A0A077ZNG3_TRITR Loading...

Rve and HTH 21 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M42.3Very low77.5Confident209 Ų20982.5 Ų82.5100%1.0342%0.421SS*.  0-46.50-87.1-162.6-75.900112D3 S4 S5M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-N 3.39Å; M1-S5 PolarHBondContact O-N 2.82Å
2E52.9Low78.6Confident180 Ų18081 Ų8184%0.84141%0.406SS*.Hα-helixtrans-54.6-45.3176.5-93.5166.617400112.7S4 S5 F6E2-S4 PolarHBondContact O-N 3.23Å; E2-S5 PolarHBondContact O-N 2.72Å; E2-F6 PolarHBondContact O-N 3.1Å
3D66.4Low79.5Confident101 Ų10181.1 Ų81.154%0.5441%0.408SS..Hα-helixtrans-57.7-43.7179.2-175.637.8000113.3M1 S5 F6 K7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.42Å; D3-S5 PolarHBondContact O-N 3.37Å; D3-F6 PolarHBondContact O-N 3.37Å; D3-K7 WeakPolarHBondContact O-CG 3.36Å; D3-K7 PolarHBondContact O-N 3.15Å; D3-K7 IonicContact OD2-NZ 3.82Å
4S78.7Confident80.4Confident48 Ų4877.8 Ų77.834%0.33640%0.395SS..Hα-helixtrans-69.6-35.8179.1-44.60000112.7M1 E2 F6 K7 F8M1-S4 PolarHBondContact O-N 3.39Å; E2-S4 PolarHBondContact O-N 3.23Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 2.96Å; S4-K7 PolarHBondContact O-N 3.2Å; S4-F8 WeakPolarHBondContact O-CD2 3.48Å; S4-F8 VanDerWaalsContact O-CG 3.25Å; S4-F8 WeakPolarHBondContact O-CG 3.25Å; S4-F8 PolarHBondContact O-N 2.66Å
5S79.2Confident81Confident47 Ų4775.7 Ų75.733%0.32939%0.39SS..Hα-helixtrans-65.5-35.4179.3-172.90000112.2M1 E2 D3 G9 W41M1-S5 PolarHBondContact O-N 2.82Å; E2-S5 PolarHBondContact O-N 2.72Å; D3-S5 PolarHBondContact O-N 3.37Å; S5-G9 PolarHBondContact O-N 3.26Å; S5-W41 PolarHBondContact OG-NE1 3.38Å
6F83Confident81.5Confident141 Ų14180.1 Ų80.162%0.61841%0.41SS*.Hα-helixtrans-63.5-47.7174.5177.2-105.1000111E2 D3 S4 F8 G9 I10E2-F6 PolarHBondContact O-N 3.1Å; D3-F6 PolarHBondContact O-N 3.37Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 2.96Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 3.14Å; F6-G9 PolarHBondContact O-N 3.05Å; F6-G9 VanDerWaalsContact O-N 3.1Å; F6-I10 HydrophobicContact CD1-CD1 3.98Å; F6-I10 HydrophobicContact CE1-CD1 3.42Å; F6-I10 VanDerWaalsContact CE1-CD1 3.42Å; F6-I10 HydrophobicContact CE1-CG1 4.43Å; F6-I10 HydrophobicContact CE2-CD1 4.45Å; F6-I10 HydrophobicContact CZ-CD1 3.7Å; F6-I10 HydrophobicContact CZ-CG1 4.41Å; F6-I10 PolarHBondContact O-N 3.36Å; F6-I10 VanDerWaalsContact O-N 3.1Å
7K90.1Very high82.1Confident63 Ų6381.6 Ų81.627%0.27442%0.415SS..Hα-helixtrans-58.7-42.8175.9-66.3175.3177.2-169.70112.6D3 S4 G9 I10 I11 A31 V33D3-K7 WeakPolarHBondContact O-CG 3.36Å; D3-K7 PolarHBondContact O-N 3.15Å; D3-K7 IonicContact OD2-NZ 3.82Å; S4-K7 PolarHBondContact O-N 3.2Å; K7-G9 VanDerWaalsContact C-N 3.32Å; K7-G9 PolarHBondContact O-N 3.16Å; K7-I10 PolarHBondContact O-N 2.94Å; K7-I11 WeakPolarHBondContact O-CG1 3.4Å; K7-I11 PolarHBondContact O-N 3.2Å; K7-A31 HydrophobicContact CB-CB 4.48Å; K7-A31 WeakPolarHBondContact CD-O 3.1Å; K7-V33 HydrophobicContact CB-CG1 4.08Å; K7-V33 HydrophobicContact CD-CG1 3.8Å
8F91.7Very high82.1Confident20 Ų2089.3 Ų89.39%0.08845%0.446CS..Hα-helixtrans-65.3-34.1175.9-62.5-43.4000113.2S4 F6 I11 R12 V33 G37 Y38 W41S4-F8 WeakPolarHBondContact O-CD2 3.48Å; S4-F8 VanDerWaalsContact O-CG 3.25Å; S4-F8 WeakPolarHBondContact O-CG 3.25Å; S4-F8 PolarHBondContact O-N 2.66Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 3.14Å; F8-I11 HydrophobicContact CD1-CD1 4.28Å; F8-I11 PolarHBondContact O-N 2.82Å; F8-R12 PolarHBondContact O-N 2.84Å; F8-R12 VanDerWaalsContact O-N 3.08Å; F8-V33 HydrophobicContact CD1-CB 4.36Å; F8-V33 HydrophobicContact CD1-CG2 3.9Å; F8-V33 HydrophobicContact CE1-CB 3.57Å; F8-V33 HydrophobicContact CE1-CG1 4.1Å; F8-V33 HydrophobicContact CE1-CG2 3.49Å; F8-V33 VanDerWaalsContact CE1-CG2 3.49Å; F8-V33 HydrophobicContact CZ-CB 4.13Å; F8-V33 HydrophobicContact CZ-CG1 4.43Å; F8-G37 VanDerWaalsContact CZ-C 3.47Å; F8-Y38 HydrophobicContact CB-CD2 4.12Å; F8-Y38 AromaticContact CD1-CD2 3.89Å; F8-Y38 HydrophobicContact CD1-CD2 3.89Å; F8-Y38 HydrophobicContact CD1-CG 4.34Å; F8-Y38 HydrophobicContact CG-CD2 4.33Å; F8-W41 HydrophobicContact CB-CB 4.32Å; F8-W41 HydrophobicContact CB-CD2 3.46Å; F8-W41 VanDerWaalsContact CB-CD2 3.46Å; F8-W41 HydrophobicContact CB-CE3 3.69Å; F8-W41 HydrophobicContact CB-CG 3.75Å; F8-W41 HydrophobicContact CB-CH2 4.47Å; F8-W41 HydrophobicContact CB-CZ2 4.28Å; F8-W41 HydrophobicContact CB-CZ3 4.18Å; F8-W41 HydrophobicContact CD2-CB 3.58Å; F8-W41 AromaticContact CD2-CD1 3.53Å; F8-W41 HydrophobicContact CD2-CD2 4.17Å; F8-W41 AromaticContact CD2-CG 3.49Å; F8-W41 HydrophobicContact CD2-CG 3.49Å; F8-W41 VanDerWaalsContact CD2-CG 3.49Å; F8-W41 HydrophobicContact CE2-CB 4.06Å; F8-W41 HydrophobicContact CE2-CG 4.37Å; F8-W41 HydrophobicContact CG-CB 4.04Å; F8-W41 HydrophobicContact CG-CD2 4.15Å; F8-W41 AromaticContact CG-CG 3.9Å; F8-W41 HydrophobicContact CG-CG 3.9Å
9G87.7Confident82.4Confident13 Ų1389.6 Ų89.613%0.13446%0.457CS..Hα-helixtrans-59.7-50.1172.100000111.8S5 F6 K7 I11 R12 D13S5-G9 PolarHBondContact O-N 3.26Å; F6-G9 PolarHBondContact O-N 3.05Å; F6-G9 VanDerWaalsContact O-N 3.1Å; K7-G9 VanDerWaalsContact C-N 3.32Å; K7-G9 PolarHBondContact O-N 3.16Å; G9-I11 PolarHBondContact O-N 3.01Å; G9-R12 WeakPolarHBondContact O-CB 3.2Å; G9-R12 PolarHBondContact O-N 2.81Å; G9-D13 PolarHBondContact O-N 3.26Å
10I89.6Confident82.6Confident82 Ų8287.2 Ų87.242%0.42145%0.445SS..Hα-helixtrans-57.8-47.5176.8-64.2172.5000110.9F6 K7 R12 D13 T14F6-I10 HydrophobicContact CD1-CD1 3.98Å; F6-I10 HydrophobicContact CE1-CD1 3.42Å; F6-I10 VanDerWaalsContact CE1-CD1 3.42Å; F6-I10 HydrophobicContact CE1-CG1 4.43Å; F6-I10 HydrophobicContact CE2-CD1 4.45Å; F6-I10 HydrophobicContact CZ-CD1 3.7Å; F6-I10 HydrophobicContact CZ-CG1 4.41Å; F6-I10 PolarHBondContact O-N 3.36Å; F6-I10 VanDerWaalsContact O-N 3.1Å; K7-I10 PolarHBondContact O-N 2.94Å; I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.43Å; I10-D13 PolarHBondContact O-N 3.17Å; I10-T14 WeakPolarHBondContact O-CB 3.22Å; I10-T14 PolarHBondContact O-N 2.85Å; I10-T14 PolarHBondContact O-OG1 3.12Å
11I91.2Very high83Confident4 Ų490.6 Ų90.62%0.02146%0.463CS..Hα-helixtrans-57.2-43179.1-67.4166000111.4K7 F8 G9 S15 I24 L27 A31 V33 Y38K7-I11 WeakPolarHBondContact O-CG1 3.4Å; K7-I11 PolarHBondContact O-N 3.2Å; F8-I11 HydrophobicContact CD1-CD1 4.28Å; F8-I11 PolarHBondContact O-N 2.82Å; G9-I11 PolarHBondContact O-N 3.01Å; I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 3.03Å; I11-I24 HydrophobicContact CG2-CD1 4.24Å; I11-L27 HydrophobicContact CG1-CB 4.27Å; I11-L27 HydrophobicContact CG2-CB 3.98Å; I11-L27 HydrophobicContact CG2-CD1 4.26Å; I11-A31 HydrophobicContact CD1-CB 3.87Å; I11-A31 HydrophobicContact CG1-CB 4.19Å; I11-V33 HydrophobicContact CD1-CG2 3.48Å; I11-V33 VanDerWaalsContact CD1-CG2 3.48Å; I11-Y38 HydrophobicContact CB-CD2 4.26Å; I11-Y38 HydrophobicContact CB-CE2 4Å; I11-Y38 HydrophobicContact CG2-CD2 3.95Å; I11-Y38 HydrophobicContact CG2-CE1 4.29Å; I11-Y38 HydrophobicContact CG2-CE2 3.63Å; I11-Y38 HydrophobicContact CG2-CG 4.41Å
12R90.2Very high85.3Confident64 Ų6483.5 Ų83.524%0.24243%0.429CS..Hα-helixtrans-63.3-49178-176.4-170.967.3176.31.3110.9F8 G9 I10 S15 M16 Y38 W41 E45F8-R12 PolarHBondContact O-N 2.84Å; F8-R12 VanDerWaalsContact O-N 3.08Å; G9-R12 WeakPolarHBondContact O-CB 3.2Å; G9-R12 PolarHBondContact O-N 2.81Å; I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.43Å; R12-S15 PolarHBondContact O-N 2.98Å; R12-M16 HydrophobicContact CG-CE 3.91Å; R12-M16 HydrophobicContact CG-SD 4.48Å; R12-M16 WeakPolarHBondContact O-CG 3.3Å; R12-M16 PolarHBondContact O-N 3.38Å; R12-Y38 WeakPolarHBondContact CA-OH 3.35Å; R12-Y38 HydrophobicContact CB-CE2 4.29Å; R12-W41 HydrophobicContact CB-CZ3 4.27Å; R12-E45 IonicContact NH1-OE1 2.96Å; R12-E45 PolarHBondContact NH1-OE1 3.28Å
13D90.7Very high87.2Confident82 Ų8278.6 Ų78.644%0.43941%0.411SS..Hα-helixtrans-65.7-46.3-175.3-61.4-11.8000110.1G9 I10 S15 M16 E17G9-D13 PolarHBondContact O-N 3.26Å; I10-D13 PolarHBondContact O-N 3.17Å; D13-S15 VanDerWaalsContact C-N 3.34Å; D13-S15 PolarHBondContact O-N 3.35Å; D13-M16 PolarHBondContact O-N 3.47Å; D13-M16 VanDerWaalsContact O-N 3.1Å; D13-E17 PolarHBondContact O-N 2.94Å
14T91.2Very high88.3Confident35 Ų3575 Ų7522%0.21539%0.392CS..Hα-helixtrans-61.1-39.4173.2-55.50000112.1I10 M16 E17 N20 L27I10-T14 WeakPolarHBondContact O-CB 3.22Å; I10-T14 PolarHBondContact O-N 2.85Å; I10-T14 PolarHBondContact O-OG1 3.12Å; T14-M16 PolarHBondContact O-N 3.38Å; T14-E17 WeakPolarHBondContact O-CB 3.4Å; T14-E17 PolarHBondContact O-N 3.48Å; T14-E17 VanDerWaalsContact O-N 3.16Å; T14-N20 VanDerWaalsContact O-CB 3.22Å; T14-N20 WeakPolarHBondContact O-CB 3.27Å; T14-L27 HydrophobicContact CG2-CD1 4.39Å; T14-L27 HydrophobicContact CG2-CD2 3.85Å
15S89.7Confident89Confident47 Ų4775.3 Ų75.333%0.32939%0.394SS..Hα-helixtrans-65.9-21.1177.2-178.10000113.5I11 R12 D13 I24I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 3.03Å; R12-S15 PolarHBondContact O-N 2.98Å; D13-S15 VanDerWaalsContact C-N 3.34Å; D13-S15 PolarHBondContact O-N 3.35Å; S15-I24 WeakPolarHBondContact OG-CD1 3.44Å
16M89.7Confident89.7Confident145 Ų14576.9 Ų76.971%0.71440%0.396SS*.Hα-helixtrans-90.4-10.8177.1-69.3-177.2177.900112.8R12 D13 T14R12-M16 HydrophobicContact CG-CE 3.91Å; R12-M16 HydrophobicContact CG-SD 4.48Å; R12-M16 WeakPolarHBondContact O-CG 3.3Å; R12-M16 PolarHBondContact O-N 3.38Å; D13-M16 PolarHBondContact O-N 3.47Å; D13-M16 VanDerWaalsContact O-N 3.1Å; T14-M16 PolarHBondContact O-N 3.38Å
17E90.5Very high90.2Very high106 Ų10670.9 Ų70.950%0.49537%0.37SS..SBendtrans-69.2130.8176.7-69.7176.4-169.700111.1D13 T14 S19 N20D13-E17 PolarHBondContact O-N 2.94Å; T14-E17 WeakPolarHBondContact O-CB 3.4Å; T14-E17 PolarHBondContact O-N 3.48Å; T14-E17 VanDerWaalsContact O-N 3.16Å; E17-S19 PolarHBondContact O-N 3.11Å; E17-S19 VanDerWaalsContact O-N 3.15Å; E17-N20 HydrophobicContact CB-CB 4.42Å; E17-N20 VanDerWaalsContact O-CB 3.31Å; E17-N20 WeakPolarHBondContact O-CB 3.07Å; E17-N20 PolarHBondContact O-N 3.1Å
18K82.3Confident90.3Very high221 Ų22168 Ų6896%0.96136%0.359SS*.THydrogen-bonded Turntrans-61-25.8-178.5-70.6-175.7178.1179.60113.8N20K18-N20 VanDerWaalsContact C-N 3.33Å
19S87.9Confident90.4Very high95 Ų9574.6 Ų74.666%0.66439%0.39SS*.THydrogen-bonded Turntrans-84.2-5.4178.945.30000113.6E17 I21E17-S19 PolarHBondContact O-N 3.11Å; E17-S19 VanDerWaalsContact O-N 3.15Å; S19-I21 PolarHBondContact O-N 3.44Å
20N87.5Confident90.6Very high41 Ų4180.1 Ų80.122%0.21941%0.414CS..  trans-72.8118-175.4178.544.3000111.3T14 E17 K18 L22T14-N20 VanDerWaalsContact O-CB 3.22Å; T14-N20 WeakPolarHBondContact O-CB 3.27Å; E17-N20 HydrophobicContact CB-CB 4.42Å; E17-N20 VanDerWaalsContact O-CB 3.31Å; E17-N20 WeakPolarHBondContact O-CB 3.07Å; E17-N20 PolarHBondContact O-N 3.1Å; K18-N20 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact ND2-O 3.49Å; N20-L22 WeakPolarHBondContact OD1-CB 3.38Å; N20-L22 PolarHBondContact OD1-N 3.07Å
21I90.4Very high90.7Very high158 Ų15877.5 Ų77.581%0.8141%0.405SS*.  trans-97.4-8.3174.758.9171.8000112.7S19S19-I21 PolarHBondContact O-N 3.44Å
22L90.4Very high90.7Very high60 Ų6080.3 Ų80.331%0.31444%0.435SS..  trans-88.6136.7-174.7-58.7174.8000111.1N20 E26 L27 I30N20-L22 PolarHBondContact ND2-O 3.49Å; N20-L22 WeakPolarHBondContact OD1-CB 3.38Å; N20-L22 PolarHBondContact OD1-N 3.07Å; L22-E26 HydrophobicContact CB-CB 4.29Å; L22-E26 HydrophobicContact CD2-CB 4.35Å; L22-L27 HydrophobicContact CB-CD2 3.94Å; L22-L27 HydrophobicContact CB-CG 3.95Å; L22-L27 HydrophobicContact CD1-CD2 3.74Å; L22-L27 HydrophobicContact CG-CD2 4.5Å; L22-I30 HydrophobicContact CD1-CD1 3.74Å
23T92.1Very high90.8Very high77 Ų7778.4 Ų78.447%0.47243%0.431SS..  trans-70.9158.9170.866.60000111S25 E26 L27T23-S25 PolarHBondContact O-N 2.92Å; T23-S25 VanDerWaalsContact O-N 3.14Å; T23-E26 WeakPolarHBondContact CB-OE2 3.23Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.49Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.28Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.91Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; T23-L27 PolarHBondContact O-N 2.81Å
24I90.6Very high91Very high26 Ų2677.7 Ų77.713%0.13343%0.432CS..Hα-helixtrans-55.4-33.2173.8-64.4-61.1000111.9I11 S15 L27 C28 Y38 Y39I11-I24 HydrophobicContact CG2-CD1 4.24Å; S15-I24 WeakPolarHBondContact OG-CD1 3.44Å; I24-L27 HydrophobicContact CD1-CD1 4.48Å; I24-C28 VanDerWaalsContact O-CB 3.31Å; I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.31Å; I24-C28 PolarHBondContact O-SG 3.19Å; I24-Y38 HydrophobicContact CD1-CE1 3.87Å; I24-Y38 HydrophobicContact CG1-CE1 4.36Å; I24-Y38 HydrophobicContact CG2-CD1 3.6Å; I24-Y38 HydrophobicContact CG2-CE1 3.67Å; I24-Y39 HydrophobicContact CG2-CE2 4.14Å
25S92.2Very high91Very high55 Ų5582.7 Ų82.739%0.38545%0.447SS..Hα-helixtrans-63.6-48.2177.2-62.80000111.3T23 C28 E29T23-S25 PolarHBondContact O-N 2.92Å; T23-S25 VanDerWaalsContact O-N 3.14Å; S25-C28 PolarHBondContact O-N 3.1Å; S25-E29 PolarHBondContact O-N 2.76Å
26E94.1Very high91.1Very high80 Ų8084.8 Ų84.837%0.37446%0.462SS..Hα-helixtrans-65.1-42178.5-69.2159.4130.500111.4L22 T23 C28 E29 I30L22-E26 HydrophobicContact CB-CB 4.29Å; L22-E26 HydrophobicContact CD2-CB 4.35Å; T23-E26 WeakPolarHBondContact CB-OE2 3.23Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.49Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.28Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.91Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; E26-C28 VanDerWaalsContact C-N 3.35Å; E26-C28 PolarHBondContact O-N 3.46Å; E26-E29 PolarHBondContact O-N 2.75Å; E26-I30 VanDerWaalsContact O-CG1 3.26Å; E26-I30 WeakPolarHBondContact O-CG1 3.36Å; E26-I30 PolarHBondContact O-N 2.85Å
27L93.8Very high91.1Very high14 Ų1478.8 Ų78.87%0.07344%0.437CS..Hα-helixtrans-62.7-40.6176-68.8174.9000112.3I11 T14 L22 T23 I24 A31I11-L27 HydrophobicContact CG1-CB 4.27Å; I11-L27 HydrophobicContact CG2-CB 3.98Å; I11-L27 HydrophobicContact CG2-CD1 4.26Å; T14-L27 HydrophobicContact CG2-CD1 4.39Å; T14-L27 HydrophobicContact CG2-CD2 3.85Å; L22-L27 HydrophobicContact CB-CD2 3.94Å; L22-L27 HydrophobicContact CB-CG 3.95Å; L22-L27 HydrophobicContact CD1-CD2 3.74Å; L22-L27 HydrophobicContact CG-CD2 4.5Å; T23-L27 PolarHBondContact O-N 2.81Å; I24-L27 HydrophobicContact CD1-CD1 4.48Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 2.76Å
28C93.3Very high91.1Very high4 Ų474.2 Ų74.23%0.02742%0.416CS..Hα-helixtrans-64.3-40.9175.3-73.10000111.7I24 S25 E26 A31 G32 V33I24-C28 VanDerWaalsContact O-CB 3.31Å; I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.31Å; I24-C28 PolarHBondContact O-SG 3.19Å; S25-C28 PolarHBondContact O-N 3.1Å; E26-C28 VanDerWaalsContact C-N 3.35Å; E26-C28 PolarHBondContact O-N 3.46Å; C28-A31 PolarHBondContact O-N 3.38Å; C28-G32 PolarHBondContact O-N 3.42Å; C28-V33 CarbonylContact C-O 3.51Å; C28-V33 HydrophobicContact CB-CG2 4.32Å; C28-V33 WeakPolarHBondContact CB-O 3.48Å; C28-V33 PolarHBondContact O-N 3.13Å; C28-V33 VanDerWaalsContact O-O 3.07Å
29E92.6Very high91.6Very high158 Ų15868.6 Ų68.674%0.73839%0.389SS*.Hα-helixtrans-63.3-48.8176.8-173.5172.5-173.200111.5S25 E26 A31 G32S25-E29 PolarHBondContact O-N 2.76Å; E26-E29 PolarHBondContact O-N 2.75Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 2.76Å; E29-G32 PolarHBondContact O-N 2.75Å
30I93Very high91.7Very high128 Ų12866.7 Ų66.766%0.65638%0.379SS*.Hα-helixtrans-58.8-42.8176.8-68.1164.1000111.4L22 E26 G32L22-I30 HydrophobicContact CD1-CD1 3.74Å; E26-I30 VanDerWaalsContact O-CG1 3.26Å; E26-I30 WeakPolarHBondContact O-CG1 3.36Å; E26-I30 PolarHBondContact O-N 2.85Å; I30-G32 PolarHBondContact O-N 3.36Å
31A90.3Very high91.8Very high27 Ų2766.1 Ų66.122%0.22337%0.374CS..Hα-helixtrans-76.5-9.3179.200000113.7K7 I11 L27 C28 E29 V33K7-A31 HydrophobicContact CB-CB 4.48Å; K7-A31 WeakPolarHBondContact CD-O 3.1Å; I11-A31 HydrophobicContact CD1-CB 3.87Å; I11-A31 HydrophobicContact CG1-CB 4.19Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 2.76Å; C28-A31 PolarHBondContact O-N 3.38Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 2.76Å; A31-V33 HydrophobicContact CB-CG2 4.05Å
32G92.6Very high91.7Very high64 Ų6461 Ų6166%0.6635%0.348SS*.THydrogen-bonded Turntrans66.337.8-177.100000113.3C28 E29 I30C28-G32 PolarHBondContact O-N 3.42Å; E29-G32 PolarHBondContact O-N 2.75Å; I30-G32 PolarHBondContact O-N 3.36Å
33V92.5Very high91.7Very high24 Ų2462.6 Ų62.615%0.14536%0.364CS..  trans-126.7154.7178.9-62.90000111.3K7 F8 I11 C28 A31K7-V33 HydrophobicContact CB-CG1 4.08Å; K7-V33 HydrophobicContact CD-CG1 3.8Å; F8-V33 HydrophobicContact CD1-CB 4.36Å; F8-V33 HydrophobicContact CD1-CG2 3.9Å; F8-V33 HydrophobicContact CE1-CB 3.57Å; F8-V33 HydrophobicContact CE1-CG1 4.1Å; F8-V33 HydrophobicContact CE1-CG2 3.49Å; F8-V33 VanDerWaalsContact CE1-CG2 3.49Å; F8-V33 HydrophobicContact CZ-CB 4.13Å; F8-V33 HydrophobicContact CZ-CG1 4.43Å; I11-V33 HydrophobicContact CD1-CG2 3.48Å; I11-V33 VanDerWaalsContact CD1-CG2 3.48Å; C28-V33 CarbonylContact C-O 3.51Å; C28-V33 HydrophobicContact CB-CG2 4.32Å; C28-V33 WeakPolarHBondContact CB-O 3.48Å; C28-V33 PolarHBondContact O-N 3.13Å; C28-V33 VanDerWaalsContact O-O 3.07Å; A31-V33 HydrophobicContact CB-CG2 4.05Å
34S93.3Very high91.5Very high67 Ų6760.7 Ų60.747%0.46935%0.354SS..  trans-78.4142.1178.670.40000111.9S36 G37 Y38S34-S36 VanDerWaalsContact C-N 3.28Å; S34-S36 PolarHBondContact O-N 3.03Å; S34-S36 PolarHBondContact OG-OG 2.76Å; S34-G37 WeakPolarHBondContact O-CA 3.38Å; S34-G37 PolarHBondContact O-N 2.86Å; S34-G37 PolarHBondContact OG-N 3.13Å; S34-Y38 PolarHBondContact O-N 2.8Å
35R91.6Very high91.3Very high139 Ų13963.3 Ų63.353%0.52537%0.366SS..Hα-helixtrans-57.3-40.7172.8-179.6178.8155.6175.8-1.3112.1G37 Y38 Y39R35-G37 VanDerWaalsContact C-N 3.3Å; R35-G37 PolarHBondContact O-N 3.23Å; R35-Y38 PolarHBondContact O-N 3.48Å; R35-Y39 HydrophobicContact CG-CD2 3.75Å; R35-Y39 HydrophobicContact CG-CE2 3.52Å; R35-Y39 VanDerWaalsContact O-CD2 3.24Å; R35-Y39 WeakPolarHBondContact O-CD2 3.34Å; R35-Y39 PolarHBondContact O-N 2.83Å
36S91.8Very high91Very high91 Ų9168.8 Ų68.864%0.63639%0.385SS*.Hα-helixtrans-62.4-38.1175.654.10000112.1S34 A40S34-S36 VanDerWaalsContact C-N 3.28Å; S34-S36 PolarHBondContact O-N 3.03Å; S34-S36 PolarHBondContact OG-OG 2.76Å; S36-A40 VanDerWaalsContact O-CB 3.25Å; S36-A40 WeakPolarHBondContact O-CB 3.11Å; S36-A40 PolarHBondContact O-N 3.11Å
37G90.5Very high90.7Very high20 Ų2072.9 Ų72.921%0.20640%0.402CS..Hα-helixtrans-63-42.3173.600000112.6F8 S34 R35 A40 W41F8-G37 VanDerWaalsContact CZ-C 3.47Å; S34-G37 WeakPolarHBondContact O-CA 3.38Å; S34-G37 PolarHBondContact O-N 2.86Å; S34-G37 PolarHBondContact OG-N 3.13Å; R35-G37 VanDerWaalsContact C-N 3.3Å; R35-G37 PolarHBondContact O-N 3.23Å; G37-A40 PolarHBondContact O-N 3.28Å; G37-W41 VanDerWaalsContact O-CB 3.3Å; G37-W41 WeakPolarHBondContact O-CB 3.29Å; G37-W41 PolarHBondContact O-N 3.1Å
38Y91.2Very high90.3Very high9 Ų976 Ų764%0.03541%0.412CS..Hα-helixtrans-62.6-49176.5173.1-110.5000112.5F8 I11 R12 I24 S34 R35 A40 W41 L42F8-Y38 HydrophobicContact CB-CD2 4.12Å; F8-Y38 AromaticContact CD1-CD2 3.89Å; F8-Y38 HydrophobicContact CD1-CD2 3.89Å; F8-Y38 HydrophobicContact CD1-CG 4.34Å; F8-Y38 HydrophobicContact CG-CD2 4.33Å; I11-Y38 HydrophobicContact CB-CD2 4.26Å; I11-Y38 HydrophobicContact CB-CE2 4Å; I11-Y38 HydrophobicContact CG2-CD2 3.95Å; I11-Y38 HydrophobicContact CG2-CE1 4.29Å; I11-Y38 HydrophobicContact CG2-CE2 3.63Å; I11-Y38 HydrophobicContact CG2-CG 4.41Å; R12-Y38 WeakPolarHBondContact CA-OH 3.35Å; R12-Y38 HydrophobicContact CB-CE2 4.29Å; I24-Y38 HydrophobicContact CD1-CE1 3.87Å; I24-Y38 HydrophobicContact CG1-CE1 4.36Å; I24-Y38 HydrophobicContact CG2-CD1 3.6Å; I24-Y38 HydrophobicContact CG2-CE1 3.67Å; S34-Y38 PolarHBondContact O-N 2.8Å; R35-Y38 PolarHBondContact O-N 3.48Å; Y38-A40 PolarHBondContact O-N 3.16Å; Y38-W41 HydrophobicContact CD2-CE3 4.44Å; Y38-W41 HydrophobicContact CE2-CE3 4.41Å; Y38-W41 HydrophobicContact CE2-CZ3 4.48Å; Y38-W41 CarbonylContact O-C 3.51Å; Y38-W41 WeakPolarHBondContact O-CA 3.37Å; Y38-W41 WeakPolarHBondContact O-CB 3.14Å; Y38-W41 PolarHBondContact O-N 3.47Å; Y38-W41 VanDerWaalsContact O-N 3.09Å; Y38-L42 HydrophobicContact CD1-CD1 3.96Å; Y38-L42 HydrophobicContact CE1-CD1 3.33Å; Y38-L42 HydrophobicContact CE1-CG 4.4Å; Y38-L42 HydrophobicContact CE2-CD1 3.99Å; Y38-L42 HydrophobicContact CE2-CG 4.26Å; Y38-L42 PolarHBondContact O-N 3.41Å
39Y92.4Very high90Very high104 Ų10478.7 Ų78.741%0.40844%0.435SS..Hα-helixtrans-68.6-34.3178.4-74.4-69.3000112.9I24 R35 W41 L42 S43I24-Y39 HydrophobicContact CG2-CE2 4.14Å; R35-Y39 HydrophobicContact CG-CD2 3.75Å; R35-Y39 HydrophobicContact CG-CE2 3.52Å; R35-Y39 VanDerWaalsContact O-CD2 3.24Å; R35-Y39 WeakPolarHBondContact O-CD2 3.34Å; R35-Y39 PolarHBondContact O-N 2.83Å; Y39-W41 VanDerWaalsContact C-N 3.28Å; Y39-W41 PolarHBondContact O-N 2.82Å; Y39-L42 HydrophobicContact CD1-CD1 4.1Å; Y39-L42 HydrophobicContact CE1-CD1 4.4Å; Y39-L42 PolarHBondContact O-N 3.12Å; Y39-S43 WeakPolarHBondContact O-CB 3.45Å; Y39-S43 PolarHBondContact O-N 3.4Å; Y39-S43 PolarHBondContact O-OG 2.81Å
40A89.4Confident89.9Confident54 Ų5474.2 Ų74.245%0.44643%0.425SS..Hα-helixtrans-62.8-37.1169.300000111.6S36 G37 Y38 S43 S44S36-A40 VanDerWaalsContact O-CB 3.25Å; S36-A40 WeakPolarHBondContact O-CB 3.11Å; S36-A40 PolarHBondContact O-N 3.11Å; G37-A40 PolarHBondContact O-N 3.28Å; Y38-A40 PolarHBondContact O-N 3.16Å; A40-S43 WeakPolarHBondContact CA-OG 3.11Å; A40-S43 PolarHBondContact O-OG 2.89Å; A40-S44 VanDerWaalsContact O-CB 3.25Å; A40-S44 WeakPolarHBondContact O-CB 3.38Å; A40-S44 PolarHBondContact O-N 2.72Å; A40-S44 VanDerWaalsContact O-N 3.1Å; A40-S44 PolarHBondContact O-OG 3.12Å
41W90Very high89.7Confident29 Ų2975.9 Ų75.911%0.1142%0.423CS..Hα-helixtrans-67.8-41.8174.4179.494.2000112.1S5 F8 R12 G37 Y38 Y39 S44 R48S5-W41 PolarHBondContact OG-NE1 3.38Å; F8-W41 HydrophobicContact CB-CB 4.32Å; F8-W41 HydrophobicContact CB-CD2 3.46Å; F8-W41 VanDerWaalsContact CB-CD2 3.46Å; F8-W41 HydrophobicContact CB-CE3 3.69Å; F8-W41 HydrophobicContact CB-CG 3.75Å; F8-W41 HydrophobicContact CB-CH2 4.47Å; F8-W41 HydrophobicContact CB-CZ2 4.28Å; F8-W41 HydrophobicContact CB-CZ3 4.18Å; F8-W41 HydrophobicContact CD2-CB 3.58Å; F8-W41 AromaticContact CD2-CD1 3.53Å; F8-W41 HydrophobicContact CD2-CD2 4.17Å; F8-W41 AromaticContact CD2-CG 3.49Å; F8-W41 HydrophobicContact CD2-CG 3.49Å; F8-W41 VanDerWaalsContact CD2-CG 3.49Å; F8-W41 HydrophobicContact CE2-CB 4.06Å; F8-W41 HydrophobicContact CE2-CG 4.37Å; F8-W41 HydrophobicContact CG-CB 4.04Å; F8-W41 HydrophobicContact CG-CD2 4.15Å; F8-W41 AromaticContact CG-CG 3.9Å; F8-W41 HydrophobicContact CG-CG 3.9Å; R12-W41 HydrophobicContact CB-CZ3 4.27Å; G37-W41 VanDerWaalsContact O-CB 3.3Å; G37-W41 WeakPolarHBondContact O-CB 3.29Å; G37-W41 PolarHBondContact O-N 3.1Å; Y38-W41 HydrophobicContact CD2-CE3 4.44Å; Y38-W41 HydrophobicContact CE2-CE3 4.41Å; Y38-W41 HydrophobicContact CE2-CZ3 4.48Å; Y38-W41 CarbonylContact O-C 3.51Å; Y38-W41 WeakPolarHBondContact O-CA 3.37Å; Y38-W41 WeakPolarHBondContact O-CB 3.14Å; Y38-W41 PolarHBondContact O-N 3.47Å; Y38-W41 VanDerWaalsContact O-N 3.09Å; Y39-W41 VanDerWaalsContact C-N 3.28Å; Y39-W41 PolarHBondContact O-N 2.82Å; W41-S44 PolarHBondContact O-OG 3.27Å; W41-R48 PolarHBondContact O-NH1 2.7Å; W41-R48 PolarHBondContact O-NH2 2.92Å
42L88.1Confident89.7Confident51 Ų5178.9 Ų78.927%0.26743%0.432SS..Hα-helixtrans-63.1-54.2174.2-87.1162.8000111.8Y38 Y39 S44 E45Y38-L42 HydrophobicContact CD1-CD1 3.96Å; Y38-L42 HydrophobicContact CE1-CD1 3.33Å; Y38-L42 HydrophobicContact CE1-CG 4.4Å; Y38-L42 HydrophobicContact CE2-CD1 3.99Å; Y38-L42 HydrophobicContact CE2-CG 4.26Å; Y38-L42 PolarHBondContact O-N 3.41Å; Y39-L42 HydrophobicContact CD1-CD1 4.1Å; Y39-L42 HydrophobicContact CE1-CD1 4.4Å; Y39-L42 PolarHBondContact O-N 3.12Å; L42-S44 PolarHBondContact O-N 3.49Å; L42-S44 VanDerWaalsContact O-N 3.14Å; L42-E45 WeakPolarHBondContact O-CB 3.25Å; L42-E45 PolarHBondContact O-N 2.72Å
43S89.6Confident89.6Confident94 Ų9478.8 Ų78.866%0.65743%0.426SS*.Hα-helixtrans-61.8-24.8-178.455.90000113.9Y39 A40Y39-S43 WeakPolarHBondContact O-CB 3.45Å; Y39-S43 PolarHBondContact O-N 3.4Å; Y39-S43 PolarHBondContact O-OG 2.81Å; A40-S43 WeakPolarHBondContact CA-OG 3.11Å; A40-S43 PolarHBondContact O-OG 2.89Å
44S87.6Confident89.7Confident37 Ų3782.4 Ų82.426%0.25944%0.441SS..THydrogen-bonded Turntrans-87-1176.660.50000114.3A40 W41 L42 Q46 K47 R48A40-S44 VanDerWaalsContact O-CB 3.25Å; A40-S44 WeakPolarHBondContact O-CB 3.38Å; A40-S44 PolarHBondContact O-N 2.72Å; A40-S44 VanDerWaalsContact O-N 3.1Å; A40-S44 PolarHBondContact O-OG 3.12Å; W41-S44 PolarHBondContact O-OG 3.27Å; L42-S44 PolarHBondContact O-N 3.49Å; L42-S44 VanDerWaalsContact O-N 3.14Å; S44-Q46 PolarHBondContact O-N 2.87Å; S44-K47 PolarHBondContact O-N 3.25Å; S44-K47 VanDerWaalsContact O-N 3.13Å; S44-R48 WeakPolarHBondContact O-CG 3.32Å; S44-R48 PolarHBondContact O-N 3.04Å; S44-R48 PolarHBondContact OG-NH1 3.04Å
45E86.4Confident89.8Confident81 Ų8179.6 Ų79.638%0.37942%0.421SS..Hα-helixtrans-56.2-50.9-175.6-177.2168.8-143.700112.9R12 L42 K47 R48 A49R12-E45 IonicContact NH1-OE1 2.96Å; R12-E45 PolarHBondContact NH1-OE1 3.28Å; L42-E45 WeakPolarHBondContact O-CB 3.25Å; L42-E45 PolarHBondContact O-N 2.72Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.41Å; E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 VanDerWaalsContact O-N 3.12Å; E45-A49 PolarHBondContact O-N 3.14Å
46Q86.7Confident89.8Confident169 Ų16974.7 Ų74.779%0.7941%0.41SS*.Hα-helixtrans-59.1-41.5177.3-68.6-177.1-5.800112S44 A49 A50S44-Q46 PolarHBondContact O-N 2.87Å; Q46-A49 PolarHBondContact O-N 3.46Å; Q46-A50 WeakPolarHBondContact O-CB 3.43Å; Q46-A50 PolarHBondContact O-N 2.99Å
47K87.3Confident89.9Confident167 Ų16772.6 Ų72.673%0.72640%0.398SS*.Hα-helixtrans-66.1-38177-69-177.9-179.1175.50111.8S44 E45 R51S44-K47 PolarHBondContact O-N 3.25Å; S44-K47 VanDerWaalsContact O-N 3.13Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.41Å; K47-R51 WeakPolarHBondContact O-CB 3.25Å; K47-R51 PolarHBondContact O-N 2.99Å
48R85.8Confident90.2Very high78 Ų7872.1 Ų72.129%0.29439%0.391SS..Hα-helixtrans-64.7-46.8174.5-72.3-165.1-59.3-104.62.9111.1W41 S44 E45 A50 R51 E52W41-R48 PolarHBondContact O-NH1 2.7Å; W41-R48 PolarHBondContact O-NH2 2.92Å; S44-R48 WeakPolarHBondContact O-CG 3.32Å; S44-R48 PolarHBondContact O-N 3.04Å; S44-R48 PolarHBondContact OG-NH1 3.04Å; E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 VanDerWaalsContact O-N 3.12Å; R48-A50 PolarHBondContact O-N 2.98Å; R48-R51 PolarHBondContact O-N 2.9Å; R48-E52 PolarHBondContact O-N 3.04Å
49A86.7Confident90.5Very high61 Ų6172.6 Ų72.650%0.50439%0.393SS..Hα-helixtrans-60.4-45.4178.300000111.6E45 Q46 R51 E52 A53E45-A49 PolarHBondContact O-N 3.14Å; Q46-A49 PolarHBondContact O-N 3.46Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.29Å; A49-E52 PolarHBondContact O-N 3.38Å; A49-A53 PolarHBondContact O-N 2.75Å
50A90.5Very high90.7Very high64 Ų6473.2 Ų73.253%0.52940%0.4SS..Hα-helixtrans-61.2-40.9175.200000112.4Q46 R48 A53 Q54Q46-A50 WeakPolarHBondContact O-CB 3.43Å; Q46-A50 PolarHBondContact O-N 2.99Å; R48-A50 PolarHBondContact O-N 2.98Å; A50-A53 PolarHBondContact O-N 2.74Å; A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.81Å
51R89.8Confident91.1Very high163 Ų16373.6 Ų73.662%0.61539%0.392SS*.Hα-helixtrans-65.7-38.2175.9-174.9178-178173.32.1112.3K47 R48 A49 Q54 D55K47-R51 WeakPolarHBondContact O-CB 3.25Å; K47-R51 PolarHBondContact O-N 2.99Å; R48-R51 PolarHBondContact O-N 2.9Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 3.29Å; R51-Q54 PolarHBondContact O-N 3.33Å; R51-D55 WeakPolarHBondContact O-CB 3.44Å; R51-D55 PolarHBondContact O-N 3.44Å
52E89.2Confident91.4Very high90 Ų9072.2 Ų72.242%0.42139%0.387SS..Hα-helixtrans-66.1-45.4177-165.559.3-135.600111.2R48 A49 Q54 D55 A56 K100R48-E52 PolarHBondContact O-N 3.04Å; A49-E52 PolarHBondContact O-N 3.38Å; E52-Q54 VanDerWaalsContact C-N 3.33Å; E52-Q54 PolarHBondContact O-N 3.1Å; E52-D55 PolarHBondContact O-N 3.34Å; E52-A56 PolarHBondContact O-N 2.95Å; E52-K100 WeakPolarHBondContact OE1-CE 3.37Å; E52-K100 IonicContact OE1-NZ 2.66Å; E52-K100 PolarHBondContact OE1-NZ 3Å; E52-K100 IonicContact OE2-NZ 2.63Å; E52-K100 PolarHBondContact OE2-NZ 3.43Å
53A91.1Very high91.8Very high63 Ų6370.9 Ų70.952%0.52138%0.38SS..Hα-helixtrans-59.8-43.1174.700000111.8A49 A50 A56 A57A49-A53 PolarHBondContact O-N 2.75Å; A50-A53 PolarHBondContact O-N 2.74Å; A53-A56 PolarHBondContact O-N 2.89Å; A53-A57 WeakPolarHBondContact O-CB 3.47Å; A53-A57 PolarHBondContact O-N 2.69Å
54Q93.7Very high92Very high100 Ų10072.7 Ų72.747%0.46738%0.378SS..Hα-helixtrans-64.4-44175.5-172.163.556.600112A50 R51 E52 A56 A57 D58A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.81Å; R51-Q54 PolarHBondContact O-N 3.33Å; E52-Q54 VanDerWaalsContact C-N 3.33Å; E52-Q54 PolarHBondContact O-N 3.1Å; Q54-A56 VanDerWaalsContact C-N 3.28Å; Q54-A56 PolarHBondContact O-N 3.1Å; Q54-A57 PolarHBondContact O-N 2.75Å; Q54-D58 PolarHBondContact NE2-OD1 2.95Å; Q54-D58 WeakPolarHBondContact O-CB 3.09Å; Q54-D58 PolarHBondContact O-N 3.44Å
55D95.4Very high92.4Very high7 Ų771.1 Ų71.14%0.03737%0.368CS..Hα-helixtrans-59.4-40.5176.4-85.21.7000111.3R51 E52 F59 R96 L97 K100 F101R51-D55 WeakPolarHBondContact O-CB 3.44Å; R51-D55 PolarHBondContact O-N 3.44Å; E52-D55 PolarHBondContact O-N 3.34Å; D55-F59 VanDerWaalsContact O-CB 3.22Å; D55-F59 WeakPolarHBondContact O-CB 3.33Å; D55-F59 PolarHBondContact O-N 2.83Å; D55-R96 IonicContact OD1-CZ 3.53Å; D55-R96 IonicContact OD1-NH1 3.48Å; D55-R96 PolarHBondContact OD1-NH1 2.99Å; D55-R96 IonicContact OD1-NH2 2.68Å; D55-R96 PolarHBondContact OD1-NH2 3.21Å; D55-R96 IonicContact OD2-CZ 3.5Å; D55-R96 IonicContact OD2-NH1 2.74Å; D55-R96 PolarHBondContact OD2-NH1 2.89Å; D55-R96 IonicContact OD2-NH2 3.42Å; D55-R96 PolarHBondContact OD2-NH2 2.81Å; D55-L97 HydrophobicContact CB-CD2 3.6Å; D55-L97 VanDerWaalsContact CG-CD2 3.44Å; D55-K100 IonicContact OD2-NZ 2.84Å; D55-K100 PolarHBondContact OD2-NZ 3.36Å; D55-F101 HydrophobicContact CB-CE2 4.39Å
56A92.5Very high92.7Very high37 Ų3768.9 Ų68.931%0.30636%0.356SS..Hα-helixtrans-66.6-45176.200000112E52 A53 Q54 F59 Q60 F101E52-A56 PolarHBondContact O-N 2.95Å; A53-A56 PolarHBondContact O-N 2.89Å; Q54-A56 VanDerWaalsContact C-N 3.28Å; Q54-A56 PolarHBondContact O-N 3.1Å; A56-F59 PolarHBondContact O-N 2.92Å; A56-Q60 WeakPolarHBondContact O-CG 3.4Å; A56-Q60 PolarHBondContact O-N 3.07Å; A56-F101 HydrophobicContact CB-CZ 4.23Å
57A94.9Very high93Very high47 Ų4768.6 Ų68.639%0.38835%0.348SS..Hα-helixtrans-62.5-45.217700000111.9A53 Q54 F59 Q60 Q61A53-A57 WeakPolarHBondContact O-CB 3.47Å; A53-A57 PolarHBondContact O-N 2.69Å; Q54-A57 PolarHBondContact O-N 2.75Å; A57-F59 VanDerWaalsContact C-N 3.28Å; A57-F59 PolarHBondContact O-N 3.13Å; A57-Q60 PolarHBondContact O-N 3.47Å; A57-Q61 PolarHBondContact O-N 3.37Å
58D96.7Very high93.3Very high10 Ų1064.3 Ų64.35%0.05333%0.329CS..Hα-helixtrans-62.8-37174.9-68.7-29000111.6Q54 Q60 Q61 I62 M89 K93 L97Q54-D58 PolarHBondContact NE2-OD1 2.95Å; Q54-D58 WeakPolarHBondContact O-CB 3.09Å; Q54-D58 PolarHBondContact O-N 3.44Å; D58-Q60 VanDerWaalsContact C-N 3.34Å; D58-Q61 WeakPolarHBondContact O-CB 3.49Å; D58-Q61 PolarHBondContact O-N 3.21Å; D58-I62 WeakPolarHBondContact O-CG1 3.14Å; D58-I62 PolarHBondContact O-N 3.28Å; D58-I62 VanDerWaalsContact O-N 3.08Å; D58-M89 HydrophobicContact CB-CE 3.68Å; D58-K93 IonicContact OD1-NZ 2.58Å; D58-K93 WeakPolarHBondContact OD2-CE 3.3Å; D58-K93 IonicContact OD2-NZ 3.2Å; D58-K93 PolarHBondContact OD2-NZ 2.95Å; D58-L97 HydrophobicContact CB-CD1 3.5Å; D58-L97 VanDerWaalsContact CB-CD1 3.5Å
59F97.2Very high93.6Very high19 Ų1969.5 Ų69.58%0.08335%0.349CS..Hα-helixtrans-67.1-33.7177.3-178.5-106.2000112.5D55 A56 A57 Q61 I62 L63 L97 F101 L103D55-F59 VanDerWaalsContact O-CB 3.22Å; D55-F59 WeakPolarHBondContact O-CB 3.33Å; D55-F59 PolarHBondContact O-N 2.83Å; A56-F59 PolarHBondContact O-N 2.92Å; A57-F59 VanDerWaalsContact C-N 3.28Å; A57-F59 PolarHBondContact O-N 3.13Å; F59-Q61 VanDerWaalsContact C-N 3.31Å; F59-Q61 PolarHBondContact O-N 3.47Å; F59-I62 HydrophobicContact CD2-CB 4.41Å; F59-I62 HydrophobicContact CD2-CG2 4.29Å; F59-I62 HydrophobicContact CE2-CG2 4.4Å; F59-I62 WeakPolarHBondContact O-CB 3.46Å; F59-I62 PolarHBondContact O-N 2.85Å; F59-L63 HydrophobicContact CE1-CD2 4.47Å; F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.44Å; F59-L97 HydrophobicContact CD2-CB 4.38Å; F59-F101 HydrophobicContact CB-CD2 3.6Å; F59-F101 HydrophobicContact CB-CE2 3.61Å; F59-F101 HydrophobicContact CB-CG 4.3Å; F59-F101 HydrophobicContact CB-CZ 4.33Å; F59-F101 HydrophobicContact CD1-CB 3.83Å; F59-F101 HydrophobicContact CD1-CD1 4.07Å; F59-F101 AromaticContact CD1-CD2 3.85Å; F59-F101 HydrophobicContact CD1-CD2 3.85Å; F59-F101 HydrophobicContact CD1-CE2 4.42Å; F59-F101 AromaticContact CD1-CG 3.66Å; F59-F101 HydrophobicContact CD1-CG 3.66Å; F59-F101 HydrophobicContact CD2-CB 3.77Å; F59-F101 AromaticContact CD2-CD2 3.56Å; F59-F101 HydrophobicContact CD2-CD2 3.56Å; F59-F101 HydrophobicContact CD2-CE2 4.44Å; F59-F101 AromaticContact CD2-CG 3.91Å; F59-F101 HydrophobicContact CD2-CG 3.91Å; F59-F101 HydrophobicContact CE1-CB 3.53Å; F59-F101 HydrophobicContact CE1-CD1 4.35Å; F59-F101 HydrophobicContact CE1-CD2 4.44Å; F59-F101 AromaticContact CE1-CG 3.89Å; F59-F101 HydrophobicContact CE1-CG 3.89Å; F59-F101 HydrophobicContact CE2-CB 3.47Å; F59-F101 VanDerWaalsContact CE2-CB 3.47Å; F59-F101 HydrophobicContact CE2-CD2 4.2Å; F59-F101 HydrophobicContact CE2-CG 4.14Å; F59-F101 HydrophobicContact CG-CB 3.94Å; F59-F101 HydrophobicContact CG-CD1 4.42Å; F59-F101 AromaticContact CG-CD2 3.35Å; F59-F101 HydrophobicContact CG-CD2 3.35Å; F59-F101 AromaticContact CG-CE2 3.91Å; F59-F101 HydrophobicContact CG-CE2 3.91Å; F59-F101 AromaticContact CG-CG 3.66Å; F59-F101 HydrophobicContact CG-CG 3.66Å; F59-F101 HydrophobicContact CZ-CB 3.34Å; F59-F101 HydrophobicContact CZ-CG 4.12Å; F59-L103 HydrophobicContact CE2-CB 3.8Å; F59-L103 HydrophobicContact CE2-CD2 3.92Å; F59-L103 HydrophobicContact CE2-CG 4.47Å; F59-L103 HydrophobicContact CZ-CB 3.93Å; F59-L103 HydrophobicContact CZ-CD2 4.2Å
60Q96.5Very high93.6Very high116 Ų11670 Ų7054%0.54236%0.36SS..Hα-helixtrans-60.4-42172.9-67-57-27.600111.8A56 A57 D58 I62 L63 E64A56-Q60 WeakPolarHBondContact O-CG 3.4Å; A56-Q60 PolarHBondContact O-N 3.07Å; A57-Q60 PolarHBondContact O-N 3.47Å; D58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-I62 VanDerWaalsContact C-N 3.35Å; Q60-I62 PolarHBondContact O-N 3.29Å; Q60-L63 PolarHBondContact O-N 2.8Å; Q60-E64 PolarHBondContact O-N 2.97Å
61Q96.9Very high93.4Very high62 Ų6274.2 Ų74.229%0.2936%0.363SS..Hα-helixtrans-63.7-41.1175.4-59.2171.77.400111.6A57 D58 F59 L63 A65 L82 I87A57-Q61 PolarHBondContact O-N 3.37Å; D58-Q61 WeakPolarHBondContact O-CB 3.49Å; D58-Q61 PolarHBondContact O-N 3.21Å; F59-Q61 VanDerWaalsContact C-N 3.31Å; F59-Q61 PolarHBondContact O-N 3.47Å; Q61-L63 VanDerWaalsContact C-N 3.33Å; Q61-L63 PolarHBondContact O-N 3.08Å; Q61-A65 WeakPolarHBondContact O-CB 3.19Å; Q61-A65 PolarHBondContact O-N 3.37Å; Q61-L82 HydrophobicContact CB-CD2 4.02Å; Q61-I87 HydrophobicContact CB-CD1 4.31Å; Q61-I87 HydrophobicContact CG-CD1 4.11Å; Q61-I87 VanDerWaalsContact OE1-CG2 3.3Å
62I97.3Very high93.2Very high0 Ų067.4 Ų67.40%034%0.342CS..Hα-helixtrans-60.2-44.1173.5-71.9170.6000110.8D58 F59 Q60 A65 Y66 I78 L82 M89 I94 L97 M98 L103D58-I62 WeakPolarHBondContact O-CG1 3.14Å; D58-I62 PolarHBondContact O-N 3.28Å; D58-I62 VanDerWaalsContact O-N 3.08Å; F59-I62 HydrophobicContact CD2-CB 4.41Å; F59-I62 HydrophobicContact CD2-CG2 4.29Å; F59-I62 HydrophobicContact CE2-CG2 4.4Å; F59-I62 WeakPolarHBondContact O-CB 3.46Å; F59-I62 PolarHBondContact O-N 2.85Å; Q60-I62 VanDerWaalsContact C-N 3.35Å; Q60-I62 PolarHBondContact O-N 3.29Å; I62-A65 PolarHBondContact O-N 2.88Å; I62-Y66 WeakPolarHBondContact O-CB 3.23Å; I62-Y66 PolarHBondContact O-N 3.22Å; I62-I78 HydrophobicContact CB-CG2 4.41Å; I62-I78 HydrophobicContact CG1-CG2 4.29Å; I62-I78 HydrophobicContact CG2-CD1 4.06Å; I62-I78 HydrophobicContact CG2-CG2 4.17Å; I62-L82 HydrophobicContact CG1-CD1 4.42Å; I62-M89 HydrophobicContact CD1-SD 3.74Å; I62-M89 HydrophobicContact CG1-CE 4.32Å; I62-M89 HydrophobicContact CG1-SD 3.94Å; I62-I94 HydrophobicContact CD1-CB 4.27Å; I62-I94 HydrophobicContact CD1-CG1 4.28Å; I62-I94 HydrophobicContact CD1-CG2 4.15Å; I62-I94 HydrophobicContact CG1-CG1 4.41Å; I62-I94 HydrophobicContact CG1-CG2 4.31Å; I62-L97 HydrophobicContact CD1-CB 3.65Å; I62-L97 HydrophobicContact CD1-CD1 3.68Å; I62-L97 HydrophobicContact CD1-CG 4.27Å; I62-M98 HydrophobicContact CG2-CG 3.94Å; I62-L103 HydrophobicContact CG2-CD2 3.96Å
63L95.9Very high93.1Very high23 Ų2365 Ų6512%0.1233%0.33CS..Hα-helixtrans-66.8-41.1-177.5-17660.6000111.6F59 Q60 Q61 Y66 R67 L103F59-L63 HydrophobicContact CE1-CD2 4.47Å; F59-L63 WeakPolarHBondContact O-CB 3.4Å; F59-L63 PolarHBondContact O-N 3.44Å; Q60-L63 PolarHBondContact O-N 2.8Å; Q61-L63 VanDerWaalsContact C-N 3.33Å; Q61-L63 PolarHBondContact O-N 3.08Å; L63-Y66 HydrophobicContact CD1-CD1 4.36Å; L63-Y66 WeakPolarHBondContact O-CB 3.35Å; L63-Y66 PolarHBondContact O-N 3.24Å; L63-R67 HydrophobicContact CD1-CG 4.35Å; L63-R67 WeakPolarHBondContact O-CB 3.21Å; L63-R67 WeakPolarHBondContact O-CG 3.47Å; L63-R67 PolarHBondContact O-N 3.5Å; L63-L103 HydrophobicContact CD1-CD1 4.01Å; L63-L103 HydrophobicContact CD1-CD2 4.33Å
64E94.7Very high92.9Very high132 Ų13263.5 Ų63.562%0.61732%0.321SS*.Hα-helixtrans-61.9-49.1173.7-169.5-170161.800111.1Q60 Y66 R67 F68Q60-E64 PolarHBondContact O-N 2.97Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.89Å; E64-R67 PolarHBondContact O-N 3.29Å; E64-F68 PolarHBondContact O-N 3.07Å
65A94.5Very high92.8Very high5 Ų560.1 Ų60.14%0.04131%0.307CS..Hα-helixtrans-60.8-39.8176.500000112.3Q61 I62 F68 K73 I78 R81 L82Q61-A65 WeakPolarHBondContact O-CB 3.19Å; Q61-A65 PolarHBondContact O-N 3.37Å; I62-A65 PolarHBondContact O-N 2.88Å; A65-F68 PolarHBondContact O-N 3.49Å; A65-K73 WeakPolarHBondContact O-CD 3.32Å; A65-K73 PolarHBondContact O-NZ 3.3Å; A65-K73 VanDerWaalsContact O-NZ 3.07Å; A65-I78 HydrophobicContact CB-CG2 4Å; A65-R81 HydrophobicContact CB-CB 4.01Å; A65-R81 HydrophobicContact CB-CG 3.69Å; A65-L82 HydrophobicContact CB-CD2 4.03Å; A65-L82 HydrophobicContact CB-CG 4.14Å
66Y94.2Very high92.6Very high34 Ų3469.9 Ų69.913%0.13334%0.343CS..Hα-helixtrans-60.7-45.4175.3174-99.6000111.9I62 L63 E64 A72 K73 I78 L103 V104 C105 P106I62-Y66 WeakPolarHBondContact O-CB 3.23Å; I62-Y66 PolarHBondContact O-N 3.22Å; L63-Y66 HydrophobicContact CD1-CD1 4.36Å; L63-Y66 WeakPolarHBondContact O-CB 3.35Å; L63-Y66 PolarHBondContact O-N 3.24Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.89Å; Y66-A72 HydrophobicContact CD2-CB 4.48Å; Y66-A72 HydrophobicContact CE1-CB 4.38Å; Y66-A72 HydrophobicContact CE2-CB 3.62Å; Y66-A72 WeakPolarHBondContact O-CA 3.41Å; Y66-A72 WeakPolarHBondContact OH-CB 3.5Å; Y66-K73 VanDerWaalsContact CD2-O 3.26Å; Y66-K73 WeakPolarHBondContact CD2-O 3.38Å; Y66-I78 HydrophobicContact CD2-CD1 4.2Å; Y66-L103 HydrophobicContact CD1-CD1 3.8Å; Y66-L103 HydrophobicContact CD1-CD2 4.19Å; Y66-L103 HydrophobicContact CD1-CG 4.38Å; Y66-L103 HydrophobicContact CD2-CD2 4.14Å; Y66-L103 HydrophobicContact CD2-CG 4.36Å; Y66-L103 HydrophobicContact CE1-CD1 3.75Å; Y66-L103 HydrophobicContact CG-CD1 4.23Å; Y66-L103 HydrophobicContact CG-CD2 3.83Å; Y66-L103 HydrophobicContact CG-CG 4.31Å; Y66-V104 PolarHBondContact OH-O 3.08Å; Y66-C105 HydrophobicContact CE2-CB 4.23Å; Y66-P106 WeakPolarHBondContact OH-CD 3.45Å
67R92.9Very high92.5Very high162 Ų16269.6 Ų69.661%0.61134%0.344SS*.Hα-helixtrans-84.8-8-177.7-67.7-179.1174.5164.8-2114.4L63 E64 R69 G70L63-R67 HydrophobicContact CD1-CG 4.35Å; L63-R67 WeakPolarHBondContact O-CB 3.21Å; L63-R67 WeakPolarHBondContact O-CG 3.47Å; L63-R67 PolarHBondContact O-N 3.5Å; E64-R67 PolarHBondContact O-N 3.29Å; R67-R69 PolarHBondContact O-N 3.42Å; R67-R69 VanDerWaalsContact O-N 3.15Å; R67-G70 WeakPolarHBondContact O-CA 3.13Å; R67-G70 PolarHBondContact O-N 3.15Å
68F92.6Very high92.5Very high78 Ų7867.3 Ų67.334%0.34233%0.326SS..G310 helixtrans-50.6123-175.6176.8-108.2000112.3E64 A65 G70 K73 R81E64-F68 PolarHBondContact O-N 3.07Å; A65-F68 PolarHBondContact O-N 3.49Å; F68-G70 PolarHBondContact O-N 2.93Å; F68-K73 PolarHBondContact O-NZ 2.84Å; F68-R81 VanDerWaalsContact CE2-CZ 3.45Å
69R92Very high92.5Very high187 Ų18769.5 Ų69.571%0.70634%0.335SS*.G310 helixtrans61.118.6-174.4-71-168.654.7-156.3-11.8116.1R67 Y71R67-R69 PolarHBondContact O-N 3.42Å; R67-R69 VanDerWaalsContact O-N 3.15Å; R69-Y71 HydrophobicContact CB-CD2 4.05Å; R69-Y71 HydrophobicContact CB-CE2 4.48Å; R69-Y71 VanDerWaalsContact O-CD2 3.3Å; R69-Y71 WeakPolarHBondContact O-CD2 3.46Å; R69-Y71 PolarHBondContact O-N 3.49Å
70G86.5Confident92.3Very high72 Ų7273 Ų7374%0.74235%0.353SS*.G310 helixtrans77.5-3.6-178.900000114.8R67 F68R67-G70 WeakPolarHBondContact O-CA 3.13Å; R67-G70 PolarHBondContact O-N 3.15Å; F68-G70 PolarHBondContact O-N 2.93Å
71Y86.4Confident92.3Very high152 Ų15270.9 Ų70.960%0.59634%0.34SS*.  trans-95.4116.9178-61.7-75.5000111.3R69 K73R69-Y71 HydrophobicContact CB-CD2 4.05Å; R69-Y71 HydrophobicContact CB-CE2 4.48Å; R69-Y71 VanDerWaalsContact O-CD2 3.3Å; R69-Y71 WeakPolarHBondContact O-CD2 3.46Å; R69-Y71 PolarHBondContact O-N 3.49Å; Y71-K73 PolarHBondContact O-NZ 2.84Å
72A85.7Confident92.2Very high20 Ų2068 Ų6817%0.16533%0.327CS..  trans-54.5146.3171.800000111.6Y66 P106 I107Y66-A72 HydrophobicContact CD2-CB 4.48Å; Y66-A72 HydrophobicContact CE1-CB 4.38Å; Y66-A72 HydrophobicContact CE2-CB 3.62Å; Y66-A72 WeakPolarHBondContact O-CA 3.41Å; Y66-A72 WeakPolarHBondContact OH-CB 3.5Å; A72-P106 HydrophobicContact CB-CG 4.32Å; A72-I107 HydrophobicContact CB-CD1 4.12Å; A72-I107 HydrophobicContact CB-CG1 4.33Å; A72-I107 WeakPolarHBondContact O-CD1 3.37Å
73K86.6Confident92.1Very high38 Ų3871.4 Ų71.417%0.16535%0.345CS..  trans-131.7140.7179.6-66174-157.666.30110.8A65 Y66 F68 Y71 I78A65-K73 WeakPolarHBondContact O-CD 3.32Å; A65-K73 PolarHBondContact O-NZ 3.3Å; A65-K73 VanDerWaalsContact O-NZ 3.07Å; Y66-K73 VanDerWaalsContact CD2-O 3.26Å; Y66-K73 WeakPolarHBondContact CD2-O 3.38Å; F68-K73 PolarHBondContact O-NZ 2.84Å; Y71-K73 PolarHBondContact O-NZ 2.84Å; K73-I78 HydrophobicContact CB-CG1 3.92Å; K73-I78 WeakPolarHBondContact O-CD1 3.47Å
74G88.4Confident92Very high32 Ų3277.3 Ų77.333%0.3337%0.371SS..  trans-74.4173.9167.300000111.7R76 G77 I78 C105G74-R76 PolarHBondContact O-N 2.87Å; G74-R76 VanDerWaalsContact O-N 3.08Å; G74-G77 WeakPolarHBondContact O-CA 3.34Å; G74-G77 PolarHBondContact O-N 3.14Å; G74-I78 WeakPolarHBondContact O-CG1 3.22Å; G74-I78 PolarHBondContact O-N 3.37Å; G74-C105 PolarHBondContact N-SG 3.48Å
75V91.9Very high91.8Very high30 Ų3074 Ų7418%0.18236%0.36CS..Hα-helixtrans-45.8-45.1-179.5176.60000113I78 H79 G91 I94 R95 M98V75-I78 PolarHBondContact O-N 3.46Å; V75-H79 WeakPolarHBondContact O-CB 3.44Å; V75-H79 PolarHBondContact O-N 2.93Å; V75-G91 WeakPolarHBondContact CG1-O 3.45Å; V75-I94 HydrophobicContact CG1-CB 4.22Å; V75-I94 HydrophobicContact CG1-CG2 4.08Å; V75-R95 HydrophobicContact CG2-CB 4.02Å; V75-R95 HydrophobicContact CG2-CG 4.31Å; V75-M98 HydrophobicContact CG2-SD 3.69Å
76R90.5Very high91.7Very high211 Ų21177 Ų7780%0.79639%0.392SS*.Hα-helixtrans-65.6-42.8179.4-170.6176.5176.3-176.4-1.7112G74 H79 M80G74-R76 PolarHBondContact O-N 2.87Å; G74-R76 VanDerWaalsContact O-N 3.08Å; R76-H79 PolarHBondContact O-N 2.94Å; R76-M80 VanDerWaalsContact O-CG 3.26Å; R76-M80 WeakPolarHBondContact O-CG 3.43Å; R76-M80 PolarHBondContact O-N 3.47Å
77G90.8Very high91.7Very high31 Ų3177.7 Ų77.732%0.3240%0.397SS..Hα-helixtrans-67.7-38.7177.800000112.7G74 R81G74-G77 WeakPolarHBondContact O-CA 3.34Å; G74-G77 PolarHBondContact O-N 3.14Å; G77-R81 WeakPolarHBondContact O-CB 3.46Å; G77-R81 PolarHBondContact O-N 3.32Å
78I94.2Very high91.8Very high0 Ų081 Ų810%041%0.41CS..Hα-helixtrans-62.3-49.3173.5-65.1172.5000110.1I62 A65 Y66 K73 G74 V75 M80 R81 L82 I94 M98I62-I78 HydrophobicContact CB-CG2 4.41Å; I62-I78 HydrophobicContact CG1-CG2 4.29Å; I62-I78 HydrophobicContact CG2-CD1 4.06Å; I62-I78 HydrophobicContact CG2-CG2 4.17Å; A65-I78 HydrophobicContact CB-CG2 4Å; Y66-I78 HydrophobicContact CD2-CD1 4.2Å; K73-I78 HydrophobicContact CB-CG1 3.92Å; K73-I78 WeakPolarHBondContact O-CD1 3.47Å; G74-I78 WeakPolarHBondContact O-CG1 3.22Å; G74-I78 PolarHBondContact O-N 3.37Å; V75-I78 PolarHBondContact O-N 3.46Å; I78-M80 PolarHBondContact O-N 2.93Å; I78-R81 PolarHBondContact O-N 3.04Å; I78-R81 VanDerWaalsContact O-N 3.15Å; I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.89Å; I78-I94 HydrophobicContact CB-CG2 4.23Å; I78-I94 HydrophobicContact CD1-CG2 4.42Å; I78-I94 HydrophobicContact CG2-CD1 4.3Å; I78-I94 HydrophobicContact CG2-CG2 3.82Å; I78-M98 HydrophobicContact CD1-CE 3.88Å; I78-M98 HydrophobicContact CD1-CG 4.48Å; I78-M98 HydrophobicContact CD1-SD 3.6Å; I78-M98 VanDerWaalsContact CD1-SD 3.6Å
79H96.3Very high91.9Very high55 Ų5577.7 Ų77.726%0.25540%0.395SS..Hα-helixtrans-56.1-48.5177.9179.969.2000112.1V75 R76 R81 L82 L83 M89 I94V75-H79 WeakPolarHBondContact O-CB 3.44Å; V75-H79 PolarHBondContact O-N 2.93Å; R76-H79 PolarHBondContact O-N 2.94Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 3.44Å; H79-L82 PolarHBondContact O-N 3.48Å; H79-L83 WeakPolarHBondContact O-CG 3.27Å; H79-L83 PolarHBondContact O-N 3.42Å; H79-M89 PolarHBondContact CE1-O 2.95Å; H79-M89 PolarHBondContact ND1-O 3.29Å; H79-I94 HydrophobicContact CB-CD1 3.67Å
80M94.5Very high92.1Very high93 Ų9373.7 Ų73.746%0.45839%0.388SS..Hα-helixtrans-61.5-40.5177.6-67.2-61.2-68.700111.8R76 I78 L83 H84R76-M80 VanDerWaalsContact O-CG 3.26Å; R76-M80 WeakPolarHBondContact O-CG 3.43Å; R76-M80 PolarHBondContact O-N 3.47Å; I78-M80 PolarHBondContact O-N 2.93Å; M80-L83 PolarHBondContact O-N 3.3Å; M80-L83 HydrophobicContact SD-CD1 4.42Å; M80-H84 PolarHBondContact O-N 2.97Å; M80-H84 PolarHBondContact O-ND1 2.78Å
81R94.5Very high92.4Very high71 Ų7171.2 Ų71.227%0.26836%0.362SS..Hα-helixtrans-64.4-45.3177.3175.957.4-177.8176.54.6111.8A65 F68 G77 I78 H79 L83 H84 T85A65-R81 HydrophobicContact CB-CB 4.01Å; A65-R81 HydrophobicContact CB-CG 3.69Å; F68-R81 VanDerWaalsContact CE2-CZ 3.45Å; G77-R81 WeakPolarHBondContact O-CB 3.46Å; G77-R81 PolarHBondContact O-N 3.32Å; I78-R81 PolarHBondContact O-N 3.04Å; I78-R81 VanDerWaalsContact O-N 3.15Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 3.44Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 3.01Å; R81-H84 PolarHBondContact O-N 2.9Å; R81-H84 VanDerWaalsContact O-N 3.11Å; R81-T85 PolarHBondContact O-N 2.82Å
82L96.3Very high92.8Very high3 Ų371.7 Ų71.72%0.01637%0.367CS..Hα-helixtrans-59.4-41.1177.4-69.8175.4000111.5Q61 I62 A65 I78 H79 H84 T85 G86 I87 M89 I94Q61-L82 HydrophobicContact CB-CD2 4.02Å; I62-L82 HydrophobicContact CG1-CD1 4.42Å; A65-L82 HydrophobicContact CB-CD2 4.03Å; A65-L82 HydrophobicContact CB-CG 4.14Å; I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.89Å; H79-L82 PolarHBondContact O-N 3.48Å; L82-H84 VanDerWaalsContact C-N 3.28Å; L82-H84 PolarHBondContact O-N 3.48Å; L82-T85 CarbonylContact O-C 3.11Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 2.85Å; L82-G86 PolarHBondContact O-N 3.42Å; L82-I87 CarbonylContact C-O 3.55Å; L82-I87 HydrophobicContact CB-CB 4.1Å; L82-I87 HydrophobicContact CB-CG2 4.31Å; L82-I87 HydrophobicContact CD2-CB 4.23Å; L82-I87 HydrophobicContact CD2-CD1 4.11Å; L82-I87 HydrophobicContact CD2-CG2 4.18Å; L82-I87 WeakPolarHBondContact O-CA 3.33Å; L82-I87 PolarHBondContact O-N 2.97Å; L82-I87 VanDerWaalsContact O-O 3.08Å; L82-M89 HydrophobicContact CD1-CB 4.03Å; L82-M89 HydrophobicContact CD1-CE 4.33Å; L82-M89 HydrophobicContact CD1-SD 4.34Å; L82-I94 HydrophobicContact CD1-CD1 4.01Å; L82-I94 HydrophobicContact CD1-CG1 4.38Å
83L94.7Very high93.3Very high71 Ų7174.1 Ų74.137%0.37237%0.374SS..Hα-helixtrans-58.8-39.6175.4-72.3176000112.6H79 M80 R81 T85 G86 I87 R88H79-L83 WeakPolarHBondContact O-CG 3.27Å; H79-L83 PolarHBondContact O-N 3.42Å; M80-L83 PolarHBondContact O-N 3.3Å; M80-L83 HydrophobicContact SD-CD1 4.42Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 3.01Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.78Å; L83-G86 PolarHBondContact O-N 2.71Å; L83-I87 PolarHBondContact N-O 2.88Å; L83-R88 HydrophobicContact CD2-CG 4.04Å
84H93.2Very high93.8Very high147 Ų14772.3 Ų72.368%0.68137%0.366SS*.Hα-helixtrans-75.6-12.1178.5-71.379.8000113.6M80 R81 L82M80-H84 PolarHBondContact O-N 2.97Å; M80-H84 PolarHBondContact O-ND1 2.78Å; R81-H84 PolarHBondContact O-N 2.9Å; R81-H84 VanDerWaalsContact O-N 3.11Å; L82-H84 VanDerWaalsContact C-N 3.28Å; L82-H84 PolarHBondContact O-N 3.48Å
85T90.6Very high94.2Very high61 Ų6177.7 Ų77.737%0.37438%0.377SS..THydrogen-bonded Turntrans-101.714.7171.461.90000111.9R81 L82 L83 I87R81-T85 PolarHBondContact O-N 2.82Å; L82-T85 CarbonylContact O-C 3.11Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 2.85Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.78Å; T85-I87 VanDerWaalsContact C-N 3.31Å; T85-I87 PolarHBondContact O-N 2.82Å
86G92.6Very high94.4Very high70 Ų7080.7 Ų80.772%0.72239%0.385SS*.THydrogen-bonded Turntrans79.75.5178.900000115L82 L83L82-G86 PolarHBondContact O-N 3.42Å; L83-G86 PolarHBondContact O-N 2.71Å
87I94.6Very high94.7Very high48 Ų4870.6 Ų70.625%0.24635%0.347CS..  trans-99.9117.4-174.3-58.6174.4000110.1Q61 L82 L83 T85Q61-I87 HydrophobicContact CB-CD1 4.31Å; Q61-I87 HydrophobicContact CG-CD1 4.11Å; Q61-I87 VanDerWaalsContact OE1-CG2 3.3Å; L82-I87 CarbonylContact C-O 3.55Å; L82-I87 HydrophobicContact CB-CB 4.1Å; L82-I87 HydrophobicContact CB-CG2 4.31Å; L82-I87 HydrophobicContact CD2-CB 4.23Å; L82-I87 HydrophobicContact CD2-CD1 4.11Å; L82-I87 HydrophobicContact CD2-CG2 4.18Å; L82-I87 WeakPolarHBondContact O-CA 3.33Å; L82-I87 PolarHBondContact O-N 2.97Å; L82-I87 VanDerWaalsContact O-O 3.08Å; L83-I87 PolarHBondContact N-O 2.88Å; T85-I87 VanDerWaalsContact C-N 3.31Å; T85-I87 PolarHBondContact O-N 2.82Å
88R94.8Very high94.9Very high230 Ų23069.8 Ų69.887%0.86834%0.335SS*.  trans-95.9105.1175.4-68.9-174.5177.4-173.80.6110.9L83L83-R88 HydrophobicContact CD2-CG 4.04Å
89M95.1Very high94.8Very high9 Ų978.4 Ų78.44%0.04437%0.372CS..  trans-128.2127.8176.6-163.8-176.2-63.700111.9D58 I62 H79 L82 G91 K93 I94 L97D58-M89 HydrophobicContact CB-CE 3.68Å; I62-M89 HydrophobicContact CD1-SD 3.74Å; I62-M89 HydrophobicContact CG1-CE 4.32Å; I62-M89 HydrophobicContact CG1-SD 3.94Å; H79-M89 PolarHBondContact CE1-O 2.95Å; H79-M89 PolarHBondContact ND1-O 3.29Å; L82-M89 HydrophobicContact CD1-CB 4.03Å; L82-M89 HydrophobicContact CD1-CE 4.33Å; L82-M89 HydrophobicContact CD1-SD 4.34Å; M89-G91 PolarHBondContact O-N 3.18Å; M89-K93 HydrophobicContact CG-CB 4.29Å; M89-K93 HydrophobicContact CG-CD 3.92Å; M89-K93 HydrophobicContact CG-CG 4.2Å; M89-K93 HydrophobicContact SD-CD 4.37Å; M89-K93 HydrophobicContact SD-CG 4.31Å; M89-I94 HydrophobicContact CB-CD1 4.28Å; M89-I94 HydrophobicContact CB-CG1 4.18Å; M89-I94 HydrophobicContact CG-CD1 4.48Å; M89-I94 HydrophobicContact CG-CG1 3.85Å; M89-I94 HydrophobicContact SD-CG1 3.56Å; M89-I94 VanDerWaalsContact SD-CG1 3.56Å; M89-L97 HydrophobicContact SD-CD1 4.34Å
90N95.2Very high94.5Very high104 Ų10479.9 Ų79.956%0.55638%0.378SS*.  trans-62.9135.1-180-172.9-43.5000111.4K92 K93 I94N90-K92 PolarHBondContact O-N 3Å; N90-K92 VanDerWaalsContact O-N 3.15Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3Å; N90-K93 HydrophobicContact CB-CB 4.37Å; N90-K93 WeakPolarHBondContact O-CA 3.45Å; N90-K93 WeakPolarHBondContact O-CB 3.28Å; N90-K93 PolarHBondContact O-N 2.68Å; N90-I94 PolarHBondContact O-N 3.14Å
91G93.1Very high94.4Very high19 Ų1979 Ų7920%0.19637%0.372CS..Hα-helixtrans-54.8-31.9176.600000114.7V75 M89 R95V75-G91 WeakPolarHBondContact CG1-O 3.45Å; M89-G91 PolarHBondContact O-N 3.18Å; G91-R95 WeakPolarHBondContact O-CB 3.1Å; G91-R95 PolarHBondContact O-N 3.29Å
92K95.5Very high94.1Very high162 Ų16278.4 Ų78.470%0.70439%0.388SS*.Hα-helixtrans-64.4-41172.2-67-176.2180179.60111.7N90 R96N90-K92 PolarHBondContact O-N 3Å; N90-K92 VanDerWaalsContact O-N 3.15Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3Å; K92-R96 WeakPolarHBondContact O-CB 3.41Å; K92-R96 PolarHBondContact O-N 2.96Å
93K96.3Very high93.8Very high71 Ų7179.5 Ų79.531%0.30939%0.393SS..Hα-helixtrans-66.8-46.4176.7-176.7175.7176.3-175.40110.9D58 M89 N90 R95 R96 L97D58-K93 IonicContact OD1-NZ 2.58Å; D58-K93 WeakPolarHBondContact OD2-CE 3.3Å; D58-K93 IonicContact OD2-NZ 3.2Å; D58-K93 PolarHBondContact OD2-NZ 2.95Å; M89-K93 HydrophobicContact CG-CB 4.29Å; M89-K93 HydrophobicContact CG-CD 3.92Å; M89-K93 HydrophobicContact CG-CG 4.2Å; M89-K93 HydrophobicContact SD-CD 4.37Å; M89-K93 HydrophobicContact SD-CG 4.31Å; N90-K93 HydrophobicContact CB-CB 4.37Å; N90-K93 WeakPolarHBondContact O-CA 3.45Å; N90-K93 WeakPolarHBondContact O-CB 3.28Å; N90-K93 PolarHBondContact O-N 2.68Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.32Å; K93-R96 WeakPolarHBondContact O-CB 3.49Å; K93-R96 PolarHBondContact O-N 2.72Å; K93-R96 VanDerWaalsContact O-N 3.17Å; K93-L97 HydrophobicContact CG-CD1 4.12Å; K93-L97 HydrophobicContact CG-CG 4.46Å; K93-L97 WeakPolarHBondContact O-CG 3.41Å; K93-L97 PolarHBondContact O-N 3.36Å
94I96.9Very high93.4Very high0 Ų081.4 Ų81.40%041%0.408CS..Hα-helixtrans-54.8-50.8175.5-63.7168000110.3I62 V75 I78 H79 L82 M89 N90 R96 L97 M98I62-I94 HydrophobicContact CD1-CB 4.27Å; I62-I94 HydrophobicContact CD1-CG1 4.28Å; I62-I94 HydrophobicContact CD1-CG2 4.15Å; I62-I94 HydrophobicContact CG1-CG1 4.41Å; I62-I94 HydrophobicContact CG1-CG2 4.31Å; V75-I94 HydrophobicContact CG1-CB 4.22Å; V75-I94 HydrophobicContact CG1-CG2 4.08Å; I78-I94 HydrophobicContact CB-CG2 4.23Å; I78-I94 HydrophobicContact CD1-CG2 4.42Å; I78-I94 HydrophobicContact CG2-CD1 4.3Å; I78-I94 HydrophobicContact CG2-CG2 3.82Å; H79-I94 HydrophobicContact CB-CD1 3.67Å; L82-I94 HydrophobicContact CD1-CD1 4.01Å; L82-I94 HydrophobicContact CD1-CG1 4.38Å; M89-I94 HydrophobicContact CB-CD1 4.28Å; M89-I94 HydrophobicContact CB-CG1 4.18Å; M89-I94 HydrophobicContact CG-CD1 4.48Å; M89-I94 HydrophobicContact CG-CG1 3.85Å; M89-I94 HydrophobicContact SD-CG1 3.56Å; M89-I94 VanDerWaalsContact SD-CG1 3.56Å; N90-I94 PolarHBondContact O-N 3.14Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.41Å; I94-L97 PolarHBondContact O-N 2.75Å; I94-M98 HydrophobicContact CG2-CG 4.28Å; I94-M98 HydrophobicContact CG2-SD 3.96Å; I94-M98 WeakPolarHBondContact O-CB 3.32Å; I94-M98 VanDerWaalsContact O-CG 3.28Å; I94-M98 WeakPolarHBondContact O-CG 3.16Å; I94-M98 PolarHBondContact O-N 3.2Å
95R96.3Very high92.9Very high145 Ų14575.9 Ų75.955%0.54739%0.385SS..Hα-helixtrans-59.3-43.5178.5-171.5-178.1-60.9118.41.5112.6V75 G91 K93 K99V75-R95 HydrophobicContact CG2-CB 4.02Å; V75-R95 HydrophobicContact CG2-CG 4.31Å; G91-R95 WeakPolarHBondContact O-CB 3.1Å; G91-R95 PolarHBondContact O-N 3.29Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.32Å; R95-K99 PolarHBondContact O-N 3.32Å
96R96.8Very high92.1Very high93 Ų9376.2 Ų76.235%0.35139%0.388SS..Hα-helixtrans-60.3-47.5177.8-178.1-172.965.598.32.8111D55 K92 K93 I94 K99 K100D55-R96 IonicContact OD1-CZ 3.53Å; D55-R96 IonicContact OD1-NH1 3.48Å; D55-R96 PolarHBondContact OD1-NH1 2.99Å; D55-R96 IonicContact OD1-NH2 2.68Å; D55-R96 PolarHBondContact OD1-NH2 3.21Å; D55-R96 IonicContact OD2-CZ 3.5Å; D55-R96 IonicContact OD2-NH1 2.74Å; D55-R96 PolarHBondContact OD2-NH1 2.89Å; D55-R96 IonicContact OD2-NH2 3.42Å; D55-R96 PolarHBondContact OD2-NH2 2.81Å; K92-R96 WeakPolarHBondContact O-CB 3.41Å; K92-R96 PolarHBondContact O-N 2.96Å; K93-R96 WeakPolarHBondContact O-CB 3.49Å; K93-R96 PolarHBondContact O-N 2.72Å; K93-R96 VanDerWaalsContact O-N 3.17Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.41Å; R96-K99 PolarHBondContact O-N 2.94Å; R96-K100 WeakPolarHBondContact O-CB 3.49Å; R96-K100 PolarHBondContact O-N 3.18Å
97L96.6Very high91Very high0 Ų077.5 Ų77.50%038%0.378CS..Hα-helixtrans-68-42.7-179.6-66.8178.8000111.8D55 D58 F59 I62 M89 K93 I94 K99 K100 F101D55-L97 HydrophobicContact CB-CD2 3.6Å; D55-L97 VanDerWaalsContact CG-CD2 3.44Å; D58-L97 HydrophobicContact CB-CD1 3.5Å; D58-L97 VanDerWaalsContact CB-CD1 3.5Å; F59-L97 HydrophobicContact CD2-CB 4.38Å; I62-L97 HydrophobicContact CD1-CB 3.65Å; I62-L97 HydrophobicContact CD1-CD1 3.68Å; I62-L97 HydrophobicContact CD1-CG 4.27Å; M89-L97 HydrophobicContact SD-CD1 4.34Å; K93-L97 HydrophobicContact CG-CD1 4.12Å; K93-L97 HydrophobicContact CG-CG 4.46Å; K93-L97 WeakPolarHBondContact O-CG 3.41Å; K93-L97 PolarHBondContact O-N 3.36Å; I94-L97 PolarHBondContact O-N 2.75Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 3.49Å; L97-K100 PolarHBondContact O-N 2.8Å; L97-F101 HydrophobicContact CD2-CE2 4.17Å; L97-F101 WeakPolarHBondContact O-CD2 3.3Å; L97-F101 PolarHBondContact O-N 2.94Å
98M94.7Very high89.4Confident14 Ų1486.5 Ų86.57%0.06941%0.409CS..Hα-helixtrans-54.3-46.4172.3-73.1-178.876.900111.8I62 V75 I78 I94 G102 L103I62-M98 HydrophobicContact CG2-CG 3.94Å; V75-M98 HydrophobicContact CG2-SD 3.69Å; I78-M98 HydrophobicContact CD1-CE 3.88Å; I78-M98 HydrophobicContact CD1-CG 4.48Å; I78-M98 HydrophobicContact CD1-SD 3.6Å; I78-M98 VanDerWaalsContact CD1-SD 3.6Å; I94-M98 HydrophobicContact CG2-CG 4.28Å; I94-M98 HydrophobicContact CG2-SD 3.96Å; I94-M98 WeakPolarHBondContact O-CB 3.32Å; I94-M98 VanDerWaalsContact O-CG 3.28Å; I94-M98 WeakPolarHBondContact O-CG 3.16Å; I94-M98 PolarHBondContact O-N 3.2Å; M98-G102 CarbonylContact O-C 3.53Å; M98-G102 PolarHBondContact O-N 3.16Å; M98-L103 HydrophobicContact CB-CB 4.33Å; M98-L103 HydrophobicContact CE-CD2 4.35Å; M98-L103 HydrophobicContact CE-CG 4.28Å; M98-L103 WeakPolarHBondContact CE-O 3.29Å; M98-L103 HydrophobicContact CG-CB 4.4Å; M98-L103 HydrophobicContact CG-CD2 4.28Å; M98-L103 PolarHBondContact O-N 2.91Å
99K92.7Very high87.7Confident181 Ų18183.7 Ų83.779%0.78740%0.403SS*.Hα-helixtrans-64.3-46.4177.1-173.7-177.8178.1-173.30111.8R95 R96 L97 F101 G102R95-K99 PolarHBondContact O-N 3.32Å; R96-K99 PolarHBondContact O-N 2.94Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 3.49Å; K99-F101 VanDerWaalsContact C-N 3.31Å; K99-F101 PolarHBondContact O-N 3.39Å; K99-G102 PolarHBondContact O-N 3.42Å
100K90.5Very high85.8Confident85 Ų8586.3 Ų86.337%0.3743%0.426SS..Hα-helixtrans-57.8-42.3-178.4-172.5-175.1-172.3-170.60112.2E52 D55 R96 L97E52-K100 WeakPolarHBondContact OE1-CE 3.37Å; E52-K100 IonicContact OE1-NZ 2.66Å; E52-K100 PolarHBondContact OE1-NZ 3Å; E52-K100 IonicContact OE2-NZ 2.63Å; E52-K100 PolarHBondContact OE2-NZ 3.43Å; D55-K100 IonicContact OD2-NZ 2.84Å; D55-K100 PolarHBondContact OD2-NZ 3.36Å; R96-K100 WeakPolarHBondContact O-CB 3.49Å; R96-K100 PolarHBondContact O-N 3.18Å; L97-K100 PolarHBondContact O-N 2.8Å
101F92Very high84.1Confident75 Ų7585.6 Ų85.633%0.32942%0.422SS..THydrogen-bonded Turntrans-100.514.9-178.1-66.5-79.5000113.5D55 A56 F59 L97 K99 L103D55-F101 HydrophobicContact CB-CE2 4.39Å; A56-F101 HydrophobicContact CB-CZ 4.23Å; F59-F101 HydrophobicContact CB-CD2 3.6Å; F59-F101 HydrophobicContact CB-CE2 3.61Å; F59-F101 HydrophobicContact CB-CG 4.3Å; F59-F101 HydrophobicContact CB-CZ 4.33Å; F59-F101 HydrophobicContact CD1-CB 3.83Å; F59-F101 HydrophobicContact CD1-CD1 4.07Å; F59-F101 AromaticContact CD1-CD2 3.85Å; F59-F101 HydrophobicContact CD1-CD2 3.85Å; F59-F101 HydrophobicContact CD1-CE2 4.42Å; F59-F101 AromaticContact CD1-CG 3.66Å; F59-F101 HydrophobicContact CD1-CG 3.66Å; F59-F101 HydrophobicContact CD2-CB 3.77Å; F59-F101 AromaticContact CD2-CD2 3.56Å; F59-F101 HydrophobicContact CD2-CD2 3.56Å; F59-F101 HydrophobicContact CD2-CE2 4.44Å; F59-F101 AromaticContact CD2-CG 3.91Å; F59-F101 HydrophobicContact CD2-CG 3.91Å; F59-F101 HydrophobicContact CE1-CB 3.53Å; F59-F101 HydrophobicContact CE1-CD1 4.35Å; F59-F101 HydrophobicContact CE1-CD2 4.44Å; F59-F101 AromaticContact CE1-CG 3.89Å; F59-F101 HydrophobicContact CE1-CG 3.89Å; F59-F101 HydrophobicContact CE2-CB 3.47Å; F59-F101 VanDerWaalsContact CE2-CB 3.47Å; F59-F101 HydrophobicContact CE2-CD2 4.2Å; F59-F101 HydrophobicContact CE2-CG 4.14Å; F59-F101 HydrophobicContact CG-CB 3.94Å; F59-F101 HydrophobicContact CG-CD1 4.42Å; F59-F101 AromaticContact CG-CD2 3.35Å; F59-F101 HydrophobicContact CG-CD2 3.35Å; F59-F101 AromaticContact CG-CE2 3.91Å; F59-F101 HydrophobicContact CG-CE2 3.91Å; F59-F101 AromaticContact CG-CG 3.66Å; F59-F101 HydrophobicContact CG-CG 3.66Å; F59-F101 HydrophobicContact CZ-CB 3.34Å; F59-F101 HydrophobicContact CZ-CG 4.12Å; L97-F101 HydrophobicContact CD2-CE2 4.17Å; L97-F101 WeakPolarHBondContact O-CD2 3.3Å; L97-F101 PolarHBondContact O-N 2.94Å; K99-F101 VanDerWaalsContact C-N 3.31Å; K99-F101 PolarHBondContact O-N 3.39Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.19Å
102G88.5Confident82.4Confident58 Ų5889.5 Ų89.560%0.59844%0.444SS*.THydrogen-bonded Turntrans67.718.1173.500000116.2M98 K99 V104M98-G102 CarbonylContact O-C 3.53Å; M98-G102 PolarHBondContact O-N 3.16Å; K99-G102 PolarHBondContact O-N 3.42Å; G102-V104 PolarHBondContact O-N 2.85Å
103L90.2Very high80.5Confident26 Ų2685.3 Ų85.314%0.13642%0.424CS..  trans-80.2113.5179.5-168.466.7000111.2F59 I62 L63 Y66 M98 F101F59-L103 HydrophobicContact CE2-CB 3.8Å; F59-L103 HydrophobicContact CE2-CD2 3.92Å; F59-L103 HydrophobicContact CE2-CG 4.47Å; F59-L103 HydrophobicContact CZ-CB 3.93Å; F59-L103 HydrophobicContact CZ-CD2 4.2Å; I62-L103 HydrophobicContact CG2-CD2 3.96Å; L63-L103 HydrophobicContact CD1-CD1 4.01Å; L63-L103 HydrophobicContact CD1-CD2 4.33Å; Y66-L103 HydrophobicContact CD1-CD1 3.8Å; Y66-L103 HydrophobicContact CD1-CD2 4.19Å; Y66-L103 HydrophobicContact CD1-CG 4.38Å; Y66-L103 HydrophobicContact CD2-CD2 4.14Å; Y66-L103 HydrophobicContact CD2-CG 4.36Å; Y66-L103 HydrophobicContact CE1-CD1 3.75Å; Y66-L103 HydrophobicContact CG-CD1 4.23Å; Y66-L103 HydrophobicContact CG-CD2 3.83Å; Y66-L103 HydrophobicContact CG-CG 4.31Å; M98-L103 HydrophobicContact CB-CB 4.33Å; M98-L103 HydrophobicContact CE-CD2 4.35Å; M98-L103 HydrophobicContact CE-CG 4.28Å; M98-L103 WeakPolarHBondContact CE-O 3.29Å; M98-L103 HydrophobicContact CG-CB 4.4Å; M98-L103 HydrophobicContact CG-CD2 4.28Å; M98-L103 PolarHBondContact O-N 2.91Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.19Å
104V85.5Confident78.6Confident112 Ų11291.1 Ų91.168%0.67944%0.444SS*.  trans-117.9130.2-179.2-177.30000110.4Y66 G102 P106Y66-V104 PolarHBondContact OH-O 3.08Å; G102-V104 PolarHBondContact O-N 2.85Å; V104-P106 WeakPolarHBondContact O-CD 3.48Å
105C82.9Confident76.7Confident31 Ų31100 Ų10021%0.20948%0.477CS..  trans-83.3120.9173.3-176.70000110.2Y66 G74 I107Y66-C105 HydrophobicContact CE2-CB 4.23Å; G74-C105 PolarHBondContact N-SG 3.48Å; C105-I107 VanDerWaalsContact C-N 3.3Å; C105-I107 PolarHBondContact O-N 3.43Å
106P74.2Confident74.8Confident67 Ų6797.3 Ų97.344%0.43547%0.472SS..  trans-79.9-10.5-17932.4-35.8000113.4Y66 A72 V104 K109Y66-P106 WeakPolarHBondContact OH-CD 3.45Å; A72-P106 HydrophobicContact CB-CG 4.32Å; V104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-K109 PolarHBondContact O-N 3.15Å
107I69Low72.7Confident97 Ų9796.4 Ų96.450%0.49747%0.472SS..THydrogen-bonded Turntrans-72.9135.4-173.5-59.8-178.9000110.6A72 C105 K109A72-I107 HydrophobicContact CB-CD1 4.12Å; A72-I107 HydrophobicContact CB-CG1 4.33Å; A72-I107 WeakPolarHBondContact O-CD1 3.37Å; C105-I107 VanDerWaalsContact C-N 3.3Å; C105-I107 PolarHBondContact O-N 3.43Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 2.97Å
108R60.2Low70.8Confident238 Ų238104 Ų10490%0.89851%0.505SS*.THydrogen-bonded Turntrans52.148.2-174.8-64.3177.2-176-176.50.4111.5A110R108-A110 PolarHBondContact O-N 2.87Å; R108-A110 VanDerWaalsContact O-N 3.12Å
109K59.5Low68.8Low171 Ų171107.6 Ų107.674%0.74354%0.537SS*.  trans-44.5127.8157.5-81-178.4-176.1-178.90106.8P106 I107 N111P106-K109 PolarHBondContact O-N 3.15Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 2.97Å; K109-N111 PolarHBondContact O-N 3.18Å
110A55.6Low66.9Low64 Ų64102.7 Ų102.753%0.52952%0.518SS..  trans-52.5121.1173.100000106.5R108 P112R108-A110 PolarHBondContact O-N 2.87Å; R108-A110 VanDerWaalsContact O-N 3.12Å; A110-P112 VanDerWaalsContact O-CD 3.27Å; A110-P112 WeakPolarHBondContact O-CD 3.38Å
111N58.1Low64.9Low89 Ų89106.1 Ų106.148%0.47653%0.529SS..  trans-52.9117.5178.5-178.9-14.9000106.8K109 Y113 R114 R115K109-N111 PolarHBondContact O-N 3.18Å; N111-Y113 PolarHBondContact O-N 2.98Å; N111-Y113 WeakPolarHBondContact OD1-CB 3.33Å; N111-Y113 PolarHBondContact OD1-N 2.88Å; N111-R114 HydrophobicContact CB-CB 4.43Å; N111-R114 PolarHBondContact O-N 3.36Å; N111-R115 PolarHBondContact O-N 2.89Å
112P57.9Low63Low100 Ų100104.5 Ų104.565%0.64953%0.525SS*.Hα-helixtrans-49.9-35.8-179.1-26.533.9000111.4A110 R115 M116A110-P112 VanDerWaalsContact O-CD 3.27Å; A110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-R115 CarbonylContact O-C 3.51Å; P112-R115 WeakPolarHBondContact O-CA 3.27Å; P112-R115 VanDerWaalsContact O-CB 3.27Å; P112-R115 WeakPolarHBondContact O-CB 3.24Å; P112-R115 PolarHBondContact O-N 2.99Å; P112-M116 WeakPolarHBondContact O-CB 3.47Å; P112-M116 PolarHBondContact O-N 2.89Å
113Y56.8Low61.6Low75 Ų75107.4 Ų107.429%0.29453%0.527SS..Hα-helixtrans-58.8-48.1175.7-173.9-105.3000113.3N111 R115 M116 Q117N111-Y113 PolarHBondContact O-N 2.98Å; N111-Y113 WeakPolarHBondContact OD1-CB 3.33Å; N111-Y113 PolarHBondContact OD1-N 2.88Å; Y113-R115 PolarHBondContact O-N 3.09Å; Y113-M116 HydrophobicContact CD2-CE 4.1Å; Y113-M116 HydrophobicContact CE2-CE 4.41Å; Y113-M116 PolarHBondContact O-N 3.38Å; Y113-Q117 HydrophobicContact CD1-CG 4.34Å; Y113-Q117 VanDerWaalsContact CE1-CD 3.43Å; Y113-Q117 HydrophobicContact CE1-CG 4.02Å; Y113-Q117 WeakPolarHBondContact O-CB 3.37Å; Y113-Q117 WeakPolarHBondContact O-CG 3.25Å; Y113-Q117 PolarHBondContact O-N 3.28Å; Y113-Q117 PolarHBondContact OH-NE2 2.85Å
114R56.5Low60.7Low192 Ų192109.3 Ų109.373%0.72554%0.537SS*.Hα-helixtrans-62-30.5174.5-88.1-171.8179.9178.61.3112.1N111 K118N111-R114 HydrophobicContact CB-CB 4.43Å; N111-R114 PolarHBondContact O-N 3.36Å; R114-K118 WeakPolarHBondContact O-CB 3.13Å; R114-K118 PolarHBondContact O-N 2.84Å
115R56.5Low60.3Low187 Ų187107.5 Ų107.571%0.70653%0.527SS*.Hα-helixtrans-73.3-44.5177.5-127.4179.5-173.3174.3-0.3111N111 P112 Y113 K118 A119N111-R115 PolarHBondContact O-N 2.89Å; P112-R115 CarbonylContact O-C 3.51Å; P112-R115 WeakPolarHBondContact O-CA 3.27Å; P112-R115 VanDerWaalsContact O-CB 3.27Å; P112-R115 WeakPolarHBondContact O-CB 3.24Å; P112-R115 PolarHBondContact O-N 2.99Å; Y113-R115 PolarHBondContact O-N 3.09Å; R115-K118 PolarHBondContact O-N 3.5Å; R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 2.9Å
116M55.2Low60.1Low89 Ų89107.1 Ų107.144%0.43853%0.526SS..Hα-helixtrans-62.2-48175.5-171.7172.374.100111.1P112 Y113 K118 A119 I120P112-M116 WeakPolarHBondContact O-CB 3.47Å; P112-M116 PolarHBondContact O-N 2.89Å; Y113-M116 HydrophobicContact CD2-CE 4.1Å; Y113-M116 HydrophobicContact CE2-CE 4.41Å; Y113-M116 PolarHBondContact O-N 3.38Å; M116-K118 PolarHBondContact O-N 3.49Å; M116-A119 PolarHBondContact O-N 2.86Å; M116-I120 HydrophobicContact CG-CD1 3.52Å; M116-I120 HydrophobicContact CG-CG1 4.27Å; M116-I120 WeakPolarHBondContact O-CB 3.48Å; M116-I120 WeakPolarHBondContact O-CG1 3.43Å; M116-I120 PolarHBondContact O-N 2.76Å; M116-I120 HydrophobicContact SD-CD1 4.38Å
117Q54.6Low60.7Low73 Ų73111.5 Ų111.534%0.34154%0.54SS..Hα-helixtrans-55.3-38172.4-77.1-172.5-20.100112.8Y113 R121Y113-Q117 HydrophobicContact CD1-CG 4.34Å; Y113-Q117 VanDerWaalsContact CE1-CD 3.43Å; Y113-Q117 HydrophobicContact CE1-CG 4.02Å; Y113-Q117 WeakPolarHBondContact O-CB 3.37Å; Y113-Q117 WeakPolarHBondContact O-CG 3.25Å; Y113-Q117 PolarHBondContact O-N 3.28Å; Y113-Q117 PolarHBondContact OH-NE2 2.85Å; Q117-R121 WeakPolarHBondContact O-CB 3.42Å; Q117-R121 PolarHBondContact O-N 2.88Å
118K55.5Low61.5Low161 Ų161108.6 Ų108.670%0.753%0.526SS*.Hα-helixtrans-74.2-32.3177.8-167.9175.5-179.2-179.10112.6R114 R115 M116 R121R114-K118 WeakPolarHBondContact O-CB 3.13Å; R114-K118 PolarHBondContact O-N 2.84Å; R115-K118 PolarHBondContact O-N 3.5Å; M116-K118 PolarHBondContact O-N 3.49Å; K118-R121 WeakPolarHBondContact O-CB 3.05Å
119A53.2Low62.7Low88 Ų88100 Ų10073%0.72750%0.498SS*.Hα-helixtrans-78.2-37.617900000112.5R115 M116 R121R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 2.9Å; M116-A119 PolarHBondContact O-N 2.86Å; A119-R121 PolarHBondContact O-N 2.9Å
120I52.1Low63.8Low79 Ų7992 Ų9241%0.40546%0.463SS..SBendtrans-80.5-4.4176.6-59.1174.4000111.4M116 T122 C211M116-I120 HydrophobicContact CG-CD1 3.52Å; M116-I120 HydrophobicContact CG-CG1 4.27Å; M116-I120 WeakPolarHBondContact O-CB 3.48Å; M116-I120 WeakPolarHBondContact O-CG1 3.43Å; M116-I120 PolarHBondContact O-N 2.76Å; M116-I120 HydrophobicContact SD-CD1 4.38Å; I120-T122 VanDerWaalsContact C-N 3.34Å; I120-T122 PolarHBondContact O-N 2.83Å; I120-T122 PolarHBondContact O-OG1 3.27Å; I120-C211 HydrophobicContact CG2-CB 4.25Å
121R48.1Very low65.1Low156 Ų15696.3 Ų96.359%0.58947%0.47SS*.  trans-53.992.9-173.3-167.4-172.3133.2-174.7-4.1111.7Q117 K118 A119 N123Q117-R121 WeakPolarHBondContact O-CB 3.42Å; Q117-R121 PolarHBondContact O-N 2.88Å; K118-R121 WeakPolarHBondContact O-CB 3.05Å; A119-R121 PolarHBondContact O-N 2.9Å; R121-N123 PolarHBondContact NE-OD1 2.66Å; R121-N123 PolarHBondContact NH2-OD1 3.15Å; R121-N123 VanDerWaalsContact NH2-OD1 3.11Å
122T54Low66.2Low42 Ų4297.9 Ų97.926%0.25847%0.469SS..  trans-86.7127.5164.515.90000105.6I120 N124 T214I120-T122 VanDerWaalsContact C-N 3.34Å; I120-T122 PolarHBondContact O-N 2.83Å; I120-T122 PolarHBondContact O-OG1 3.27Å; T122-N124 PolarHBondContact O-N 2.98Å; T122-T214 PolarHBondContact OG1-O 3.28Å
123N58.4Low67.6Low119 Ų11997.6 Ų97.664%0.63646%0.459SS*.  trans-7224.3174.6-81.4-6.8000111.6R121 T125R121-N123 PolarHBondContact NE-OD1 2.66Å; R121-N123 PolarHBondContact NH2-OD1 3.15Å; R121-N123 VanDerWaalsContact NH2-OD1 3.11Å; N123-T125 PolarHBondContact O-N 3.34Å
124N70.5Confident69Low65 Ų6595.1 Ų95.135%0.34845%0.45SS..  trans-88.563.1-174-59-17.7000110T122 I219T122-N124 PolarHBondContact O-N 2.98Å; N124-I219 HydrophobicContact CB-CD1 3.34Å
125T77.2Confident70.5Confident75 Ų7591.1 Ų91.146%0.4644%0.44SS..PPolyproline II helixtrans-88.2136172.8540000109.7N123 Q209N123-T125 PolarHBondContact O-N 3.34Å; T125-Q209 HydrophobicContact CG2-CG 4.37Å
126A79.9Confident71.7Confident23 Ų2387.7 Ų87.719%0.1943%0.433CS..PPolyproline II helixtrans-89.416017000000111.1Q229 M231A126-Q229 HydrophobicContact CB-CB 4.21Å; A126-Q229 HydrophobicContact CB-CG 3.96Å; A126-M231 HydrophobicContact CB-CE 4.43Å; A126-M231 HydrophobicContact CB-CG 4.08Å; A126-M231 HydrophobicContact CB-SD 4.37Å; A126-M231 PolarHBondContact N-SD 3.2Å; A126-M231 VanDerWaalsContact N-SD 3.43Å
127E86Confident73.3Confident158 Ų15889.5 Ų89.574%0.73844%0.44SS*.PPolyproline II helixtrans-70.2151.7175.2-64-175.116500111.9L129 S230 M231E127-L129 HydrophobicContact CB-CD2 4.46Å; E127-L129 PolarHBondContact O-N 3.25Å; E127-S230 WeakPolarHBondContact O-CA 3.35Å; E127-S230 PolarHBondContact O-OG 3.3Å; E127-M231 PolarHBondContact O-N 3.06Å
128N86.7Confident75.1Confident37 Ų3786.9 Ų86.920%0.19843%0.432CS..  trans-80.7100.6171.8-171.2-13.4000109.3V130 K131 S230 M231 D239N128-V130 PolarHBondContact OD1-N 3.07Å; N128-V130 VanDerWaalsContact OD1-N 3.14Å; N128-K131 PolarHBondContact OD1-N 3.32Å; N128-S230 WeakPolarHBondContact CA-OG 3.4Å; N128-M231 WeakPolarHBondContact CA-O 3.17Å; N128-M231 VanDerWaalsContact CB-O 3.27Å; N128-M231 WeakPolarHBondContact CB-O 3.3Å; N128-D239 PolarHBondContact ND2-OD2 3.15Å; N128-D239 VanDerWaalsContact ND2-OD2 3.14Å
129L84.6Confident77Confident57 Ų5780.8 Ų80.830%0.29841%0.409SS..  trans-88.2-24.9179.4-59.3178.5000111.9E127 I204 R228 S230E127-L129 HydrophobicContact CB-CD2 4.46Å; E127-L129 PolarHBondContact O-N 3.25Å; L129-I204 HydrophobicContact CB-CD1 3.87Å; L129-I204 HydrophobicContact CD1-CD1 4.39Å; L129-I204 HydrophobicContact CD1-CG1 4.39Å; L129-R228 HydrophobicContact CD1-CB 4.49Å; L129-S230 PolarHBondContact N-OG 3.22Å
130V83.2Confident79.1Confident4 Ų477 Ų772%0.02438%0.376CS..  trans-78.8-38.5-172.7179.90000111.7N128 R132 E133 F134 V142 I204 H206N128-V130 PolarHBondContact OD1-N 3.07Å; N128-V130 VanDerWaalsContact OD1-N 3.14Å; V130-R132 PolarHBondContact O-N 3.14Å; V130-E133 WeakPolarHBondContact O-CB 3.46Å; V130-E133 PolarHBondContact O-N 3.11Å; V130-F134 HydrophobicContact CG1-CD1 3.51Å; V130-F134 HydrophobicContact CG1-CE1 3.66Å; V130-F134 HydrophobicContact CG1-CG 4.35Å; V130-V142 HydrophobicContact CB-CG1 4.46Å; V130-V142 HydrophobicContact CG1-CG1 3.9Å; V130-V142 HydrophobicContact CG2-CG1 3.64Å; V130-V142 HydrophobicContact CG2-CG2 4.36Å; V130-I204 HydrophobicContact CG2-CG2 3.9Å; V130-H206 HydrophobicContact CG2-CB 3.74Å; V130-H206 WeakPolarHBondContact CG2-ND1 3.31Å
131K83Confident81.1Confident154 Ų15474.2 Ų74.267%0.6736%0.364SS*.THydrogen-bonded Turntrans48.232.7178.9-59.9179.9-177.5172.60114.3N128 E133N128-K131 PolarHBondContact OD1-N 3.32Å; K131-E133 PolarHBondContact O-N 2.86Å
132R80.9Confident83.4Confident122 Ų12266.9 Ų66.946%0.4634%0.337SS..THydrogen-bonded Turntrans69.78.7-177.1-50.1176.4-177.6175.4-3.2115.6V130 F134 N236 W238 D239V130-R132 PolarHBondContact O-N 3.14Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 HydrophobicContact CB-CE2 4.17Å; R132-F134 HydrophobicContact CB-CZ 4.46Å; R132-F134 WeakPolarHBondContact O-CD2 3.49Å; R132-F134 PolarHBondContact O-N 3.28Å; R132-N236 PolarHBondContact NH2-OD1 3.21Å; R132-W238 VanDerWaalsContact NH2-CB 3.29Å; R132-D239 WeakPolarHBondContact CG-OD1 3.47Å; R132-D239 IonicContact CZ-OD1 3.08Å; R132-D239 IonicContact NE-OD1 3.61Å; R132-D239 PolarHBondContact NE-OD1 2.98Å; R132-D239 VanDerWaalsContact NE-OD1 3.08Å
133E86.6Confident85.5Confident93 Ų9364.9 Ų64.944%0.43532%0.324SS..  trans-89.668.3174.2-63175.2173.800109.4V130 K131 E135 M136V130-E133 WeakPolarHBondContact O-CB 3.46Å; V130-E133 PolarHBondContact O-N 3.11Å; K131-E133 PolarHBondContact O-N 2.86Å; E133-E135 VanDerWaalsContact C-N 3.32Å; E133-E135 PolarHBondContact O-N 3.34Å; E133-M136 HydrophobicContact CB-CB 4.12Å; E133-M136 HydrophobicContact CB-CE 4.06Å; E133-M136 HydrophobicContact CG-CE 3.7Å; E133-M136 WeakPolarHBondContact OE1-CE 3.49Å; E133-M136 WeakPolarHBondContact OE2-CE 3.48Å; E133-M136 VanDerWaalsContact OE2-SD 3.4Å
134F86.2Confident87.3Confident23 Ų2359.2 Ų59.210%0.10129%0.294CS..SBendtrans-70.6-26.7-174-55.8-70.4000113.8V130 R132 V142 L144 G165 D239 P242V130-F134 HydrophobicContact CG1-CD1 3.51Å; V130-F134 HydrophobicContact CG1-CE1 3.66Å; V130-F134 HydrophobicContact CG1-CG 4.35Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 HydrophobicContact CB-CE2 4.17Å; R132-F134 HydrophobicContact CB-CZ 4.46Å; R132-F134 WeakPolarHBondContact O-CD2 3.49Å; R132-F134 PolarHBondContact O-N 3.28Å; F134-V142 HydrophobicContact CD1-CG1 4.36Å; F134-L144 HydrophobicContact CD1-CD1 3.94Å; F134-L144 HydrophobicContact CD1-CD2 3.73Å; F134-L144 HydrophobicContact CD1-CG 4.32Å; F134-L144 HydrophobicContact CE1-CD1 4.23Å; F134-L144 HydrophobicContact CE1-CD2 3.65Å; F134-G165 CarbonylContact O-C 3.58Å; F134-D239 WeakPolarHBondContact CE1-O 3.49Å; F134-D239 VanDerWaalsContact CZ-O 3.27Å; F134-D239 WeakPolarHBondContact CZ-O 3.26Å; F134-P242 HydrophobicContact CD1-CG 4.4Å; F134-P242 HydrophobicContact CD2-CG 3.78Å; F134-P242 HydrophobicContact CE2-CG 3.94Å; F134-P242 HydrophobicContact CG-CG 4.02Å; F134-P242 HydrophobicContact CZ-CG 4.32Å
135E87.4Confident88.5Confident109 Ų10956.1 Ų56.151%0.50928%0.277SS..SBendtrans-110.5-14.8-167.7-51.6-176.8-178.400112.7E133 H137 G138 G165 K168E133-E135 VanDerWaalsContact C-N 3.32Å; E133-E135 PolarHBondContact O-N 3.34Å; E135-H137 VanDerWaalsContact C-N 3.25Å; E135-H137 PolarHBondContact O-N 2.88Å; E135-H137 VanDerWaalsContact O-N 3.1Å; E135-G138 PolarHBondContact O-N 3.15Å; E135-G138 VanDerWaalsContact O-N 3.1Å; E135-G165 WeakPolarHBondContact CG-O 3.41Å; E135-K168 WeakPolarHBondContact OE1-CE 3.43Å; E135-K168 IonicContact OE1-NZ 2.69Å; E135-K168 PolarHBondContact OE1-NZ 3.3Å
136M83Confident89.3Confident114 Ų11454 Ų5456%0.56226%0.263SS*.THydrogen-bonded Turntrans-58-33.8-166-177.8-178.9-70.700114E133E133-M136 HydrophobicContact CB-CB 4.12Å; E133-M136 HydrophobicContact CB-CE 4.06Å; E133-M136 HydrophobicContact CG-CE 3.7Å; E133-M136 WeakPolarHBondContact OE1-CE 3.49Å; E133-M136 WeakPolarHBondContact OE2-CE 3.48Å; E133-M136 VanDerWaalsContact OE2-SD 3.4Å
137H88.7Confident90.1Very high127 Ų12753.7 Ų53.759%0.58826%0.258SS*.THydrogen-bonded Turntrans-100.34.4-173.6-61-48.8000113.7E135 S141E135-H137 VanDerWaalsContact C-N 3.25Å; E135-H137 PolarHBondContact O-N 2.88Å; E135-H137 VanDerWaalsContact O-N 3.1Å; H137-S141 VanDerWaalsContact CB-CB 3.44Å; H137-S141 WeakPolarHBondContact CB-OG 3.39Å; H137-S141 PolarHBondContact O-OG 2.85Å
138G92.5Very high90.5Very high18 Ų1846.9 Ų46.919%0.18623%0.227CC..  trans82.4-169.517900000114.4E135 S141 C166E135-G138 PolarHBondContact O-N 3.15Å; E135-G138 VanDerWaalsContact O-N 3.1Å; G138-S141 WeakPolarHBondContact O-CB 3.49Å; G138-S141 PolarHBondContact O-N 3.44Å; G138-S141 PolarHBondContact O-OG 3.06Å; G138-C166 VanDerWaalsContact C-SG 3.57Å; G138-C166 WeakPolarHBondContact O-CB 3.44Å
139P95.7Very high90.9Very high33 Ų3348.9 Ų48.921%0.21423%0.233CC..THydrogen-bonded Turntrans-59144.7-176.7-25.534.7000113.1S141 T167 Y296 L299P139-S141 PolarHBondContact O-N 3.44Å; P139-S141 VanDerWaalsContact O-N 3.13Å; P139-T167 HydrophobicContact CB-CG2 3.8Å; P139-T167 HydrophobicContact CG-CG2 3.76Å; P139-Y296 HydrophobicContact CB-CD2 3.82Å; P139-Y296 HydrophobicContact CB-CE2 3.82Å; P139-Y296 HydrophobicContact CG-CD2 4.37Å; P139-L299 HydrophobicContact CG-CB 3.99Å; P139-L299 HydrophobicContact CG-CD1 3.79Å
140R95.7Very high91.4Very high9 Ų946.4 Ų46.43%0.03422%0.219CC..THydrogen-bonded Turntrans62.111.3177.2-51-64-179.2-103.9-1.5115D164 Q169 L171 L199 T203 Y296R140-D164 WeakPolarHBondContact CA-OD2 3.48Å; R140-D164 WeakPolarHBondContact CD-OD2 3.39Å; R140-D164 IonicContact CZ-OD2 3.98Å; R140-D164 PolarHBondContact N-OD2 2.99Å; R140-D164 IonicContact NE-OD2 3.71Å; R140-D164 IonicContact NH1-OD2 4Å; R140-D164 PolarHBondContact NH1-OD2 3.12Å; R140-Q169 VanDerWaalsContact CZ-OE1 3.26Å; R140-L171 VanDerWaalsContact NH2-CD2 3.29Å; R140-L199 HydrophobicContact CB-CD2 4.15Å; R140-L199 HydrophobicContact CG-CD2 4.37Å; R140-T203 WeakPolarHBondContact O-CB 3.45Å; R140-T203 WeakPolarHBondContact O-CG2 3.31Å; R140-T203 PolarHBondContact O-OG1 3.47Å; R140-Y296 HydrophobicContact CG-CE2 4.29Å
141S95.3Very high91.8Very high20 Ų2048.8 Ų48.814%0.1424%0.235CC..SBendtrans-84.7-41.7177.8-65.30000112.9H137 G138 P139 I204H137-S141 VanDerWaalsContact CB-CB 3.44Å; H137-S141 WeakPolarHBondContact CB-OG 3.39Å; H137-S141 PolarHBondContact O-OG 2.85Å; G138-S141 WeakPolarHBondContact O-CB 3.49Å; G138-S141 PolarHBondContact O-N 3.44Å; G138-S141 PolarHBondContact O-OG 3.06Å; P139-S141 PolarHBondContact O-N 3.44Å; P139-S141 VanDerWaalsContact O-N 3.13Å; S141-I204 PolarHBondContact O-N 3.39Å
142V96.2Very high92.2Very high3 Ų342.4 Ų42.42%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-125.7116.5177.5-179.50000108.6V130 F134 L144 G165V130-V142 HydrophobicContact CB-CG1 4.46Å; V130-V142 HydrophobicContact CG1-CG1 3.9Å; V130-V142 HydrophobicContact CG2-CG1 3.64Å; V130-V142 HydrophobicContact CG2-CG2 4.36Å; F134-V142 HydrophobicContact CD1-CG1 4.36Å; V142-L144 HydrophobicContact CG1-CD2 4.25Å; V142-G165 WeakPolarHBondContact O-CA 3.31Å; V142-G165 PolarHBondContact O-N 3.17Å
143L97.1Very high92.5Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-107.6130.8174.8-53.4-173.6000108.7I162 L163 D164 L171 M191 L199 T203 I204 L205 H206L143-I162 HydrophobicContact CB-CG2 3.92Å; L143-I162 HydrophobicContact CD1-CG2 4.23Å; L143-L163 CarbonylContact C-O 3.47Å; L143-L163 WeakPolarHBondContact CA-O 3.44Å; L143-D164 HydrophobicContact CD2-CB 4.31Å; L143-L171 HydrophobicContact CD1-CD1 4.1Å; L143-L171 HydrophobicContact CD2-CD1 3.5Å; L143-L171 HydrophobicContact CG-CD1 4.42Å; L143-M191 HydrophobicContact CD1-CE 3.7Å; L143-M191 HydrophobicContact CD1-SD 3.77Å; L143-L199 HydrophobicContact CD1-CD2 4.05Å; L143-T203 HydrophobicContact CD1-CG2 3.82Å; L143-T203 HydrophobicContact CG-CG2 3.81Å; L143-I204 PolarHBondContact N-O 3.05Å; L143-L205 HydrophobicContact CB-CD1 3.88Å; L143-L205 CarbonylContact O-C 3.56Å; L143-L205 WeakPolarHBondContact O-CA 3.33Å; L143-H206 PolarHBondContact O-N 3.2Å
144L96Very high92.3Very high0 Ų042.1 Ų42.10%024%0.24CC..EExtended strand (participates in β ladder)trans-106.1129-177.2-60.1167.6000109.4F134 V142 I162 L163 H206 P242 Q243F134-L144 HydrophobicContact CD1-CD1 3.94Å; F134-L144 HydrophobicContact CD1-CD2 3.73Å; F134-L144 HydrophobicContact CD1-CG 4.32Å; F134-L144 HydrophobicContact CE1-CD1 4.23Å; F134-L144 HydrophobicContact CE1-CD2 3.65Å; V142-L144 HydrophobicContact CG1-CD2 4.25Å; L144-I162 CarbonylContact O-C 3.5Å; L144-I162 WeakPolarHBondContact O-CA 3.49Å; L144-L163 HydrophobicContact CB-CB 4.42Å; L144-L163 PolarHBondContact N-O 3.04Å; L144-L163 PolarHBondContact O-N 3.23Å; L144-H206 CarbonylContact C-O 3.57Å; L144-H206 WeakPolarHBondContact CA-O 3.3Å; L144-H206 HydrophobicContact CD2-CB 4.03Å; L144-P242 HydrophobicContact CD1-CB 3.65Å; L144-P242 HydrophobicContact CD1-CG 3.72Å; L144-Q243 HydrophobicContact CB-CG 3.71Å; L144-Q243 PolarHBondContact O-NE2 3.01Å
145T96.4Very high92.5Very high0 Ų043.7 Ų43.70%026%0.257CS..EExtended strand (participates in β ladder)trans-125.7136.7176.1-170.80000111.9T161 L205 H206 Y213 F218T145-T161 VanDerWaalsContact CA-O 3.25Å; T145-T161 WeakPolarHBondContact CA-O 3.42Å; T145-T161 WeakPolarHBondContact CB-O 3.42Å; T145-T161 PolarHBondContact OG1-O 2.86Å; T145-L205 HydrophobicContact CG2-CD1 4.04Å; T145-L205 HydrophobicContact CG2-CG 4.14Å; T145-H206 PolarHBondContact N-O 3.5Å; T145-Y213 HydrophobicContact CG2-CD1 4.09Å; T145-Y213 HydrophobicContact CG2-CE1 3.6Å; T145-F218 HydrophobicContact CG2-CZ 4.35Å
146D95.3Very high92.7Very high29 Ų2943.6 Ų43.616%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-153.1168.1178.1-166.118.9000110.6S160 T161 Y213 N240 Q243 F247D146-S160 WeakPolarHBondContact O-CA 3.44Å; D146-T161 PolarHBondContact N-O 3.23Å; D146-T161 PolarHBondContact O-N 2.87Å; D146-Y213 WeakPolarHBondContact CA-OH 3.35Å; D146-Y213 PolarHBondContact N-OH 3.42Å; D146-Y213 PolarHBondContact O-OH 3.41Å; D146-N240 WeakPolarHBondContact CB-ND2 3.41Å; D146-N240 PolarHBondContact OD2-ND2 3.03Å; D146-N240 VanDerWaalsContact OD2-ND2 3.09Å; D146-Q243 HydrophobicContact CB-CB 4.34Å; D146-Q243 HydrophobicContact CB-CG 4.27Å; D146-F247 HydrophobicContact CB-CE2 3.87Å; D146-F247 HydrophobicContact CB-CZ 4.39Å
147I95Very high93.3Very high18 Ų1838.2 Ų38.29%0.09223%0.229CC..EExtended strand (participates in β ladder)trans-118.7126.5175.9-65.5158.3000108.8L159 L179 F183 V184 H212 Y213I147-L159 CarbonylContact C-O 3.56Å; I147-L159 VanDerWaalsContact CA-O 3.3Å; I147-L159 WeakPolarHBondContact CA-O 3.05Å; I147-L179 HydrophobicContact CG2-CD2 4.46Å; I147-F183 HydrophobicContact CD1-CE2 4.45Å; I147-F183 HydrophobicContact CD1-CZ 3.82Å; I147-F183 HydrophobicContact CG1-CE2 4.15Å; I147-F183 HydrophobicContact CG1-CZ 3.97Å; I147-F183 HydrophobicContact CG2-CE2 4.39Å; I147-F183 HydrophobicContact CG2-CZ 4.06Å; I147-V184 HydrophobicContact CD1-CG2 3.39Å; I147-V184 HydrophobicContact CG1-CG2 3.96Å; I147-H212 HydrophobicContact CD1-CB 4.13Å; I147-H212 WeakPolarHBondContact CD1-CD2 3.37Å; I147-Y213 WeakPolarHBondContact CG1-OH 3.43Å; I147-Y213 PolarHBondContact N-OH 2.97Å
148T95Very high93.8Very high14 Ų1433.8 Ų33.89%0.08621%0.207CC..EExtended strand (participates in β ladder)trans-110.3149.2171-156.10000111.7I150 L159 F247 M250 K251T148-I150 HydrophobicContact CG2-CG1 4.32Å; T148-L159 HydrophobicContact CG2-CB 3.95Å; T148-L159 HydrophobicContact CG2-CD2 4.11Å; T148-L159 HydrophobicContact CG2-CG 4.43Å; T148-L159 PolarHBondContact N-O 2.96Å; T148-L159 PolarHBondContact O-N 3.08Å; T148-F247 HydrophobicContact CG2-CD1 3.41Å; T148-F247 VanDerWaalsContact CG2-CD1 3.41Å; T148-F247 HydrophobicContact CG2-CD2 4.4Å; T148-F247 HydrophobicContact CG2-CE1 3.42Å; T148-F247 VanDerWaalsContact CG2-CE1 3.42Å; T148-F247 HydrophobicContact CG2-CE2 4.39Å; T148-F247 HydrophobicContact CG2-CG 3.93Å; T148-F247 HydrophobicContact CG2-CZ 3.94Å; T148-M250 HydrophobicContact CG2-CE 4Å; T148-K251 VanDerWaalsContact OG1-CE 3.29Å; T148-K251 WeakPolarHBondContact OG1-CE 3.34Å; T148-K251 PolarHBondContact OG1-NZ 2.68Å
149Y95.4Very high94Very high80 Ų8033 Ų3331%0.31420%0.198SC..EExtended strand (participates in β ladder)trans-95.1129.2179.9-69.9-123.4000108.2F156 Y158 L179 K251Y149-F156 HydrophobicContact CD1-CB 4.29Å; Y149-F156 HydrophobicContact CD1-CG 4.24Å; Y149-Y158 AromaticContact CD1-CD1 3.92Å; Y149-Y158 HydrophobicContact CD1-CD1 3.92Å; Y149-Y158 AromaticContact CD1-CE1 3.5Å; Y149-Y158 HydrophobicContact CD1-CE1 3.5Å; Y149-Y158 HydrophobicContact CD2-CD1 4.48Å; Y149-Y158 HydrophobicContact CE1-CD1 4Å; Y149-Y158 AromaticContact CE1-CE1 3.46Å; Y149-Y158 HydrophobicContact CE1-CE1 3.46Å; Y149-Y158 VanDerWaalsContact CE1-CE1 3.46Å; Y149-Y158 HydrophobicContact CG-CD1 4.15Å; Y149-Y158 HydrophobicContact CG-CE1 4.2Å; Y149-L179 HydrophobicContact CE1-CD1 4.02Å; Y149-L179 WeakPolarHBondContact OH-CD1 3.33Å; Y149-K251 PolarHBondContact O-NZ 3.48Å
150I94.3Very high94.1Very high4 Ų431.4 Ų31.42%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-116.7118.8-179.8-60.2178.6000108.1T148 F156 C157 L159 L175 M250 W261 V267 I271T148-I150 HydrophobicContact CG2-CG1 4.32Å; I150-F156 CarbonylContact O-C 3.52Å; I150-F156 VanDerWaalsContact O-CA 3.25Å; I150-F156 WeakPolarHBondContact O-CA 3.49Å; I150-C157 PolarHBondContact N-O 2.95Å; I150-C157 PolarHBondContact O-N 3.14Å; I150-L159 HydrophobicContact CD1-CB 3.73Å; I150-L159 HydrophobicContact CD1-CD2 4.14Å; I150-L159 HydrophobicContact CG1-CB 4.45Å; I150-L175 HydrophobicContact CD1-CD2 3.95Å; I150-M250 HydrophobicContact CD1-CE 4.35Å; I150-W261 HydrophobicContact CG2-CE3 4.24Å; I150-W261 HydrophobicContact CG2-CH2 4.37Å; I150-W261 HydrophobicContact CG2-CZ3 3.48Å; I150-W261 VanDerWaalsContact CG2-CZ3 3.48Å; I150-V267 HydrophobicContact CD1-CG1 4.37Å; I150-V267 HydrophobicContact CG2-CG1 3.99Å; I150-I271 HydrophobicContact CD1-CD1 3.89Å; I150-I271 HydrophobicContact CD1-CG1 4.25Å
151P92.4Very high94.3Very high54 Ų5431 Ų3135%0.35119%0.187SC..EExtended strand (participates in β ladder)trans-67.7137.2-178.828.6-34000111.1F156 I258P151-F156 HydrophobicContact CB-CD1 4.23Å; P151-F156 HydrophobicContact CB-CE1 4.03Å; P151-I258 HydrophobicContact CG-CG2 3.72Å
152L91.7Very high94.4Very high20 Ų2030 Ų3011%0.10518%0.18CC..EExtended strand (participates in β ladder)trans-149.7118.1176.3179.464.1000109.1G154 A155 W261 F264 V267L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 3.14Å; L152-A155 PolarHBondContact N-O 3.1Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 WeakPolarHBondContact O-CA 3.27Å; L152-A155 PolarHBondContact O-N 2.77Å; L152-W261 HydrophobicContact CD1-CB 3.81Å; L152-F264 HydrophobicContact CD2-CB 4.38Å; L152-V267 HydrophobicContact CD1-CG2 3.85Å; L152-V267 HydrophobicContact CD2-CG2 4.01Å; L152-V267 HydrophobicContact CG-CG2 4.36Å
153N86.3Confident94.5Very high120 Ų12029.9 Ų29.964%0.64218%0.179SC*.THydrogen-bonded Turntrans47.543.8176-64.7-21.9000115.9A155 W261 T262N153-A155 PolarHBondContact O-N 2.9Å; N153-W261 PolarHBondContact OD1-O 3.05Å; N153-T262 PolarHBondContact ND2-O 3.47Å
154G83.5Confident94.5Very high89 Ų8929.9 Ų29.992%0.91818%0.179SC*.THydrogen-bonded Turntrans76.31.5-17900000114.9L152L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 3.14Å
155A89.5Confident94.4Very high57 Ų5729.9 Ų29.947%0.47118%0.179SC..EExtended strand (participates in β ladder)trans-116.5-162.7168.500000110.1L152 N153L152-A155 PolarHBondContact N-O 3.1Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 WeakPolarHBondContact O-CA 3.27Å; L152-A155 PolarHBondContact O-N 2.77Å; N153-A155 PolarHBondContact O-N 2.9Å
156F92.4Very high94.4Very high106 Ų10630.3 Ų30.347%0.46518%0.182SC..EExtended strand (participates in β ladder)trans-135.8143.4176.6-62.6-84.5000110.5Y149 I150 P151 Y158Y149-F156 HydrophobicContact CD1-CB 4.29Å; Y149-F156 HydrophobicContact CD1-CG 4.24Å; I150-F156 CarbonylContact O-C 3.52Å; I150-F156 VanDerWaalsContact O-CA 3.25Å; I150-F156 WeakPolarHBondContact O-CA 3.49Å; P151-F156 HydrophobicContact CB-CD1 4.23Å; P151-F156 HydrophobicContact CB-CE1 4.03Å; F156-Y158 HydrophobicContact CB-CE1 4.04Å
157C95.5Very high94.4Very high1 Ų129 Ų291%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-103.1170.4154.262.20000109.2I150 S176 F264I150-C157 PolarHBondContact N-O 2.95Å; I150-C157 PolarHBondContact O-N 3.14Å; C157-S176 WeakPolarHBondContact CA-O 3.34Å; C157-S176 WeakPolarHBondContact CB-O 3.47Å; C157-F264 HydrophobicContact CB-CD2 3.98Å; C157-F264 HydrophobicContact CB-CE2 4.06Å
158Y97.6Very high94.5Very high35 Ų3529.4 Ų29.414%0.13718%0.176CC..EExtended strand (participates in β ladder)trans-127.8134.3-168.4-47.2-76.2000109.5Y149 F156 L175 S176 L179Y149-Y158 AromaticContact CD1-CD1 3.92Å; Y149-Y158 HydrophobicContact CD1-CD1 3.92Å; Y149-Y158 AromaticContact CD1-CE1 3.5Å; Y149-Y158 HydrophobicContact CD1-CE1 3.5Å; Y149-Y158 HydrophobicContact CD2-CD1 4.48Å; Y149-Y158 HydrophobicContact CE1-CD1 4Å; Y149-Y158 AromaticContact CE1-CE1 3.46Å; Y149-Y158 HydrophobicContact CE1-CE1 3.46Å; Y149-Y158 VanDerWaalsContact CE1-CE1 3.46Å; Y149-Y158 HydrophobicContact CG-CD1 4.15Å; Y149-Y158 HydrophobicContact CG-CE1 4.2Å; F156-Y158 HydrophobicContact CB-CE1 4.04Å; Y158-L175 CarbonylContact O-C 3.59Å; Y158-L175 VanDerWaalsContact O-CA 3.31Å; Y158-L175 WeakPolarHBondContact O-CA 3.25Å; Y158-S176 WeakPolarHBondContact CD2-O 3.45Å; Y158-S176 PolarHBondContact N-O 3.47Å; Y158-S176 PolarHBondContact O-N 3.27Å; Y158-L179 HydrophobicContact CD1-CD1 4.04Å; Y158-L179 HydrophobicContact CD1-CD2 3.37Å; Y158-L179 HydrophobicContact CD1-CG 3.54Å; Y158-L179 HydrophobicContact CD2-CD2 4.12Å; Y158-L179 HydrophobicContact CD2-CG 3.78Å; Y158-L179 HydrophobicContact CE1-CD1 3.4Å; Y158-L179 HydrophobicContact CE1-CD2 3.68Å; Y158-L179 HydrophobicContact CE1-CG 3.32Å; Y158-L179 HydrophobicContact CE2-CB 4.31Å; Y158-L179 HydrophobicContact CE2-CD1 4.28Å; Y158-L179 HydrophobicContact CE2-CD2 4.41Å; Y158-L179 HydrophobicContact CE2-CG 3.61Å; Y158-L179 HydrophobicContact CG-CD2 3.6Å; Y158-L179 HydrophobicContact CG-CG 3.75Å
159L98.1Very high94.7Very high0 Ų029 Ų290%017%0.174CC..EExtended strand (participates in β ladder)trans-116.7119.7176.317367.2000108.2I147 T148 I150 T161 Y173 L175 F247 M250 I271 M275I147-L159 CarbonylContact C-O 3.56Å; I147-L159 VanDerWaalsContact CA-O 3.3Å; I147-L159 WeakPolarHBondContact CA-O 3.05Å; T148-L159 HydrophobicContact CG2-CB 3.95Å; T148-L159 HydrophobicContact CG2-CD2 4.11Å; T148-L159 HydrophobicContact CG2-CG 4.43Å; T148-L159 PolarHBondContact N-O 2.96Å; T148-L159 PolarHBondContact O-N 3.08Å; I150-L159 HydrophobicContact CD1-CB 3.73Å; I150-L159 HydrophobicContact CD1-CD2 4.14Å; I150-L159 HydrophobicContact CG1-CB 4.45Å; L159-T161 HydrophobicContact CD1-CG2 4.14Å; L159-T161 HydrophobicContact CD2-CG2 3.98Å; L159-T161 HydrophobicContact CG-CG2 3.81Å; L159-Y173 HydrophobicContact CD1-CD2 4.12Å; L159-Y173 HydrophobicContact CD1-CG 4.47Å; L159-L175 HydrophobicContact CB-CD2 3.75Å; L159-L175 HydrophobicContact CD1-CD2 3.86Å; L159-L175 HydrophobicContact CD1-CG 3.93Å; L159-L175 HydrophobicContact CG-CD2 4.36Å; L159-F247 HydrophobicContact CD2-CE1 4.26Å; L159-M250 HydrophobicContact CD2-CE 3.73Å; L159-M250 HydrophobicContact CD2-SD 3.62Å; L159-I271 HydrophobicContact CD1-CG2 4.16Å; L159-I271 HydrophobicContact CD2-CD1 4.44Å; L159-I271 HydrophobicContact CD2-CG2 4.4Å; L159-M275 HydrophobicContact CD1-CE 4.27Å; L159-M275 HydrophobicContact CD2-CE 3.68Å
160S98.2Very high94.8Very high0 Ų025.6 Ų25.60%016%0.161CC..EExtended strand (participates in β ladder)trans-98.8137.6165.9-173.60000109.3D146 Y173 V174 T187D146-S160 WeakPolarHBondContact O-CA 3.44Å; S160-Y173 CarbonylContact O-C 3.56Å; S160-Y173 WeakPolarHBondContact O-CA 3.47Å; S160-Y173 WeakPolarHBondContact O-CB 3.26Å; S160-V174 PolarHBondContact N-O 3.29Å; S160-V174 PolarHBondContact O-N 3.03Å; S160-T187 WeakPolarHBondContact CB-OG1 3.29Å
161T98.4Very high95Very high0 Ų025.6 Ų25.60%016%0.161CC..EExtended strand (participates in β ladder)trans-129.6156.917760.90000111.2T145 D146 L159 S172 Q243 F246 F247 M275T145-T161 VanDerWaalsContact CA-O 3.25Å; T145-T161 WeakPolarHBondContact CA-O 3.42Å; T145-T161 WeakPolarHBondContact CB-O 3.42Å; T145-T161 PolarHBondContact OG1-O 2.86Å; D146-T161 PolarHBondContact N-O 3.23Å; D146-T161 PolarHBondContact O-N 2.87Å; L159-T161 HydrophobicContact CD1-CG2 4.14Å; L159-T161 HydrophobicContact CD2-CG2 3.98Å; L159-T161 HydrophobicContact CG-CG2 3.81Å; T161-S172 CarbonylContact C-O 3.51Å; T161-S172 WeakPolarHBondContact CA-O 3.36Å; T161-Q243 PolarHBondContact O-NE2 3.28Å; T161-Q243 PolarHBondContact OG1-NE2 3.4Å; T161-Q243 PolarHBondContact OG1-OE1 2.87Å; T161-F246 HydrophobicContact CG2-CE1 3.93Å; T161-F246 HydrophobicContact CG2-CZ 4.46Å; T161-F247 HydrophobicContact CG2-CE1 3.87Å; T161-F247 HydrophobicContact CG2-CZ 4.3Å; T161-F247 WeakPolarHBondContact OG1-CZ 3.28Å; T161-M275 HydrophobicContact CG2-CE 4.04Å
162I98.4Very high95.3Very high0 Ų023.1 Ų23.10%015%0.145CC..EExtended strand (participates in β ladder)trans-124.1113.3165.7-64.2171.8000107.8L143 L144 L171 S172 T187 V188 M191 L205L143-I162 HydrophobicContact CB-CG2 3.92Å; L143-I162 HydrophobicContact CD1-CG2 4.23Å; L144-I162 CarbonylContact O-C 3.5Å; L144-I162 WeakPolarHBondContact O-CA 3.49Å; I162-L171 PolarHBondContact O-N 2.95Å; I162-S172 PolarHBondContact N-O 3.17Å; I162-T187 HydrophobicContact CD1-CG2 3.95Å; I162-T187 HydrophobicContact CG1-CG2 3.87Å; I162-V188 HydrophobicContact CD1-CB 4.33Å; I162-V188 HydrophobicContact CD1-CG2 3.89Å; I162-M191 HydrophobicContact CB-CG 4.42Å; I162-M191 HydrophobicContact CD1-CB 3.77Å; I162-M191 HydrophobicContact CD1-CE 4.08Å; I162-M191 HydrophobicContact CD1-CG 4.12Å; I162-M191 HydrophobicContact CG2-CE 4.44Å; I162-M191 HydrophobicContact CG2-CG 4.06Å; I162-L205 HydrophobicContact CD1-CD1 4.42Å; I162-L205 HydrophobicContact CG1-CD1 4.45Å; I162-L205 HydrophobicContact CG2-CD1 4.19Å
163L97.8Very high95.6Very high1 Ų124.2 Ų24.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-104.3137.4-178.2-165.477.9000110L143 L144 G165 K168 Q169 V170 P242 Q243 F246 Y278L143-L163 CarbonylContact C-O 3.47Å; L143-L163 WeakPolarHBondContact CA-O 3.44Å; L144-L163 HydrophobicContact CB-CB 4.42Å; L144-L163 PolarHBondContact N-O 3.04Å; L144-L163 PolarHBondContact O-N 3.23Å; L163-G165 PolarHBondContact O-N 3.44Å; L163-K168 WeakPolarHBondContact CD1-O 3.25Å; L163-Q169 CarbonylContact C-O 3.59Å; L163-Q169 WeakPolarHBondContact CA-O 3.03Å; L163-V170 HydrophobicContact CD1-CG2 3.78Å; L163-P242 HydrophobicContact CD2-CB 4.21Å; L163-Q243 HydrophobicContact CB-CG 4.42Å; L163-F246 HydrophobicContact CD1-CD2 4.11Å; L163-F246 HydrophobicContact CD1-CE2 4.45Å; L163-F246 HydrophobicContact CD1-CG 4.34Å; L163-F246 HydrophobicContact CD2-CB 4.31Å; L163-Y278 HydrophobicContact CD1-CE1 4.47Å
164D97.2Very high96.2Very high0 Ų019.1 Ų19.10%012%0.121CC..EExtended strand (participates in β ladder)trans-74.3122.1167-169.3-61.6000109.9R140 L143 C166 T167 K168 Q169 L171R140-D164 WeakPolarHBondContact CA-OD2 3.48Å; R140-D164 WeakPolarHBondContact CD-OD2 3.39Å; R140-D164 IonicContact CZ-OD2 3.98Å; R140-D164 PolarHBondContact N-OD2 2.99Å; R140-D164 IonicContact NE-OD2 3.71Å; R140-D164 IonicContact NH1-OD2 4Å; R140-D164 PolarHBondContact NH1-OD2 3.12Å; L143-D164 HydrophobicContact CD2-CB 4.31Å; D164-C166 VanDerWaalsContact C-N 3.26Å; D164-C166 PolarHBondContact O-N 3.4Å; D164-C166 WeakPolarHBondContact OD1-CA 3.3Å; D164-C166 WeakPolarHBondContact OD1-CB 3.42Å; D164-C166 PolarHBondContact OD1-N 3.04Å; D164-T167 WeakPolarHBondContact CB-OG1 3.26Å; D164-T167 PolarHBondContact OD1-N 3.17Å; D164-K168 WeakPolarHBondContact O-CA 3.38Å; D164-K168 PolarHBondContact O-N 3.32Å; D164-Q169 HydrophobicContact CB-CB 4.36Å; D164-Q169 PolarHBondContact N-O 3.49Å; D164-L171 HydrophobicContact CB-CD1 4.31Å; D164-L171 HydrophobicContact CB-CG 4.47Å
165G95.1Very high96.9Very high0 Ų016 Ų160%08%0.083CC..THydrogen-bonded Turntrans-63.8-29.2-178.300000113.7F134 E135 V142 L163 K168F134-G165 CarbonylContact O-C 3.58Å; E135-G165 WeakPolarHBondContact CG-O 3.41Å; V142-G165 WeakPolarHBondContact O-CA 3.31Å; V142-G165 PolarHBondContact O-N 3.17Å; L163-G165 PolarHBondContact O-N 3.44Å; G165-K168 PolarHBondContact O-NZ 2.95Å
166C95.2Very high97.3Very high9 Ų914.3 Ų14.36%0.0617%0.068CC..THydrogen-bonded Turntrans-88.6-52.4-179.6179.30000111.5G138 D164G138-C166 VanDerWaalsContact C-SG 3.57Å; G138-C166 WeakPolarHBondContact O-CB 3.44Å; D164-C166 VanDerWaalsContact C-N 3.26Å; D164-C166 PolarHBondContact O-N 3.4Å; D164-C166 WeakPolarHBondContact OD1-CA 3.3Å; D164-C166 WeakPolarHBondContact OD1-CB 3.42Å; D164-C166 PolarHBondContact OD1-N 3.04Å
167T96.3Very high97.4Very high0 Ų016 Ų160%08%0.077CC..THydrogen-bonded Turntrans-91.4-9.1-172.768.30000114.4P139 D164 Q169 Y295 Y296 L299P139-T167 HydrophobicContact CB-CG2 3.8Å; P139-T167 HydrophobicContact CG-CG2 3.76Å; D164-T167 WeakPolarHBondContact CB-OG1 3.26Å; D164-T167 PolarHBondContact OD1-N 3.17Å; T167-Q169 PolarHBondContact O-N 3.35Å; T167-Q169 VanDerWaalsContact O-N 3.13Å; T167-Q169 WeakPolarHBondContact OG1-CG 3.36Å; T167-Q169 PolarHBondContact OG1-N 3.41Å; T167-Q169 PolarHBondContact OG1-OE1 3.04Å; T167-Y295 HydrophobicContact CG2-CD1 4.48Å; T167-Y296 HydrophobicContact CG2-CD2 3.97Å; T167-L299 HydrophobicContact CG2-CD1 4.08Å
168K96.8Very high97.1Very high27 Ų2718.4 Ų18.412%0.1179%0.094CC..  trans58.615.9-173.5-42.4-57.2179.4-164.50113.8E135 L163 D164 G165 Y278 L287E135-K168 WeakPolarHBondContact OE1-CE 3.43Å; E135-K168 IonicContact OE1-NZ 2.69Å; E135-K168 PolarHBondContact OE1-NZ 3.3Å; L163-K168 WeakPolarHBondContact CD1-O 3.25Å; D164-K168 WeakPolarHBondContact O-CA 3.38Å; D164-K168 PolarHBondContact O-N 3.32Å; G165-K168 PolarHBondContact O-NZ 2.95Å; K168-Y278 WeakPolarHBondContact CB-OH 3.44Å; K168-Y278 WeakPolarHBondContact O-CE1 3.17Å; K168-Y278 PolarHBondContact O-OH 3.27Å; K168-L287 HydrophobicContact CB-CD1 4.08Å; K168-L287 HydrophobicContact CG-CD1 3.98Å; K168-L287 HydrophobicContact CG-CD2 3.91Å; K168-L287 HydrophobicContact CG-CG 4.48Å
169Q97.9Very high96.7Very high7 Ų718.7 Ų18.73%0.03310%0.098CC..  trans-67.7137.3174.7-73.8171.2-65.500110.5R140 L163 D164 T167 L171 P292 N293 Y296R140-Q169 VanDerWaalsContact CZ-OE1 3.26Å; L163-Q169 CarbonylContact C-O 3.59Å; L163-Q169 WeakPolarHBondContact CA-O 3.03Å; D164-Q169 HydrophobicContact CB-CB 4.36Å; D164-Q169 PolarHBondContact N-O 3.49Å; T167-Q169 PolarHBondContact O-N 3.35Å; T167-Q169 VanDerWaalsContact O-N 3.13Å; T167-Q169 WeakPolarHBondContact OG1-CG 3.36Å; T167-Q169 PolarHBondContact OG1-N 3.41Å; T167-Q169 PolarHBondContact OG1-OE1 3.04Å; Q169-L171 HydrophobicContact CB-CD2 3.99Å; Q169-L171 PolarHBondContact O-N 3.36Å; Q169-P292 HydrophobicContact CB-CB 4.25Å; Q169-P292 VanDerWaalsContact CG-C 3.45Å; Q169-P292 HydrophobicContact CG-CB 3.59Å; Q169-P292 VanDerWaalsContact CG-O 3.25Å; Q169-P292 WeakPolarHBondContact CG-O 3.25Å; Q169-N293 PolarHBondContact NE2-OD1 2.96Å; Q169-Y296 VanDerWaalsContact CD-CB 3.46Å; Q169-Y296 VanDerWaalsContact OE1-CG 3.26Å
170V98.4Very high96.2Very high8 Ų824.9 Ų24.95%0.04813%0.127CC..EExtended strand (participates in β ladder)trans-80107.9162.8-175.50000107.7L163 Y173 F246 M275 Y278 N279L163-V170 HydrophobicContact CD1-CG2 3.78Å; V170-Y173 HydrophobicContact CG1-CD1 4.01Å; V170-F246 HydrophobicContact CG2-CD2 4.2Å; V170-F246 HydrophobicContact CG2-CE1 4.41Å; V170-F246 HydrophobicContact CG2-CE2 3.28Å; V170-F246 HydrophobicContact CG2-CZ 3.41Å; V170-F246 VanDerWaalsContact CG2-CZ 3.41Å; V170-M275 HydrophobicContact CB-SD 4.21Å; V170-M275 HydrophobicContact CG1-SD 3.85Å; V170-M275 HydrophobicContact CG2-SD 3.96Å; V170-Y278 HydrophobicContact CG2-CD1 3.75Å; V170-Y278 HydrophobicContact CG2-CE1 3.72Å; V170-N279 PolarHBondContact N-OD1 3.08Å; V170-N279 PolarHBondContact O-ND2 3.18Å
171L98.4Very high95.6Very high3 Ų326 Ų262%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-84-24.9-178.9-59.3-179.8000113.2R140 L143 I162 D164 Q169 M191 H195R140-L171 VanDerWaalsContact NH2-CD2 3.29Å; L143-L171 HydrophobicContact CD1-CD1 4.1Å; L143-L171 HydrophobicContact CD2-CD1 3.5Å; L143-L171 HydrophobicContact CG-CD1 4.42Å; I162-L171 PolarHBondContact O-N 2.95Å; D164-L171 HydrophobicContact CB-CD1 4.31Å; D164-L171 HydrophobicContact CB-CG 4.47Å; Q169-L171 HydrophobicContact CB-CD2 3.99Å; Q169-L171 PolarHBondContact O-N 3.36Å; L171-M191 HydrophobicContact CB-CG 3.85Å; L171-M191 HydrophobicContact CD1-CG 4.46Å; L171-H195 PolarHBondContact O-CD2 3.18Å; L171-H195 PolarHBondContact O-NE2 3.11Å
172S98.6Very high95.3Very high2 Ų230.4 Ų30.41%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-162.4150.4175.4-1800000109.1T161 I162 T187 K190T161-S172 CarbonylContact C-O 3.51Å; T161-S172 WeakPolarHBondContact CA-O 3.36Å; I162-S172 PolarHBondContact N-O 3.17Å; S172-T187 WeakPolarHBondContact CB-O 3.43Å; S172-T187 PolarHBondContact OG-O 3.4Å; S172-K190 WeakPolarHBondContact OG-CB 3.38Å; S172-K190 WeakPolarHBondContact OG-CG 3.45Å
173Y98.7Very high95.2Very high43 Ų4330.9 Ų30.917%0.16916%0.159CC..EExtended strand (participates in β ladder)trans-151150.7169.165.6-87.1000109.7L159 S160 V170 K190 I271 D272 M275L159-Y173 HydrophobicContact CD1-CD2 4.12Å; L159-Y173 HydrophobicContact CD1-CG 4.47Å; S160-Y173 CarbonylContact O-C 3.56Å; S160-Y173 WeakPolarHBondContact O-CA 3.47Å; S160-Y173 WeakPolarHBondContact O-CB 3.26Å; V170-Y173 HydrophobicContact CG1-CD1 4.01Å; Y173-K190 PolarHBondContact O-NZ 3.24Å; Y173-I271 HydrophobicContact CD2-CG2 4.25Å; Y173-I271 HydrophobicContact CE2-CG2 4.21Å; Y173-D272 VanDerWaalsContact CE2-OD1 3.28Å; Y173-D272 WeakPolarHBondContact CE2-OD1 3.04Å; Y173-D272 WeakPolarHBondContact OH-CA 3.35Å; Y173-D272 PolarHBondContact OH-OD1 3.38Å; Y173-D272 VanDerWaalsContact OH-OD1 3.12Å; Y173-M275 HydrophobicContact CD1-CB 4.09Å; Y173-M275 HydrophobicContact CD1-CG 3.74Å; Y173-M275 HydrophobicContact CD1-SD 3.95Å; Y173-M275 HydrophobicContact CD2-CG 4.22Å; Y173-M275 HydrophobicContact CE1-CB 3.5Å; Y173-M275 VanDerWaalsContact CE1-CB 3.5Å; Y173-M275 HydrophobicContact CE1-CG 3.56Å; Y173-M275 HydrophobicContact CE1-SD 4.34Å; Y173-M275 HydrophobicContact CE2-CG 4.07Å; Y173-M275 HydrophobicContact CG-CE 4.21Å; Y173-M275 HydrophobicContact CG-CG 4.07Å; Y173-M275 HydrophobicContact CG-SD 4.21Å
174V98.7Very high95.2Very high13 Ų1330.8 Ų30.88%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-141133174.4-178.80000108.7S160 F183 E186 T187 K190S160-V174 PolarHBondContact N-O 3.29Å; S160-V174 PolarHBondContact O-N 3.03Å; V174-F183 HydrophobicContact CG1-CB 3.95Å; V174-E186 HydrophobicContact CG1-CG 4.49Å; V174-E186 HydrophobicContact CG2-CB 4.27Å; V174-E186 HydrophobicContact CG2-CG 3.99Å; V174-T187 VanDerWaalsContact CB-OG1 3.3Å; V174-T187 WeakPolarHBondContact CB-OG1 3.44Å; V174-T187 VanDerWaalsContact CG2-OG1 3.31Å; V174-T187 WeakPolarHBondContact CG2-OG1 3.36Å; V174-K190 HydrophobicContact CG2-CD 4.36Å
175L98.3Very high95.1Very high23 Ų2331.7 Ų31.712%0.1216%0.164CC..EExtended strand (participates in β ladder)trans-94.6148.8171.5-78.4165.5000110.6I150 Y158 L159 F264 V267 Q268 I271I150-L175 HydrophobicContact CD1-CD2 3.95Å; Y158-L175 CarbonylContact O-C 3.59Å; Y158-L175 VanDerWaalsContact O-CA 3.31Å; Y158-L175 WeakPolarHBondContact O-CA 3.25Å; L159-L175 HydrophobicContact CB-CD2 3.75Å; L159-L175 HydrophobicContact CD1-CD2 3.86Å; L159-L175 HydrophobicContact CD1-CG 3.93Å; L159-L175 HydrophobicContact CG-CD2 4.36Å; L175-F264 HydrophobicContact CB-CE2 3.85Å; L175-F264 HydrophobicContact CB-CZ 3.52Å; L175-V267 HydrophobicContact CD1-CG1 4.41Å; L175-V267 HydrophobicContact CD2-CG1 4.37Å; L175-Q268 VanDerWaalsContact CD1-CA 3.49Å; L175-Q268 HydrophobicContact CD1-CB 3.96Å; L175-Q268 HydrophobicContact CD1-CG 4.23Å; L175-I271 HydrophobicContact CD1-CB 3.9Å; L175-I271 HydrophobicContact CD1-CG1 4.12Å; L175-I271 HydrophobicContact CD1-CG2 4.04Å; L175-I271 HydrophobicContact CG-CG2 4.45Å
176S97Very high95.3Very high22 Ų2236.4 Ų36.415%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-148.1142.6176.5178.50000111.5C157 Y158 S178C157-S176 WeakPolarHBondContact CA-O 3.34Å; C157-S176 WeakPolarHBondContact CB-O 3.47Å; Y158-S176 WeakPolarHBondContact CD2-O 3.45Å; Y158-S176 PolarHBondContact N-O 3.47Å; Y158-S176 PolarHBondContact O-N 3.27Å; S176-S178 WeakPolarHBondContact CB-O 3.27Å; S176-S178 PolarHBondContact OG-N 2.91Å; S176-S178 PolarHBondContact OG-O 3.35Å
177E94.4Very high95.5Very high141 Ų14136 Ų3666%0.65918%0.183SC*.SBendtrans-77.6-12.2167.9-64.1-176.492.900112.1F264E177-F264 HydrophobicContact CG-CB 3.95Å; E177-F264 HydrophobicContact CG-CD1 4.27Å; E177-F264 HydrophobicContact CG-CD2 3.36Å; E177-F264 HydrophobicContact CG-CE2 3.82Å; E177-F264 HydrophobicContact CG-CG 3.6Å; E177-F264 HydrophobicContact CG-CZ 4.44Å
178S90.2Very high95.6Very high52 Ų5236 Ų3636%0.36418%0.183SC..SBendtrans-118.6144.2-177.3-177.60000112.3S176 E180S176-S178 WeakPolarHBondContact CB-O 3.27Å; S176-S178 PolarHBondContact OG-N 2.91Å; S176-S178 PolarHBondContact OG-O 3.35Å; S178-E180 PolarHBondContact O-N 3.17Å; S178-E180 WeakPolarHBondContact OG-CG 3.47Å; S178-E180 PolarHBondContact OG-N 2.76Å
179L88.1Confident95.6Very high41 Ų4140 Ų4022%0.21520%0.202CC..  trans-83.810.6170.5-87.8169.4000113.1I147 Y149 Y158 H212I147-L179 HydrophobicContact CG2-CD2 4.46Å; Y149-L179 HydrophobicContact CE1-CD1 4.02Å; Y149-L179 WeakPolarHBondContact OH-CD1 3.33Å; Y158-L179 HydrophobicContact CD1-CD1 4.04Å; Y158-L179 HydrophobicContact CD1-CD2 3.37Å; Y158-L179 HydrophobicContact CD1-CG 3.54Å; Y158-L179 HydrophobicContact CD2-CD2 4.12Å; Y158-L179 HydrophobicContact CD2-CG 3.78Å; Y158-L179 HydrophobicContact CE1-CD1 3.4Å; Y158-L179 HydrophobicContact CE1-CD2 3.68Å; Y158-L179 HydrophobicContact CE1-CG 3.32Å; Y158-L179 HydrophobicContact CE2-CB 4.31Å; Y158-L179 HydrophobicContact CE2-CD1 4.28Å; Y158-L179 HydrophobicContact CE2-CD2 4.41Å; Y158-L179 HydrophobicContact CE2-CG 3.61Å; Y158-L179 HydrophobicContact CG-CD2 3.6Å; Y158-L179 HydrophobicContact CG-CG 3.75Å; L179-H212 PolarHBondContact O-CE1 3.39Å
180E88.2Confident95.7Very high131 Ų13142.5 Ų42.561%0.61221%0.213SC*.SBendtrans-59.9153.3173.2-71.1-55.214600111.4S178 D182 F183S178-E180 PolarHBondContact O-N 3.17Å; S178-E180 WeakPolarHBondContact OG-CG 3.47Å; S178-E180 PolarHBondContact OG-N 2.76Å; E180-D182 PolarHBondContact O-N 3.3Å; E180-D182 VanDerWaalsContact O-N 3.12Å; E180-F183 WeakPolarHBondContact O-CD1 3.14Å; E180-F183 VanDerWaalsContact O-CE1 3.25Å; E180-F183 WeakPolarHBondContact O-CE1 3.22Å
181V86.3Confident95.6Very high24 Ų2442.1 Ų42.115%0.14521%0.21CC..THydrogen-bonded Turntrans-67.7-17.4-170.169.30000114.4F183 V184 L185 H212 K217V181-F183 PolarHBondContact O-N 3.05Å; V181-V184 PolarHBondContact O-N 2.87Å; V181-V184 VanDerWaalsContact O-N 3.15Å; V181-L185 HydrophobicContact CG1-CD1 4.37Å; V181-L185 HydrophobicContact CG2-CG 4.35Å; V181-L185 PolarHBondContact O-N 3.42Å; V181-H212 HydrophobicContact CG2-CB 4.27Å; V181-K217 HydrophobicContact CG1-CD 4.27Å
182D92.3Very high95.6Very high92 Ų9243.9 Ų43.949%0.49222%0.221SC..Hα-helixtrans-62.9-37.4-167.5-64.4-27.7000113.2E180 V184 L185 E186 K217E180-D182 PolarHBondContact O-N 3.3Å; E180-D182 VanDerWaalsContact O-N 3.12Å; D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.18Å; D182-L185 WeakPolarHBondContact O-CB 3.39Å; D182-L185 PolarHBondContact O-N 3.08Å; D182-L185 VanDerWaalsContact O-N 3.14Å; D182-E186 WeakPolarHBondContact O-CB 3.49Å; D182-E186 PolarHBondContact O-N 3.43Å; D182-K217 IonicContact OD1-NZ 3.82Å
183F96.2Very high95.5Very high9 Ų951.8 Ų51.84%0.03926%0.258CS..Hα-helixtrans-67.5-28.8178.880.6-79.5000113.2I147 V174 E180 V181 T187I147-F183 HydrophobicContact CD1-CE2 4.45Å; I147-F183 HydrophobicContact CD1-CZ 3.82Å; I147-F183 HydrophobicContact CG1-CE2 4.15Å; I147-F183 HydrophobicContact CG1-CZ 3.97Å; I147-F183 HydrophobicContact CG2-CE2 4.39Å; I147-F183 HydrophobicContact CG2-CZ 4.06Å; V174-F183 HydrophobicContact CG1-CB 3.95Å; E180-F183 WeakPolarHBondContact O-CD1 3.14Å; E180-F183 VanDerWaalsContact O-CE1 3.25Å; E180-F183 WeakPolarHBondContact O-CE1 3.22Å; V181-F183 PolarHBondContact O-N 3.05Å; F183-T187 PolarHBondContact O-N 3.29Å; F183-T187 PolarHBondContact O-OG1 3.01Å
184V96.2Very high95.4Very high0 Ų054.8 Ų54.80%027%0.273CS..Hα-helixtrans-71-39.6174.1-179.50000110.2I147 V181 D182 T187 V188 H212 Y213 F218I147-V184 HydrophobicContact CD1-CG2 3.39Å; I147-V184 HydrophobicContact CG1-CG2 3.96Å; V181-V184 PolarHBondContact O-N 2.87Å; V181-V184 VanDerWaalsContact O-N 3.15Å; D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.18Å; V184-T187 PolarHBondContact O-N 3.23Å; V184-V188 PolarHBondContact O-N 2.83Å; V184-H212 HydrophobicContact CG1-CB 4.46Å; V184-H212 HydrophobicContact CG2-CB 4.06Å; V184-Y213 HydrophobicContact CG1-CD1 4.1Å; V184-Y213 HydrophobicContact CG1-CE1 3.55Å; V184-F218 HydrophobicContact CG1-CD2 3.85Å; V184-F218 HydrophobicContact CG1-CE2 3.73Å
185L96.7Very high95.3Very high19 Ų1956.6 Ų56.610%0.09928%0.281CS..Hα-helixtrans-64.5-44.3174.4-57.1179.5000110.8V181 D182 T187 V188 Q189 K217 F218 L221V181-L185 HydrophobicContact CG1-CD1 4.37Å; V181-L185 HydrophobicContact CG2-CG 4.35Å; V181-L185 PolarHBondContact O-N 3.42Å; D182-L185 WeakPolarHBondContact O-CB 3.39Å; D182-L185 PolarHBondContact O-N 3.08Å; D182-L185 VanDerWaalsContact O-N 3.14Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.94Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-Q189 WeakPolarHBondContact O-CG 3.47Å; L185-Q189 PolarHBondContact O-N 3.06Å; L185-K217 HydrophobicContact CD1-CB 3.82Å; L185-K217 HydrophobicContact CD1-CD 3.93Å; L185-K217 HydrophobicContact CD2-CB 4.31Å; L185-F218 VanDerWaalsContact CD2-CA 3.48Å; L185-F218 HydrophobicContact CD2-CB 3.88Å; L185-F218 HydrophobicContact CD2-CD2 4.01Å; L185-F218 HydrophobicContact CD2-CG 4.41Å; L185-L221 HydrophobicContact CB-CD2 3.88Å; L185-L221 HydrophobicContact CD2-CB 4.49Å; L185-L221 HydrophobicContact CD2-CD2 3.89Å; L185-L221 HydrophobicContact CG-CD2 4.48Å; L185-L221 WeakPolarHBondContact O-CD2 3.38Å
186E98.3Very high95Very high99 Ų9956.9 Ų56.946%0.46329%0.289SS..Hα-helixtrans-58.1-42.3175.3-172.6-174.2158.100111.3V174 D182 V188 Q189 K190V174-E186 HydrophobicContact CG1-CG 4.49Å; V174-E186 HydrophobicContact CG2-CB 4.27Å; V174-E186 HydrophobicContact CG2-CG 3.99Å; D182-E186 WeakPolarHBondContact O-CB 3.49Å; D182-E186 PolarHBondContact O-N 3.43Å; E186-V188 VanDerWaalsContact C-N 3.3Å; E186-V188 PolarHBondContact O-N 2.84Å; E186-Q189 PolarHBondContact O-N 3.29Å; E186-Q189 VanDerWaalsContact O-N 3.16Å; E186-K190 VanDerWaalsContact O-CB 3.3Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 PolarHBondContact O-N 3.36Å
187T98.6Very high94.7Very high0 Ų064.5 Ų64.50%033%0.326CS..Hα-helixtrans-58-43.2177.9-54.50000111.5S160 I162 S172 V174 F183 V184 L185 M191S160-T187 WeakPolarHBondContact CB-OG1 3.29Å; I162-T187 HydrophobicContact CD1-CG2 3.95Å; I162-T187 HydrophobicContact CG1-CG2 3.87Å; S172-T187 WeakPolarHBondContact CB-O 3.43Å; S172-T187 PolarHBondContact OG-O 3.4Å; V174-T187 VanDerWaalsContact CB-OG1 3.3Å; V174-T187 WeakPolarHBondContact CB-OG1 3.44Å; V174-T187 VanDerWaalsContact CG2-OG1 3.31Å; V174-T187 WeakPolarHBondContact CG2-OG1 3.36Å; F183-T187 PolarHBondContact O-N 3.29Å; F183-T187 PolarHBondContact O-OG1 3.01Å; V184-T187 PolarHBondContact O-N 3.23Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.94Å; T187-M191 WeakPolarHBondContact O-CB 3.24Å; T187-M191 PolarHBondContact O-N 3.25Å; T187-M191 VanDerWaalsContact O-N 3.08Å
188V98.4Very high94.6Very high0 Ų059.6 Ų59.60%031%0.307CS..Hα-helixtrans-67.9-44.3175.9176.80000111.4I162 V184 L185 E186 K190 M191 V192 L205 F218 L221I162-V188 HydrophobicContact CD1-CB 4.33Å; I162-V188 HydrophobicContact CD1-CG2 3.89Å; V184-V188 PolarHBondContact O-N 2.83Å; L185-V188 PolarHBondContact O-N 3.05Å; E186-V188 VanDerWaalsContact C-N 3.3Å; E186-V188 PolarHBondContact O-N 2.84Å; V188-K190 PolarHBondContact O-N 3.23Å; V188-M191 PolarHBondContact O-N 3.25Å; V188-V192 HydrophobicContact CG1-CG2 4.39Å; V188-V192 WeakPolarHBondContact O-CG2 3.38Å; V188-V192 PolarHBondContact O-N 2.71Å; V188-L205 HydrophobicContact CG1-CD2 4.46Å; V188-L205 HydrophobicContact CG2-CD2 3.92Å; V188-F218 HydrophobicContact CG2-CE2 3.74Å; V188-F218 HydrophobicContact CG2-CZ 4.26Å; V188-L221 HydrophobicContact CB-CD2 3.82Å; V188-L221 HydrophobicContact CB-CG 4.49Å; V188-L221 HydrophobicContact CG1-CD2 3.94Å; V188-L221 HydrophobicContact CG1-CG 4.05Å
189Q98.4Very high94.8Very high110 Ų11058.4 Ų58.451%0.51430%0.297SS..Hα-helixtrans-60.9-45.4178.4-73172.5-12.500111.9L185 E186 M191 V192 H193 L221L185-Q189 WeakPolarHBondContact O-CG 3.47Å; L185-Q189 PolarHBondContact O-N 3.06Å; E186-Q189 PolarHBondContact O-N 3.29Å; E186-Q189 VanDerWaalsContact O-N 3.16Å; Q189-M191 PolarHBondContact O-N 2.92Å; Q189-V192 PolarHBondContact O-N 3.49Å; Q189-H193 VanDerWaalsContact O-CB 3.32Å; Q189-H193 WeakPolarHBondContact O-CB 3.25Å; Q189-H193 PolarHBondContact O-N 3.46Å; Q189-L221 HydrophobicContact CG-CD1 3.89Å; Q189-L221 HydrophobicContact CG-CD2 4.04Å
190K98.4Very high94.9Very high60 Ų6062.7 Ų62.726%0.26131%0.314SS..Hα-helixtrans-59.7-45.3175.8177.8177.3172.1-174.60111.2S172 Y173 V174 E186 V188 V192 H193 Q194S172-K190 WeakPolarHBondContact OG-CB 3.38Å; S172-K190 WeakPolarHBondContact OG-CG 3.45Å; Y173-K190 PolarHBondContact O-NZ 3.24Å; V174-K190 HydrophobicContact CG2-CD 4.36Å; E186-K190 VanDerWaalsContact O-CB 3.3Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 PolarHBondContact O-N 3.36Å; V188-K190 PolarHBondContact O-N 3.23Å; K190-V192 PolarHBondContact O-N 2.85Å; K190-H193 PolarHBondContact O-N 3.01Å; K190-Q194 WeakPolarHBondContact O-CB 3.31Å; K190-Q194 WeakPolarHBondContact O-CG 3.36Å; K190-Q194 PolarHBondContact O-N 3.06Å
191M98Very high95Very high0 Ų063.9 Ų63.90%032%0.317CS..Hα-helixtrans-60.3-46.7176.1-174.3-88.5-65.400112.2L143 I162 L171 T187 V188 Q189 H193 Q194 H195 L199 L227L143-M191 HydrophobicContact CD1-CE 3.7Å; L143-M191 HydrophobicContact CD1-SD 3.77Å; I162-M191 HydrophobicContact CB-CG 4.42Å; I162-M191 HydrophobicContact CD1-CB 3.77Å; I162-M191 HydrophobicContact CD1-CE 4.08Å; I162-M191 HydrophobicContact CD1-CG 4.12Å; I162-M191 HydrophobicContact CG2-CE 4.44Å; I162-M191 HydrophobicContact CG2-CG 4.06Å; L171-M191 HydrophobicContact CB-CG 3.85Å; L171-M191 HydrophobicContact CD1-CG 4.46Å; T187-M191 WeakPolarHBondContact O-CB 3.24Å; T187-M191 PolarHBondContact O-N 3.25Å; T187-M191 VanDerWaalsContact O-N 3.08Å; V188-M191 PolarHBondContact O-N 3.25Å; Q189-M191 PolarHBondContact O-N 2.92Å; M191-H193 VanDerWaalsContact C-N 3.34Å; M191-H193 PolarHBondContact O-N 3.02Å; M191-Q194 PolarHBondContact O-N 3.15Å; M191-H195 WeakPolarHBondContact O-CA 3.32Å; M191-H195 WeakPolarHBondContact O-CB 3.38Å; M191-H195 PolarHBondContact O-N 3.24Å; M191-L199 HydrophobicContact CE-CD1 4.12Å; M191-L199 HydrophobicContact SD-CD1 3.43Å; M191-L199 WeakPolarHBondContact SD-CD1 3.41Å; M191-L199 HydrophobicContact SD-CD2 4.28Å; M191-L199 HydrophobicContact SD-CG 4.42Å; M191-L227 HydrophobicContact CE-CD1 3.77Å
192V97.3Very high95.2Very high41 Ų4168.5 Ų68.525%0.24834%0.337CS..Hα-helixtrans-65.9-39.1178.7172.20000111.1V188 Q189 K190 G196 L199 L227V188-V192 HydrophobicContact CG1-CG2 4.39Å; V188-V192 WeakPolarHBondContact O-CG2 3.38Å; V188-V192 PolarHBondContact O-N 2.71Å; Q189-V192 PolarHBondContact O-N 3.49Å; K190-V192 PolarHBondContact O-N 2.85Å; V192-G196 WeakPolarHBondContact O-CA 3.4Å; V192-G196 PolarHBondContact O-N 3.3Å; V192-L199 HydrophobicContact CG2-CD1 4.5Å; V192-L227 HydrophobicContact CG2-CD1 4.28Å
193H97.2Very high95.4Very high168 Ų16864.2 Ų64.278%0.77831%0.314SS*.Hα-helixtrans-64.1-45.1176.9-179.369.4000112Q189 K190 M191Q189-H193 VanDerWaalsContact O-CB 3.32Å; Q189-H193 WeakPolarHBondContact O-CB 3.25Å; Q189-H193 PolarHBondContact O-N 3.46Å; K190-H193 PolarHBondContact O-N 3.01Å; M191-H193 VanDerWaalsContact C-N 3.34Å; M191-H193 PolarHBondContact O-N 3.02Å
194Q96.7Very high95.4Very high105 Ų10564.5 Ų64.549%0.49132%0.316SS..Hα-helixtrans-81.4-34.2-174.9-68.4178-32.900113.3K190 M191K190-Q194 WeakPolarHBondContact O-CB 3.31Å; K190-Q194 WeakPolarHBondContact O-CG 3.36Å; K190-Q194 PolarHBondContact O-N 3.06Å; M191-Q194 PolarHBondContact O-N 3.15Å
195H95.8Very high95.4Very high51 Ų5164.6 Ų64.624%0.23632%0.316CS..Hα-helixtrans-123.20.1-170.7-62.5-67.8000114.5L171 M191 I197 S198 L199L171-H195 PolarHBondContact O-CD2 3.18Å; L171-H195 PolarHBondContact O-NE2 3.11Å; M191-H195 WeakPolarHBondContact O-CA 3.32Å; M191-H195 WeakPolarHBondContact O-CB 3.38Å; M191-H195 PolarHBondContact O-N 3.24Å; H195-I197 PolarHBondContact O-N 2.92Å; H195-I197 VanDerWaalsContact O-N 3.07Å; H195-S198 PolarHBondContact O-N 3.41Å; H195-S198 PolarHBondContact O-OG 2.8Å; H195-L199 PolarHBondContact O-N 3.2Å
196G91.7Very high95.4Very high29 Ų2963.7 Ų63.730%0.29931%0.312SS..G310 helixtrans-53.7-33.3-173.300000115V192 S198 L199V192-G196 WeakPolarHBondContact O-CA 3.4Å; V192-G196 PolarHBondContact O-N 3.3Å; G196-S198 PolarHBondContact O-N 3.35Å; G196-L199 PolarHBondContact O-N 3.26Å; G196-L199 VanDerWaalsContact O-N 3.15Å
197I91.8Very high95.1Very high182 Ų18259.1 Ų59.193%0.93329%0.29SS*.G310 helixtrans-61.3-31.4176.7-60171.6000111.8H195H195-I197 PolarHBondContact O-N 2.92Å; H195-I197 VanDerWaalsContact O-N 3.07Å
198S91.7Very high94.7Very high38 Ų3861.9 Ų61.927%0.26631%0.305SS..G310 helixtrans-89.7-8.7179.7690000114.1H195 G196H195-S198 PolarHBondContact O-N 3.41Å; H195-S198 PolarHBondContact O-OG 2.8Å; G196-S198 PolarHBondContact O-N 3.35Å
199L93.6Very high94.1Very high27 Ų2763.9 Ų63.914%0.14132%0.315CS..  trans-86.2151.9-179.1-53-178.9000110.8R140 L143 M191 V192 H195 G196 T203 L227R140-L199 HydrophobicContact CB-CD2 4.15Å; R140-L199 HydrophobicContact CG-CD2 4.37Å; L143-L199 HydrophobicContact CD1-CD2 4.05Å; M191-L199 HydrophobicContact CE-CD1 4.12Å; M191-L199 HydrophobicContact SD-CD1 3.43Å; M191-L199 WeakPolarHBondContact SD-CD1 3.41Å; M191-L199 HydrophobicContact SD-CD2 4.28Å; M191-L199 HydrophobicContact SD-CG 4.42Å; V192-L199 HydrophobicContact CG2-CD1 4.5Å; H195-L199 PolarHBondContact O-N 3.2Å; G196-L199 PolarHBondContact O-N 3.26Å; G196-L199 VanDerWaalsContact O-N 3.15Å; L199-T203 HydrophobicContact CD2-CG2 4.4Å; L199-L227 HydrophobicContact CB-CD2 4.46Å; L199-L227 HydrophobicContact CD1-CD2 4.06Å
200K91.7Very high93.5Very high132 Ų13259 Ų5957%0.57429%0.294SS*.  trans-116.1161.9178.4-59.3175.2-174170.50109.5E202 T203K200-E202 WeakPolarHBondContact CB-OE2 3.2Å; K200-E202 PolarHBondContact O-N 3.15Å; K200-T203 PolarHBondContact N-OG1 3.12Å; K200-T203 WeakPolarHBondContact O-CB 3.46Å; K200-T203 PolarHBondContact O-N 2.8Å; K200-T203 PolarHBondContact O-OG1 3.07Å; K200-T203 VanDerWaalsContact O-OG1 3.14Å
201K89.1Confident92.8Very high156 Ų15656.9 Ų56.968%0.67829%0.286SS*.THydrogen-bonded Turntrans-62.5-25.1175.6-171.2176.9178.6-179.40112.1T203 S226K201-T203 VanDerWaalsContact C-N 3.33Å; K201-S226 WeakPolarHBondContact CA-O 3.24Å
202E91.7Very high92.3Very high120 Ų12057.8 Ų57.856%0.56129%0.291SS*.THydrogen-bonded Turntrans-81.1-13.1176.9-60.969.8-149.900112.7K200 I204K200-E202 WeakPolarHBondContact CB-OE2 3.2Å; K200-E202 PolarHBondContact O-N 3.15Å; E202-I204 PolarHBondContact O-N 2.81Å
203T96.3Very high92Very high2 Ų256 Ų561%0.01228%0.279CS..  trans-57.7125.5179.9-64.70000110.3R140 L143 L199 K200 K201 L227 R228R140-T203 WeakPolarHBondContact O-CB 3.45Å; R140-T203 WeakPolarHBondContact O-CG2 3.31Å; R140-T203 PolarHBondContact O-OG1 3.47Å; L143-T203 HydrophobicContact CD1-CG2 3.82Å; L143-T203 HydrophobicContact CG-CG2 3.81Å; L199-T203 HydrophobicContact CD2-CG2 4.4Å; K200-T203 PolarHBondContact N-OG1 3.12Å; K200-T203 WeakPolarHBondContact O-CB 3.46Å; K200-T203 PolarHBondContact O-N 2.8Å; K200-T203 PolarHBondContact O-OG1 3.07Å; K200-T203 VanDerWaalsContact O-OG1 3.14Å; K201-T203 VanDerWaalsContact C-N 3.33Å; T203-L227 HydrophobicContact CG2-CD2 3.83Å; T203-R228 PolarHBondContact O-N 3.22Å
204I95.7Very high91.5Very high16 Ų1648.5 Ų48.58%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-93.2130.5179.6-64.2166.1000108.8L129 V130 S141 L143 E202 H206 R228 S230L129-I204 HydrophobicContact CB-CD1 3.87Å; L129-I204 HydrophobicContact CD1-CD1 4.39Å; L129-I204 HydrophobicContact CD1-CG1 4.39Å; V130-I204 HydrophobicContact CG2-CG2 3.9Å; S141-I204 PolarHBondContact O-N 3.39Å; L143-I204 PolarHBondContact N-O 3.05Å; E202-I204 PolarHBondContact O-N 2.81Å; I204-H206 HydrophobicContact CG2-CB 4.24Å; I204-R228 CarbonylContact C-O 3.59Å; I204-R228 VanDerWaalsContact CA-O 3.26Å; I204-R228 WeakPolarHBondContact CA-O 3.49Å; I204-R228 HydrophobicContact CG1-CB 4.21Å; I204-S230 VanDerWaalsContact CG2-CB 3.43Å
205L96.6Very high91Very high1 Ų144.5 Ų44.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-102.3111.2162.8-173.766.3000108.4L143 T145 I162 V188 F218 V222 R228 S230L143-L205 HydrophobicContact CB-CD1 3.88Å; L143-L205 CarbonylContact O-C 3.56Å; L143-L205 WeakPolarHBondContact O-CA 3.33Å; T145-L205 HydrophobicContact CG2-CD1 4.04Å; T145-L205 HydrophobicContact CG2-CG 4.14Å; I162-L205 HydrophobicContact CD1-CD1 4.42Å; I162-L205 HydrophobicContact CG1-CD1 4.45Å; I162-L205 HydrophobicContact CG2-CD1 4.19Å; V188-L205 HydrophobicContact CG1-CD2 4.46Å; V188-L205 HydrophobicContact CG2-CD2 3.92Å; L205-F218 HydrophobicContact CD2-CE1 4.43Å; L205-F218 HydrophobicContact CD2-CZ 3.75Å; L205-V222 HydrophobicContact CD2-CG2 3.71Å; L205-R228 PolarHBondContact N-O 3Å; L205-S230 PolarHBondContact O-N 2.92Å
206H95.5Very high90.5Very high1 Ų146.6 Ų46.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-107.4131.6-174.7-172.185.5000111.4V130 L143 L144 T145 I204 S230 M231 S232 D239V130-H206 HydrophobicContact CG2-CB 3.74Å; V130-H206 WeakPolarHBondContact CG2-ND1 3.31Å; L143-H206 PolarHBondContact O-N 3.2Å; L144-H206 CarbonylContact C-O 3.57Å; L144-H206 WeakPolarHBondContact CA-O 3.3Å; L144-H206 HydrophobicContact CD2-CB 4.03Å; T145-H206 PolarHBondContact N-O 3.5Å; I204-H206 HydrophobicContact CG2-CB 4.24Å; H206-S230 VanDerWaalsContact CA-O 3.29Å; H206-S230 WeakPolarHBondContact CA-O 3.41Å; H206-S230 WeakPolarHBondContact ND1-CB 3.27Å; H206-S230 PolarHBondContact ND1-OG 3.21Å; H206-M231 VanDerWaalsContact CE1-C 3.42Å; H206-S232 PolarHBondContact CE1-N 3.41Å; H206-S232 VanDerWaalsContact CE1-N 3.27Å; H206-S232 PolarHBondContact NE2-N 3.33Å; H206-D239 PolarHBondContact NE2-O 3.21Å
207S93.3Very high90.3Very high2 Ų250.6 Ų50.61%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-138176179.570.40000111.3Y213 S230 M231 S232S207-Y213 VanDerWaalsContact OG-CB 3.24Å; S207-Y213 WeakPolarHBondContact OG-CB 3.48Å; S207-S230 PolarHBondContact N-O 2.93Å; S207-S230 VanDerWaalsContact N-O 3.1Å; S207-M231 CarbonylContact O-C 3.36Å; S207-M231 WeakPolarHBondContact O-CA 3.16Å; S207-S232 PolarHBondContact O-N 3.36Å
208D90.1Very high90.3Very high58 Ų5842 Ų4231%0.3121%0.206SC..  trans-74.3-175.1162.586.7-14.8000112G210 Y213 S232D208-G210 VanDerWaalsContact C-N 3.29Å; D208-G210 WeakPolarHBondContact OD1-CA 3.27Å; D208-G210 PolarHBondContact OD1-N 3.36Å; D208-Y213 WeakPolarHBondContact OD1-CD2 3.43Å; D208-Y213 WeakPolarHBondContact OD1-CE2 3.5Å; D208-S232 WeakPolarHBondContact CA-OG 3.46Å
209Q86.4Confident90.3Very high43 Ų4342.1 Ų42.120%0.20120%0.203CC..SBendtrans-95.230.9174.8-59.1-172.4700112.7T125 T214 M231 S232 K234T125-Q209 HydrophobicContact CG2-CG 4.37Å; Q209-T214 HydrophobicContact CB-CG2 4.45Å; Q209-M231 HydrophobicContact CG-CB 4.04Å; Q209-M231 HydrophobicContact CG-SD 4.16Å; Q209-S232 VanDerWaalsContact CG-O 3.24Å; Q209-S232 WeakPolarHBondContact CG-O 3.43Å; Q209-S232 PolarHBondContact NE2-O 3.11Å; Q209-K234 HydrophobicContact CB-CG 3.97Å; Q209-K234 HydrophobicContact CG-CG 4.32Å
210G84.4Confident90.2Very high7 Ų746.1 Ų46.17%0.07222%0.221CC..  trans-65.2154.8174.700000112.1D208 H212 Y213 T214D208-G210 VanDerWaalsContact C-N 3.29Å; D208-G210 WeakPolarHBondContact OD1-CA 3.27Å; D208-G210 PolarHBondContact OD1-N 3.36Å; G210-H212 PolarHBondContact O-N 3.08Å; G210-Y213 PolarHBondContact O-N 2.76Å; G210-T214 PolarHBondContact O-N 2.81Å; G210-T214 VanDerWaalsContact O-N 3.08Å; G210-T214 PolarHBondContact O-OG1 2.91Å
211C83.3Confident90.3Very high15 Ų1541 Ų4110%0.10120%0.2CC..Hα-helixtrans-61.6-28.3-174.452.30000113.9I120 Y213 C215I120-C211 HydrophobicContact CG2-CB 4.25Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; C211-C215 WeakPolarHBondContact O-CB 3.4Å; C211-C215 PolarHBondContact O-N 2.93Å
212H89Confident90.6Very high20 Ų2033.7 Ų33.79%0.09317%0.168CC..Hα-helixtrans-64-38.8175.6-52.7-66000111.5I147 L179 V181 V184 G210 C215 F218I147-H212 HydrophobicContact CD1-CB 4.13Å; I147-H212 WeakPolarHBondContact CD1-CD2 3.37Å; L179-H212 PolarHBondContact O-CE1 3.39Å; V181-H212 HydrophobicContact CG2-CB 4.27Å; V184-H212 HydrophobicContact CG1-CB 4.46Å; V184-H212 HydrophobicContact CG2-CB 4.06Å; G210-H212 PolarHBondContact O-N 3.08Å; H212-C215 PolarHBondContact O-SG 3.47Å; H212-C215 VanDerWaalsContact O-SG 3.4Å; H212-F218 VanDerWaalsContact O-CB 3.25Å; H212-F218 WeakPolarHBondContact O-CB 3.46Å
213Y91.3Very high90.6Very high3 Ų335.8 Ų35.81%0.01218%0.175CC..Hα-helixtrans-88.8-23.1-175.2-52.9-64.2000113.8T145 D146 I147 V184 S207 D208 G210 C211 F218 Q229 M231T145-Y213 HydrophobicContact CG2-CD1 4.09Å; T145-Y213 HydrophobicContact CG2-CE1 3.6Å; D146-Y213 WeakPolarHBondContact CA-OH 3.35Å; D146-Y213 PolarHBondContact N-OH 3.42Å; D146-Y213 PolarHBondContact O-OH 3.41Å; I147-Y213 WeakPolarHBondContact CG1-OH 3.43Å; I147-Y213 PolarHBondContact N-OH 2.97Å; V184-Y213 HydrophobicContact CG1-CD1 4.1Å; V184-Y213 HydrophobicContact CG1-CE1 3.55Å; S207-Y213 VanDerWaalsContact OG-CB 3.24Å; S207-Y213 WeakPolarHBondContact OG-CB 3.48Å; D208-Y213 WeakPolarHBondContact OD1-CD2 3.43Å; D208-Y213 WeakPolarHBondContact OD1-CE2 3.5Å; G210-Y213 PolarHBondContact O-N 2.76Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; Y213-F218 HydrophobicContact CD1-CD1 4.43Å; Y213-F218 HydrophobicContact CD1-CD2 4.14Å; Y213-F218 AromaticContact CD1-CE1 3.96Å; Y213-F218 HydrophobicContact CD1-CE1 3.96Å; Y213-F218 AromaticContact CD1-CE2 3.65Å; Y213-F218 HydrophobicContact CD1-CE2 3.65Å; Y213-F218 AromaticContact CD1-CZ 3.56Å; Y213-F218 HydrophobicContact CD1-CZ 3.56Å; Y213-F218 HydrophobicContact CE1-CE2 4.06Å; Y213-F218 HydrophobicContact CE1-CZ 4.19Å; Y213-F218 VanDerWaalsContact O-CD1 3.31Å; Y213-F218 WeakPolarHBondContact O-CD1 3.46Å; Y213-Q229 PolarHBondContact O-NE2 2.83Å; Y213-M231 WeakPolarHBondContact O-CE 3.47Å
214T86.7Confident90.5Very high11 Ų1141.7 Ų41.77%0.06721%0.207CC..Hα-helixtrans-88.2-7.617564.60000113.4T122 Q209 G210 I219 M231T122-T214 PolarHBondContact OG1-O 3.28Å; Q209-T214 HydrophobicContact CB-CG2 4.45Å; G210-T214 PolarHBondContact O-N 2.81Å; G210-T214 VanDerWaalsContact O-N 3.08Å; G210-T214 PolarHBondContact O-OG1 2.91Å; T214-I219 WeakPolarHBondContact O-CD1 3.47Å; T214-M231 HydrophobicContact CG2-CE 4.06Å; T214-M231 HydrophobicContact CG2-SD 4.03Å
215C84.4Confident90.4Very high21 Ų2142.4 Ų42.414%0.14221%0.213CC..SBendtrans-71.1153.2-178.290.10000111.4C211 H212 K217 F218 I219C211-C215 WeakPolarHBondContact O-CB 3.4Å; C211-C215 PolarHBondContact O-N 2.93Å; H212-C215 PolarHBondContact O-SG 3.47Å; H212-C215 VanDerWaalsContact O-SG 3.4Å; C215-K217 VanDerWaalsContact C-N 3.32Å; C215-K217 PolarHBondContact O-N 3.33Å; C215-F218 PolarHBondContact O-N 2.92Å; C215-F218 PolarHBondContact SG-N 3.15Å; C215-I219 WeakPolarHBondContact O-CD1 3.19Å; C215-I219 VanDerWaalsContact O-CG1 3.31Å; C215-I219 WeakPolarHBondContact O-CG1 3.47Å; C215-I219 PolarHBondContact O-N 3.02Å; C215-I219 VanDerWaalsContact O-N 3.17Å
216I85.5Confident90.2Very high94 Ų9446 Ų4648%0.48224%0.238SC..Hα-helixtrans-61.1-41.2-176.9-63.5171.3000111.4F218 I219 Q220I216-F218 VanDerWaalsContact C-N 3.34Å; I216-F218 PolarHBondContact O-N 3.41Å; I216-I219 PolarHBondContact O-N 3.04Å; I216-Q220 HydrophobicContact CG2-CG 4.1Å; I216-Q220 WeakPolarHBondContact O-CB 3.5Å; I216-Q220 VanDerWaalsContact O-CG 3.3Å; I216-Q220 WeakPolarHBondContact O-CG 3.3Å; I216-Q220 PolarHBondContact O-N 3.44Å
217K88.2Confident90.2Very high114 Ų11446.6 Ų46.650%0.49624%0.241SC..Hα-helixtrans-58.5-45179.7-68.8-175.5175.7-177.70111.7V181 D182 L185 C215 Q220 L221V181-K217 HydrophobicContact CG1-CD 4.27Å; D182-K217 IonicContact OD1-NZ 3.82Å; L185-K217 HydrophobicContact CD1-CB 3.82Å; L185-K217 HydrophobicContact CD1-CD 3.93Å; L185-K217 HydrophobicContact CD2-CB 4.31Å; C215-K217 VanDerWaalsContact C-N 3.32Å; C215-K217 PolarHBondContact O-N 3.33Å; K217-Q220 PolarHBondContact O-N 3.41Å; K217-L221 WeakPolarHBondContact O-CB 3.47Å; K217-L221 PolarHBondContact O-N 3.42Å
218F92.9Very high90.2Very high1 Ų152 Ų520%0.00426%0.262CS..Hα-helixtrans-65.1-48.6179.5-175.1-88000111.1T145 V184 L185 V188 L205 H212 Y213 C215 I216 Q220 L221 V222T145-F218 HydrophobicContact CG2-CZ 4.35Å; V184-F218 HydrophobicContact CG1-CD2 3.85Å; V184-F218 HydrophobicContact CG1-CE2 3.73Å; L185-F218 VanDerWaalsContact CD2-CA 3.48Å; L185-F218 HydrophobicContact CD2-CB 3.88Å; L185-F218 HydrophobicContact CD2-CD2 4.01Å; L185-F218 HydrophobicContact CD2-CG 4.41Å; V188-F218 HydrophobicContact CG2-CE2 3.74Å; V188-F218 HydrophobicContact CG2-CZ 4.26Å; L205-F218 HydrophobicContact CD2-CE1 4.43Å; L205-F218 HydrophobicContact CD2-CZ 3.75Å; H212-F218 VanDerWaalsContact O-CB 3.25Å; H212-F218 WeakPolarHBondContact O-CB 3.46Å; Y213-F218 HydrophobicContact CD1-CD1 4.43Å; Y213-F218 HydrophobicContact CD1-CD2 4.14Å; Y213-F218 AromaticContact CD1-CE1 3.96Å; Y213-F218 HydrophobicContact CD1-CE1 3.96Å; Y213-F218 AromaticContact CD1-CE2 3.65Å; Y213-F218 HydrophobicContact CD1-CE2 3.65Å; Y213-F218 AromaticContact CD1-CZ 3.56Å; Y213-F218 HydrophobicContact CD1-CZ 3.56Å; Y213-F218 HydrophobicContact CE1-CE2 4.06Å; Y213-F218 HydrophobicContact CE1-CZ 4.19Å; Y213-F218 VanDerWaalsContact O-CD1 3.31Å; Y213-F218 WeakPolarHBondContact O-CD1 3.46Å; C215-F218 PolarHBondContact O-N 2.92Å; C215-F218 PolarHBondContact SG-N 3.15Å; I216-F218 VanDerWaalsContact C-N 3.34Å; I216-F218 PolarHBondContact O-N 3.41Å; F218-Q220 VanDerWaalsContact C-N 3.31Å; F218-Q220 PolarHBondContact O-N 3.04Å; F218-L221 PolarHBondContact O-N 3.5Å; F218-L221 VanDerWaalsContact O-N 3.17Å; F218-V222 HydrophobicContact CD1-CG2 3.92Å; F218-V222 HydrophobicContact CE1-CG2 3.51Å; F218-V222 HydrophobicContact CZ-CG2 3.83Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 2.92Å
219I90.6Very high90.4Very high41 Ų4151 Ų5121%0.2126%0.255CS..Hα-helixtrans-58.9-43.9179.1-62163.5000111.1N124 T214 C215 I216 K223N124-I219 HydrophobicContact CB-CD1 3.34Å; T214-I219 WeakPolarHBondContact O-CD1 3.47Å; C215-I219 WeakPolarHBondContact O-CD1 3.19Å; C215-I219 VanDerWaalsContact O-CG1 3.31Å; C215-I219 WeakPolarHBondContact O-CG1 3.47Å; C215-I219 PolarHBondContact O-N 3.02Å; C215-I219 VanDerWaalsContact O-N 3.17Å; I216-I219 PolarHBondContact O-N 3.04Å; I219-K223 WeakPolarHBondContact O-CB 2.98Å; I219-K223 PolarHBondContact O-N 3.48Å
220Q90.6Very high90.7Very high110 Ų11048.9 Ų48.951%0.51425%0.245SC..Hα-helixtrans-63.9-43.5177.2-75.7176.8-21.300111.7I216 K217 F218 K223 N224I216-Q220 HydrophobicContact CG2-CG 4.1Å; I216-Q220 WeakPolarHBondContact O-CB 3.5Å; I216-Q220 VanDerWaalsContact O-CG 3.3Å; I216-Q220 WeakPolarHBondContact O-CG 3.3Å; I216-Q220 PolarHBondContact O-N 3.44Å; K217-Q220 PolarHBondContact O-N 3.41Å; F218-Q220 VanDerWaalsContact C-N 3.31Å; F218-Q220 PolarHBondContact O-N 3.04Å; Q220-K223 PolarHBondContact O-N 3.23Å; Q220-N224 VanDerWaalsContact O-CB 3.32Å; Q220-N224 WeakPolarHBondContact O-CB 3.48Å; Q220-N224 PolarHBondContact O-N 2.81Å; Q220-N224 PolarHBondContact O-ND2 3.41Å; Q220-N224 PolarHBondContact O-OD1 2.94Å
221L95.3Very high91Very high25 Ų2548.7 Ų48.713%0.13124%0.242CC..Hα-helixtrans-59.9-50.5177.1177.561000111.3L185 V188 Q189 K217 F218 K223 N224 S225L185-L221 HydrophobicContact CB-CD2 3.88Å; L185-L221 HydrophobicContact CD2-CB 4.49Å; L185-L221 HydrophobicContact CD2-CD2 3.89Å; L185-L221 HydrophobicContact CG-CD2 4.48Å; L185-L221 WeakPolarHBondContact O-CD2 3.38Å; V188-L221 HydrophobicContact CB-CD2 3.82Å; V188-L221 HydrophobicContact CB-CG 4.49Å; V188-L221 HydrophobicContact CG1-CD2 3.94Å; V188-L221 HydrophobicContact CG1-CG 4.05Å; Q189-L221 HydrophobicContact CG-CD1 3.89Å; Q189-L221 HydrophobicContact CG-CD2 4.04Å; K217-L221 WeakPolarHBondContact O-CB 3.47Å; K217-L221 PolarHBondContact O-N 3.42Å; F218-L221 PolarHBondContact O-N 3.5Å; F218-L221 VanDerWaalsContact O-N 3.17Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.19Å; L221-N224 PolarHBondContact O-N 2.82Å; L221-N224 VanDerWaalsContact O-N 3.15Å; L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 3.47Å; L221-S225 PolarHBondContact O-OG 3.06Å; L221-S225 VanDerWaalsContact O-OG 3.11Å
222V94.8Very high91.2Very high2 Ų248.2 Ų48.21%0.01224%0.239CC..Hα-helixtrans-57.3-44.5178.6175.40000111.2L205 F218 S225 S226 L227 Q229L205-V222 HydrophobicContact CD2-CG2 3.71Å; F218-V222 HydrophobicContact CD1-CG2 3.92Å; F218-V222 HydrophobicContact CE1-CG2 3.51Å; F218-V222 HydrophobicContact CZ-CG2 3.83Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 2.92Å; V222-S225 PolarHBondContact O-N 2.98Å; V222-S226 PolarHBondContact O-N 3.03Å; V222-L227 HydrophobicContact CG1-CB 3.84Å; V222-L227 PolarHBondContact O-N 3.26Å; V222-L227 VanDerWaalsContact O-N 3.07Å; V222-Q229 HydrophobicContact CG1-CB 3.97Å
223K91.5Very high90.6Very high164 Ų16456.1 Ų56.171%0.71327%0.268SS*.Hα-helixtrans-63.7-44.3176.8-175.2178.9178-177.60112.2I219 Q220 L221 S225 S226I219-K223 WeakPolarHBondContact O-CB 2.98Å; I219-K223 PolarHBondContact O-N 3.48Å; Q220-K223 PolarHBondContact O-N 3.23Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.19Å; K223-S225 VanDerWaalsContact C-N 3.27Å; K223-S225 PolarHBondContact O-N 3.39Å; K223-S226 PolarHBondContact O-N 3.36Å
224N94.4Very high89.7Confident127 Ų12763.2 Ų63.268%0.67930%0.299SS*.Hα-helixtrans-67.3-30.6179.9-69.5-10.2000112Q220 L221 S226Q220-N224 VanDerWaalsContact O-CB 3.32Å; Q220-N224 WeakPolarHBondContact O-CB 3.48Å; Q220-N224 PolarHBondContact O-N 2.81Å; Q220-N224 PolarHBondContact O-ND2 3.41Å; Q220-N224 PolarHBondContact O-OD1 2.94Å; L221-N224 PolarHBondContact O-N 2.82Å; L221-N224 VanDerWaalsContact O-N 3.15Å; N224-S226 PolarHBondContact O-N 3.34Å
225S94.3Very high88.6Confident31 Ų3167 Ų6722%0.21734%0.34CS..THydrogen-bonded Turntrans-77.45.6172.3-610000113.7L221 V222 K223 L227L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 3.47Å; L221-S225 PolarHBondContact O-OG 3.06Å; L221-S225 VanDerWaalsContact O-OG 3.11Å; V222-S225 PolarHBondContact O-N 2.98Å; K223-S225 VanDerWaalsContact C-N 3.27Å; K223-S225 PolarHBondContact O-N 3.39Å; S225-L227 PolarHBondContact O-N 3.44Å
226S92.7Very high87.9Confident76 Ų7667.9 Ų67.953%0.53134%0.344SS..THydrogen-bonded Turntrans58.228.7-178.3-59.10000114.2K201 V222 K223 N224K201-S226 WeakPolarHBondContact CA-O 3.24Å; V222-S226 PolarHBondContact O-N 3.03Å; K223-S226 PolarHBondContact O-N 3.36Å; N224-S226 PolarHBondContact O-N 3.34Å
227L94.6Very high86.9Confident13 Ų1366.2 Ų66.27%0.06834%0.339CS..PPolyproline II helixtrans-98.7154.5176.2-61.5175.1000110.8M191 V192 L199 T203 V222 S225M191-L227 HydrophobicContact CE-CD1 3.77Å; V192-L227 HydrophobicContact CG2-CD1 4.28Å; L199-L227 HydrophobicContact CB-CD2 4.46Å; L199-L227 HydrophobicContact CD1-CD2 4.06Å; T203-L227 HydrophobicContact CG2-CD2 3.83Å; V222-L227 HydrophobicContact CG1-CB 3.84Å; V222-L227 PolarHBondContact O-N 3.26Å; V222-L227 VanDerWaalsContact O-N 3.07Å; S225-L227 PolarHBondContact O-N 3.44Å
228R93.6Very high85.9Confident117 Ų11768.7 Ų68.744%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-94.5117.5175.3-66.5178.466.7-171.90.7110L129 T203 I204 L205L129-R228 HydrophobicContact CD1-CB 4.49Å; T203-R228 PolarHBondContact O-N 3.22Å; I204-R228 CarbonylContact C-O 3.59Å; I204-R228 VanDerWaalsContact CA-O 3.26Å; I204-R228 WeakPolarHBondContact CA-O 3.49Å; I204-R228 HydrophobicContact CG1-CB 4.21Å; L205-R228 PolarHBondContact N-O 3Å
229Q93.6Very high85.1Confident35 Ų3568.9 Ų68.916%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-71.9136.6174.2-164.7175.730.600110.8A126 Y213 V222 M231A126-Q229 HydrophobicContact CB-CB 4.21Å; A126-Q229 HydrophobicContact CB-CG 3.96Å; Y213-Q229 PolarHBondContact O-NE2 2.83Å; V222-Q229 HydrophobicContact CG1-CB 3.97Å; Q229-M231 HydrophobicContact CG-CE 4.28Å
230S92.9Very high84.7Confident0 Ų067.2 Ų67.20%034%0.339CS..EExtended strand (participates in β ladder)trans-134.6149167-174.60000110.3E127 N128 L129 I204 L205 H206 S207E127-S230 WeakPolarHBondContact O-CA 3.35Å; E127-S230 PolarHBondContact O-OG 3.3Å; N128-S230 WeakPolarHBondContact CA-OG 3.4Å; L129-S230 PolarHBondContact N-OG 3.22Å; I204-S230 VanDerWaalsContact CG2-CB 3.43Å; L205-S230 PolarHBondContact O-N 2.92Å; H206-S230 VanDerWaalsContact CA-O 3.29Å; H206-S230 WeakPolarHBondContact CA-O 3.41Å; H206-S230 WeakPolarHBondContact ND1-CB 3.27Å; H206-S230 PolarHBondContact ND1-OG 3.21Å; S207-S230 PolarHBondContact N-O 2.93Å; S207-S230 VanDerWaalsContact N-O 3.1Å
231M90.9Very high84.5Confident2 Ų263.7 Ų63.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-131.8141.2175.9-66.4177.3-171.700112.1A126 E127 N128 H206 S207 Q209 Y213 T214 Q229A126-M231 HydrophobicContact CB-CE 4.43Å; A126-M231 HydrophobicContact CB-CG 4.08Å; A126-M231 HydrophobicContact CB-SD 4.37Å; A126-M231 PolarHBondContact N-SD 3.2Å; A126-M231 VanDerWaalsContact N-SD 3.43Å; E127-M231 PolarHBondContact O-N 3.06Å; N128-M231 WeakPolarHBondContact CA-O 3.17Å; N128-M231 VanDerWaalsContact CB-O 3.27Å; N128-M231 WeakPolarHBondContact CB-O 3.3Å; H206-M231 VanDerWaalsContact CE1-C 3.42Å; S207-M231 CarbonylContact O-C 3.36Å; S207-M231 WeakPolarHBondContact O-CA 3.16Å; Q209-M231 HydrophobicContact CG-CB 4.04Å; Q209-M231 HydrophobicContact CG-SD 4.16Å; Y213-M231 WeakPolarHBondContact O-CE 3.47Å; T214-M231 HydrophobicContact CG2-CE 4.06Å; T214-M231 HydrophobicContact CG2-SD 4.03Å; Q229-M231 HydrophobicContact CG-CE 4.28Å
232S86.5Confident84.3Confident6 Ų663.6 Ų63.64%0.04233%0.329CS..PPolyproline II helixtrans-65.6165.2169.168.50000111.4H206 S207 D208 Q209H206-S232 PolarHBondContact CE1-N 3.41Å; H206-S232 VanDerWaalsContact CE1-N 3.27Å; H206-S232 PolarHBondContact NE2-N 3.33Å; S207-S232 PolarHBondContact O-N 3.36Å; D208-S232 WeakPolarHBondContact CA-OG 3.46Å; Q209-S232 VanDerWaalsContact CG-O 3.24Å; Q209-S232 WeakPolarHBondContact CG-O 3.43Å; Q209-S232 PolarHBondContact NE2-O 3.11Å
233R78.4Confident84.1Confident186 Ų18663.5 Ų63.570%0.70233%0.328SS*.PPolyproline II helixtrans-78.4145.9169.6-68.6-176.7-179.4-178.21.6109.8G235 N236 D239R233-G235 PolarHBondContact O-N 2.97Å; R233-N236 HydrophobicContact CB-CB 4.33Å; R233-N236 WeakPolarHBondContact O-CB 3.21Å; R233-N236 PolarHBondContact O-N 3.38Å; R233-N236 VanDerWaalsContact O-N 3.17Å; R233-D239 PolarHBondContact N-OD2 3.49Å
234K71.9Confident84Confident152 Ų15260.2 Ų60.266%0.66132%0.316SS*.THydrogen-bonded Turntrans-55.1131.4174.5-72.8-177.4-179.6-179.40111.4Q209 N236Q209-K234 HydrophobicContact CB-CG 3.97Å; Q209-K234 HydrophobicContact CG-CG 4.32Å; K234-N236 VanDerWaalsContact C-N 3.3Å
235G63.7Low83.9Confident90 Ų9057.3 Ų57.393%0.92831%0.305SS*.THydrogen-bonded Turntrans76.911.8176.900000114.7R233R233-G235 PolarHBondContact O-N 2.97Å
236N69Low84Confident40 Ų4056 Ų5621%0.21430%0.296CS..  trans-105.781.8176.6-165.911000110R132 R233 K234 W238 D239R132-N236 PolarHBondContact NH2-OD1 3.21Å; R233-N236 HydrophobicContact CB-CB 4.33Å; R233-N236 WeakPolarHBondContact O-CB 3.21Å; R233-N236 PolarHBondContact O-N 3.38Å; R233-N236 VanDerWaalsContact O-N 3.17Å; K234-N236 VanDerWaalsContact C-N 3.3Å; N236-W238 PolarHBondContact O-N 3.31Å; N236-D239 PolarHBondContact ND2-OD1 2.88Å; N236-D239 PolarHBondContact ND2-OD2 2.76Å; N236-D239 PolarHBondContact O-N 3.41Å
237C64.1Low84.2Confident58 Ų5853 Ų5339%0.39227%0.273SS..G310 helixtrans-55.8-34.4179.751.10000112.8D239 N240 A241 E244C237-D239 PolarHBondContact O-N 3.08Å; C237-N240 PolarHBondContact O-N 3.43Å; C237-A241 PolarHBondContact O-N 3.43Å; C237-E244 VanDerWaalsContact CB-OE1 3.26Å; C237-E244 WeakPolarHBondContact CB-OE1 3.48Å
238W67.1Low84.2Confident166 Ų16653.8 Ų53.863%0.62928%0.284SS*.G310 helixtrans-57.3-25.4179.6-56.6108.2000114.7R132 N236 N240R132-W238 VanDerWaalsContact NH2-CB 3.29Å; N236-W238 PolarHBondContact O-N 3.31Å; W238-N240 PolarHBondContact O-N 3.24Å
239D76.4Confident84.2Confident5 Ų551.7 Ų51.73%0.02728%0.28CS..G310 helixtrans-76.3-9.4179.9-68.4-8.7000112.4N128 R132 F134 H206 R233 N236 C237N128-D239 PolarHBondContact ND2-OD2 3.15Å; N128-D239 VanDerWaalsContact ND2-OD2 3.14Å; R132-D239 WeakPolarHBondContact CG-OD1 3.47Å; R132-D239 IonicContact CZ-OD1 3.08Å; R132-D239 IonicContact NE-OD1 3.61Å; R132-D239 PolarHBondContact NE-OD1 2.98Å; R132-D239 VanDerWaalsContact NE-OD1 3.08Å; F134-D239 WeakPolarHBondContact CE1-O 3.49Å; F134-D239 VanDerWaalsContact CZ-O 3.27Å; F134-D239 WeakPolarHBondContact CZ-O 3.26Å; H206-D239 PolarHBondContact NE2-O 3.21Å; R233-D239 PolarHBondContact N-OD2 3.49Å; N236-D239 PolarHBondContact ND2-OD1 2.88Å; N236-D239 PolarHBondContact ND2-OD2 2.76Å; N236-D239 PolarHBondContact O-N 3.41Å; C237-D239 PolarHBondContact O-N 3.08Å
240N81.9Confident84.4Confident7 Ų750.1 Ų50.14%0.03727%0.272CS..G310 helixtrans-126.718.9176.3-15935.8000113.1D146 C237 W238 P242 Q243 E244D146-N240 WeakPolarHBondContact CB-ND2 3.41Å; D146-N240 PolarHBondContact OD2-ND2 3.03Å; D146-N240 VanDerWaalsContact OD2-ND2 3.09Å; C237-N240 PolarHBondContact O-N 3.43Å; W238-N240 PolarHBondContact O-N 3.24Å; N240-P242 VanDerWaalsContact C-CD 3.41Å; N240-P242 VanDerWaalsContact C-N 3.34Å; N240-P242 VanDerWaalsContact O-N 3.16Å; N240-Q243 WeakPolarHBondContact O-CB 3.44Å; N240-Q243 PolarHBondContact O-N 3.39Å; N240-Q243 WeakPolarHBondContact OD1-CB 3.37Å; N240-E244 PolarHBondContact O-N 2.94Å; N240-E244 VanDerWaalsContact O-N 3.15Å
241A86.7Confident84.5Confident36 Ų3653.5 Ų53.530%0.29829%0.287SS..Hα-helixtrans-52-38.6-172.600000115.2C237 Q243 E244 S245C237-A241 PolarHBondContact O-N 3.43Å; A241-Q243 VanDerWaalsContact C-N 3.35Å; A241-Q243 PolarHBondContact O-N 3.21Å; A241-E244 PolarHBondContact O-N 2.91Å; A241-S245 WeakPolarHBondContact O-CB 3.35Å; A241-S245 PolarHBondContact O-N 3.17Å
242P90.3Very high84.8Confident22 Ų2259.1 Ų59.114%0.14332%0.317CS..Hα-helixtrans-63.2-37.8177.6-23.835.1000113.6F134 L144 L163 N240 F246F134-P242 HydrophobicContact CD1-CG 4.4Å; F134-P242 HydrophobicContact CD2-CG 3.78Å; F134-P242 HydrophobicContact CE2-CG 3.94Å; F134-P242 HydrophobicContact CG-CG 4.02Å; F134-P242 HydrophobicContact CZ-CG 4.32Å; L144-P242 HydrophobicContact CD1-CB 3.65Å; L144-P242 HydrophobicContact CD1-CG 3.72Å; L163-P242 HydrophobicContact CD2-CB 4.21Å; N240-P242 VanDerWaalsContact C-CD 3.41Å; N240-P242 VanDerWaalsContact C-N 3.34Å; N240-P242 VanDerWaalsContact O-N 3.16Å; P242-F246 VanDerWaalsContact O-CB 3.27Å; P242-F246 WeakPolarHBondContact O-CB 3.37Å; P242-F246 PolarHBondContact O-N 2.92Å
243Q91.4Very high85.1Confident0 Ų062.5 Ų62.50%033%0.332CS..Hα-helixtrans-69.1-41.2174.8-87.4-81.61700111.5L144 D146 T161 L163 N240 A241 S245 F246 F247L144-Q243 HydrophobicContact CB-CG 3.71Å; L144-Q243 PolarHBondContact O-NE2 3.01Å; D146-Q243 HydrophobicContact CB-CB 4.34Å; D146-Q243 HydrophobicContact CB-CG 4.27Å; T161-Q243 PolarHBondContact O-NE2 3.28Å; T161-Q243 PolarHBondContact OG1-NE2 3.4Å; T161-Q243 PolarHBondContact OG1-OE1 2.87Å; L163-Q243 HydrophobicContact CB-CG 4.42Å; N240-Q243 WeakPolarHBondContact O-CB 3.44Å; N240-Q243 PolarHBondContact O-N 3.39Å; N240-Q243 WeakPolarHBondContact OD1-CB 3.37Å; A241-Q243 VanDerWaalsContact C-N 3.35Å; A241-Q243 PolarHBondContact O-N 3.21Å; Q243-S245 VanDerWaalsContact C-N 3.34Å; Q243-S245 PolarHBondContact O-N 3.02Å; Q243-F246 WeakPolarHBondContact O-CB 3.41Å; Q243-F246 PolarHBondContact O-N 3Å; Q243-F247 VanDerWaalsContact O-CD2 3.24Å; Q243-F247 WeakPolarHBondContact O-CD2 3.41Å; Q243-F247 WeakPolarHBondContact O-CG 3.26Å; Q243-F247 PolarHBondContact O-N 2.87Å; Q243-F247 VanDerWaalsContact OE1-CZ 3.31Å
244E89.5Confident86Confident96 Ų9653.8 Ų53.845%0.44930%0.299SS..Hα-helixtrans-60.9-44.3175.8-67.4-174177.200111.4C237 N240 A241 F247 G248C237-E244 VanDerWaalsContact CB-OE1 3.26Å; C237-E244 WeakPolarHBondContact CB-OE1 3.48Å; N240-E244 PolarHBondContact O-N 2.94Å; N240-E244 VanDerWaalsContact O-N 3.15Å; A241-E244 PolarHBondContact O-N 2.91Å; E244-F247 PolarHBondContact O-N 3.29Å; E244-G248 PolarHBondContact O-N 2.95Å
245S92.2Very high87.1Confident65 Ų6549 Ų4946%0.45529%0.288SS..Hα-helixtrans-63.3-43.7176.1-166.20000111.9A241 Q243 G248 H249A241-S245 WeakPolarHBondContact O-CB 3.35Å; A241-S245 PolarHBondContact O-N 3.17Å; Q243-S245 VanDerWaalsContact C-N 3.34Å; Q243-S245 PolarHBondContact O-N 3.02Å; S245-G248 PolarHBondContact O-N 3.19Å; S245-H249 PolarHBondContact O-CD2 2.92Å; S245-H249 PolarHBondContact O-N 3.35Å
246F96.5Very high88.4Confident5 Ų552.9 Ų52.92%0.02228%0.282CS..Hα-helixtrans-58.2-50.9176.7165.7-97.8000111.7T161 L163 V170 P242 Q243 G248 H249 M250 W274 M275 Y278T161-F246 HydrophobicContact CG2-CE1 3.93Å; T161-F246 HydrophobicContact CG2-CZ 4.46Å; L163-F246 HydrophobicContact CD1-CD2 4.11Å; L163-F246 HydrophobicContact CD1-CE2 4.45Å; L163-F246 HydrophobicContact CD1-CG 4.34Å; L163-F246 HydrophobicContact CD2-CB 4.31Å; V170-F246 HydrophobicContact CG2-CD2 4.2Å; V170-F246 HydrophobicContact CG2-CE1 4.41Å; V170-F246 HydrophobicContact CG2-CE2 3.28Å; V170-F246 HydrophobicContact CG2-CZ 3.41Å; V170-F246 VanDerWaalsContact CG2-CZ 3.41Å; P242-F246 VanDerWaalsContact O-CB 3.27Å; P242-F246 WeakPolarHBondContact O-CB 3.37Å; P242-F246 PolarHBondContact O-N 2.92Å; Q243-F246 WeakPolarHBondContact O-CB 3.41Å; Q243-F246 PolarHBondContact O-N 3Å; F246-G248 VanDerWaalsContact C-N 3.32Å; F246-G248 PolarHBondContact O-N 2.83Å; F246-H249 PolarHBondContact O-N 2.58Å; F246-M250 WeakPolarHBondContact O-CB 3.43Å; F246-M250 PolarHBondContact O-N 2.84Å; F246-W274 AromaticContact CD2-CH2 3.99Å; F246-W274 HydrophobicContact CD2-CH2 3.99Å; F246-W274 HydrophobicContact CD2-CZ3 4.31Å; F246-W274 AromaticContact CE2-CH2 3.49Å; F246-W274 HydrophobicContact CE2-CH2 3.49Å; F246-W274 VanDerWaalsContact CE2-CH2 3.49Å; F246-W274 AromaticContact CE2-CZ3 3.37Å; F246-W274 HydrophobicContact CE2-CZ3 3.37Å; F246-W274 HydrophobicContact CZ-CH2 4.01Å; F246-W274 AromaticContact CZ-CZ3 3.51Å; F246-W274 HydrophobicContact CZ-CZ3 3.51Å; F246-M275 HydrophobicContact CE1-CE 4.36Å; F246-M275 HydrophobicContact CZ-CE 3.81Å; F246-M275 HydrophobicContact CZ-SD 3.87Å; F246-Y278 HydrophobicContact CD2-CD2 4.17Å; F246-Y278 HydrophobicContact CD2-CE1 4.04Å; F246-Y278 AromaticContact CD2-CE2 3.66Å; F246-Y278 HydrophobicContact CD2-CE2 3.66Å; F246-Y278 AromaticContact CD2-CZ 3.61Å; F246-Y278 AromaticContact CE2-CD1 3.93Å; F246-Y278 HydrophobicContact CE2-CD1 3.93Å; F246-Y278 AromaticContact CE2-CD2 4Å; F246-Y278 HydrophobicContact CE2-CD2 4Å; F246-Y278 AromaticContact CE2-CE1 3.84Å; F246-Y278 HydrophobicContact CE2-CE1 3.84Å; F246-Y278 AromaticContact CE2-CE2 3.92Å; F246-Y278 HydrophobicContact CE2-CE2 3.92Å; F246-Y278 HydrophobicContact CE2-CG 4.03Å; F246-Y278 AromaticContact CE2-CZ 3.86Å
247F97.1Very high89.6Confident11 Ų1155 Ų555%0.04829%0.289CS..Hα-helixtrans-66.5-33.3178.2-68.5-44.6000113.2D146 T148 L159 T161 Q243 E244 M250 K251D146-F247 HydrophobicContact CB-CE2 3.87Å; D146-F247 HydrophobicContact CB-CZ 4.39Å; T148-F247 HydrophobicContact CG2-CD1 3.41Å; T148-F247 VanDerWaalsContact CG2-CD1 3.41Å; T148-F247 HydrophobicContact CG2-CD2 4.4Å; T148-F247 HydrophobicContact CG2-CE1 3.42Å; T148-F247 VanDerWaalsContact CG2-CE1 3.42Å; T148-F247 HydrophobicContact CG2-CE2 4.39Å; T148-F247 HydrophobicContact CG2-CG 3.93Å; T148-F247 HydrophobicContact CG2-CZ 3.94Å; L159-F247 HydrophobicContact CD2-CE1 4.26Å; T161-F247 HydrophobicContact CG2-CE1 3.87Å; T161-F247 HydrophobicContact CG2-CZ 4.3Å; T161-F247 WeakPolarHBondContact OG1-CZ 3.28Å; Q243-F247 VanDerWaalsContact O-CD2 3.24Å; Q243-F247 WeakPolarHBondContact O-CD2 3.41Å; Q243-F247 WeakPolarHBondContact O-CG 3.26Å; Q243-F247 PolarHBondContact O-N 2.87Å; Q243-F247 VanDerWaalsContact OE1-CZ 3.31Å; E244-F247 PolarHBondContact O-N 3.29Å; F247-M250 HydrophobicContact CD1-CE 4.14Å; F247-K251 WeakPolarHBondContact O-CB 3.45Å; F247-K251 VanDerWaalsContact O-CG 3.3Å; F247-K251 WeakPolarHBondContact O-CG 3.5Å; F247-K251 PolarHBondContact O-N 3.42Å
248G94.2Very high90.9Very high30 Ų3054 Ų5431%0.30928%0.279SS..Hα-helixtrans-58.4-56.4173.600000110.9E244 S245 F246 M250 K251 D252E244-G248 PolarHBondContact O-N 2.95Å; S245-G248 PolarHBondContact O-N 3.19Å; F246-G248 VanDerWaalsContact C-N 3.32Å; F246-G248 PolarHBondContact O-N 2.83Å; G248-M250 VanDerWaalsContact C-N 3.35Å; G248-M250 PolarHBondContact O-N 3.24Å; G248-K251 PolarHBondContact O-N 2.9Å; G248-K251 VanDerWaalsContact O-N 3.14Å; G248-D252 VanDerWaalsContact O-CG 3.29Å; G248-D252 PolarHBondContact O-N 3.4Å
249H94.3Very high92Very high74 Ų7450.9 Ų50.934%0.34328%0.281SS..Hα-helixtrans-58.4-44.3178-72.3-50.6000113.2S245 F246 K251 D252 E253 R282S245-H249 PolarHBondContact O-CD2 2.92Å; S245-H249 PolarHBondContact O-N 3.35Å; F246-H249 PolarHBondContact O-N 2.58Å; H249-K251 VanDerWaalsContact C-N 3.3Å; H249-K251 PolarHBondContact O-N 2.74Å; H249-D252 PolarHBondContact O-N 2.63Å; H249-E253 WeakPolarHBondContact O-CB 3.41Å; H249-E253 WeakPolarHBondContact O-CG 3.49Å; H249-E253 PolarHBondContact O-N 3.19Å; H249-R282 PolarHBondContact ND1-NH2 3.37Å
250M97.8Very high92.8Very high2 Ų256.4 Ų56.41%0.0131%0.311CS..Hα-helixtrans-56.7-45.7176.5-176.1-172.676.500111.9T148 I150 L159 F246 F247 G248 L254 I271 W274 M275T148-M250 HydrophobicContact CG2-CE 4Å; I150-M250 HydrophobicContact CD1-CE 4.35Å; L159-M250 HydrophobicContact CD2-CE 3.73Å; L159-M250 HydrophobicContact CD2-SD 3.62Å; F246-M250 WeakPolarHBondContact O-CB 3.43Å; F246-M250 PolarHBondContact O-N 2.84Å; F247-M250 HydrophobicContact CD1-CE 4.14Å; G248-M250 VanDerWaalsContact C-N 3.35Å; G248-M250 PolarHBondContact O-N 3.24Å; M250-L254 HydrophobicContact CG-CD1 3.78Å; M250-L254 VanDerWaalsContact O-CB 3.23Å; M250-L254 WeakPolarHBondContact O-CB 3.22Å; M250-L254 WeakPolarHBondContact O-CG 3.42Å; M250-L254 PolarHBondContact O-N 3.38Å; M250-I271 HydrophobicContact CE-CD1 4.21Å; M250-I271 HydrophobicContact CG-CD1 4.45Å; M250-I271 HydrophobicContact SD-CD1 3.79Å; M250-W274 HydrophobicContact CB-CD2 4.25Å; M250-W274 HydrophobicContact CB-CE3 4.09Å; M250-W274 HydrophobicContact CB-CH2 3.42Å; M250-W274 VanDerWaalsContact CB-CH2 3.42Å; M250-W274 HydrophobicContact CB-CZ2 3.61Å; M250-W274 HydrophobicContact CB-CZ3 3.68Å; M250-W274 HydrophobicContact CG-CD2 3.74Å; M250-W274 HydrophobicContact CG-CE3 3.54Å; M250-W274 HydrophobicContact CG-CH2 3.87Å; M250-W274 HydrophobicContact CG-CZ2 4.07Å; M250-W274 HydrophobicContact CG-CZ3 3.6Å; M250-W274 HydrophobicContact SD-CE3 4.09Å; M250-W274 HydrophobicContact SD-CZ3 4.04Å; M250-M275 HydrophobicContact SD-CE 3.97Å
251K95Very high93.5Very high71 Ų7156.7 Ų56.731%0.30931%0.311SS..Hα-helixtrans-71.2-35.6-178.7-72.7179-173-173.50112.3T148 Y149 F247 G248 H249 A255T148-K251 VanDerWaalsContact OG1-CE 3.29Å; T148-K251 WeakPolarHBondContact OG1-CE 3.34Å; T148-K251 PolarHBondContact OG1-NZ 2.68Å; Y149-K251 PolarHBondContact O-NZ 3.48Å; F247-K251 WeakPolarHBondContact O-CB 3.45Å; F247-K251 VanDerWaalsContact O-CG 3.3Å; F247-K251 WeakPolarHBondContact O-CG 3.5Å; F247-K251 PolarHBondContact O-N 3.42Å; G248-K251 PolarHBondContact O-N 2.9Å; G248-K251 VanDerWaalsContact O-N 3.14Å; H249-K251 VanDerWaalsContact C-N 3.3Å; H249-K251 PolarHBondContact O-N 2.74Å; K251-A255 WeakPolarHBondContact O-CA 3.43Å; K251-A255 WeakPolarHBondContact O-CB 3.46Å; K251-A255 PolarHBondContact O-N 3.44Å
252D96Very high93.8Very high119 Ų11959.6 Ų59.664%0.63633%0.325SS*.Hα-helixtrans-66.7-45.6176.5-68.7-17.3000111G248 H249 L254 A255G248-D252 VanDerWaalsContact O-CG 3.29Å; G248-D252 PolarHBondContact O-N 3.4Å; H249-D252 PolarHBondContact O-N 2.63Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 2.66Å; D252-A255 WeakPolarHBondContact O-CB 3.48Å; D252-A255 PolarHBondContact O-N 3.24Å
253E94.4Very high94Very high78 Ų7861.1 Ų61.136%0.36434%0.336SS..Hα-helixtrans-72.2-26.6-179.8-69.7170.1-15700112.6H249 W274 R282H249-E253 WeakPolarHBondContact O-CB 3.41Å; H249-E253 WeakPolarHBondContact O-CG 3.49Å; H249-E253 PolarHBondContact O-N 3.19Å; E253-W274 PolarHBondContact OE2-NE1 2.96Å; E253-R282 IonicContact OE1-CZ 2.7Å; E253-R282 IonicContact OE1-NE 3.83Å; E253-R282 PolarHBondContact OE1-NE 3.35Å; E253-R282 IonicContact OE1-NH2 3.01Å; E253-R282 PolarHBondContact OE1-NH2 3.46Å; E253-R282 IonicContact OE2-NE 2.76Å; E253-R282 PolarHBondContact OE2-NE 3.03Å
254L96.5Very high94.2Very high2 Ų262.9 Ų62.91%0.0134%0.344CS..THydrogen-bonded Turntrans-93.22174.1-63.7175.6000113.5M250 D252 E256 K257 I258 W261 I271 W274M250-L254 HydrophobicContact CG-CD1 3.78Å; M250-L254 VanDerWaalsContact O-CB 3.23Å; M250-L254 WeakPolarHBondContact O-CB 3.22Å; M250-L254 WeakPolarHBondContact O-CG 3.42Å; M250-L254 PolarHBondContact O-N 3.38Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 2.66Å; L254-E256 PolarHBondContact O-N 3.47Å; L254-E256 VanDerWaalsContact O-N 3.14Å; L254-K257 HydrophobicContact CD2-CD 3.82Å; L254-K257 PolarHBondContact O-N 2.94Å; L254-I258 HydrophobicContact CB-CD1 4.43Å; L254-I258 HydrophobicContact CB-CG1 4.4Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.96Å; L254-W261 HydrophobicContact CB-CH2 4.3Å; L254-W261 HydrophobicContact CB-CZ2 4.45Å; L254-W261 HydrophobicContact CD1-CH2 4.19Å; L254-W261 HydrophobicContact CD1-CZ2 4.45Å; L254-I271 HydrophobicContact CD1-CD1 3.56Å; L254-W274 HydrophobicContact CD1-CB 4.26Å; L254-W274 HydrophobicContact CD1-CG 4.23Å; L254-W274 HydrophobicContact CD2-CB 4.1Å; L254-W274 HydrophobicContact CD2-CG 4.23Å; L254-W274 HydrophobicContact CG-CB 4.48Å; L254-W274 HydrophobicContact CG-CG 4.23Å
255A94.1Very high94.6Very high51 Ų5160.8 Ų60.842%0.42134%0.342SS..THydrogen-bonded Turntrans-55.8-36.7-172.200000113.3K251 D252 P259K251-A255 WeakPolarHBondContact O-CA 3.43Å; K251-A255 WeakPolarHBondContact O-CB 3.46Å; K251-A255 PolarHBondContact O-N 3.44Å; D252-A255 WeakPolarHBondContact O-CB 3.48Å; D252-A255 PolarHBondContact O-N 3.24Å; A255-P259 WeakPolarHBondContact O-CD 3.47Å
256E92.5Very high94.8Very high172 Ų17259.2 Ų59.280%0.80433%0.329SS*.THydrogen-bonded Turntrans-76.2-27177.9-61.8-173.7169.400113.2L254 N260L254-E256 PolarHBondContact O-N 3.47Å; L254-E256 VanDerWaalsContact O-N 3.14Å; E256-N260 PolarHBondContact O-ND2 3.48Å
257K93.4Very high94.9Very high84 Ų8459 Ų5937%0.36533%0.328SS..THydrogen-bonded Turntrans-80.4-36.6178.3-63.9-175.3-176.2175.40111.4L254 N260 W261 D273L254-K257 HydrophobicContact CD2-CD 3.82Å; L254-K257 PolarHBondContact O-N 2.94Å; K257-N260 WeakPolarHBondContact O-CB 3.36Å; K257-N260 PolarHBondContact O-N 3.22Å; K257-W261 HydrophobicContact CB-CZ2 4.01Å; K257-W261 PolarHBondContact O-N 3.42Å; K257-D273 IonicContact NZ-OD2 3.42Å; K257-D273 PolarHBondContact NZ-OD2 3.13Å
258I91Very high95Very high37 Ų3762.4 Ų62.419%0.1934%0.344CS..G310 helixtrans-50.8-49.7-173.6-73.7164.9000113.7P151 L254 N260 W261P151-I258 HydrophobicContact CG-CG2 3.72Å; L254-I258 HydrophobicContact CB-CD1 4.43Å; L254-I258 HydrophobicContact CB-CG1 4.4Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.96Å; I258-N260 PolarHBondContact O-N 2.87Å; I258-W261 HydrophobicContact CB-CE3 4.27Å; I258-W261 HydrophobicContact CB-CZ3 4.13Å; I258-W261 HydrophobicContact CG1-CE3 4.02Å; I258-W261 HydrophobicContact CG1-CH2 3.52Å; I258-W261 HydrophobicContact CG1-CZ2 4.26Å; I258-W261 HydrophobicContact CG1-CZ3 3.39Å; I258-W261 PolarHBondContact O-N 3.2Å
259P91.1Very high95.1Very high102 Ų10268.8 Ų68.866%0.66236%0.359SS*.G310 helixtrans-66.3-19.4-178.8-22.734.7000114.3A255A255-P259 WeakPolarHBondContact O-CD 3.47Å
260N93.3Very high95.3Very high121 Ų12166.1 Ų66.165%0.64735%0.348SS*.G310 helixtrans-92.9-7.8-176.2-63.4-44.2000112.9E256 K257 I258 T262E256-N260 PolarHBondContact O-ND2 3.48Å; K257-N260 WeakPolarHBondContact O-CB 3.36Å; K257-N260 PolarHBondContact O-N 3.22Å; I258-N260 PolarHBondContact O-N 2.87Å; N260-T262 PolarHBondContact O-N 3.1Å
261W95.5Very high95.3Very high12 Ų1266 Ų665%0.04535%0.348CS..  trans-72.4122.2176.9-62.9-26000110.8I150 L152 N153 L254 K257 I258 D266 V267 S270I150-W261 HydrophobicContact CG2-CE3 4.24Å; I150-W261 HydrophobicContact CG2-CH2 4.37Å; I150-W261 HydrophobicContact CG2-CZ3 3.48Å; I150-W261 VanDerWaalsContact CG2-CZ3 3.48Å; L152-W261 HydrophobicContact CD1-CB 3.81Å; N153-W261 PolarHBondContact OD1-O 3.05Å; L254-W261 HydrophobicContact CB-CH2 4.3Å; L254-W261 HydrophobicContact CB-CZ2 4.45Å; L254-W261 HydrophobicContact CD1-CH2 4.19Å; L254-W261 HydrophobicContact CD1-CZ2 4.45Å; K257-W261 HydrophobicContact CB-CZ2 4.01Å; K257-W261 PolarHBondContact O-N 3.42Å; I258-W261 HydrophobicContact CB-CE3 4.27Å; I258-W261 HydrophobicContact CB-CZ3 4.13Å; I258-W261 HydrophobicContact CG1-CE3 4.02Å; I258-W261 HydrophobicContact CG1-CH2 3.52Å; I258-W261 HydrophobicContact CG1-CZ2 4.26Å; I258-W261 HydrophobicContact CG1-CZ3 3.39Å; I258-W261 PolarHBondContact O-N 3.2Å; W261-D266 HydrophobicContact CB-CB 4.06Å; W261-D266 HydrophobicContact CG-CB 4.08Å; W261-V267 HydrophobicContact CB-CG2 4.13Å; W261-V267 HydrophobicContact CD2-CB 4.43Å; W261-V267 HydrophobicContact CD2-CG2 3.9Å; W261-V267 HydrophobicContact CE3-CB 4.29Å; W261-V267 HydrophobicContact CE3-CG1 4.2Å; W261-V267 HydrophobicContact CE3-CG2 3.65Å; W261-V267 HydrophobicContact CG-CG2 4.14Å; W261-V267 HydrophobicContact CH2-CG1 4.39Å; W261-V267 HydrophobicContact CZ3-CG1 4.01Å; W261-V267 HydrophobicContact CZ3-CG2 4.31Å; W261-S270 VanDerWaalsContact CZ2-CB 3.45Å; W261-S270 PolarHBondContact NE1-OG 3.02Å
262T93.2Very high95.5Very high98 Ų9865.3 Ų65.360%0.60135%0.348SS*.  trans-106.2-18.8-177.864.70000112.5N153 N260 D266N153-T262 PolarHBondContact ND2-O 3.47Å; N260-T262 PolarHBondContact O-N 3.1Å; T262-D266 PolarHBondContact N-OD2 2.93Å; T262-D266 PolarHBondContact OG1-OD2 3.46Å
263C95.4Very high95.6Very high53 Ų5364 Ų6436%0.35834%0.34SS..SBendtrans-147.9166.7179.469.30000111.6A265 D266 V267C263-A265 PolarHBondContact O-N 3.07Å; C263-D266 PolarHBondContact N-OD2 3.49Å; C263-D266 VanDerWaalsContact N-OD2 3.07Å; C263-D266 WeakPolarHBondContact O-CB 3.38Å; C263-D266 PolarHBondContact O-N 3.44Å; C263-D266 VanDerWaalsContact O-N 3.08Å; C263-D266 VanDerWaalsContact SG-CG 3.54Å; C263-D266 PolarHBondContact SG-OD2 3.2Å; C263-V267 PolarHBondContact O-N 2.96Å
264F96Very high95.8Very high38 Ų3860.7 Ų60.717%0.16733%0.325CS..Hα-helixtrans-58-34.2178.9-179.4-101.9000112.7L152 C157 L175 E177 D266 V267 Q268L152-F264 HydrophobicContact CD2-CB 4.38Å; C157-F264 HydrophobicContact CB-CD2 3.98Å; C157-F264 HydrophobicContact CB-CE2 4.06Å; L175-F264 HydrophobicContact CB-CE2 3.85Å; L175-F264 HydrophobicContact CB-CZ 3.52Å; E177-F264 HydrophobicContact CG-CB 3.95Å; E177-F264 HydrophobicContact CG-CD1 4.27Å; E177-F264 HydrophobicContact CG-CD2 3.36Å; E177-F264 HydrophobicContact CG-CE2 3.82Å; E177-F264 HydrophobicContact CG-CG 3.6Å; E177-F264 HydrophobicContact CG-CZ 4.44Å; F264-D266 VanDerWaalsContact C-N 3.3Å; F264-D266 PolarHBondContact O-N 3.46Å; F264-V267 WeakPolarHBondContact O-CB 3.43Å; F264-V267 PolarHBondContact O-N 3.3Å; F264-Q268 PolarHBondContact O-N 3.1Å
265A97.5Very high95.9Very high51 Ų5160.7 Ų60.742%0.42133%0.325SS..Hα-helixtrans-64.7-30.9177.500000113.2C263 R269C263-A265 PolarHBondContact O-N 3.07Å; A265-R269 WeakPolarHBondContact O-CB 3.34Å; A265-R269 PolarHBondContact O-N 3.33Å
266D96.8Very high96.1Very high32 Ų3262.9 Ų62.917%0.17133%0.329CS..Hα-helixtrans-68.3-41.3175-60.9-37.9000111.1W261 T262 C263 F264 R269 S270W261-D266 HydrophobicContact CB-CB 4.06Å; W261-D266 HydrophobicContact CG-CB 4.08Å; T262-D266 PolarHBondContact N-OD2 2.93Å; T262-D266 PolarHBondContact OG1-OD2 3.46Å; C263-D266 PolarHBondContact N-OD2 3.49Å; C263-D266 VanDerWaalsContact N-OD2 3.07Å; C263-D266 WeakPolarHBondContact O-CB 3.38Å; C263-D266 PolarHBondContact O-N 3.44Å; C263-D266 VanDerWaalsContact O-N 3.08Å; C263-D266 VanDerWaalsContact SG-CG 3.54Å; C263-D266 PolarHBondContact SG-OD2 3.2Å; F264-D266 VanDerWaalsContact C-N 3.3Å; F264-D266 PolarHBondContact O-N 3.46Å; D266-R269 IonicContact OD1-NH1 2.76Å; D266-S270 WeakPolarHBondContact O-CB 2.86Å; D266-S270 PolarHBondContact O-N 3.4Å; D266-S270 VanDerWaalsContact O-N 3.11Å; D266-S270 PolarHBondContact O-OG 3.49Å
267V97.9Very high96.4Very high0 Ų059.6 Ų59.60%031%0.31CS..Hα-helixtrans-61.7-50.8174-172.80000109.6I150 L152 L175 W261 C263 F264 R269 S270 I271I150-V267 HydrophobicContact CD1-CG1 4.37Å; I150-V267 HydrophobicContact CG2-CG1 3.99Å; L152-V267 HydrophobicContact CD1-CG2 3.85Å; L152-V267 HydrophobicContact CD2-CG2 4.01Å; L152-V267 HydrophobicContact CG-CG2 4.36Å; L175-V267 HydrophobicContact CD1-CG1 4.41Å; L175-V267 HydrophobicContact CD2-CG1 4.37Å; W261-V267 HydrophobicContact CB-CG2 4.13Å; W261-V267 HydrophobicContact CD2-CB 4.43Å; W261-V267 HydrophobicContact CD2-CG2 3.9Å; W261-V267 HydrophobicContact CE3-CB 4.29Å; W261-V267 HydrophobicContact CE3-CG1 4.2Å; W261-V267 HydrophobicContact CE3-CG2 3.65Å; W261-V267 HydrophobicContact CG-CG2 4.14Å; W261-V267 HydrophobicContact CH2-CG1 4.39Å; W261-V267 HydrophobicContact CZ3-CG1 4.01Å; W261-V267 HydrophobicContact CZ3-CG2 4.31Å; C263-V267 PolarHBondContact O-N 2.96Å; F264-V267 WeakPolarHBondContact O-CB 3.43Å; F264-V267 PolarHBondContact O-N 3.3Å; V267-R269 PolarHBondContact O-N 3.29Å; V267-S270 PolarHBondContact O-N 3.34Å; V267-S270 VanDerWaalsContact O-N 3.16Å; V267-I271 HydrophobicContact CG1-CG1 3.96Å; V267-I271 WeakPolarHBondContact O-CB 3.38Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 3.39Å
268Q98Very high96.6Very high83 Ų8355.9 Ų55.939%0.38829%0.294SS..Hα-helixtrans-57.6-49.8-179.3-177.1171.4-12.400111.8L175 F264 S270 I271 D272L175-Q268 VanDerWaalsContact CD1-CA 3.49Å; L175-Q268 HydrophobicContact CD1-CB 3.96Å; L175-Q268 HydrophobicContact CD1-CG 4.23Å; F264-Q268 PolarHBondContact O-N 3.1Å; Q268-S270 VanDerWaalsContact C-N 3.28Å; Q268-S270 PolarHBondContact O-N 2.94Å; Q268-I271 PolarHBondContact O-N 2.88Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.25Å; Q268-D272 WeakPolarHBondContact O-CB 3.49Å; Q268-D272 PolarHBondContact O-N 3.12Å
269R98.1Very high96.9Very high165 Ų16555.1 Ų55.162%0.62329%0.29SS*.Hα-helixtrans-56.8-43177.2-171.7-173.9-58.5129.66.2112.3A265 D266 V267 D273A265-R269 WeakPolarHBondContact O-CB 3.34Å; A265-R269 PolarHBondContact O-N 3.33Å; D266-R269 IonicContact OD1-NH1 2.76Å; V267-R269 PolarHBondContact O-N 3.29Å; R269-D273 VanDerWaalsContact O-CB 3.25Å; R269-D273 WeakPolarHBondContact O-CB 3.47Å; R269-D273 PolarHBondContact O-N 2.84Å; R269-D273 VanDerWaalsContact O-N 3.1Å
270S98Very high97.2Very high17 Ų1752.7 Ų52.712%0.11927%0.272CS..Hα-helixtrans-73.2-35.3-177-560000112.8W261 D266 V267 Q268 W274W261-S270 VanDerWaalsContact CZ2-CB 3.45Å; W261-S270 PolarHBondContact NE1-OG 3.02Å; D266-S270 WeakPolarHBondContact O-CB 2.86Å; D266-S270 PolarHBondContact O-N 3.4Å; D266-S270 VanDerWaalsContact O-N 3.11Å; D266-S270 PolarHBondContact O-OG 3.49Å; V267-S270 PolarHBondContact O-N 3.34Å; V267-S270 VanDerWaalsContact O-N 3.16Å; Q268-S270 VanDerWaalsContact C-N 3.28Å; Q268-S270 PolarHBondContact O-N 2.94Å; S270-W274 VanDerWaalsContact O-CB 3.29Å; S270-W274 WeakPolarHBondContact O-CB 3.48Å; S270-W274 PolarHBondContact O-N 3.43Å
271I98.3Very high97.3Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-73.1-42.5175.8-66.8-69.1000110.1I150 L159 Y173 L175 M250 L254 V267 Q268 D273 W274 M275I150-I271 HydrophobicContact CD1-CD1 3.89Å; I150-I271 HydrophobicContact CD1-CG1 4.25Å; L159-I271 HydrophobicContact CD1-CG2 4.16Å; L159-I271 HydrophobicContact CD2-CD1 4.44Å; L159-I271 HydrophobicContact CD2-CG2 4.4Å; Y173-I271 HydrophobicContact CD2-CG2 4.25Å; Y173-I271 HydrophobicContact CE2-CG2 4.21Å; L175-I271 HydrophobicContact CD1-CB 3.9Å; L175-I271 HydrophobicContact CD1-CG1 4.12Å; L175-I271 HydrophobicContact CD1-CG2 4.04Å; L175-I271 HydrophobicContact CG-CG2 4.45Å; M250-I271 HydrophobicContact CE-CD1 4.21Å; M250-I271 HydrophobicContact CG-CD1 4.45Å; M250-I271 HydrophobicContact SD-CD1 3.79Å; L254-I271 HydrophobicContact CD1-CD1 3.56Å; V267-I271 HydrophobicContact CG1-CG1 3.96Å; V267-I271 WeakPolarHBondContact O-CB 3.38Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 3.39Å; Q268-I271 PolarHBondContact O-N 2.88Å; I271-D273 PolarHBondContact O-N 3.33Å; I271-W274 PolarHBondContact O-N 3Å; I271-M275 HydrophobicContact CG2-CE 3.88Å; I271-M275 HydrophobicContact CG2-CG 4Å; I271-M275 WeakPolarHBondContact O-CB 3.47Å; I271-M275 WeakPolarHBondContact O-CG 3.2Å; I271-M275 PolarHBondContact O-N 2.95Å
272D98.4Very high97.3Very high57 Ų5751.5 Ų51.531%0.30526%0.264SS..Hα-helixtrans-59.6-47.2177.5-67.6-8.5000110.8Y173 Q268 M275 D276Y173-D272 VanDerWaalsContact CE2-OD1 3.28Å; Y173-D272 WeakPolarHBondContact CE2-OD1 3.04Å; Y173-D272 WeakPolarHBondContact OH-CA 3.35Å; Y173-D272 PolarHBondContact OH-OD1 3.38Å; Y173-D272 VanDerWaalsContact OH-OD1 3.12Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.25Å; Q268-D272 WeakPolarHBondContact O-CB 3.49Å; Q268-D272 PolarHBondContact O-N 3.12Å; D272-M275 PolarHBondContact O-N 3.04Å; D272-D276 PolarHBondContact O-N 3.15Å; D272-D276 VanDerWaalsContact O-N 3.12Å
273D98.4Very high97.2Very high91 Ų9153.3 Ų53.349%0.48726%0.261SS..Hα-helixtrans-56.5-48.6172.7176.366.1000112K257 R269 I271 M275 D276 Y277K257-D273 IonicContact NZ-OD2 3.42Å; K257-D273 PolarHBondContact NZ-OD2 3.13Å; R269-D273 VanDerWaalsContact O-CB 3.25Å; R269-D273 WeakPolarHBondContact O-CB 3.47Å; R269-D273 PolarHBondContact O-N 2.84Å; R269-D273 VanDerWaalsContact O-N 3.1Å; I271-D273 PolarHBondContact O-N 3.33Å; D273-M275 PolarHBondContact O-N 2.7Å; D273-D276 PolarHBondContact O-N 2.71Å; D273-Y277 PolarHBondContact O-N 3.19Å
274W98.5Very high97Very high9 Ų952.6 Ų52.63%0.03425%0.252CS..Hα-helixtrans-69.7-34.3-178.9-172.187.9000113.1F246 M250 E253 L254 S270 I271 D276 Y278F246-W274 AromaticContact CD2-CH2 3.99Å; F246-W274 HydrophobicContact CD2-CH2 3.99Å; F246-W274 HydrophobicContact CD2-CZ3 4.31Å; F246-W274 AromaticContact CE2-CH2 3.49Å; F246-W274 HydrophobicContact CE2-CH2 3.49Å; F246-W274 VanDerWaalsContact CE2-CH2 3.49Å; F246-W274 AromaticContact CE2-CZ3 3.37Å; F246-W274 HydrophobicContact CE2-CZ3 3.37Å; F246-W274 HydrophobicContact CZ-CH2 4.01Å; F246-W274 AromaticContact CZ-CZ3 3.51Å; F246-W274 HydrophobicContact CZ-CZ3 3.51Å; M250-W274 HydrophobicContact CB-CD2 4.25Å; M250-W274 HydrophobicContact CB-CE3 4.09Å; M250-W274 HydrophobicContact CB-CH2 3.42Å; M250-W274 VanDerWaalsContact CB-CH2 3.42Å; M250-W274 HydrophobicContact CB-CZ2 3.61Å; M250-W274 HydrophobicContact CB-CZ3 3.68Å; M250-W274 HydrophobicContact CG-CD2 3.74Å; M250-W274 HydrophobicContact CG-CE3 3.54Å; M250-W274 HydrophobicContact CG-CH2 3.87Å; M250-W274 HydrophobicContact CG-CZ2 4.07Å; M250-W274 HydrophobicContact CG-CZ3 3.6Å; M250-W274 HydrophobicContact SD-CE3 4.09Å; M250-W274 HydrophobicContact SD-CZ3 4.04Å; E253-W274 PolarHBondContact OE2-NE1 2.96Å; L254-W274 HydrophobicContact CD1-CB 4.26Å; L254-W274 HydrophobicContact CD1-CG 4.23Å; L254-W274 HydrophobicContact CD2-CB 4.1Å; L254-W274 HydrophobicContact CD2-CG 4.23Å; L254-W274 HydrophobicContact CG-CB 4.48Å; L254-W274 HydrophobicContact CG-CG 4.23Å; S270-W274 VanDerWaalsContact O-CB 3.29Å; S270-W274 WeakPolarHBondContact O-CB 3.48Å; S270-W274 PolarHBondContact O-N 3.43Å; I271-W274 PolarHBondContact O-N 3Å; W274-D276 VanDerWaalsContact C-N 3.35Å; W274-Y278 AromaticContact CH2-CD2 3.35Å; W274-Y278 HydrophobicContact CH2-CD2 3.35Å; W274-Y278 HydrophobicContact CH2-CE2 4.15Å; W274-Y278 AromaticContact CH2-CG 3.76Å; W274-Y278 HydrophobicContact CH2-CG 3.76Å; W274-Y278 AromaticContact CZ2-CD2 3.77Å; W274-Y278 HydrophobicContact CZ2-CD2 3.77Å; W274-Y278 HydrophobicContact CZ2-CG 4.33Å; W274-Y278 HydrophobicContact CZ3-CD2 4.01Å; W274-Y278 AromaticContact CZ3-CG 3.92Å; W274-Y278 HydrophobicContact CZ3-CG 3.92Å; W274-Y278 WeakPolarHBondContact O-CB 3.43Å; W274-Y278 PolarHBondContact O-N 3.17Å
275M98.3Very high96.6Very high2 Ų260 Ų601%0.0128%0.279CS..Hα-helixtrans-68.1-36.8177.3-69.8-72175.700111.7L159 T161 V170 Y173 F246 M250 I271 D272 D273 N279L159-M275 HydrophobicContact CD1-CE 4.27Å; L159-M275 HydrophobicContact CD2-CE 3.68Å; T161-M275 HydrophobicContact CG2-CE 4.04Å; V170-M275 HydrophobicContact CB-SD 4.21Å; V170-M275 HydrophobicContact CG1-SD 3.85Å; V170-M275 HydrophobicContact CG2-SD 3.96Å; Y173-M275 HydrophobicContact CD1-CB 4.09Å; Y173-M275 HydrophobicContact CD1-CG 3.74Å; Y173-M275 HydrophobicContact CD1-SD 3.95Å; Y173-M275 HydrophobicContact CD2-CG 4.22Å; Y173-M275 HydrophobicContact CE1-CB 3.5Å; Y173-M275 VanDerWaalsContact CE1-CB 3.5Å; Y173-M275 HydrophobicContact CE1-CG 3.56Å; Y173-M275 HydrophobicContact CE1-SD 4.34Å; Y173-M275 HydrophobicContact CE2-CG 4.07Å; Y173-M275 HydrophobicContact CG-CE 4.21Å; Y173-M275 HydrophobicContact CG-CG 4.07Å; Y173-M275 HydrophobicContact CG-SD 4.21Å; F246-M275 HydrophobicContact CE1-CE 4.36Å; F246-M275 HydrophobicContact CZ-CE 3.81Å; F246-M275 HydrophobicContact CZ-SD 3.87Å; M250-M275 HydrophobicContact SD-CE 3.97Å; I271-M275 HydrophobicContact CG2-CE 3.88Å; I271-M275 HydrophobicContact CG2-CG 4Å; I271-M275 WeakPolarHBondContact O-CB 3.47Å; I271-M275 WeakPolarHBondContact O-CG 3.2Å; I271-M275 PolarHBondContact O-N 2.95Å; D272-M275 PolarHBondContact O-N 3.04Å; D273-M275 PolarHBondContact O-N 2.7Å; M275-N279 WeakPolarHBondContact O-CB 3.49Å; M275-N279 PolarHBondContact O-N 3.3Å; M275-N279 VanDerWaalsContact O-N 3.13Å
276D98.2Very high96.2Very high97 Ų9764.2 Ų64.252%0.51930%0.295SS..Hα-helixtrans-64.5-53.3173-171.460000110.8D272 D273 W274 Y278 N279 N280D272-D276 PolarHBondContact O-N 3.15Å; D272-D276 VanDerWaalsContact O-N 3.12Å; D273-D276 PolarHBondContact O-N 2.71Å; W274-D276 VanDerWaalsContact C-N 3.35Å; D276-Y278 VanDerWaalsContact C-N 3.33Å; D276-Y278 PolarHBondContact O-N 3.1Å; D276-N279 PolarHBondContact O-N 3.41Å; D276-N280 WeakPolarHBondContact O-CB 3.35Å; D276-N280 PolarHBondContact O-N 2.9Å; D276-N280 PolarHBondContact O-ND2 3.35Å; D276-N280 VanDerWaalsContact O-ND2 3.17Å; D276-N280 PolarHBondContact OD1-ND2 3.05Å
277Y98.4Very high96Very high102 Ų10263 Ų6340%0.429%0.288SS..Hα-helixtrans-53.3-48.8173.8167.3-107.7000112.1D273 N279 N280 D281 R282D273-Y277 PolarHBondContact O-N 3.19Å; Y277-N279 VanDerWaalsContact C-N 3.35Å; Y277-N279 PolarHBondContact O-N 2.98Å; Y277-N280 PolarHBondContact O-N 3.42Å; Y277-D281 HydrophobicContact CD2-CB 3.69Å; Y277-D281 HydrophobicContact CE2-CB 3.95Å; Y277-D281 CarbonylContact O-C 3.53Å; Y277-D281 WeakPolarHBondContact O-CA 3.3Å; Y277-D281 PolarHBondContact O-N 2.84Å; Y277-R282 HydrophobicContact CD1-CB 4.22Å; Y277-R282 HydrophobicContact CE1-CB 3.77Å; Y277-R282 HydrophobicContact CE1-CG 3.81Å; Y277-R282 HydrophobicContact CE2-CB 4.43Å; Y277-R282 PolarHBondContact O-N 3.16Å
278Y98.2Very high95.8Very high7 Ų764.9 Ų64.93%0.02730%0.303CS..Hα-helixtrans-58.4-46.2-178173.7-88000111.7L163 K168 V170 F246 W274 D276 R282 Q284 P292L163-Y278 HydrophobicContact CD1-CE1 4.47Å; K168-Y278 WeakPolarHBondContact CB-OH 3.44Å; K168-Y278 WeakPolarHBondContact O-CE1 3.17Å; K168-Y278 PolarHBondContact O-OH 3.27Å; V170-Y278 HydrophobicContact CG2-CD1 3.75Å; V170-Y278 HydrophobicContact CG2-CE1 3.72Å; F246-Y278 HydrophobicContact CD2-CD2 4.17Å; F246-Y278 HydrophobicContact CD2-CE1 4.04Å; F246-Y278 AromaticContact CD2-CE2 3.66Å; F246-Y278 HydrophobicContact CD2-CE2 3.66Å; F246-Y278 AromaticContact CD2-CZ 3.61Å; F246-Y278 AromaticContact CE2-CD1 3.93Å; F246-Y278 HydrophobicContact CE2-CD1 3.93Å; F246-Y278 AromaticContact CE2-CD2 4Å; F246-Y278 HydrophobicContact CE2-CD2 4Å; F246-Y278 AromaticContact CE2-CE1 3.84Å; F246-Y278 HydrophobicContact CE2-CE1 3.84Å; F246-Y278 AromaticContact CE2-CE2 3.92Å; F246-Y278 HydrophobicContact CE2-CE2 3.92Å; F246-Y278 HydrophobicContact CE2-CG 4.03Å; F246-Y278 AromaticContact CE2-CZ 3.86Å; W274-Y278 AromaticContact CH2-CD2 3.35Å; W274-Y278 HydrophobicContact CH2-CD2 3.35Å; W274-Y278 HydrophobicContact CH2-CE2 4.15Å; W274-Y278 AromaticContact CH2-CG 3.76Å; W274-Y278 HydrophobicContact CH2-CG 3.76Å; W274-Y278 AromaticContact CZ2-CD2 3.77Å; W274-Y278 HydrophobicContact CZ2-CD2 3.77Å; W274-Y278 HydrophobicContact CZ2-CG 4.33Å; W274-Y278 HydrophobicContact CZ3-CD2 4.01Å; W274-Y278 AromaticContact CZ3-CG 3.92Å; W274-Y278 HydrophobicContact CZ3-CG 3.92Å; W274-Y278 WeakPolarHBondContact O-CB 3.43Å; W274-Y278 PolarHBondContact O-N 3.17Å; D276-Y278 VanDerWaalsContact C-N 3.33Å; D276-Y278 PolarHBondContact O-N 3.1Å; Y278-R282 VanDerWaalsContact CD2-CD 3.49Å; Y278-Q284 PolarHBondContact OH-NE2 2.91Å; Y278-P292 HydrophobicContact CD1-CG 4.31Å; Y278-P292 HydrophobicContact CE1-CG 3.79Å; Y278-P292 WeakPolarHBondContact O-CD 3.4Å; Y278-P292 WeakPolarHBondContact O-CG 3.45Å
279N98.1Very high95.5Very high20 Ų2066.5 Ų66.511%0.10731%0.309CS..Hα-helixtrans-77.6-31.7-175.9-88-18.7000113.3V170 M275 D276 Y277 S291 N293V170-N279 PolarHBondContact N-OD1 3.08Å; V170-N279 PolarHBondContact O-ND2 3.18Å; M275-N279 WeakPolarHBondContact O-CB 3.49Å; M275-N279 PolarHBondContact O-N 3.3Å; M275-N279 VanDerWaalsContact O-N 3.13Å; D276-N279 PolarHBondContact O-N 3.41Å; Y277-N279 VanDerWaalsContact C-N 3.35Å; Y277-N279 PolarHBondContact O-N 2.98Å; N279-S291 PolarHBondContact O-OG 3.48Å; N279-N293 VanDerWaalsContact O-CB 3.23Å; N279-N293 WeakPolarHBondContact O-CB 3.39Å; N279-N293 PolarHBondContact O-N 3.47Å
280N96.6Very high95.3Very high52 Ų5258.9 Ų58.928%0.27828%0.281SS..Hα-helixtrans-104.2-32.6-170.5-67.8-53.6000114.3D276 Y277 S291 N293D276-N280 WeakPolarHBondContact O-CB 3.35Å; D276-N280 PolarHBondContact O-N 2.9Å; D276-N280 PolarHBondContact O-ND2 3.35Å; D276-N280 VanDerWaalsContact O-ND2 3.17Å; D276-N280 PolarHBondContact OD1-ND2 3.05Å; Y277-N280 PolarHBondContact O-N 3.42Å; N280-S291 WeakPolarHBondContact O-CB 3.33Å; N280-S291 PolarHBondContact O-OG 3.46Å; N280-N293 PolarHBondContact OD1-ND2 3.02Å
281D95.9Very high95.2Very high78 Ų7858.1 Ų58.142%0.41728%0.276SS..THydrogen-bonded Turntrans-130.4-16.1-165.6-57.8-80.5000113.8Y277 Y283Y277-D281 HydrophobicContact CD2-CB 3.69Å; Y277-D281 HydrophobicContact CE2-CB 3.95Å; Y277-D281 CarbonylContact O-C 3.53Å; Y277-D281 WeakPolarHBondContact O-CA 3.3Å; Y277-D281 PolarHBondContact O-N 2.84Å; D281-Y283 VanDerWaalsContact C-N 3.33Å; D281-Y283 WeakPolarHBondContact O-CD2 3.4Å; D281-Y283 WeakPolarHBondContact O-CE2 3.49Å; D281-Y283 PolarHBondContact O-N 2.95Å
282R94.7Very high95.2Very high29 Ų2958.1 Ų58.111%0.10928%0.276CS..  trans-80.481.7178.7-165.1-174.6-177.5-82.4-3.8111.1H249 E253 Y277 Y278 Q284H249-R282 PolarHBondContact ND1-NH2 3.37Å; E253-R282 IonicContact OE1-CZ 2.7Å; E253-R282 IonicContact OE1-NE 3.83Å; E253-R282 PolarHBondContact OE1-NE 3.35Å; E253-R282 IonicContact OE1-NH2 3.01Å; E253-R282 PolarHBondContact OE1-NH2 3.46Å; E253-R282 IonicContact OE2-NE 2.76Å; E253-R282 PolarHBondContact OE2-NE 3.03Å; Y277-R282 HydrophobicContact CD1-CB 4.22Å; Y277-R282 HydrophobicContact CE1-CB 3.77Å; Y277-R282 HydrophobicContact CE1-CG 3.81Å; Y277-R282 HydrophobicContact CE2-CB 4.43Å; Y277-R282 PolarHBondContact O-N 3.16Å; Y278-R282 VanDerWaalsContact CD2-CD 3.49Å; R282-Q284 WeakPolarHBondContact O-CG 3.16Å
283Y92.3Very high95.1Very high137 Ų13757.1 Ų57.154%0.53727%0.27SS..  trans-58.5137.1176.9-60.1-72.4000112.5D281 K289 E294D281-Y283 VanDerWaalsContact C-N 3.33Å; D281-Y283 WeakPolarHBondContact O-CD2 3.4Å; D281-Y283 WeakPolarHBondContact O-CE2 3.49Å; D281-Y283 PolarHBondContact O-N 2.95Å; Y283-K289 VanDerWaalsContact CD1-O 3.25Å; Y283-K289 WeakPolarHBondContact CD1-O 3.22Å; Y283-E294 VanDerWaalsContact CE1-OE2 3.22Å; Y283-E294 WeakPolarHBondContact CE1-OE2 3.47Å
284Q90.6Very high95.1Very high38 Ų3854.3 Ų54.318%0.17825%0.254CS..BIsolated β-bridgetrans-125.9131.2-179.1-58.6-176.234.100110.3Y278 R282 D286 L287 K289 L290Y278-Q284 PolarHBondContact OH-NE2 2.91Å; R282-Q284 WeakPolarHBondContact O-CG 3.16Å; Q284-D286 VanDerWaalsContact C-N 3.27Å; Q284-D286 PolarHBondContact O-N 3.03Å; Q284-L287 HydrophobicContact CB-CB 4.12Å; Q284-L287 HydrophobicContact CB-CD1 3.91Å; Q284-L287 HydrophobicContact CB-CG 3.78Å; Q284-L287 HydrophobicContact CG-CD1 4.15Å; Q284-L287 PolarHBondContact O-N 3.38Å; Q284-K289 WeakPolarHBondContact O-CA 3.44Å; Q284-K289 PolarHBondContact O-N 3.17Å; Q284-K289 VanDerWaalsContact O-N 3.14Å; Q284-L290 PolarHBondContact N-O 3.06Å; Q284-L290 VanDerWaalsContact N-O 3.16Å
285W87.6Confident95Very high193 Ų19355.7 Ų55.773%0.73126%0.26SS*.THydrogen-bonded Turntrans-54.2-45.1-175.7-172.3-89.2000112.3L287 K289W285-L287 VanDerWaalsContact C-N 3.28Å; W285-L287 PolarHBondContact O-N 2.92Å; W285-K289 HydrophobicContact CE3-CG 4.5Å; W285-K289 PolarHBondContact O-N 3.14Å
286D89.7Confident94.9Very high140 Ų14058.2 Ų58.275%0.74927%0.269SS*.THydrogen-bonded Turntrans-78.4-9.8-176.4-59.4-35.8000113.6Q284 A288Q284-D286 VanDerWaalsContact C-N 3.27Å; Q284-D286 PolarHBondContact O-N 3.03Å; D286-A288 VanDerWaalsContact C-N 3.25Å; D286-A288 PolarHBondContact O-N 3.1Å
287L92.3Very high94.9Very high6 Ų660 Ų603%0.03127%0.269CS..THydrogen-bonded Turntrans-95.740.4174.4-55.1-172.6000111K168 Q284 W285 K289 L290 P292 Y295K168-L287 HydrophobicContact CB-CD1 4.08Å; K168-L287 HydrophobicContact CG-CD1 3.98Å; K168-L287 HydrophobicContact CG-CD2 3.91Å; K168-L287 HydrophobicContact CG-CG 4.48Å; Q284-L287 HydrophobicContact CB-CB 4.12Å; Q284-L287 HydrophobicContact CB-CD1 3.91Å; Q284-L287 HydrophobicContact CB-CG 3.78Å; Q284-L287 HydrophobicContact CG-CD1 4.15Å; Q284-L287 PolarHBondContact O-N 3.38Å; W285-L287 VanDerWaalsContact C-N 3.28Å; W285-L287 PolarHBondContact O-N 2.92Å; L287-K289 PolarHBondContact O-N 2.82Å; L287-K289 VanDerWaalsContact O-N 3.15Å; L287-L290 VanDerWaalsContact O-CB 3.27Å; L287-L290 WeakPolarHBondContact O-CB 3.38Å; L287-L290 PolarHBondContact O-N 3.38Å; L287-P292 HydrophobicContact CD1-CG 4.36Å; L287-Y295 HydrophobicContact CB-CD1 4Å; L287-Y295 HydrophobicContact CB-CD2 4.11Å; L287-Y295 HydrophobicContact CB-CE1 4.44Å; L287-Y295 HydrophobicContact CB-CG 3.83Å; L287-Y295 HydrophobicContact CD1-CD1 4.42Å; L287-Y295 HydrophobicContact CD2-CD1 3.75Å; L287-Y295 HydrophobicContact CD2-CE1 3.69Å; L287-Y295 HydrophobicContact CD2-CG 4.45Å; L287-Y295 HydrophobicContact CG-CD1 4.25Å; L287-Y295 VanDerWaalsContact O-CD2 3.3Å; L287-Y295 WeakPolarHBondContact O-CD2 3.35Å
288A92.3Very high94.8Very high39 Ų3958.3 Ų58.332%0.32226%0.262SS..THydrogen-bonded Turntrans53.332.3-172.400000113.3D286 L290 Y295 Y298 Y304D286-A288 VanDerWaalsContact C-N 3.25Å; D286-A288 PolarHBondContact O-N 3.1Å; A288-L290 PolarHBondContact O-N 2.86Å; A288-Y295 HydrophobicContact CB-CD2 4.38Å; A288-Y295 HydrophobicContact CB-CE2 4.25Å; A288-Y298 HydrophobicContact CB-CE1 4.45Å; A288-Y304 HydrophobicContact CB-CE2 4.07Å; A288-Y304 WeakPolarHBondContact O-CE2 3.44Å; A288-Y304 PolarHBondContact O-OH 2.73Å
289K92.1Very high94.6Very high117 Ų11761.4 Ų61.451%0.50928%0.279SS..THydrogen-bonded Turntrans62.423.7-175.3-52173.2-177.9171.60114.3Y283 Q284 W285 L287Y283-K289 VanDerWaalsContact CD1-O 3.25Å; Y283-K289 WeakPolarHBondContact CD1-O 3.22Å; Q284-K289 WeakPolarHBondContact O-CA 3.44Å; Q284-K289 PolarHBondContact O-N 3.17Å; Q284-K289 VanDerWaalsContact O-N 3.14Å; W285-K289 HydrophobicContact CE3-CG 4.5Å; W285-K289 PolarHBondContact O-N 3.14Å; L287-K289 PolarHBondContact O-N 2.82Å; L287-K289 VanDerWaalsContact O-N 3.15Å
290L95.1Very high94.3Very high6 Ų664.1 Ų64.13%0.03130%0.296CS..BIsolated β-bridgetrans-102.8161.4179.2-60.6-179.9000111.6Q284 L287 A288 E294 Y295 Y298 Y304 P305Q284-L290 PolarHBondContact N-O 3.06Å; Q284-L290 VanDerWaalsContact N-O 3.16Å; L287-L290 VanDerWaalsContact O-CB 3.27Å; L287-L290 WeakPolarHBondContact O-CB 3.38Å; L287-L290 PolarHBondContact O-N 3.38Å; A288-L290 PolarHBondContact O-N 2.86Å; L290-E294 HydrophobicContact CB-CB 3.82Å; L290-E294 HydrophobicContact CD1-CB 4.33Å; L290-E294 HydrophobicContact CD2-CB 4.36Å; L290-E294 HydrophobicContact CG-CB 4.39Å; L290-Y295 HydrophobicContact CD1-CD2 4.44Å; L290-Y298 HydrophobicContact CD1-CD1 4.15Å; L290-Y298 HydrophobicContact CD1-CG 4.25Å; L290-Y304 HydrophobicContact CD1-CD2 4.07Å; L290-Y304 HydrophobicContact CD1-CE2 3.75Å; L290-Y304 HydrophobicContact CD2-CE1 4.11Å; L290-Y304 HydrophobicContact CD2-CE2 3.88Å; L290-Y304 HydrophobicContact CG-CE2 3.85Å; L290-P305 HydrophobicContact CD1-CG 3.93Å; L290-P305 HydrophobicContact CD2-CG 3.31Å; L290-P305 HydrophobicContact CG-CG 4.25Å
291S95.6Very high94.2Very high1 Ų165.3 Ų65.31%0.00731%0.305CS..  trans-71.4158.8164.772.70000110.6N279 N280 N293 E294 Y295N279-S291 PolarHBondContact O-OG 3.48Å; N280-S291 WeakPolarHBondContact O-CB 3.33Å; N280-S291 PolarHBondContact O-OG 3.46Å; S291-N293 VanDerWaalsContact C-N 3.26Å; S291-N293 PolarHBondContact O-N 3.49Å; S291-E294 PolarHBondContact N-OE2 3.03Å; S291-E294 VanDerWaalsContact N-OE2 3.1Å; S291-E294 PolarHBondContact O-N 3.09Å; S291-E294 VanDerWaalsContact O-N 3.12Å; S291-E294 WeakPolarHBondContact OG-CG 3.24Å; S291-E294 PolarHBondContact OG-N 3.07Å; S291-E294 PolarHBondContact OG-OE2 3.45Å; S291-Y295 WeakPolarHBondContact O-CB 3.26Å; S291-Y295 PolarHBondContact O-N 2.85Å
292P97.7Very high94.1Very high0 Ų068.1 Ų68.10%032%0.321CS..Hα-helixtrans-52.2-40.1179.2-29.836.4000114.4Q169 Y278 L287 Y296Q169-P292 HydrophobicContact CB-CB 4.25Å; Q169-P292 VanDerWaalsContact CG-C 3.45Å; Q169-P292 HydrophobicContact CG-CB 3.59Å; Q169-P292 VanDerWaalsContact CG-O 3.25Å; Q169-P292 WeakPolarHBondContact CG-O 3.25Å; Y278-P292 HydrophobicContact CD1-CG 4.31Å; Y278-P292 HydrophobicContact CE1-CG 3.79Å; Y278-P292 WeakPolarHBondContact O-CD 3.4Å; Y278-P292 WeakPolarHBondContact O-CG 3.45Å; L287-P292 HydrophobicContact CD1-CG 4.36Å; P292-Y296 PolarHBondContact O-N 3.24Å
293N97.3Very high94Very high36 Ų3676.2 Ų76.219%0.19335%0.351CS..Hα-helixtrans-69.7-41.9177.6-79-15.2000112.6Q169 N279 N280 S291 Y296 R297Q169-N293 PolarHBondContact NE2-OD1 2.96Å; N279-N293 VanDerWaalsContact O-CB 3.23Å; N279-N293 WeakPolarHBondContact O-CB 3.39Å; N279-N293 PolarHBondContact O-N 3.47Å; N280-N293 PolarHBondContact OD1-ND2 3.02Å; S291-N293 VanDerWaalsContact C-N 3.26Å; S291-N293 PolarHBondContact O-N 3.49Å; N293-Y296 PolarHBondContact O-N 3.09Å; N293-R297 WeakPolarHBondContact O-CG 3.25Å; N293-R297 PolarHBondContact O-N 3.15Å; N293-R297 VanDerWaalsContact O-N 3.1Å
294E97Very high94Very high31 Ų3175 Ų7515%0.14535%0.346CS..Hα-helixtrans-64.2-42.9174.8-76.1174.7159.900112Y283 L290 S291 Y296 R297 Y298 P305Y283-E294 VanDerWaalsContact CE1-OE2 3.22Å; Y283-E294 WeakPolarHBondContact CE1-OE2 3.47Å; L290-E294 HydrophobicContact CB-CB 3.82Å; L290-E294 HydrophobicContact CD1-CB 4.33Å; L290-E294 HydrophobicContact CD2-CB 4.36Å; L290-E294 HydrophobicContact CG-CB 4.39Å; S291-E294 PolarHBondContact N-OE2 3.03Å; S291-E294 VanDerWaalsContact N-OE2 3.1Å; S291-E294 PolarHBondContact O-N 3.09Å; S291-E294 VanDerWaalsContact O-N 3.12Å; S291-E294 WeakPolarHBondContact OG-CG 3.24Å; S291-E294 PolarHBondContact OG-N 3.07Å; S291-E294 PolarHBondContact OG-OE2 3.45Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 3.36Å; E294-R297 VanDerWaalsContact CG-NH2 3.29Å; E294-R297 CarbonylContact O-C 3.5Å; E294-R297 WeakPolarHBondContact O-CB 3.31Å; E294-R297 PolarHBondContact O-N 2.86Å; E294-R297 VanDerWaalsContact O-N 3.11Å; E294-Y298 PolarHBondContact O-N 3.25Å; E294-P305 HydrophobicContact CB-CG 4.27Å; E294-P305 HydrophobicContact CG-CG 4.39Å
295Y97.5Very high93.8Very high39 Ų3975.1 Ų75.115%0.15335%0.35CS..Hα-helixtrans-62.8-41178.6-171.8-122.9000111.6T167 L287 A288 L290 S291 R297 Y298 L299T167-Y295 HydrophobicContact CG2-CD1 4.48Å; L287-Y295 HydrophobicContact CB-CD1 4Å; L287-Y295 HydrophobicContact CB-CD2 4.11Å; L287-Y295 HydrophobicContact CB-CE1 4.44Å; L287-Y295 HydrophobicContact CB-CG 3.83Å; L287-Y295 HydrophobicContact CD1-CD1 4.42Å; L287-Y295 HydrophobicContact CD2-CD1 3.75Å; L287-Y295 HydrophobicContact CD2-CE1 3.69Å; L287-Y295 HydrophobicContact CD2-CG 4.45Å; L287-Y295 HydrophobicContact CG-CD1 4.25Å; L287-Y295 VanDerWaalsContact O-CD2 3.3Å; L287-Y295 WeakPolarHBondContact O-CD2 3.35Å; A288-Y295 HydrophobicContact CB-CD2 4.38Å; A288-Y295 HydrophobicContact CB-CE2 4.25Å; L290-Y295 HydrophobicContact CD1-CD2 4.44Å; S291-Y295 WeakPolarHBondContact O-CB 3.26Å; S291-Y295 PolarHBondContact O-N 2.85Å; Y295-R297 PolarHBondContact O-N 3.14Å; Y295-Y298 HydrophobicContact CD2-CD1 4.24Å; Y295-Y298 HydrophobicContact CE2-CD1 4.35Å; Y295-Y298 PolarHBondContact O-N 3.06Å; Y295-L299 HydrophobicContact CD1-CD1 4.03Å; Y295-L299 HydrophobicContact CD2-CG 4.48Å; Y295-L299 HydrophobicContact CE1-CD1 3.59Å; Y295-L299 HydrophobicContact CE1-CG 4.27Å; Y295-L299 HydrophobicContact CE2-CD1 4.36Å; Y295-L299 HydrophobicContact CE2-CD2 4.21Å; Y295-L299 HydrophobicContact CE2-CG 4.18Å; Y295-L299 WeakPolarHBondContact O-CG 3.41Å; Y295-L299 PolarHBondContact O-N 3.06Å
296Y96.7Very high92.8Very high55 Ų5575.5 Ų75.522%0.21638%0.381CS..Hα-helixtrans-59.7-44.2171174.6-97.5000112.8P139 R140 T167 Q169 P292 N293 E294 Y298 L299 T300P139-Y296 HydrophobicContact CB-CD2 3.82Å; P139-Y296 HydrophobicContact CB-CE2 3.82Å; P139-Y296 HydrophobicContact CG-CD2 4.37Å; R140-Y296 HydrophobicContact CG-CE2 4.29Å; T167-Y296 HydrophobicContact CG2-CD2 3.97Å; Q169-Y296 VanDerWaalsContact CD-CB 3.46Å; Q169-Y296 VanDerWaalsContact OE1-CG 3.26Å; P292-Y296 PolarHBondContact O-N 3.24Å; N293-Y296 PolarHBondContact O-N 3.09Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 3.36Å; Y296-Y298 VanDerWaalsContact C-N 3.34Å; Y296-L299 PolarHBondContact O-N 3.1Å; Y296-T300 HydrophobicContact CD2-CG2 4.29Å; Y296-T300 HydrophobicContact CE1-CG2 4.27Å; Y296-T300 HydrophobicContact CE2-CG2 3.87Å; Y296-T300 WeakPolarHBondContact O-CB 3.32Å; Y296-T300 WeakPolarHBondContact O-CG2 3.41Å; Y296-T300 PolarHBondContact O-N 3Å; Y296-T300 VanDerWaalsContact O-N 3.1Å; Y296-T300 PolarHBondContact O-OG1 3.03Å
297R96.2Very high93Very high133 Ų13372.3 Ų72.350%0.50236%0.362SS..Hα-helixtrans-62.9-42.2175.8-72.6-170.1-64.9-119.73.4111.3N293 E294 Y295 T300 T301N293-R297 WeakPolarHBondContact O-CG 3.25Å; N293-R297 PolarHBondContact O-N 3.15Å; N293-R297 VanDerWaalsContact O-N 3.1Å; E294-R297 VanDerWaalsContact CG-NH2 3.29Å; E294-R297 CarbonylContact O-C 3.5Å; E294-R297 WeakPolarHBondContact O-CB 3.31Å; E294-R297 PolarHBondContact O-N 2.86Å; E294-R297 VanDerWaalsContact O-N 3.11Å; Y295-R297 PolarHBondContact O-N 3.14Å; R297-T300 PolarHBondContact O-N 3.24Å; R297-T300 PolarHBondContact O-OG1 2.99Å; R297-T301 WeakPolarHBondContact O-CB 3.5Å; R297-T301 WeakPolarHBondContact O-CG2 3.31Å; R297-T301 PolarHBondContact O-N 2.96Å; R297-T301 PolarHBondContact O-OG1 3.37Å
298Y96.4Very high93Very high68 Ų6875.8 Ų75.827%0.26738%0.38SS..Hα-helixtrans-60.3-50.8177.2173.6-134.2000111.2A288 L290 E294 Y295 Y296 T300 T301 D302 Y304A288-Y298 HydrophobicContact CB-CE1 4.45Å; L290-Y298 HydrophobicContact CD1-CD1 4.15Å; L290-Y298 HydrophobicContact CD1-CG 4.25Å; E294-Y298 PolarHBondContact O-N 3.25Å; Y295-Y298 HydrophobicContact CD2-CD1 4.24Å; Y295-Y298 HydrophobicContact CE2-CD1 4.35Å; Y295-Y298 PolarHBondContact O-N 3.06Å; Y296-Y298 VanDerWaalsContact C-N 3.34Å; Y298-T300 PolarHBondContact O-N 3.33Å; Y298-T301 PolarHBondContact O-N 3.45Å; Y298-D302 VanDerWaalsContact O-CA 3.29Å; Y298-D302 WeakPolarHBondContact O-CA 3.35Å; Y298-D302 PolarHBondContact O-N 3.26Å; Y298-Y304 HydrophobicContact CD1-CD2 4.33Å; Y298-Y304 HydrophobicContact CD2-CD2 4.44Å; Y298-Y304 HydrophobicContact CE1-CD2 4.3Å; Y298-Y304 HydrophobicContact CE2-CD2 4.43Å; Y298-Y304 HydrophobicContact CG-CD2 4.4Å
299L94.8Very high93.1Very high71 Ų7177.8 Ų77.837%0.37238%0.383SS..Hα-helixtrans-63.7-25.1179.3-68.7-178.9000114.2P139 T167 Y295 Y296P139-L299 HydrophobicContact CG-CB 3.99Å; P139-L299 HydrophobicContact CG-CD1 3.79Å; T167-L299 HydrophobicContact CG2-CD1 4.08Å; Y295-L299 HydrophobicContact CD1-CD1 4.03Å; Y295-L299 HydrophobicContact CD2-CG 4.48Å; Y295-L299 HydrophobicContact CE1-CD1 3.59Å; Y295-L299 HydrophobicContact CE1-CG 4.27Å; Y295-L299 HydrophobicContact CE2-CD1 4.36Å; Y295-L299 HydrophobicContact CE2-CD2 4.21Å; Y295-L299 HydrophobicContact CE2-CG 4.18Å; Y295-L299 WeakPolarHBondContact O-CG 3.41Å; Y295-L299 PolarHBondContact O-N 3.06Å; Y296-L299 PolarHBondContact O-N 3.1Å
300T92.6Very high93.1Very high77 Ų7775.5 Ų75.547%0.47238%0.375SS..Hα-helixtrans-96.6-21.7-178.151.90000114Y296 R297 Y298Y296-T300 HydrophobicContact CD2-CG2 4.29Å; Y296-T300 HydrophobicContact CE1-CG2 4.27Å; Y296-T300 HydrophobicContact CE2-CG2 3.87Å; Y296-T300 WeakPolarHBondContact O-CB 3.32Å; Y296-T300 WeakPolarHBondContact O-CG2 3.41Å; Y296-T300 PolarHBondContact O-N 3Å; Y296-T300 VanDerWaalsContact O-N 3.1Å; Y296-T300 PolarHBondContact O-OG1 3.03Å; R297-T300 PolarHBondContact O-N 3.24Å; R297-T300 PolarHBondContact O-OG1 2.99Å; Y298-T300 PolarHBondContact O-N 3.33Å
301T94.3Very high93Very high77 Ų7779.9 Ų79.947%0.47240%0.397SS..Hα-helixtrans-113.9-11.8-177.465.80000113.9R297 Y298 R303R297-T301 WeakPolarHBondContact O-CB 3.5Å; R297-T301 WeakPolarHBondContact O-CG2 3.31Å; R297-T301 PolarHBondContact O-N 2.96Å; R297-T301 PolarHBondContact O-OG1 3.37Å; Y298-T301 PolarHBondContact O-N 3.45Å; T301-R303 PolarHBondContact O-N 3.05Å; T301-R303 PolarHBondContact OG1-N 3.3Å
302D92.6Very high92.8Very high138 Ų13885.1 Ų85.174%0.73842%0.423SS*.SBendtrans55.724.8-171.5-157.833.1000113.2Y298Y298-D302 VanDerWaalsContact O-CA 3.29Å; Y298-D302 WeakPolarHBondContact O-CA 3.35Å; Y298-D302 PolarHBondContact O-N 3.26Å
303R94.3Very high92.5Very high198 Ų19891.2 Ų91.275%0.74745%0.453SS*.  trans-115.8112.6177.2-65.6179.6-174.9179.60.8109.5T301T301-R303 PolarHBondContact O-N 3.05Å; T301-R303 PolarHBondContact OG1-N 3.3Å
304Y92.4Very high92.1Very high111 Ų11195.5 Ų95.544%0.43547%0.473SS..  trans-66.6133.8172.1-164-93.1000108.8A288 L290 Y298 C306A288-Y304 HydrophobicContact CB-CE2 4.07Å; A288-Y304 WeakPolarHBondContact O-CE2 3.44Å; A288-Y304 PolarHBondContact O-OH 2.73Å; L290-Y304 HydrophobicContact CD1-CD2 4.07Å; L290-Y304 HydrophobicContact CD1-CE2 3.75Å; L290-Y304 HydrophobicContact CD2-CE1 4.11Å; L290-Y304 HydrophobicContact CD2-CE2 3.88Å; L290-Y304 HydrophobicContact CG-CE2 3.85Å; Y298-Y304 HydrophobicContact CD1-CD2 4.33Å; Y298-Y304 HydrophobicContact CD2-CD2 4.44Å; Y298-Y304 HydrophobicContact CE1-CD2 4.3Å; Y298-Y304 HydrophobicContact CE2-CD2 4.43Å; Y298-Y304 HydrophobicContact CG-CD2 4.4Å; Y304-C306 PolarHBondContact O-N 2.72Å
305P85.2Confident91.7Very high41 Ų41100.8 Ų100.827%0.26650%0.5SS..  trans-63.1122.7177.826.1-31.9000109.4L290 E294L290-P305 HydrophobicContact CD1-CG 3.93Å; L290-P305 HydrophobicContact CD2-CG 3.31Å; L290-P305 HydrophobicContact CG-CG 4.25Å; E294-P305 HydrophobicContact CB-CG 4.27Å; E294-P305 HydrophobicContact CG-CG 4.39Å
306C67.3Low91.2Very high202 Ų202106.5 Ų106.5100%1.36553%0.532SS*.  trans-76.30177.8-58.80000111.8Y304Y304-C306 PolarHBondContact O-N 2.72Å

Retrieved 306 of 306 residues in 542.1 ms (Link to these results)

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