 3.48Å; R133-S137 VanDerWaalsContact O-CB 3.26Å; R133-S137 WeakPolarHBondContact O-CB 3.29Å; R133-S137 PolarHBondContact O-N 3.33Å; R133-S137 PolarHBondContact O-OG 3.11Å; R133-D142 IonicContact CZ-OD1 3.56Å; R133-D142 IonicContact CZ-OD2 3.34Å; R133-D142 IonicContact NE-OD1 3.93Å; R133-D142 IonicContact NE-OD2 3.72Å; R133-D142 PolarHBondContact NE-OD2 3.32Å; R133-D142 VanDerWaalsContact NH2-CG 3.25Å; R133-D142 IonicContact NH2-OD1 2.71Å; R133-D142 PolarHBondContact NH2-OD1 2.99Å; R133-D142 IonicContact NH2-OD2 3.98Å; R133-D142 PolarHBondContact NH2-OD2 3.19Å
134A88.9Confident89.3Confident42 Ų4275.5 Ų75.535%0.34737%0.371SS..Hα-helixtrans-60.2-32.6175.700000111.8L130 L131 T136 D142L130-A134 PolarHBondContact O-N 3.46Å; L131-A134 WeakPolarHBondContact O-CB 3.4Å; L131-A134 PolarHBondContact O-N 3.32Å; L131-A134 VanDerWaalsContact O-N 3.11Å; A134-T136 VanDerWaalsContact C-N 3.26Å; A134-T136 PolarHBondContact O-N 2.91Å; A134-D142 HydrophobicContact CB-CB 4.08Å; A134-D142 WeakPolarHBondContact CB-O 3.36Å
135E90Very high89Confident132 Ų13273.9 Ų73.962%0.61736%0.364SS*.THydrogen-bonded Turntrans-64.2-27.9175.9-64.1170.2-158.500113.7L131 K132 R133L131-E135 PolarHBondContact O-N 2.86Å; K132-E135 WeakPolarHBondContact CD-OE2 3.19Å; K132-E135 WeakPolarHBondContact CE-OE2 3.44Å; K132-E135 IonicContact NZ-OE1 3.41Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.9Å; R133-E135 PolarHBondContact O-N 3.31Å
136T87.8Confident88.7Confident115 Ų11571.9 Ų71.971%0.70635%0.352SS*.THydrogen-bonded Turntrans-120.1-13.4-169.255.30000114.1R133 A134R133-T136 PolarHBondContact O-N 3.44Å; R133-T136 VanDerWaalsContact O-N 3.11Å; R133-T136 PolarHBondContact O-OG1 3.48Å; A134-T136 VanDerWaalsContact C-N 3.26Å; A134-T136 PolarHBondContact O-N 2.91Å
137S82.1Confident88.4Confident32 Ų3271.5 Ų71.522%0.22435%0.35CS..  trans-111.8143-175.481.80000112.4R133 R139R133-S137 VanDerWaalsContact O-CB 3.26Å; R133-S137 WeakPolarHBondContact O-CB 3.29Å; R133-S137 PolarHBondContact O-N 3.33Å; R133-S137 PolarHBondContact O-OG 3.11Å; S137-R139 PolarHBondContact O-N 3.25Å
138N82.2Confident88.3Confident172 Ų17270.3 Ų70.392%0.9235%0.354SS*.  trans-79.929.6173.7-65.3-27.7000112.7V140N138-V140 PolarHBondContact O-N 3.4Å
139R84.9Confident88.2Confident61 Ų6165.2 Ų65.223%0.2333%0.332CS..  trans-83.2109.6-179.8-80.2-171.1168.3153.55.6109.9S137 D141 D142S137-R139 PolarHBondContact O-N 3.25Å; R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 PolarHBondContact O-N 3.1Å; R139-D141 VanDerWaalsContact O-N 3.14Å; R139-D142 HydrophobicContact CB-CB 4.13Å; R139-D142 WeakPolarHBondContact CB-OD2 3.21Å; R139-D142 WeakPolarHBondContact CD-OD2 3.22Å; R139-D142 PolarHBondContact O-N 3.34Å
140V81.6Confident88Confident63 Ų6362.1 Ų62.138%0.38232%0.32SS..THydrogen-bonded Turntrans-60.3-22.6177-590000113.2E63 N138 N143E63-V140 HydrophobicContact CG-CB 3.81Å; E63-V140 HydrophobicContact CG-CG2 3.7Å; N138-V140 PolarHBondContact O-N 3.4Å; V140-N143 PolarHBondContact O-ND2 2.67Å
141D81.7Confident88.1Confident13 Ų1362.3 Ų62.37%0.0732%0.321CS..THydrogen-bonded Turntrans-91.77.8-178.767.8-46000114.8R139 T146 R150R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 PolarHBondContact O-N 3.1Å; R139-D141 VanDerWaalsContact O-N 3.14Å; D141-T146 HydrophobicContact CB-CG2 3.94Å; D141-T146 WeakPolarHBondContact O-CG2 3.48Å; D141-R150 WeakPolarHBondContact O-CD 3.17Å; D141-R150 PolarHBondContact O-NH1 3.39Å; D141-R150 IonicContact OD2-CZ 2.7Å; D141-R150 IonicContact OD2-NE 3.36Å; D141-R150 IonicContact OD2-NH1 3.92Å; D141-R150 IonicContact OD2-NH2 3.42Å; D141-R150 PolarHBondContact OD2-NH2 3.35Å
142D85.2Confident88.3Confident3 Ų366 Ų662%0.01633%0.33CS..  trans-103.424.1178.4-76.2-19.1000113.1R133 A134 R139 R150R133-D142 IonicContact CZ-OD1 3.56Å; R133-D142 IonicContact CZ-OD2 3.34Å; R133-D142 IonicContact NE-OD1 3.93Å; R133-D142 IonicContact NE-OD2 3.72Å; R133-D142 PolarHBondContact NE-OD2 3.32Å; R133-D142 VanDerWaalsContact NH2-CG 3.25Å; R133-D142 IonicContact NH2-OD1 2.71Å; R133-D142 PolarHBondContact NH2-OD1 2.99Å; R133-D142 IonicContact NH2-OD2 3.98Å; R133-D142 PolarHBondContact NH2-OD2 3.19Å; A134-D142 HydrophobicContact CB-CB 4.08Å; A134-D142 WeakPolarHBondContact CB-O 3.36Å; R139-D142 HydrophobicContact CB-CB 4.13Å; R139-D142 WeakPolarHBondContact CB-OD2 3.21Å; R139-D142 WeakPolarHBondContact CD-OD2 3.22Å; R139-D142 PolarHBondContact O-N 3.34Å; D142-R150 IonicContact OD1-CZ 2.88Å; D142-R150 IonicContact OD1-NH1 2.72Å; D142-R150 PolarHBondContact OD1-NH1 3.49Å; D142-R150 IonicContact OD1-NH2 3.21Å
143N85Confident88.3Confident66 Ų6660.7 Ų60.735%0.35331%0.308SS..SBendtrans-87.5159.6169.572.876.3000112.2V140 E145 T146 I147V140-N143 PolarHBondContact O-ND2 2.67Å; N143-E145 PolarHBondContact O-N 2.78Å; N143-E145 PolarHBondContact OD1-N 3.26Å; N143-T146 WeakPolarHBondContact ND2-CB 3.28Å; N143-T146 PolarHBondContact ND2-OG1 3.08Å; N143-T146 PolarHBondContact O-N 3.24Å; N143-T146 PolarHBondContact OD1-N 3.19Å; N143-T146 PolarHBondContact OD1-OG1 3.14Å; N143-I147 WeakPolarHBondContact O-CB 3.39Å; N143-I147 WeakPolarHBondContact O-CG1 3.46Å; N143-I147 PolarHBondContact O-N 2.66Å
144E87Confident88.5Confident80 Ų8058.8 Ų58.837%0.37430%0.302SS..Hα-helixtrans-54.5-48.9-172.5-168.266.2-125.500113.8R127 L131 T146 I147 V148R127-E144 IonicContact CZ-OE1 3.63Å; R127-E144 IonicContact NE-OE1 2.72Å; R127-E144 PolarHBondContact NE-OE1 3.39Å; R127-E144 IonicContact NH2-OE1 3.06Å; R127-E144 PolarHBondContact NH2-OE1 3.32Å; L131-E144 WeakPolarHBondContact CD2-OE2 3.09Å; E144-T146 PolarHBondContact O-N 2.92Å; E144-I147 PolarHBondContact O-N 2.93Å; E144-V148 PolarHBondContact O-N 2.83Å
145E88.9Confident88.8Confident128 Ų12859.5 Ų59.560%0.59830%0.3SS*.Hα-helixtrans-62.8-44.3-178.9-168.9-166.3150.200111N143 V148 K149N143-E145 PolarHBondContact O-N 2.78Å; N143-E145 PolarHBondContact OD1-N 3.26Å; E145-V148 PolarHBondContact O-N 3.03Å; E145-K149 PolarHBondContact O-N 3.46Å; E145-K149 WeakPolarHBondContact OE1-CE 3.37Å; E145-K149 IonicContact OE1-NZ 2.91Å; E145-K149 PolarHBondContact OE1-NZ 2.97Å
146T90Very high89.1Confident4 Ų458.7 Ų58.73%0.02530%0.296CS..Hα-helixtrans-70.1-33.8179.5-560000111.9E63 D141 N143 E144 V148 K149 R150E63-T146 PolarHBondContact O-OG1 2.92Å; D141-T146 HydrophobicContact CB-CG2 3.94Å; D141-T146 WeakPolarHBondContact O-CG2 3.48Å; N143-T146 WeakPolarHBondContact ND2-CB 3.28Å; N143-T146 PolarHBondContact ND2-OG1 3.08Å; N143-T146 PolarHBondContact O-N 3.24Å; N143-T146 PolarHBondContact OD1-N 3.19Å; N143-T146 PolarHBondContact OD1-OG1 3.14Å; E144-T146 PolarHBondContact O-N 2.92Å; T146-V148 PolarHBondContact O-N 3.16Å; T146-K149 PolarHBondContact O-N 2.9Å; T146-R150 HydrophobicContact CG2-CG 4.31Å; T146-R150 WeakPolarHBondContact O-CB 3.17Å; T146-R150 WeakPolarHBondContact O-CG 3.49Å; T146-R150 PolarHBondContact O-N 3.04Å
147I91.4Very high89.4Confident0 Ų056.3 Ų56.30%028%0.279CS..Hα-helixtrans-59-47.5174.6-74.2166.9000110.6R127 L130 L131 N143 E144 K149 R150 F151R127-I147 HydrophobicContact CG-CG2 4.42Å; L130-I147 HydrophobicContact CB-CD1 3.73Å; L130-I147 HydrophobicContact CB-CG1 4.16Å; L130-I147 HydrophobicContact CD1-CB 4.44Å; L130-I147 HydrophobicContact CD1-CD1 4.45Å; L130-I147 HydrophobicContact CD1-CG1 4.03Å; L130-I147 HydrophobicContact CD1-CG2 3.73Å; L131-I147 HydrophobicContact CD2-CD1 3.92Å; N143-I147 WeakPolarHBondContact O-CB 3.39Å; N143-I147 WeakPolarHBondContact O-CG1 3.46Å; N143-I147 PolarHBondContact O-N 2.66Å; E144-I147 PolarHBondContact O-N 2.93Å; I147-K149 PolarHBondContact O-N 3.19Å; I147-R150 PolarHBondContact O-N 3.5Å; I147-R150 VanDerWaalsContact O-N 3.15Å; I147-F151 HydrophobicContact CG2-CD2 3.76Å; I147-F151 HydrophobicContact CG2-CE2 3.31Å; I147-F151 HydrophobicContact CG2-CZ 4.12Å; I147-F151 WeakPolarHBondContact O-CD2 3.21Å; I147-F151 PolarHBondContact O-N 3.23Å
148V92.5Very high90Very high78 Ų7855.3 Ų55.347%0.47327%0.271SS..Hα-helixtrans-59.2-46.4178.2174.20000111.1E144 E145 T146 R150 F151 R152E144-V148 PolarHBondContact O-N 2.83Å; E145-V148 PolarHBondContact O-N 3.03Å; T146-V148 PolarHBondContact O-N 3.16Å; V148-R150 VanDerWaalsContact C-N 3.3Å; V148-R150 PolarHBondContact O-N 2.78Å; V148-F151 PolarHBondContact O-N 2.9Å; V148-R152 PolarHBondContact O-N 3.45Å
149K92.2Very high90.7Very high56 Ų5651.7 Ų51.724%0.24325%0.247CC..Hα-helixtrans-60.8-39.7176.8-68.1176.4-170.61680111.8R64 E145 T146 I147 R152 T153R64-K149 WeakPolarHBondContact O-CD 3.43Å; E145-K149 PolarHBondContact O-N 3.46Å; E145-K149 WeakPolarHBondContact OE1-CE 3.37Å; E145-K149 IonicContact OE1-NZ 2.91Å; E145-K149 PolarHBondContact OE1-NZ 2.97Å; T146-K149 PolarHBondContact O-N 2.9Å; I147-K149 PolarHBondContact O-N 3.19Å; K149-R152 WeakPolarHBondContact O-CB 3.46Å; K149-R152 PolarHBondContact O-N 3.27Å; K149-T153 PolarHBondContact O-N 3.06Å; K149-T153 PolarHBondContact O-OG1 3.36Å; K149-T153 VanDerWaalsContact O-OG1 3.14Å
150R91.4Very high91.3Very high13 Ų1351.4 Ų51.45%0.04925%0.253CS..Hα-helixtrans-68.3-34.1178.2-69.4167.871-167.717.1112.6P18 D141 D142 T146 I147 V148 F154P18-R150 HydrophobicContact CB-CB 4.26Å; P18-R150 HydrophobicContact CG-CB 3.88Å; D141-R150 WeakPolarHBondContact O-CD 3.17Å; D141-R150 PolarHBondContact O-NH1 3.39Å; D141-R150 IonicContact OD2-CZ 2.7Å; D141-R150 IonicContact OD2-NE 3.36Å; D141-R150 IonicContact OD2-NH1 3.92Å; D141-R150 IonicContact OD2-NH2 3.42Å; D141-R150 PolarHBondContact OD2-NH2 3.35Å; D142-R150 IonicContact OD1-CZ 2.88Å; D142-R150 IonicContact OD1-NH1 2.72Å; D142-R150 PolarHBondContact OD1-NH1 3.49Å; D142-R150 IonicContact OD1-NH2 3.21Å; T146-R150 HydrophobicContact CG2-CG 4.31Å; T146-R150 WeakPolarHBondContact O-CB 3.17Å; T146-R150 WeakPolarHBondContact O-CG 3.49Å; T146-R150 PolarHBondContact O-N 3.04Å; I147-R150 PolarHBondContact O-N 3.5Å; I147-R150 VanDerWaalsContact O-N 3.15Å; V148-R150 VanDerWaalsContact C-N 3.3Å; V148-R150 PolarHBondContact O-N 2.78Å; R150-F154 WeakPolarHBondContact O-CB 3.42Å; R150-F154 PolarHBondContact O-N 3.2Å
151F94.4Very high92Very high4 Ų448.4 Ų48.42%0.01824%0.235CC..Hα-helixtrans-65.8-45.2170.2-73.5-49.1000111.5P18 E123 M126 R127 L130 I147 V148 T153 F154 N155P18-F151 HydrophobicContact CG-CD1 3.6Å; P18-F151 HydrophobicContact CG-CE1 3.57Å; P18-F151 HydrophobicContact CG-CG 4.34Å; P18-F151 HydrophobicContact CG-CZ 4.33Å; E123-F151 HydrophobicContact CG-CD1 3.86Å; E123-F151 HydrophobicContact CG-CD2 3.84Å; E123-F151 HydrophobicContact CG-CE1 3.89Å; E123-F151 HydrophobicContact CG-CE2 3.82Å; E123-F151 HydrophobicContact CG-CG 3.87Å; E123-F151 HydrophobicContact CG-CZ 3.86Å; M126-F151 HydrophobicContact CB-CE1 3.59Å; M126-F151 HydrophobicContact CB-CZ 3.67Å; M126-F151 HydrophobicContact CE-CD1 4.21Å; M126-F151 HydrophobicContact CE-CE1 3.76Å; M126-F151 HydrophobicContact CG-CE1 4.42Å; M126-F151 HydrophobicContact SD-CE1 4.09Å; R127-F151 HydrophobicContact CB-CE2 3.95Å; R127-F151 HydrophobicContact CB-CZ 4.09Å; R127-F151 HydrophobicContact CG-CE2 4.29Å; L130-F151 HydrophobicContact CD1-CE1 4.29Å; L130-F151 HydrophobicContact CD1-CE2 4.25Å; L130-F151 HydrophobicContact CD1-CZ 3.71Å; I147-F151 HydrophobicContact CG2-CD2 3.76Å; I147-F151 HydrophobicContact CG2-CE2 3.31Å; I147-F151 HydrophobicContact CG2-CZ 4.12Å; I147-F151 WeakPolarHBondContact O-CD2 3.21Å; I147-F151 PolarHBondContact O-N 3.23Å; V148-F151 PolarHBondContact O-N 2.9Å; F151-T153 PolarHBondContact O-N 2.93Å; F151-F154 PolarHBondContact O-N 2.79Å; F151-F154 VanDerWaalsContact O-N 3.16Å; F151-N155 WeakPolarHBondContact O-CB 3.29Å; F151-N155 PolarHBondContact O-N 2.99Å; F151-N155 PolarHBondContact O-ND2 3.12Å
152R94.6Very high92.7Very high141 Ų14148.1 Ų48.153%0.53223%0.234SC..Hα-helixtrans-56.1-52.6174.7-172.2-178.968.2-1691.2111.5V148 K149 F154 N155 E156V148-R152 PolarHBondContact O-N 3.45Å; K149-R152 WeakPolarHBondContact O-CB 3.46Å; K149-R152 PolarHBondContact O-N 3.27Å; R152-F154 VanDerWaalsContact C-N 3.3Å; R152-F154 PolarHBondContact O-N 2.85Å; R152-N155 PolarHBondContact O-N 2.89Å; R152-N155 VanDerWaalsContact O-N 3.15Å; R152-E156 WeakPolarHBondContact CD-OE1 3.4Å; R152-E156 HydrophobicContact CG-CG 4.17Å; R152-E156 WeakPolarHBondContact CG-OE1 3.43Å; R152-E156 WeakPolarHBondContact CG-OE2 3.47Å; R152-E156 WeakPolarHBondContact O-CB 3.4Å; R152-E156 WeakPolarHBondContact O-CG 3.39Å; R152-E156 PolarHBondContact O-N 2.99Å
153T92.2Very high93.3Very high14 Ų1452.2 Ų52.29%0.08625%0.253CS..Hα-helixtrans-55.7-42.9175.3-62.50000112.3L67 K149 F151 L157 T158L67-T153 HydrophobicContact CD1-CG2 4.23Å; L67-T153 HydrophobicContact CD2-CG2 3.79Å; L67-T153 HydrophobicContact CG-CG2 4.04Å; K149-T153 PolarHBondContact O-N 3.06Å; K149-T153 PolarHBondContact O-OG1 3.36Å; K149-T153 VanDerWaalsContact O-OG1 3.14Å; F151-T153 PolarHBondContact O-N 2.93Å; T153-L157 HydrophobicContact CG2-CD1 4.32Å; T153-L157 WeakPolarHBondContact O-CA 3.28Å; T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 PolarHBondContact O-N 3.45Å; T153-T158 PolarHBondContact O-N 2.86Å
154F93.8Very high94Very high18 Ų1851.5 Ų51.58%0.07925%0.247CC..Iπ-helixtrans-62.6-47.4177.5172.9-107.4000111.6G17 R150 F151 R152 T158 K159 I162G17-F154 VanDerWaalsContact N-CZ 3.29Å; R150-F154 WeakPolarHBondContact O-CB 3.42Å; R150-F154 PolarHBondContact O-N 3.2Å; F151-F154 PolarHBondContact O-N 2.79Å; F151-F154 VanDerWaalsContact O-N 3.16Å; R152-F154 VanDerWaalsContact C-N 3.3Å; R152-F154 PolarHBondContact O-N 2.85Å; F154-T158 HydrophobicContact CD2-CG2 3.74Å; F154-T158 HydrophobicContact CE2-CG2 3.9Å; F154-T158 WeakPolarHBondContact O-CB 3.3Å; F154-T158 PolarHBondContact O-N 2.8Å; F154-K159 HydrophobicContact CE1-CG 4.27Å; F154-K159 HydrophobicContact CZ-CG 4.28Å; F154-K159 PolarHBondContact O-N 3.06Å; F154-I162 HydrophobicContact CE2-CD1 4.23Å; F154-I162 HydrophobicContact CZ-CD1 4.31Å
155N95.4Very high94.5Very high57 Ų5747.7 Ų47.731%0.30523%0.229SC..Iπ-helixtrans-67-41.5-177.9-74.6-36.8000112.6F151 R152 K159F151-N155 WeakPolarHBondContact O-CB 3.29Å; F151-N155 PolarHBondContact O-N 2.99Å; F151-N155 PolarHBondContact O-ND2 3.12Å; R152-N155 PolarHBondContact O-N 2.89Å; R152-N155 VanDerWaalsContact O-N 3.15Å; N155-K159 WeakPolarHBondContact OD1-CE 3.35Å; N155-K159 PolarHBondContact OD1-NZ 2.81Å
156E96.1Very high94.9Very high115 Ų11546.9 Ų46.954%0.53722%0.224SC..Iπ-helixtrans-86.2-38-174.5-68.5173.9-179.400113.2R152 P160R152-E156 WeakPolarHBondContact CD-OE1 3.4Å; R152-E156 HydrophobicContact CG-CG 4.17Å; R152-E156 WeakPolarHBondContact CG-OE1 3.43Å; R152-E156 WeakPolarHBondContact CG-OE2 3.47Å; R152-E156 WeakPolarHBondContact O-CB 3.4Å; R152-E156 WeakPolarHBondContact O-CG 3.39Å; R152-E156 PolarHBondContact O-N 2.99Å; E156-P160 WeakPolarHBondContact O-CD 3.37Å; E156-P160 VanDerWaalsContact O-CG 3.28Å; E156-P160 WeakPolarHBondContact O-CG 3.49Å
157L95.4Very high95.2Very high65 Ų6554.1 Ų54.134%0.3426%0.257SS..Iπ-helixtrans-113.8-36.7-169.6-56.7-179.1000113.3L67 R98 E99 T153 V161L67-L157 HydrophobicContact CD1-CD1 3.54Å; R98-L157 CarbonylContact O-C 3.48Å; R98-L157 VanDerWaalsContact O-C 3.31Å; E99-L157 WeakPolarHBondContact CA-O 3.35Å; E99-L157 HydrophobicContact CB-CB 4.11Å; T153-L157 HydrophobicContact CG2-CD1 4.32Å; T153-L157 WeakPolarHBondContact O-CA 3.28Å; T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 PolarHBondContact O-N 3.45Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å
158T94.8Very high95.5Very high10 Ų1057.5 Ų57.56%0.06127%0.273CS..Iπ-helixtrans-83.5-37.4-177.8-50.40000112.9R98 T153 F154 V161 I162R98-T158 WeakPolarHBondContact O-CA 3.42Å; R98-T158 PolarHBondContact O-N 3.18Å; R98-T158 PolarHBondContact O-OG1 3.04Å; T153-T158 PolarHBondContact O-N 2.86Å; F154-T158 HydrophobicContact CD2-CG2 3.74Å; F154-T158 HydrophobicContact CE2-CG2 3.9Å; F154-T158 WeakPolarHBondContact O-CB 3.3Å; F154-T158 PolarHBondContact O-N 2.8Å; T158-V161 VanDerWaalsContact O-CB 3.27Å; T158-V161 WeakPolarHBondContact O-CB 3.45Å; T158-V161 WeakPolarHBondContact O-CG2 3.15Å; T158-V161 PolarHBondContact O-N 2.78Å; T158-I162 PolarHBondContact O-N 3.1Å
159K95.6Very high95.7Very high96 Ų9660.8 Ų60.842%0.41729%0.288SS..Hα-helixtrans-57.4-42.8175.5-78.3-175.7174.5167.10113.5F154 N155 V161 I162 E163F154-K159 HydrophobicContact CE1-CG 4.27Å; F154-K159 HydrophobicContact CZ-CG 4.28Å; F154-K159 PolarHBondContact O-N 3.06Å; N155-K159 WeakPolarHBondContact OD1-CE 3.35Å; N155-K159 PolarHBondContact OD1-NZ 2.81Å; K159-V161 PolarHBondContact O-N 3.16Å; K159-I162 WeakPolarHBondContact O-CB 3.21Å; K159-I162 PolarHBondContact O-N 3.17Å; K159-E163 PolarHBondContact O-N 3.1Å
160P97.5Very high95.9Very high55 Ų5560.1 Ų60.136%0.35729%0.285SS..Hα-helixtrans-55-31.5171.9-29.635.8000114.4E156 E163 H164E156-P160 WeakPolarHBondContact O-CD 3.37Å; E156-P160 VanDerWaalsContact O-CG 3.28Å; E156-P160 WeakPolarHBondContact O-CG 3.49Å; P160-E163 PolarHBondContact O-N 2.98Å; P160-H164 WeakPolarHBondContact O-CB 3.44Å; P160-H164 PolarHBondContact O-N 2.81Å
161V97.5Very high96.2Very high0 Ų060.9 Ų60.90%029%0.291CS..Hα-helixtrans-66.4-43.5174.6-164.40000111.3L15 P97 E99 L157 T158 K159 E163 H164 Y165L15-V161 HydrophobicContact CD1-CB 4.27Å; L15-V161 HydrophobicContact CD1-CG1 4.18Å; P97-V161 HydrophobicContact CB-CG1 4.2Å; P97-V161 HydrophobicContact CG-CB 4.32Å; P97-V161 HydrophobicContact CG-CG1 3.28Å; P97-V161 HydrophobicContact CG-CG2 4.36Å; E99-V161 VanDerWaalsContact C-CG2 3.43Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; T158-V161 VanDerWaalsContact O-CB 3.27Å; T158-V161 WeakPolarHBondContact O-CB 3.45Å; T158-V161 WeakPolarHBondContact O-CG2 3.15Å; T158-V161 PolarHBondContact O-N 2.78Å; K159-V161 PolarHBondContact O-N 3.16Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.44Å; V161-H164 PolarHBondContact O-N 3.24Å; V161-Y165 HydrophobicContact CG1-CD2 3.71Å; V161-Y165 HydrophobicContact CG1-CE2 3.63Å; V161-Y165 VanDerWaalsContact O-CD2 3.29Å; V161-Y165 WeakPolarHBondContact O-CD2 3.21Å; V161-Y165 PolarHBondContact O-N 2.76Å; V161-Y165 VanDerWaalsContact O-N 3.11Å
162I96.8Very high96.3Very high8 Ų861 Ų614%0.04129%0.292CS..Hα-helixtrans-59.9-47.5177.5-62.1164000109.1L15 N118 F154 T158 K159 H164 Y165 K166 V171L15-I162 HydrophobicContact CB-CG1 4.3Å; L15-I162 HydrophobicContact CD1-CG1 3.86Å; N118-I162 HydrophobicContact CB-CG2 4.33Å; N118-I162 VanDerWaalsContact OD1-CD1 3.27Å; N118-I162 WeakPolarHBondContact OD1-CD1 3.26Å; F154-I162 HydrophobicContact CE2-CD1 4.23Å; F154-I162 HydrophobicContact CZ-CD1 4.31Å; T158-I162 PolarHBondContact O-N 3.1Å; K159-I162 WeakPolarHBondContact O-CB 3.21Å; K159-I162 PolarHBondContact O-N 3.17Å; I162-H164 PolarHBondContact O-N 3.19Å; I162-Y165 PolarHBondContact O-N 3.43Å; I162-K166 WeakPolarHBondContact O-CB 3.38Å; I162-K166 PolarHBondContact O-N 3.14Å; I162-V171 HydrophobicContact CG2-CG1 4.17Å; I162-V171 HydrophobicContact CG2-CG2 4.44Å; I162-V171 WeakPolarHBondContact O-CG2 3.48Å
163E97.6Very high96.4Very high89 Ų8958.1 Ų58.142%0.41629%0.29SS..Hα-helixtrans-63.1-41.1178.7-65.9-53.7129.100112.5K159 P160 V161 Y165 K166 Q167K159-E163 PolarHBondContact O-N 3.1Å; P160-E163 PolarHBondContact O-N 2.98Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.44Å; E163-Y165 PolarHBondContact O-N 2.95Å; E163-K166 WeakPolarHBondContact O-CB 3.21Å; E163-K166 PolarHBondContact O-N 3.05Å; E163-K166 IonicContact OE1-NZ 2.63Å; E163-K166 IonicContact OE2-NZ 2.57Å; E163-Q167 WeakPolarHBondContact O-CG 3.33Å; E163-Q167 PolarHBondContact O-N 3.24Å; E163-Q167 VanDerWaalsContact O-N 3.08Å
164H98.2Very high96.7Very high51 Ų5157.7 Ų57.724%0.23629%0.287CS..Hα-helixtrans-57.4-45175.6175.676.5000112.9L100 P160 V161 I162 Q168L100-H164 HydrophobicContact CD1-CB 3.53Å; L100-H164 VanDerWaalsContact CD1-CG 3.49Å; P160-H164 WeakPolarHBondContact O-CB 3.44Å; P160-H164 PolarHBondContact O-N 2.81Å; V161-H164 PolarHBondContact O-N 3.24Å; I162-H164 PolarHBondContact O-N 3.19Å; H164-Q168 PolarHBondContact CD2-NE2 3.31Å; H164-Q168 VanDerWaalsContact CD2-NE2 3.32Å; H164-Q168 PolarHBondContact CE1-NE2 3.3Å; H164-Q168 PolarHBondContact NE2-NE2 3.31Å; H164-Q168 PolarHBondContact O-NE2 2.88Å
165Y97.6Very high96.9Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-79.1-24.5178-75.3-67.7000113.2F13 E107 C113 V116 V161 I162 E163 Q168 K170 V171F13-Y165 AromaticContact CD2-CE2 3.99Å; F13-Y165 HydrophobicContact CD2-CE2 3.99Å; F13-Y165 HydrophobicContact CE2-CE2 4.02Å; F13-Y165 AromaticContact CE2-CZ 3.86Å; E107-Y165 VanDerWaalsContact CD-OH 3.29Å; E107-Y165 WeakPolarHBondContact OE2-CE1 3.29Å; E107-Y165 PolarHBondContact OE2-OH 2.98Å; C113-Y165 HydrophobicContact CB-CE1 4.01Å; V116-Y165 HydrophobicContact CG2-CD1 4.16Å; V116-Y165 HydrophobicContact CG2-CD2 3.72Å; V116-Y165 HydrophobicContact CG2-CE2 4.49Å; V116-Y165 HydrophobicContact CG2-CG 3.54Å; V161-Y165 HydrophobicContact CG1-CD2 3.71Å; V161-Y165 HydrophobicContact CG1-CE2 3.63Å; V161-Y165 VanDerWaalsContact O-CD2 3.29Å; V161-Y165 WeakPolarHBondContact O-CD2 3.21Å; V161-Y165 PolarHBondContact O-N 2.76Å; V161-Y165 VanDerWaalsContact O-N 3.11Å; I162-Y165 PolarHBondContact O-N 3.43Å; E163-Y165 PolarHBondContact O-N 2.95Å; Y165-Q168 WeakPolarHBondContact O-CB 3.4Å; Y165-Q168 PolarHBondContact O-N 2.84Å; Y165-Q168 VanDerWaalsContact O-N 3.16Å; Y165-K170 HydrophobicContact CD1-CB 4.46Å; Y165-K170 HydrophobicContact CD1-CD 3.93Å; Y165-K170 HydrophobicContact CE1-CD 4.46Å; Y165-K170 PolarHBondContact O-N 3.01Å; Y165-K170 VanDerWaalsContact O-N 3.1Å; Y165-V171 VanDerWaalsContact C-CG2 3.5Å
166K97.3Very high97Very high110 Ų11057.8 Ų57.848%0.47829%0.288SS..Hα-helixtrans-66.4-41175.7-173.5178.4175.8-172.60110.9I162 E163 Q168 N169 V171I162-K166 WeakPolarHBondContact O-CB 3.38Å; I162-K166 PolarHBondContact O-N 3.14Å; E163-K166 WeakPolarHBondContact O-CB 3.21Å; E163-K166 PolarHBondContact O-N 3.05Å; E163-K166 IonicContact OE1-NZ 2.63Å; E163-K166 IonicContact OE2-NZ 2.57Å; K166-Q168 PolarHBondContact O-N 3.33Å; K166-Q168 VanDerWaalsContact O-N 3.12Å; K166-N169 PolarHBondContact O-N 3Å; K166-V171 HydrophobicContact CB-CB 4.23Å; K166-V171 HydrophobicContact CB-CG2 3.92Å; K166-V171 VanDerWaalsContact N-CG2 3.28Å
167Q97.5Very high97Very high157 Ų15755.6 Ų55.673%0.73429%0.286SS*.THydrogen-bonded Turntrans-59.8-20.3172.8-69.2171.52.100113.3E163E163-Q167 WeakPolarHBondContact O-CG 3.33Å; E163-Q167 PolarHBondContact O-N 3.24Å; E163-Q167 VanDerWaalsContact O-N 3.08Å
168Q96.9Very high97Very high71 Ų7154.4 Ų54.433%0.33229%0.289SS..THydrogen-bonded Turntrans-95.97.3177.4-59.7172.943.800113.3H164 Y165 K166 K170H164-Q168 PolarHBondContact CD2-NE2 3.31Å; H164-Q168 VanDerWaalsContact CD2-NE2 3.32Å; H164-Q168 PolarHBondContact CE1-NE2 3.3Å; H164-Q168 PolarHBondContact NE2-NE2 3.31Å; H164-Q168 PolarHBondContact O-NE2 2.88Å; Y165-Q168 WeakPolarHBondContact O-CB 3.4Å; Y165-Q168 PolarHBondContact O-N 2.84Å; Y165-Q168 VanDerWaalsContact O-N 3.16Å; K166-Q168 PolarHBondContact O-N 3.33Å; K166-Q168 VanDerWaalsContact O-N 3.12Å; Q168-K170 HydrophobicContact CB-CD 4.14Å; Q168-K170 HydrophobicContact CB-CG 4.14Å; Q168-K170 PolarHBondContact O-N 3.49Å
169N96.2Very high97.1Very high146 Ų14658.5 Ų58.578%0.78131%0.314SS*.THydrogen-bonded Turntrans56.828.6-173.4-57.4-53.8000113.8K166K166-N169 PolarHBondContact O-N 3Å
170K96.3Very high97.2Very high43 Ų4356.9 Ų56.919%0.18731%0.312CS..  trans-99.4-6.3-178.7-75.5179175.3176.30113.8E107 C113 C115 V116 Y165 Q168E107-K170 IonicContact OE1-NZ 3.16Å; E107-K170 PolarHBondContact OE1-NZ 2.99Å; C113-K170 WeakPolarHBondContact O-CE 3.49Å; C113-K170 PolarHBondContact O-NZ 3.34Å; C115-K170 CarbonylContact C-O 3.31Å; C115-K170 VanDerWaalsContact CA-O 3.29Å; C115-K170 WeakPolarHBondContact CA-O 3.27Å; C115-K170 VanDerWaalsContact CB-O 3.3Å; C115-K170 WeakPolarHBondContact CB-O 3.47Å; V116-K170 PolarHBondContact N-O 3.02Å; Y165-K170 HydrophobicContact CD1-CB 4.46Å; Y165-K170 HydrophobicContact CD1-CD 3.93Å; Y165-K170 HydrophobicContact CE1-CD 4.46Å; Y165-K170 PolarHBondContact O-N 3.01Å; Y165-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 HydrophobicContact CB-CD 4.14Å; Q168-K170 HydrophobicContact CB-CG 4.14Å; Q168-K170 PolarHBondContact O-N 3.49Å
171V97.8Very high97.2Very high28 Ų2858.6 Ų58.617%0.1732%0.319CS..EExtended strand (participates in β ladder)trans-96.8124.9-173176.60000111.9V116 N118 I162 Y165 K166V116-V171 HydrophobicContact CB-CG2 3.97Å; V116-V171 HydrophobicContact CG1-CG2 4.4Å; V116-V171 HydrophobicContact CG2-CG2 4.44Å; V116-V171 CarbonylContact O-C 3.54Å; V116-V171 WeakPolarHBondContact O-CA 3.23Å; N118-V171 HydrophobicContact CB-CG1 4.05Å; I162-V171 HydrophobicContact CG2-CG1 4.17Å; I162-V171 HydrophobicContact CG2-CG2 4.44Å; I162-V171 WeakPolarHBondContact O-CG2 3.48Å; Y165-V171 VanDerWaalsContact C-CG2 3.5Å; K166-V171 HydrophobicContact CB-CB 4.23Å; K166-V171 HydrophobicContact CB-CG2 3.92Å; K166-V171 VanDerWaalsContact N-CG2 3.28Å
172I96.9Very high97.2Very high8 Ų860.7 Ų60.74%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-97.8115163.5-58.6164.9000107.2V116 N118 I174 E190 L191 F194V116-I172 PolarHBondContact O-N 3.34Å; N118-I172 PolarHBondContact N-O 3.26Å; I172-I174 HydrophobicContact CG2-CD1 3.61Å; I172-I174 HydrophobicContact CG2-CG1 3.95Å; I172-E190 HydrophobicContact CB-CB 4.45Å; I172-E190 HydrophobicContact CD1-CB 4Å; I172-E190 HydrophobicContact CG1-CB 4.24Å; I172-E190 HydrophobicContact CG2-CB 3.38Å; I172-E190 HydrophobicContact CG2-CG 3.66Å; I172-L191 HydrophobicContact CD1-CD2 3.94Å; I172-L191 HydrophobicContact CD1-CG 4.45Å; I172-F194 HydrophobicContact CD1-CD2 3.69Å; I172-F194 HydrophobicContact CD1-CE2 3.57Å; I172-F194 HydrophobicContact CG1-CD2 4.17Å; I172-F194 HydrophobicContact CG1-CE2 3.5Å; I172-F194 HydrophobicContact CG1-CZ 4.22Å
173T97.7Very high97.3Very high79 Ų7960.8 Ų60.849%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-98.3124173.9-610000110.2N118 D120N118-T173 WeakPolarHBondContact O-CA 3.13Å; D120-T173 HydrophobicContact CB-CG2 3.85Å
174I98.1Very high97.3Very high5 Ų557.7 Ų57.73%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-116.7121.9-179.3-55-64.6000108.7I117 N118 F119 D120 I172 A176 I183 K186 V187 E190I117-I174 HydrophobicContact CG2-CG1 4.27Å; N118-I174 PolarHBondContact O-N 3Å; F119-I174 HydrophobicContact CD1-CB 4.09Å; F119-I174 HydrophobicContact CD1-CG2 4.25Å; F119-I174 HydrophobicContact CE1-CB 4.21Å; F119-I174 HydrophobicContact CE1-CG2 4.19Å; D120-I174 PolarHBondContact N-O 2.98Å; I172-I174 HydrophobicContact CG2-CD1 3.61Å; I172-I174 HydrophobicContact CG2-CG1 3.95Å; I174-A176 PolarHBondContact O-N 3.15Å; I174-A176 VanDerWaalsContact O-N 3.16Å; I174-I183 HydrophobicContact CG2-CG2 3.88Å; I174-K186 HydrophobicContact CD1-CB 4.06Å; I174-K186 HydrophobicContact CG2-CB 4.28Å; I174-K186 HydrophobicContact CG2-CD 4.49Å; I174-V187 HydrophobicContact CD1-CG2 4.43Å; I174-V187 HydrophobicContact CG1-CG2 3.92Å; I174-V187 HydrophobicContact CG2-CG2 4.26Å; I174-E190 HydrophobicContact CD1-CB 4.48Å; I174-E190 HydrophobicContact CD1-CG 3.93Å
175D97.9Very high97.3Very high78 Ų7860.2 Ų60.242%0.41734%0.336SS..EExtended strand (participates in β ladder)trans-61.9113.8166.3170.316.2000109.7S177D175-S177 VanDerWaalsContact CG-OG 3.26Å; D175-S177 WeakPolarHBondContact OD1-CB 3.18Å; D175-S177 PolarHBondContact OD1-N 2.85Å; D175-S177 PolarHBondContact OD1-OG 2.88Å; D175-S177 PolarHBondContact OD2-OG 3.42Å; D175-S177 VanDerWaalsContact OD2-OG 3.14Å
176A97.8Very high97.3Very high0 Ų065.1 Ų65.10%036%0.358CS..  trans-100.920.4-175.700000113.3S20 F119 D120 V121 R129 I174 I183S20-A176 WeakPolarHBondContact O-CB 3.49Å; F119-A176 HydrophobicContact CB-CB 3.95Å; F119-A176 HydrophobicContact CD1-CB 4Å; F119-A176 HydrophobicContact CG-CB 4.43Å; D120-A176 PolarHBondContact O-N 3.3Å; V121-A176 HydrophobicContact CB-CB 4.05Å; V121-A176 HydrophobicContact CG1-CB 4.13Å; R129-A176 PolarHBondContact NH1-O 3.42Å; R129-A176 PolarHBondContact NH2-O 3.37Å; I174-A176 PolarHBondContact O-N 3.15Å; I174-A176 VanDerWaalsContact O-N 3.16Å; A176-I183 HydrophobicContact CB-CD1 4.28Å
177S95.5Very high97.2Very high69 Ų6959.9 Ų59.948%0.48334%0.335SS..SBendtrans-79.3-24.4174.967.40000113.8D175D175-S177 VanDerWaalsContact CG-OG 3.26Å; D175-S177 WeakPolarHBondContact OD1-CB 3.18Å; D175-S177 PolarHBondContact OD1-N 2.85Å; D175-S177 PolarHBondContact OD1-OG 2.88Å; D175-S177 PolarHBondContact OD2-OG 3.42Å; D175-S177 VanDerWaalsContact OD2-OG 3.14Å
178G95.2Very high97Very high40 Ų4054.1 Ų54.141%0.41231%0.309SS..SBendtrans-76.7-166.8-176.200000116.1I183G178-I183 WeakPolarHBondContact O-CD1 3.22Å
179T96.9Very high97Very high96 Ų9655.9 Ų55.959%0.58932%0.317SS*.  trans-72.3157.2174.865.50000111.3D181 A182 I183T179-D181 VanDerWaalsContact C-N 3.28Å; T179-D181 PolarHBondContact O-N 2.88Å; T179-A182 PolarHBondContact O-N 3.45Å; T179-A182 VanDerWaalsContact OG1-CB 3.29Å; T179-A182 WeakPolarHBondContact OG1-CB 3.46Å; T179-A182 PolarHBondContact OG1-N 3.16Å; T179-I183 WeakPolarHBondContact O-CB 3.45Å; T179-I183 WeakPolarHBondContact O-CD1 3.48Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 2.86Å
180V97.2Very high97Very high62 Ų6251.3 Ų51.338%0.37629%0.291SS..Hα-helixtrans-56.8-43-178.3-1730000111.5T24 Q25 K28 F184T24-V180 HydrophobicContact CG2-CG1 3.49Å; T24-V180 VanDerWaalsContact CG2-CG1 3.49Å; T24-V180 HydrophobicContact CG2-CG2 4.21Å; Q25-V180 PolarHBondContact NE2-O 3.19Å; K28-V180 HydrophobicContact CD-CG1 3.87Å; V180-F184 WeakPolarHBondContact O-CB 3.29Å; V180-F184 PolarHBondContact O-N 3.22Å
181D98.1Very high96.8Very high91 Ų9149.3 Ų49.349%0.48728%0.282SS..Hα-helixtrans-70.6-44-179.6-63.1-38.4000112.2K28 T179 I183 F184 D185K28-D181 WeakPolarHBondContact CE-OD1 3.38Å; K28-D181 IonicContact NZ-OD1 2.68Å; K28-D181 PolarHBondContact NZ-OD1 3.32Å; T179-D181 VanDerWaalsContact C-N 3.28Å; T179-D181 PolarHBondContact O-N 2.88Å; D181-I183 VanDerWaalsContact C-N 3.29Å; D181-I183 PolarHBondContact O-N 3.04Å; D181-F184 WeakPolarHBondContact O-CB 3.46Å; D181-F184 PolarHBondContact O-N 2.76Å; D181-D185 PolarHBondContact O-N 3.46Å
182A98.1Very high96.5Very high43 Ų4352.1 Ų52.136%0.35529%0.294SS..Hα-helixtrans-63.3-35.8177.600000112.5T179 K186T179-A182 PolarHBondContact O-N 3.45Å; T179-A182 VanDerWaalsContact OG1-CB 3.29Å; T179-A182 WeakPolarHBondContact OG1-CB 3.46Å; T179-A182 PolarHBondContact OG1-N 3.16Å; A182-K186 WeakPolarHBondContact O-CG 3.34Å; A182-K186 PolarHBondContact O-N 2.91Å
183I98.2Very high96.3Very high10 Ų1058 Ų585%0.05132%0.319CS..Hα-helixtrans-66.3-44.4172.6-66.1164.9000109.9Q25 F119 I174 A176 G178 T179 D181 D185 K186 V187Q25-I183 VanDerWaalsContact CD-CG2 3.47Å; Q25-I183 HydrophobicContact CG-CG2 3.9Å; F119-I183 HydrophobicContact CD1-CG2 4.03Å; F119-I183 HydrophobicContact CE1-CG2 3.59Å; I174-I183 HydrophobicContact CG2-CG2 3.88Å; A176-I183 HydrophobicContact CB-CD1 4.28Å; G178-I183 WeakPolarHBondContact O-CD1 3.22Å; T179-I183 WeakPolarHBondContact O-CB 3.45Å; T179-I183 WeakPolarHBondContact O-CD1 3.48Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 2.86Å; D181-I183 VanDerWaalsContact C-N 3.29Å; D181-I183 PolarHBondContact O-N 3.04Å; I183-D185 PolarHBondContact O-N 2.63Å; I183-K186 PolarHBondContact O-N 3.39Å; I183-V187 HydrophobicContact CG2-CG2 4.43Å; I183-V187 WeakPolarHBondContact O-CG2 3.44Å; I183-V187 PolarHBondContact O-N 3.43Å
184F97.5Very high95.9Very high25 Ų2556.9 Ų56.911%0.1131%0.308CS..Hα-helixtrans-63.9-40.8-178.9-178.3-107.4000112.5Q25 K28 L29 K32 V180 D181 K186 V187 N188Q25-F184 VanDerWaalsContact OE1-CA 3.24Å; K28-F184 HydrophobicContact CB-CD2 3.36Å; K28-F184 HydrophobicContact CB-CE2 3.4Å; K28-F184 VanDerWaalsContact CB-CE2 3.4Å; K28-F184 HydrophobicContact CB-CG 3.95Å; K28-F184 HydrophobicContact CB-CZ 4.02Å; K28-F184 HydrophobicContact CD-CB 3.71Å; K28-F184 HydrophobicContact CD-CD1 4.25Å; K28-F184 HydrophobicContact CD-CD2 3.93Å; K28-F184 HydrophobicContact CD-CG 3.68Å; K28-F184 HydrophobicContact CG-CD2 4.29Å; K28-F184 HydrophobicContact CG-CG 4.46Å; L29-F184 HydrophobicContact CD2-CE2 3.86Å; L29-F184 HydrophobicContact CG-CE2 4.05Å; K32-F184 HydrophobicContact CB-CE1 4.48Å; K32-F184 HydrophobicContact CB-CZ 3.74Å; K32-F184 HydrophobicContact CG-CZ 4.03Å; V180-F184 WeakPolarHBondContact O-CB 3.29Å; V180-F184 PolarHBondContact O-N 3.22Å; D181-F184 WeakPolarHBondContact O-CB 3.46Å; D181-F184 PolarHBondContact O-N 2.76Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.5Å; F184-V187 WeakPolarHBondContact O-CB 3.33Å; F184-V187 PolarHBondContact O-N 2.92Å; F184-V187 VanDerWaalsContact O-N 3.16Å; F184-N188 WeakPolarHBondContact O-CB 3.34Å; F184-N188 PolarHBondContact O-N 3.46Å
185D97.6Very high95.4Very high103 Ų10359.2 Ų59.255%0.55133%0.333SS*.Hα-helixtrans-59.6-42.2177.1-70.7-22.8000111.4D181 I183 N188 H189D181-D185 PolarHBondContact O-N 3.46Å; I183-D185 PolarHBondContact O-N 2.63Å; D185-N188 PolarHBondContact O-N 2.81Å; D185-H189 WeakPolarHBondContact O-CB 3.33Å; D185-H189 PolarHBondContact O-N 3.16Å
186K97.6Very high94.8Very high103 Ų10355.7 Ų55.745%0.44831%0.314SS..Hα-helixtrans-63.1-46.8173.7-66.6176.8-177.21800111.5I174 A182 I183 F184 N188 H189 E190I174-K186 HydrophobicContact CD1-CB 4.06Å; I174-K186 HydrophobicContact CG2-CB 4.28Å; I174-K186 HydrophobicContact CG2-CD 4.49Å; A182-K186 WeakPolarHBondContact O-CG 3.34Å; A182-K186 PolarHBondContact O-N 2.91Å; I183-K186 PolarHBondContact O-N 3.39Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.5Å; K186-N188 VanDerWaalsContact C-N 3.35Å; K186-N188 PolarHBondContact O-N 3.34Å; K186-H189 PolarHBondContact O-N 3.45Å; K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 WeakPolarHBondContact O-CG 3.41Å; K186-E190 PolarHBondContact O-N 3.38Å
187V95.7Very high93.7Very high1 Ų165.4 Ų65.41%0.00636%0.356CS..Hα-helixtrans-57.5-49.2177.1174.20000110.7L29 I117 F119 I174 I183 F184 H189 E190 L191L29-V187 HydrophobicContact CD1-CG1 4.19Å; L29-V187 HydrophobicContact CD2-CG1 3.94Å; L29-V187 HydrophobicContact CG-CG1 4.41Å; I117-V187 HydrophobicContact CD1-CG1 3.98Å; F119-V187 HydrophobicContact CE1-CG2 3.55Å; F119-V187 HydrophobicContact CZ-CG2 3.65Å; I174-V187 HydrophobicContact CD1-CG2 4.43Å; I174-V187 HydrophobicContact CG1-CG2 3.92Å; I174-V187 HydrophobicContact CG2-CG2 4.26Å; I183-V187 HydrophobicContact CG2-CG2 4.43Å; I183-V187 WeakPolarHBondContact O-CG2 3.44Å; I183-V187 PolarHBondContact O-N 3.43Å; F184-V187 WeakPolarHBondContact O-CB 3.33Å; F184-V187 PolarHBondContact O-N 2.92Å; F184-V187 VanDerWaalsContact O-N 3.16Å; V187-H189 VanDerWaalsContact C-N 3.34Å; V187-H189 PolarHBondContact O-N 3.31Å; V187-E190 PolarHBondContact O-N 3.45Å; V187-L191 HydrophobicContact CG1-CD1 3.85Å; V187-L191 HydrophobicContact CG1-CG 4.28Å; V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 2.68Å
188N94.3Very high93.7Very high36 Ų3665.3 Ų65.319%0.19335%0.35CS..Hα-helixtrans-61.5-41.3-179.8177.870.8000111.7F33 F184 D185 K186 Q192F33-N188 WeakPolarHBondContact CZ-OD1 3.45Å; F184-N188 WeakPolarHBondContact O-CB 3.34Å; F184-N188 PolarHBondContact O-N 3.46Å; D185-N188 PolarHBondContact O-N 2.81Å; K186-N188 VanDerWaalsContact C-N 3.35Å; K186-N188 PolarHBondContact O-N 3.34Å; N188-Q192 WeakPolarHBondContact O-CG 3.07Å; N188-Q192 PolarHBondContact O-NE2 2.95Å
189H96.3Very high93.6Very high107 Ų10766.6 Ų66.650%0.49535%0.347SS..Hα-helixtrans-63.9-48.2175.6-179.872.1000112.2D185 K186 V187 L191 Q192D185-H189 WeakPolarHBondContact O-CB 3.33Å; D185-H189 PolarHBondContact O-N 3.16Å; K186-H189 PolarHBondContact O-N 3.45Å; V187-H189 VanDerWaalsContact C-N 3.34Å; V187-H189 PolarHBondContact O-N 3.31Å; H189-L191 PolarHBondContact O-N 2.69Å; H189-Q192 WeakPolarHBondContact O-CB 3.45Å; H189-Q192 PolarHBondContact O-N 3.28Å
190E95.7Very high93.4Very high51 Ų5164.9 Ų64.924%0.23833%0.333CS..Hα-helixtrans-67.7-36.1-177.6-69.3-61.8130.800112.8I172 I174 K186 V187 Q192 K193I172-E190 HydrophobicContact CB-CB 4.45Å; I172-E190 HydrophobicContact CD1-CB 4Å; I172-E190 HydrophobicContact CG1-CB 4.24Å; I172-E190 HydrophobicContact CG2-CB 3.38Å; I172-E190 HydrophobicContact CG2-CG 3.66Å; I174-E190 HydrophobicContact CD1-CB 4.48Å; I174-E190 HydrophobicContact CD1-CG 3.93Å; K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 WeakPolarHBondContact O-CG 3.41Å; K186-E190 PolarHBondContact O-N 3.38Å; V187-E190 PolarHBondContact O-N 3.45Å; E190-Q192 PolarHBondContact O-N 3.34Å; E190-K193 VanDerWaalsContact O-CB 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.4Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-K193 VanDerWaalsContact O-N 3.12Å; E190-K193 IonicContact OE1-NZ 2.69Å; E190-K193 PolarHBondContact OE1-NZ 2.95Å; E190-K193 WeakPolarHBondContact OE2-CE 3.39Å; E190-K193 IonicContact OE2-NZ 2.62Å; E190-K193 PolarHBondContact OE2-NZ 3.48Å
191L92.5Very high93.2Very high0 Ų065.1 Ų65.10%033%0.331CS..Hα-helixtrans-63-27.6177.9-81.2-179.9000113.4I12 L29 F33 I117 I172 V187 H189 K193 F194 V196I12-L191 HydrophobicContact CD1-CD2 3.91Å; L29-L191 HydrophobicContact CD1-CD1 4.46Å; L29-L191 HydrophobicContact CD2-CD1 3.56Å; F33-L191 HydrophobicContact CE2-CD1 4.43Å; I117-L191 HydrophobicContact CD1-CD1 4.09Å; I117-L191 HydrophobicContact CD1-CD2 4.04Å; I117-L191 HydrophobicContact CD1-CG 4.28Å; I117-L191 HydrophobicContact CG1-CD2 4.29Å; I172-L191 HydrophobicContact CD1-CD2 3.94Å; I172-L191 HydrophobicContact CD1-CG 4.45Å; V187-L191 HydrophobicContact CG1-CD1 3.85Å; V187-L191 HydrophobicContact CG1-CG 4.28Å; V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 2.68Å; H189-L191 PolarHBondContact O-N 2.69Å; L191-K193 PolarHBondContact O-N 3.32Å; L191-F194 PolarHBondContact O-N 3.21Å; L191-V196 HydrophobicContact CB-CB 4.06Å; L191-V196 HydrophobicContact CB-CG1 4.28Å; L191-V196 HydrophobicContact CD1-CG1 4.5Å; L191-V196 HydrophobicContact CD2-CG2 4.48Å; L191-V196 WeakPolarHBondContact O-CB 3.31Å; L191-V196 PolarHBondContact O-N 3.12Å
192Q92.4Very high92.9Very high87 Ų8763.5 Ų63.541%0.40732%0.321SS..Hα-helixtrans-60.5-29.6175.6-68.2171.440.200112.5N188 H189 E190 F194 G195 V196N188-Q192 WeakPolarHBondContact O-CG 3.07Å; N188-Q192 PolarHBondContact O-NE2 2.95Å; H189-Q192 WeakPolarHBondContact O-CB 3.45Å; H189-Q192 PolarHBondContact O-N 3.28Å; E190-Q192 PolarHBondContact O-N 3.34Å; Q192-F194 PolarHBondContact O-N 3.08Å; Q192-G195 PolarHBondContact O-N 3.25Å; Q192-G195 VanDerWaalsContact O-N 3.08Å; Q192-V196 WeakPolarHBondContact CA-O 3.39Å
193K92.3Very high92.5Very high132 Ų13264.9 Ų64.957%0.57432%0.319SS*.THydrogen-bonded Turntrans-64.9-21.7176-56.3176.4-173.3171.10112.4E190 L191E190-K193 VanDerWaalsContact O-CB 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.4Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-K193 VanDerWaalsContact O-N 3.12Å; E190-K193 IonicContact OE1-NZ 2.69Å; E190-K193 PolarHBondContact OE1-NZ 2.95Å; E190-K193 WeakPolarHBondContact OE2-CE 3.39Å; E190-K193 IonicContact OE2-NZ 2.62Å; E190-K193 PolarHBondContact OE2-NZ 3.48Å; L191-K193 PolarHBondContact O-N 3.32Å
194F89.7Confident92.1Very high56 Ų5668.8 Ų68.825%0.24634%0.338CS..THydrogen-bonded Turntrans-99.915177.1-67.6-92.9000112.9C115 I172 L191 Q192 V196C115-F194 HydrophobicContact CB-CD1 3.5Å; C115-F194 VanDerWaalsContact CB-CD1 3.5Å; C115-F194 HydrophobicContact CB-CD2 4.27Å; C115-F194 HydrophobicContact CB-CE1 3.49Å; C115-F194 VanDerWaalsContact CB-CE1 3.49Å; C115-F194 HydrophobicContact CB-CE2 4.27Å; C115-F194 HydrophobicContact CB-CG 3.89Å; C115-F194 HydrophobicContact CB-CZ 3.89Å; I172-F194 HydrophobicContact CD1-CD2 3.69Å; I172-F194 HydrophobicContact CD1-CE2 3.57Å; I172-F194 HydrophobicContact CG1-CD2 4.17Å; I172-F194 HydrophobicContact CG1-CE2 3.5Å; I172-F194 HydrophobicContact CG1-CZ 4.22Å; L191-F194 PolarHBondContact O-N 3.21Å; Q192-F194 PolarHBondContact O-N 3.08Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 HydrophobicContact CB-CG2 4.49Å; F194-V196 PolarHBondContact O-N 3.42Å
195G86.9Confident91.7Very high54 Ų5472.2 Ų72.256%0.55736%0.356SS*.THydrogen-bonded Turntrans72.720.1178.300000113.9Q192Q192-G195 PolarHBondContact O-N 3.25Å; Q192-G195 VanDerWaalsContact O-N 3.08Å
196V85.4Confident91.2Very high3 Ų369.6 Ų69.62%0.01834%0.339CS..  trans-93115.5175.3-179.70000108.5I12 F33 F35 I90 L114 L191 Q192 F194I12-V196 HydrophobicContact CD1-CG2 4.26Å; F33-V196 HydrophobicContact CD1-CG1 4.45Å; F33-V196 HydrophobicContact CE1-CG1 4.28Å; F33-V196 HydrophobicContact CZ-CG1 4.32Å; F35-V196 HydrophobicContact CE1-CG1 4.29Å; F35-V196 HydrophobicContact CE2-CG1 4.14Å; F35-V196 HydrophobicContact CZ-CG1 3.37Å; I90-V196 HydrophobicContact CD1-CG1 4.34Å; I90-V196 HydrophobicContact CD1-CG2 4.16Å; L114-V196 HydrophobicContact CD2-CG2 4.03Å; L191-V196 HydrophobicContact CB-CB 4.06Å; L191-V196 HydrophobicContact CB-CG1 4.28Å; L191-V196 HydrophobicContact CD1-CG1 4.5Å; L191-V196 HydrophobicContact CD2-CG2 4.48Å; L191-V196 WeakPolarHBondContact O-CB 3.31Å; L191-V196 PolarHBondContact O-N 3.12Å; Q192-V196 WeakPolarHBondContact CA-O 3.39Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 HydrophobicContact CB-CG2 4.49Å; F194-V196 PolarHBondContact O-N 3.42Å
197K75.5Confident90.6Very high205 Ų20566.5 Ų66.589%0.89133%0.33SS*.  trans-139.80-174.7-64.1-174.7-179.3-1780111F33F33-K197 WeakPolarHBondContact CE1-OXT 3.11Å

Retrieved 197 of 197 residues in 129.9 ms (Link to these results)

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