A0A077ZM30_TRITR Loading...

Response reg and Sigma54 activ 2 and HTH 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.6Low76Confident141 Ų14167.6 Ų67.670%0.69544%0.438SS*.  0154.70-67.4-176.3-80.200107.5G3 C4 L9M1-G3 PolarHBondContact O-N 2.69Å; M1-C4 PolarHBondContact N-O 3.37Å; M1-C4 VanDerWaalsContact N-O 3.12Å; M1-C4 PolarHBondContact O-N 3.04Å; M1-L9 HydrophobicContact CE-CB 4.23Å; M1-L9 HydrophobicContact CE-CD1 4.38Å; M1-L9 HydrophobicContact CE-CD2 3.71Å; M1-L9 HydrophobicContact CE-CG 4.32Å
2P51.2Low76.9Confident142 Ų14269.4 Ų69.492%0.92244%0.44SS*.THydrogen-bonded Turntrans-57.6113.3175.621.5-29000109.2
3G67.6Low77.8Confident90 Ų9071.4 Ų71.493%0.92844%0.438SS*.THydrogen-bonded Turntrans90.6-8.9175.800000118.4M1M1-G3 PolarHBondContact O-N 2.69Å
4C70.8Confident78.4Confident39 Ų3968.1 Ų68.126%0.26442%0.415SS..  trans-144.5126.7-177.8-175.60000110.5M1 D8M1-C4 PolarHBondContact N-O 3.37Å; M1-C4 VanDerWaalsContact N-O 3.12Å; M1-C4 PolarHBondContact O-N 3.04Å; C4-D8 VanDerWaalsContact SG-CB 3.53Å
5S82.6Confident78.8Confident47 Ų4773.6 Ų73.633%0.32943%0.434SS..  trans-75.1159.1176.278.60000110.7I7 D8 L9S5-I7 PolarHBondContact O-N 3.13Å; S5-I7 PolarHBondContact OG-N 3.19Å; S5-D8 VanDerWaalsContact CB-OD2 3.23Å; S5-D8 WeakPolarHBondContact CB-OD2 3.22Å; S5-D8 PolarHBondContact N-OD2 3.27Å; S5-D8 PolarHBondContact O-N 3.09Å; S5-D8 PolarHBondContact OG-N 3.32Å; S5-D8 VanDerWaalsContact OG-N 3.12Å; S5-D8 PolarHBondContact OG-OD2 3.49Å; S5-L9 PolarHBondContact O-N 3.12Å
6G81.8Confident78.8Confident41 Ų4177.9 Ų77.942%0.42346%0.455SS..Hα-helixtrans-61-28.2175.700000112.7M10G6-M10 PolarHBondContact O-N 2.97Å; G6-M10 VanDerWaalsContact O-N 3.09Å
7I83.1Confident79.1Confident23 Ų2374.5 Ų74.512%0.11844%0.435CS..Hα-helixtrans-72.7-41.3176.7-62.5169.9000110.5S5 L9 M10 M11 M33 A37S5-I7 PolarHBondContact O-N 3.13Å; S5-I7 PolarHBondContact OG-N 3.19Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 2.67Å; I7-M10 WeakPolarHBondContact O-CB 3.22Å; I7-M10 PolarHBondContact O-N 3.03Å; I7-M10 VanDerWaalsContact O-N 3.16Å; I7-M11 HydrophobicContact CG2-CE 4.28Å; I7-M11 WeakPolarHBondContact O-CG 3.5Å; I7-M11 PolarHBondContact O-N 3.07Å; I7-M33 HydrophobicContact CD1-CG 3.71Å; I7-M33 HydrophobicContact CD1-SD 4.19Å; I7-A37 HydrophobicContact CD1-CB 4.29Å; I7-A37 HydrophobicContact CG1-CB 4.01Å
8D85.6Confident79.2Confident68 Ų6879.7 Ų79.736%0.36445%0.454SS..Hα-helixtrans-61.1-41.7176.7-59.2-40000111.3C4 S5 M11 L12C4-D8 VanDerWaalsContact SG-CB 3.53Å; S5-D8 VanDerWaalsContact CB-OD2 3.23Å; S5-D8 WeakPolarHBondContact CB-OD2 3.22Å; S5-D8 PolarHBondContact N-OD2 3.27Å; S5-D8 PolarHBondContact O-N 3.09Å; S5-D8 PolarHBondContact OG-N 3.32Å; S5-D8 VanDerWaalsContact OG-N 3.12Å; S5-D8 PolarHBondContact OG-OD2 3.49Å; D8-M11 HydrophobicContact CB-CE 4.46Å; D8-M11 PolarHBondContact O-N 3.48Å; D8-M11 WeakPolarHBondContact OD1-CE 3.1Å; D8-L12 WeakPolarHBondContact O-CG 3.44Å; D8-L12 PolarHBondContact O-N 2.62Å
9L87.2Confident79.5Confident60 Ų6079.5 Ų79.531%0.31445%0.449SS..Hα-helixtrans-64.3-41.1174.7-171.274.1000112.2M1 S5 I7 M11 L12 F13M1-L9 HydrophobicContact CE-CB 4.23Å; M1-L9 HydrophobicContact CE-CD1 4.38Å; M1-L9 HydrophobicContact CE-CD2 3.71Å; M1-L9 HydrophobicContact CE-CG 4.32Å; S5-L9 PolarHBondContact O-N 3.12Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 2.67Å; L9-M11 VanDerWaalsContact C-N 3.34Å; L9-L12 WeakPolarHBondContact O-CB 3.23Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-F13 HydrophobicContact CD1-CE2 3.91Å; L9-F13 HydrophobicContact CD1-CZ 4.25Å; L9-F13 HydrophobicContact CD2-CD2 4.44Å; L9-F13 HydrophobicContact CD2-CE2 3.68Å; L9-F13 HydrophobicContact CD2-CZ 4.49Å; L9-F13 HydrophobicContact CG-CD2 3.95Å; L9-F13 HydrophobicContact CG-CE2 3.51Å; L9-F13 HydrophobicContact CG-CZ 4.32Å; L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.11Å
10M88.5Confident79.9Confident3 Ų378.1 Ų78.12%0.01544%0.44CS..Hα-helixtrans-59.5-47176.3-176.9-168.179.700111.1G6 I7 L12 F13 H14 I22 L24 K40 A42G6-M10 PolarHBondContact O-N 2.97Å; G6-M10 VanDerWaalsContact O-N 3.09Å; I7-M10 WeakPolarHBondContact O-CB 3.22Å; I7-M10 PolarHBondContact O-N 3.03Å; I7-M10 VanDerWaalsContact O-N 3.16Å; M10-L12 VanDerWaalsContact C-N 3.3Å; M10-L12 PolarHBondContact O-N 2.96Å; M10-F13 PolarHBondContact O-N 2.93Å; M10-H14 PolarHBondContact O-N 3.31Å; M10-I22 HydrophobicContact CB-CD1 4.2Å; M10-I22 HydrophobicContact CB-CG2 4.25Å; M10-I22 HydrophobicContact CG-CB 4.15Å; M10-I22 HydrophobicContact CG-CD1 3.64Å; M10-I22 HydrophobicContact CG-CG1 4.48Å; M10-I22 HydrophobicContact CG-CG2 3.92Å; M10-L24 HydrophobicContact SD-CD1 4.5Å; M10-K40 HydrophobicContact CE-CB 3.91Å; M10-A42 HydrophobicContact SD-CB 3.52Å; M10-A42 VanDerWaalsContact SD-CB 3.52Å; M10-A42 PolarHBondContact SD-N 3.27Å
11M86Confident80.5Confident90 Ų9076.1 Ų76.144%0.44343%0.43SS..Hα-helixtrans-60.4-39.6176.9-68.6-173.1-63.500111.8I7 D8 L9 H14 Q15I7-M11 HydrophobicContact CG2-CE 4.28Å; I7-M11 WeakPolarHBondContact O-CG 3.5Å; I7-M11 PolarHBondContact O-N 3.07Å; D8-M11 HydrophobicContact CB-CE 4.46Å; D8-M11 PolarHBondContact O-N 3.48Å; D8-M11 WeakPolarHBondContact OD1-CE 3.1Å; L9-M11 VanDerWaalsContact C-N 3.34Å; M11-H14 PolarHBondContact O-N 3.26Å; M11-Q15 WeakPolarHBondContact O-CG 3.39Å; M11-Q15 PolarHBondContact O-N 2.95Å; M11-Q15 VanDerWaalsContact O-N 3.09Å
12L87.1Confident82.4Confident89 Ų8970.5 Ų70.547%0.46640%0.402SS..Hα-helixtrans-61.4-46.4175.3-73.5168.6000112.1D8 L9 M10 H14 Q15D8-L12 WeakPolarHBondContact O-CG 3.44Å; D8-L12 PolarHBondContact O-N 2.62Å; L9-L12 WeakPolarHBondContact O-CB 3.23Å; L9-L12 PolarHBondContact O-N 2.99Å; M10-L12 VanDerWaalsContact C-N 3.3Å; M10-L12 PolarHBondContact O-N 2.96Å; L12-H14 PolarHBondContact O-N 3.3Å; L12-Q15 WeakPolarHBondContact O-CB 3.48Å; L12-Q15 PolarHBondContact O-N 3.43Å
13F88Confident84.3Confident95 Ų9565.8 Ų65.842%0.41737%0.369SS..Hα-helixtrans-66.8-36.3177.9-73-52.8000113.1L9 M10 Q15 D16 D17 I22L9-F13 HydrophobicContact CD1-CE2 3.91Å; L9-F13 HydrophobicContact CD1-CZ 4.25Å; L9-F13 HydrophobicContact CD2-CD2 4.44Å; L9-F13 HydrophobicContact CD2-CE2 3.68Å; L9-F13 HydrophobicContact CD2-CZ 4.49Å; L9-F13 HydrophobicContact CG-CD2 3.95Å; L9-F13 HydrophobicContact CG-CE2 3.51Å; L9-F13 HydrophobicContact CG-CZ 4.32Å; L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.11Å; M10-F13 PolarHBondContact O-N 2.93Å; F13-Q15 VanDerWaalsContact C-N 3.25Å; F13-Q15 PolarHBondContact O-N 3.31Å; F13-D16 PolarHBondContact O-N 3.48Å; F13-D17 PolarHBondContact O-N 2.97Å; F13-D17 VanDerWaalsContact O-N 3.1Å; F13-I22 HydrophobicContact CB-CD1 3.65Å; F13-I22 HydrophobicContact CD2-CD1 4.19Å; F13-I22 HydrophobicContact CG-CD1 4.38Å
14H87.1Confident85.4Confident26 Ų2662.8 Ų62.812%0.1233%0.332CS..Hα-helixtrans-72.6-15.5176.6-72159.5000113.9M10 M11 L12 D16 Q18 I20 I22 G41M10-H14 PolarHBondContact O-N 3.31Å; M11-H14 PolarHBondContact O-N 3.26Å; L12-H14 PolarHBondContact O-N 3.3Å; H14-D16 VanDerWaalsContact C-N 3.33Å; H14-Q18 VanDerWaalsContact O-CG 3.28Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.08Å; H14-I20 PolarHBondContact NE2-O 3.25Å; H14-I20 VanDerWaalsContact NE2-O 3.09Å; H14-I22 WeakPolarHBondContact NE2-CD1 3.23Å; H14-G41 PolarHBondContact CE1-O 3.48Å
15Q83.3Confident86.4Confident150 Ų15065.3 Ų65.370%0.70134%0.342SS*.Hα-helixtrans-66.7-37.3167.7-73.41687.700111.6M11 L12 F13M11-Q15 WeakPolarHBondContact O-CG 3.39Å; M11-Q15 PolarHBondContact O-N 2.95Å; M11-Q15 VanDerWaalsContact O-N 3.09Å; L12-Q15 WeakPolarHBondContact O-CB 3.48Å; L12-Q15 PolarHBondContact O-N 3.43Å; F13-Q15 VanDerWaalsContact C-N 3.25Å; F13-Q15 PolarHBondContact O-N 3.31Å
16D80.1Confident86.6Confident142 Ų14263.7 Ų63.776%0.75933%0.33SS*.Hα-helixtrans-76.9-44.6177.4-69.6-25.7000111.5F13 H14F13-D16 PolarHBondContact O-N 3.48Å; H14-D16 VanDerWaalsContact C-N 3.33Å
17D82.3Confident86.7Confident21 Ų2162.8 Ų62.811%0.11232%0.32CS..  trans-157.5106.1179-176.52.7000111.9F13 Q19 I20 R66 R73F13-D17 PolarHBondContact O-N 2.97Å; F13-D17 VanDerWaalsContact O-N 3.1Å; D17-Q19 PolarHBondContact O-N 3.13Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.49Å; D17-Q19 PolarHBondContact OD1-N 3.27Å; D17-I20 HydrophobicContact CB-CD1 3.72Å; D17-I20 HydrophobicContact CB-CG1 3.79Å; D17-I20 PolarHBondContact O-N 3.42Å; D17-I20 VanDerWaalsContact O-N 3.08Å; D17-R66 IonicContact OD1-NH1 2.68Å; D17-R66 IonicContact OD2-CZ 3.81Å; D17-R66 IonicContact OD2-NH1 3.46Å; D17-R66 PolarHBondContact OD2-NH1 3.23Å; D17-R66 IonicContact OD2-NH2 3.62Å; D17-R66 PolarHBondContact OD2-NH2 3.27Å; D17-R73 IonicContact OD1-CZ 2.86Å; D17-R73 IonicContact OD1-NH1 3.31Å; D17-R73 PolarHBondContact OD1-NH1 3.23Å; D17-R73 VanDerWaalsContact OD1-NH1 3.13Å; D17-R73 IonicContact OD1-NH2 3.54Å; D17-R73 PolarHBondContact OD1-NH2 3.4Å; D17-R73 IonicContact OD2-CZ 2.92Å; D17-R73 IonicContact OD2-NH1 3.47Å; D17-R73 PolarHBondContact OD2-NH1 3.05Å; D17-R73 IonicContact OD2-NH2 3.54Å
18Q82.2Confident86.1Confident167 Ų16769 Ų6978%0.7835%0.349SS*.THydrogen-bonded Turntrans-59.3-15.2178-66.7-171.6-8.200113.8H14H14-Q18 VanDerWaalsContact O-CG 3.28Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.08Å
19Q83.9Confident85.3Confident77 Ų7769.1 Ų69.136%0.3637%0.366SS..THydrogen-bonded Turntrans-97.610.9-179.8-62.4-174.2-33.100113.5D17 P21 R66 I69D17-Q19 PolarHBondContact O-N 3.13Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.49Å; D17-Q19 PolarHBondContact OD1-N 3.27Å; Q19-P21 WeakPolarHBondContact O-CD 3.4Å; Q19-R66 PolarHBondContact O-NH1 3.1Å; Q19-R66 VanDerWaalsContact O-NH1 3.15Å; Q19-I69 HydrophobicContact CB-CD1 3.98Å; Q19-I69 HydrophobicContact CB-CG2 4.08Å; Q19-I69 HydrophobicContact CG-CD1 4.42Å
20I88.8Confident85.1Confident51 Ų5170.3 Ų70.326%0.26237%0.373SS..SBendtrans-77.8121.1169.4-67.2172.2000108.7H14 D17 I22H14-I20 PolarHBondContact NE2-O 3.25Å; H14-I20 VanDerWaalsContact NE2-O 3.09Å; D17-I20 HydrophobicContact CB-CD1 3.72Å; D17-I20 HydrophobicContact CB-CG1 3.79Å; D17-I20 PolarHBondContact O-N 3.42Å; D17-I20 VanDerWaalsContact O-N 3.08Å; I20-I22 HydrophobicContact CG2-CG1 4.2Å; I20-I22 PolarHBondContact O-N 3.45Å
21P91Very high84.8Confident36 Ų3671.9 Ų71.923%0.23438%0.382CS..  trans-72.6125.2175.830-33.9000110.2Q19 W43 A62 R66Q19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-W43 HydrophobicContact CB-CB 3.87Å; P21-W43 HydrophobicContact CB-CD2 4.31Å; P21-W43 HydrophobicContact CB-CG 3.63Å; P21-A62 HydrophobicContact CB-CB 3.82Å; P21-A62 HydrophobicContact CG-CB 3.95Å; P21-R66 HydrophobicContact CG-CB 4.11Å
22I92.1Very high84.8Confident23 Ų2372.2 Ų72.212%0.11839%0.391CS..  trans-118.3112.3-179.7-60.5175000108.7M10 F13 H14 I20 L24 W43M10-I22 HydrophobicContact CB-CD1 4.2Å; M10-I22 HydrophobicContact CB-CG2 4.25Å; M10-I22 HydrophobicContact CG-CB 4.15Å; M10-I22 HydrophobicContact CG-CD1 3.64Å; M10-I22 HydrophobicContact CG-CG1 4.48Å; M10-I22 HydrophobicContact CG-CG2 3.92Å; F13-I22 HydrophobicContact CB-CD1 3.65Å; F13-I22 HydrophobicContact CD2-CD1 4.19Å; F13-I22 HydrophobicContact CG-CD1 4.38Å; H14-I22 WeakPolarHBondContact NE2-CD1 3.23Å; I20-I22 HydrophobicContact CG2-CG1 4.2Å; I20-I22 PolarHBondContact O-N 3.45Å; I22-L24 HydrophobicContact CG2-CD2 4.32Å; I22-W43 PolarHBondContact O-N 3.16Å
23L91.9Very high84.7Confident44 Ų4473.3 Ų73.323%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-94.5121.3177.6-176.369.7000109.8W43 D44 L46 L55 L58 V59L23-W43 HydrophobicContact CD1-CE3 4.27Å; L23-W43 HydrophobicContact CD1-CZ3 4.49Å; L23-D44 WeakPolarHBondContact CA-O 3.22Å; L23-D44 HydrophobicContact CD1-CB 3.74Å; L23-L46 HydrophobicContact CD1-CG 4.36Å; L23-L46 HydrophobicContact CD2-CD1 3.66Å; L23-L46 HydrophobicContact CD2-CG 4.33Å; L23-L46 HydrophobicContact CG-CD1 4.31Å; L23-L55 HydrophobicContact CD2-CD1 3.76Å; L23-L58 HydrophobicContact CD1-CB 4.35Å; L23-L58 HydrophobicContact CD1-CD1 3.79Å; L23-L58 HydrophobicContact CD2-CB 4.2Å; L23-V59 HydrophobicContact CD2-CG2 4.28Å
24L90.5Very high84.6Confident26 Ų2669 Ų6914%0.13638%0.377CS..EExtended strand (participates in β ladder)trans-92.8142.3-179-65.3171.7000111.5M10 I22 A37 A42 D44 F45 L46M10-L24 HydrophobicContact SD-CD1 4.5Å; I22-L24 HydrophobicContact CG2-CD2 4.32Å; L24-A37 HydrophobicContact CD1-CB 3.15Å; L24-A42 HydrophobicContact CD1-CB 3.58Å; L24-A42 HydrophobicContact CG-CB 4.08Å; L24-D44 PolarHBondContact N-O 3.01Å; L24-F45 HydrophobicContact CB-CB 4.08Å; L24-F45 CarbonylContact O-C 3.53Å; L24-F45 WeakPolarHBondContact O-CA 3.4Å; L24-L46 PolarHBondContact O-N 2.92Å
25I90.4Very high84.6Confident92 Ų9270.6 Ų70.647%0.47239%0.388SS..EExtended strand (participates in β ladder)trans-112.8115.4174-56.5176.6000108.5L46 K48 V50I25-L46 CarbonylContact C-O 3.57Å; I25-L46 WeakPolarHBondContact CA-O 3.43Å; I25-K48 HydrophobicContact CG2-CD 4.4Å; I25-K48 HydrophobicContact CG2-CG 3.86Å; I25-V50 HydrophobicContact CG2-CG2 3.65Å
26T87Confident84.8Confident13 Ų1366.5 Ų66.58%0.0837%0.371CS..EExtended strand (participates in β ladder)trans-114.6152.7-171.1-164.60000112.7D30 A34 F45 L46 Q47 K48T26-D30 VanDerWaalsContact OG1-C 3.28Å; T26-D30 WeakPolarHBondContact OG1-CB 3.47Å; T26-D30 PolarHBondContact OG1-O 3.13Å; T26-A34 HydrophobicContact CG2-CB 3.82Å; T26-F45 HydrophobicContact CG2-CD2 3.66Å; T26-F45 HydrophobicContact CG2-CE2 4.17Å; T26-L46 PolarHBondContact N-O 3.43Å; T26-Q47 HydrophobicContact CG2-CG 3.91Å; T26-Q47 CarbonylContact O-C 3.46Å; T26-Q47 WeakPolarHBondContact O-CA 3.42Å; T26-K48 PolarHBondContact O-N 3.34Å
27G83.9Confident85.1Confident22 Ų2259.7 Ų59.723%0.22734%0.335CS..  trans-78.4166.6168.800000111.8G29 D30G27-G29 PolarHBondContact O-N 3.36Å; G27-D30 PolarHBondContact O-N 2.86Å; G27-D30 VanDerWaalsContact O-N 3.09Å
28H70.6Confident85.4Confident154 Ų15461.2 Ų61.271%0.71335%0.345SS*.G310 helixtrans-62.9-30.1-178.1-149.675.2000113.1
29G70.2Confident85.6Confident70 Ų7061.4 Ų61.472%0.72234%0.343SS*.G310 helixtrans-81.9-11.217600000115G27G27-G29 PolarHBondContact O-N 3.36Å
30D82.4Confident85.7Confident86 Ų8663.1 Ų63.146%0.4635%0.35SS..G310 helixtrans-109.314.4-169.5-62.8-42.6000112.5T26 G27 M33 A34T26-D30 VanDerWaalsContact OG1-C 3.28Å; T26-D30 WeakPolarHBondContact OG1-CB 3.47Å; T26-D30 PolarHBondContact OG1-O 3.13Å; G27-D30 PolarHBondContact O-N 2.86Å; G27-D30 VanDerWaalsContact O-N 3.09Å; D30-M33 WeakPolarHBondContact O-CB 3.03Å; D30-M33 PolarHBondContact O-N 2.92Å; D30-A34 PolarHBondContact O-N 2.78Å; D30-A34 VanDerWaalsContact O-N 3.07Å
31V82Confident85.5Confident35 Ų3562.6 Ų62.621%0.21236%0.356CS..Hα-helixtrans-58-42.2177.8-1780000112.5M33 A34 V35 F45 Q47V31-M33 VanDerWaalsContact C-N 3.28Å; V31-M33 PolarHBondContact O-N 3.25Å; V31-A34 PolarHBondContact O-N 3.01Å; V31-A34 VanDerWaalsContact O-N 3.13Å; V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.01Å; V31-F45 HydrophobicContact CG1-CE2 4.12Å; V31-F45 HydrophobicContact CG1-CZ 4.11Å; V31-Q47 HydrophobicContact CG2-CG 4.11Å
32P85.7Confident85.4Confident98 Ų9861.1 Ų61.164%0.63635%0.348SS*.Hα-helixtrans-58.8-38.3176-25.235.8000113.2V35 D36P32-V35 PolarHBondContact O-N 3.35Å; P32-D36 PolarHBondContact O-N 3.21Å
33M84.6Confident85.3Confident111 Ų11162.7 Ų62.755%0.54735%0.352SS..Hα-helixtrans-68-38.2176.6-178.3-179.1-74.700111.5I7 D30 V31 D36 A37I7-M33 HydrophobicContact CD1-CG 3.71Å; I7-M33 HydrophobicContact CD1-SD 4.19Å; D30-M33 WeakPolarHBondContact O-CB 3.03Å; D30-M33 PolarHBondContact O-N 2.92Å; V31-M33 VanDerWaalsContact C-N 3.28Å; V31-M33 PolarHBondContact O-N 3.25Å; M33-D36 PolarHBondContact O-N 3.28Å; M33-A37 WeakPolarHBondContact O-CB 3.34Å; M33-A37 PolarHBondContact O-N 3.34Å
34A85.8Confident85.3Confident4 Ų462.8 Ų62.83%0.03335%0.353CS..Hα-helixtrans-66.4-40.9176.800000112.3T26 D30 V31 D36 A37 V38 F45T26-A34 HydrophobicContact CG2-CB 3.82Å; D30-A34 PolarHBondContact O-N 2.78Å; D30-A34 VanDerWaalsContact O-N 3.07Å; V31-A34 PolarHBondContact O-N 3.01Å; V31-A34 VanDerWaalsContact O-N 3.13Å; A34-D36 VanDerWaalsContact C-N 3.35Å; A34-A37 PolarHBondContact O-N 3Å; A34-V38 PolarHBondContact O-N 3.45Å; A34-F45 HydrophobicContact CB-CB 3.82Å; A34-F45 HydrophobicContact CB-CD1 4.08Å; A34-F45 HydrophobicContact CB-CD2 3.6Å; A34-F45 HydrophobicContact CB-CE2 4.15Å; A34-F45 HydrophobicContact CB-CG 3.55Å
35V87.1Confident85.3Confident60 Ų6063.4 Ų63.436%0.36435%0.354SS..Hα-helixtrans-63-42.1173.9173.60000111.1V31 P32 A37 V38 K39 F45V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.01Å; P32-V35 PolarHBondContact O-N 3.35Å; V35-A37 VanDerWaalsContact C-N 3.29Å; V35-A37 PolarHBondContact O-N 3.4Å; V35-V38 PolarHBondContact O-N 3.17Å; V35-K39 PolarHBondContact O-N 3.28Å; V35-K39 VanDerWaalsContact O-N 3.16Å; V35-F45 HydrophobicContact CG2-CE1 4.08Å; V35-F45 HydrophobicContact CG2-CZ 4.22Å
36D87.4Confident85.3Confident64 Ų6459.1 Ų59.134%0.34233%0.333SS..Hα-helixtrans-62.1-38.1174.5-174.151.1000111.9P32 M33 A34 K39 K40P32-D36 PolarHBondContact O-N 3.21Å; M33-D36 PolarHBondContact O-N 3.28Å; A34-D36 VanDerWaalsContact C-N 3.35Å; D36-K39 WeakPolarHBondContact O-CB 3.38Å; D36-K39 PolarHBondContact O-N 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.44Å; D36-K40 PolarHBondContact O-N 3.38Å; D36-K40 IonicContact OD1-NZ 3.44Å; D36-K40 VanDerWaalsContact OD2-CE 3.23Å; D36-K40 WeakPolarHBondContact OD2-CE 3.4Å; D36-K40 IonicContact OD2-NZ 3.99Å; D36-K40 PolarHBondContact OD2-NZ 3.24Å
37A86.9Confident85.5Confident0 Ų062.1 Ų62.10%035%0.346CS..Hα-helixtrans-68.9-36.7177.500000113.2I7 L24 M33 A34 V35 K39 K40 G41 A42I7-A37 HydrophobicContact CD1-CB 4.29Å; I7-A37 HydrophobicContact CG1-CB 4.01Å; L24-A37 HydrophobicContact CD1-CB 3.15Å; M33-A37 WeakPolarHBondContact O-CB 3.34Å; M33-A37 PolarHBondContact O-N 3.34Å; A34-A37 PolarHBondContact O-N 3Å; V35-A37 VanDerWaalsContact C-N 3.29Å; V35-A37 PolarHBondContact O-N 3.4Å; A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 3.2Å; A37-K40 CarbonylContact O-C 3.58Å; A37-K40 WeakPolarHBondContact O-CA 3.38Å; A37-K40 PolarHBondContact O-N 3.05Å; A37-G41 PolarHBondContact O-N 3.07Å; A37-A42 HydrophobicContact CB-CB 4.32Å; A37-A42 VanDerWaalsContact O-CB 3.31Å; A37-A42 WeakPolarHBondContact O-CB 3.31Å; A37-A42 PolarHBondContact O-N 3.41Å
38V88.4Confident85.7Confident53 Ų5367.2 Ų67.232%0.32136%0.361SS..Hα-helixtrans-60.2-42.6170.4173.70000111A34 V35 K40 G41 A42 F45A34-V38 PolarHBondContact O-N 3.45Å; V35-V38 PolarHBondContact O-N 3.17Å; V38-K40 PolarHBondContact O-N 3.18Å; V38-G41 PolarHBondContact O-N 3.06Å; V38-A42 HydrophobicContact CG2-CB 4.18Å; V38-F45 HydrophobicContact CG2-CD1 3.94Å
39K86.7Confident86.6Confident170 Ų17066 Ų6674%0.73937%0.367SS*.Hα-helixtrans-61.9-28.5174-68.3177.5179.6-179.20113.1V35 D36 A37 G41V35-K39 PolarHBondContact O-N 3.28Å; V35-K39 VanDerWaalsContact O-N 3.16Å; D36-K39 WeakPolarHBondContact O-CB 3.38Å; D36-K39 PolarHBondContact O-N 3.24Å; A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 3.2Å; K39-G41 VanDerWaalsContact C-N 3.34Å
40K85.3Confident87.5Confident114 Ų11464.8 Ų64.850%0.49635%0.346SS..THydrogen-bonded Turntrans-86.41.7176.9-70.8170.4175.8168.70114M10 D36 A37 V38M10-K40 HydrophobicContact CE-CB 3.91Å; D36-K40 WeakPolarHBondContact O-CG 3.44Å; D36-K40 PolarHBondContact O-N 3.38Å; D36-K40 IonicContact OD1-NZ 3.44Å; D36-K40 VanDerWaalsContact OD2-CE 3.23Å; D36-K40 WeakPolarHBondContact OD2-CE 3.4Å; D36-K40 IonicContact OD2-NZ 3.99Å; D36-K40 PolarHBondContact OD2-NZ 3.24Å; A37-K40 CarbonylContact O-C 3.58Å; A37-K40 WeakPolarHBondContact O-CA 3.38Å; A37-K40 PolarHBondContact O-N 3.05Å; V38-K40 PolarHBondContact O-N 3.18Å
41G85.4Confident87.9Confident39 Ų3965.1 Ų65.140%0.40235%0.348SS..THydrogen-bonded Turntrans115.50.717500000115.4H14 A37 V38 K39 W43H14-G41 PolarHBondContact CE1-O 3.48Å; A37-G41 PolarHBondContact O-N 3.07Å; V38-G41 PolarHBondContact O-N 3.06Å; K39-G41 VanDerWaalsContact C-N 3.34Å; G41-W43 PolarHBondContact O-N 3.36Å
42A88.3Confident88.4Confident6 Ų667.8 Ų67.85%0.0537%0.366CS..  trans-59.5142.1169.700000109.6M10 L24 A37 V38M10-A42 HydrophobicContact SD-CB 3.52Å; M10-A42 VanDerWaalsContact SD-CB 3.52Å; M10-A42 PolarHBondContact SD-N 3.27Å; L24-A42 HydrophobicContact CD1-CB 3.58Å; L24-A42 HydrophobicContact CG-CB 4.08Å; A37-A42 HydrophobicContact CB-CB 4.32Å; A37-A42 VanDerWaalsContact O-CB 3.31Å; A37-A42 WeakPolarHBondContact O-CB 3.31Å; A37-A42 PolarHBondContact O-N 3.41Å; V38-A42 HydrophobicContact CG2-CB 4.18Å
43W90.8Very high88.8Confident55 Ų5565.1 Ų65.121%0.20836%0.356CS..  trans-70.8-46.2-177.1-174.783.1000111P21 I22 L23 G41 L58 E61 A62P21-W43 HydrophobicContact CB-CB 3.87Å; P21-W43 HydrophobicContact CB-CD2 4.31Å; P21-W43 HydrophobicContact CB-CG 3.63Å; I22-W43 PolarHBondContact O-N 3.16Å; L23-W43 HydrophobicContact CD1-CE3 4.27Å; L23-W43 HydrophobicContact CD1-CZ3 4.49Å; G41-W43 PolarHBondContact O-N 3.36Å; W43-L58 HydrophobicContact CH2-CB 4.45Å; W43-L58 HydrophobicContact CH2-CD2 4.04Å; W43-L58 VanDerWaalsContact CH2-O 3.31Å; W43-L58 WeakPolarHBondContact CH2-O 3.38Å; W43-L58 HydrophobicContact CZ3-CB 3.87Å; W43-L58 HydrophobicContact CZ3-CD2 3.77Å; W43-L58 HydrophobicContact CZ3-CG 4.32Å; W43-L58 WeakPolarHBondContact CZ3-O 3.38Å; W43-E61 HydrophobicContact CH2-CB 3.77Å; W43-E61 HydrophobicContact CH2-CG 3.99Å; W43-E61 HydrophobicContact CZ2-CB 3.94Å; W43-E61 HydrophobicContact CZ2-CG 3.77Å; W43-A62 HydrophobicContact CD2-CB 3.97Å; W43-A62 HydrophobicContact CE3-CB 4.06Å; W43-A62 HydrophobicContact CH2-CB 4.21Å; W43-A62 HydrophobicContact CZ2-CB 4.08Å; W43-A62 HydrophobicContact CZ3-CB 4.17Å
44D91.2Very high89.1Confident47 Ų4764.9 Ų64.925%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-163.2-175.8170.1-159.9-2.9000109.8L23 L24 L58L23-D44 WeakPolarHBondContact CA-O 3.22Å; L23-D44 HydrophobicContact CD1-CB 3.74Å; L24-D44 PolarHBondContact N-O 3.01Å; D44-L58 WeakPolarHBondContact OD2-CD2 3.46Å
45F91.1Very high89.4Confident38 Ų3867.4 Ų67.417%0.16737%0.365CS..EExtended strand (participates in β ladder)trans-137.5155.4171.175.9-83.9000114.2L24 T26 V31 A34 V35 V38 Q47L24-F45 HydrophobicContact CB-CB 4.08Å; L24-F45 CarbonylContact O-C 3.53Å; L24-F45 WeakPolarHBondContact O-CA 3.4Å; T26-F45 HydrophobicContact CG2-CD2 3.66Å; T26-F45 HydrophobicContact CG2-CE2 4.17Å; V31-F45 HydrophobicContact CG1-CE2 4.12Å; V31-F45 HydrophobicContact CG1-CZ 4.11Å; A34-F45 HydrophobicContact CB-CB 3.82Å; A34-F45 HydrophobicContact CB-CD1 4.08Å; A34-F45 HydrophobicContact CB-CD2 3.6Å; A34-F45 HydrophobicContact CB-CE2 4.15Å; A34-F45 HydrophobicContact CB-CG 3.55Å; V35-F45 HydrophobicContact CG2-CE1 4.08Å; V35-F45 HydrophobicContact CG2-CZ 4.22Å; V38-F45 HydrophobicContact CG2-CD1 3.94Å; F45-Q47 HydrophobicContact CD2-CG 4.35Å; F45-Q47 HydrophobicContact CE2-CG 3.95Å
46L91.1Very high89.8Confident3 Ų369.7 Ų69.72%0.01637%0.374CS..EExtended strand (participates in β ladder)trans-122.5135.5175.4-75.7171.1000110.9L23 L24 I25 T26 V50 K54 L55 L58L23-L46 HydrophobicContact CD1-CG 4.36Å; L23-L46 HydrophobicContact CD2-CD1 3.66Å; L23-L46 HydrophobicContact CD2-CG 4.33Å; L23-L46 HydrophobicContact CG-CD1 4.31Å; L24-L46 PolarHBondContact O-N 2.92Å; I25-L46 CarbonylContact C-O 3.57Å; I25-L46 WeakPolarHBondContact CA-O 3.43Å; T26-L46 PolarHBondContact N-O 3.43Å; L46-V50 HydrophobicContact CD1-CG1 4.07Å; L46-K54 HydrophobicContact CD2-CB 4.33Å; L46-K54 HydrophobicContact CD2-CD 3.67Å; L46-K54 HydrophobicContact CD2-CG 3.77Å; L46-L55 HydrophobicContact CD1-CB 3.88Å; L46-L55 HydrophobicContact CD1-CD1 3.39Å; L46-L55 HydrophobicContact CD1-CG 4.22Å; L46-L58 HydrophobicContact CD1-CD1 4.17Å; L46-L58 HydrophobicContact CD2-CD1 3.49Å; L46-L58 VanDerWaalsContact CD2-CD1 3.49Å; L46-L58 HydrophobicContact CG-CD1 3.71Å
47Q90.6Very high90.1Very high76 Ų7669.3 Ų69.336%0.35538%0.377SS..EExtended strand (participates in β ladder)trans-88.4145.8174.9-64.1179.46.500110.9T26 V31 F45 P49T26-Q47 HydrophobicContact CG2-CG 3.91Å; T26-Q47 CarbonylContact O-C 3.46Å; T26-Q47 WeakPolarHBondContact O-CA 3.42Å; V31-Q47 HydrophobicContact CG2-CG 4.11Å; F45-Q47 HydrophobicContact CD2-CG 4.35Å; F45-Q47 HydrophobicContact CE2-CG 3.95Å; Q47-P49 CarbonylContact O-C 3.41Å
48K89Confident90.4Very high128 Ų12869.9 Ų69.956%0.55738%0.38SS*.SBendtrans-80.9143.8170.4-68.9179.9-178.7178.40111.3I25 T26 V50I25-K48 HydrophobicContact CG2-CD 4.4Å; I25-K48 HydrophobicContact CG2-CG 3.86Å; T26-K48 PolarHBondContact O-N 3.34Å; K48-V50 HydrophobicContact CG-CG2 4.27Å
49P89.4Confident90.7Very high129 Ų12970.1 Ų70.184%0.83838%0.381SS*.SBendcis-68.8136.8-4.830-34.2000111.3Q47 D51Q47-P49 CarbonylContact O-C 3.41Å; P49-D51 PolarHBondContact O-N 3.46Å
50V88.4Confident91Very high45 Ų4567.5 Ų67.527%0.27337%0.371SS..PPolyproline II helixtrans-72.4121.1-175178.10000109.3I25 L46 K48 P52 L55I25-V50 HydrophobicContact CG2-CG2 3.65Å; L46-V50 HydrophobicContact CD1-CG1 4.07Å; K48-V50 HydrophobicContact CG-CG2 4.27Å; V50-P52 WeakPolarHBondContact O-CD 3.33Å; V50-L55 HydrophobicContact CG1-CB 3.84Å; V50-L55 HydrophobicContact CG1-CD2 4.1Å; V50-L55 HydrophobicContact CG1-CG 4.42Å
51D90.9Very high91.3Very high92 Ų9266.9 Ų66.949%0.49237%0.371SS..PPolyproline II helixtrans-70.1117.9169.2172.441.3000109.9P49 G53 K54 L55P49-D51 PolarHBondContact O-N 3.46Å; D51-G53 PolarHBondContact O-N 2.94Å; D51-G53 PolarHBondContact OD1-N 2.79Å; D51-K54 HydrophobicContact CB-CB 4.07Å; D51-K54 PolarHBondContact O-N 3.21Å; D51-K54 VanDerWaalsContact OD2-CB 3.31Å; D51-K54 WeakPolarHBondContact OD2-CB 3.43Å; D51-K54 PolarHBondContact OD2-N 2.89Å; D51-L55 PolarHBondContact O-N 3.26Å
52P92.3Very high91.7Very high91 Ų9165.6 Ų65.659%0.59136%0.356SS*.Hα-helixtrans-58.6-35.4-179.8-24.835.1000113.2V50 L55 L56V50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-L55 PolarHBondContact O-N 3.2Å; P52-L56 VanDerWaalsContact O-CG 3.3Å; P52-L56 WeakPolarHBondContact O-CG 3.34Å; P52-L56 PolarHBondContact O-N 3.41Å
53G93.8Very high91.9Very high43 Ų4369.7 Ų69.744%0.44338%0.377SS..Hα-helixtrans-63.9-51178.800000111.9D51 L55 L56 S57D51-G53 PolarHBondContact O-N 2.94Å; D51-G53 PolarHBondContact OD1-N 2.79Å; G53-L55 PolarHBondContact O-N 3.16Å; G53-L56 PolarHBondContact O-N 2.93Å; G53-S57 PolarHBondContact O-N 3.09Å; G53-S57 VanDerWaalsContact O-N 3.07Å
54K91.4Very high91.9Very high106 Ų10674.1 Ų74.146%0.46139%0.393SS..Hα-helixtrans-62.9-37.8175.6-167.2179.7177.3179.10113.1L46 D51 S57 L58L46-K54 HydrophobicContact CD2-CB 4.33Å; L46-K54 HydrophobicContact CD2-CD 3.67Å; L46-K54 HydrophobicContact CD2-CG 3.77Å; D51-K54 HydrophobicContact CB-CB 4.07Å; D51-K54 PolarHBondContact O-N 3.21Å; D51-K54 VanDerWaalsContact OD2-CB 3.31Å; D51-K54 WeakPolarHBondContact OD2-CB 3.43Å; D51-K54 PolarHBondContact OD2-N 2.89Å; K54-S57 PolarHBondContact O-N 3.2Å; K54-S57 PolarHBondContact O-OG 3.29Å; K54-L58 HydrophobicContact CG-CD1 4.36Å; K54-L58 WeakPolarHBondContact O-CB 3.36Å; K54-L58 WeakPolarHBondContact O-CG 3.38Å; K54-L58 PolarHBondContact O-N 3.3Å; K54-L58 VanDerWaalsContact O-N 3.1Å
55L93Very high91.7Very high57 Ų5776.5 Ų76.530%0.29840%0.403SS..Hα-helixtrans-61.5-48.5175.5174.664.1000111.3L23 L46 V50 D51 P52 G53 S57 L58 V59L23-L55 HydrophobicContact CD2-CD1 3.76Å; L46-L55 HydrophobicContact CD1-CB 3.88Å; L46-L55 HydrophobicContact CD1-CD1 3.39Å; L46-L55 HydrophobicContact CD1-CG 4.22Å; V50-L55 HydrophobicContact CG1-CB 3.84Å; V50-L55 HydrophobicContact CG1-CD2 4.1Å; V50-L55 HydrophobicContact CG1-CG 4.42Å; D51-L55 PolarHBondContact O-N 3.26Å; P52-L55 PolarHBondContact O-N 3.2Å; G53-L55 PolarHBondContact O-N 3.16Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.12Å; L55-L58 PolarHBondContact O-N 3.03Å; L55-V59 HydrophobicContact CD1-CG2 3.87Å; L55-V59 HydrophobicContact CG-CG2 4.37Å; L55-V59 WeakPolarHBondContact O-CB 3.3Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.42Å; L55-V59 PolarHBondContact O-N 3.36Å
56L94.3Very high91.7Very high107 Ų10777 Ų7756%0.5640%0.403SS*.Hα-helixtrans-60.3-45179.3-72.7170.6000111.3P52 G53 L58 V59 E60P52-L56 VanDerWaalsContact O-CG 3.3Å; P52-L56 WeakPolarHBondContact O-CG 3.34Å; P52-L56 PolarHBondContact O-N 3.41Å; G53-L56 PolarHBondContact O-N 2.93Å; L56-L58 PolarHBondContact O-N 2.74Å; L56-V59 PolarHBondContact O-N 3.01Å; L56-E60 WeakPolarHBondContact O-CB 3.31Å; L56-E60 WeakPolarHBondContact O-CG 3.2Å; L56-E60 PolarHBondContact O-N 3.25Å
57S93.4Very high91.6Very high56 Ų5682.8 Ų82.839%0.39243%0.431SS..Hα-helixtrans-61.8-44.5179.867.60000112.8G53 K54 L55 E60 E61G53-S57 PolarHBondContact O-N 3.09Å; G53-S57 VanDerWaalsContact O-N 3.07Å; K54-S57 PolarHBondContact O-N 3.2Å; K54-S57 PolarHBondContact O-OG 3.29Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.12Å; S57-E60 PolarHBondContact O-N 3.33Å; S57-E61 PolarHBondContact O-N 3.06Å
58L93.5Very high91.4Very high13 Ų1383.1 Ų83.17%0.06844%0.441CS..Hα-helixtrans-66.2-41.3178.6-72.8-177.3000111.5L23 W43 D44 L46 K54 L55 L56 E61 A62L23-L58 HydrophobicContact CD1-CB 4.35Å; L23-L58 HydrophobicContact CD1-CD1 3.79Å; L23-L58 HydrophobicContact CD2-CB 4.2Å; W43-L58 HydrophobicContact CH2-CB 4.45Å; W43-L58 HydrophobicContact CH2-CD2 4.04Å; W43-L58 VanDerWaalsContact CH2-O 3.31Å; W43-L58 WeakPolarHBondContact CH2-O 3.38Å; W43-L58 HydrophobicContact CZ3-CB 3.87Å; W43-L58 HydrophobicContact CZ3-CD2 3.77Å; W43-L58 HydrophobicContact CZ3-CG 4.32Å; W43-L58 WeakPolarHBondContact CZ3-O 3.38Å; D44-L58 WeakPolarHBondContact OD2-CD2 3.46Å; L46-L58 HydrophobicContact CD1-CD1 4.17Å; L46-L58 HydrophobicContact CD2-CD1 3.49Å; L46-L58 VanDerWaalsContact CD2-CD1 3.49Å; L46-L58 HydrophobicContact CG-CD1 3.71Å; K54-L58 HydrophobicContact CG-CD1 4.36Å; K54-L58 WeakPolarHBondContact O-CB 3.36Å; K54-L58 WeakPolarHBondContact O-CG 3.38Å; K54-L58 PolarHBondContact O-N 3.3Å; K54-L58 VanDerWaalsContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.03Å; L56-L58 PolarHBondContact O-N 2.74Å; L58-E61 PolarHBondContact O-N 2.98Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 2.97Å
59V94.1Very high91.1Very high57 Ų5778.4 Ų78.435%0.34542%0.422SS..Hα-helixtrans-64.3-43176.1170.30000111.1L23 L55 L56 E61 A62 L63L23-V59 HydrophobicContact CD2-CG2 4.28Å; L55-V59 HydrophobicContact CD1-CG2 3.87Å; L55-V59 HydrophobicContact CG-CG2 4.37Å; L55-V59 WeakPolarHBondContact O-CB 3.3Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.42Å; L55-V59 PolarHBondContact O-N 3.36Å; L56-V59 PolarHBondContact O-N 3.01Å; V59-E61 PolarHBondContact O-N 3.21Å; V59-A62 PolarHBondContact O-N 2.79Å; V59-L63 HydrophobicContact CG1-CD1 3.82Å; V59-L63 HydrophobicContact CG1-CG 4.24Å; V59-L63 VanDerWaalsContact O-CB 3.31Å; V59-L63 WeakPolarHBondContact O-CB 3.49Å; V59-L63 VanDerWaalsContact O-CG 3.22Å; V59-L63 WeakPolarHBondContact O-CG 3.14Å; V59-L63 PolarHBondContact O-N 3Å
60E93.8Very high91Very high115 Ų11575.3 Ų75.354%0.53740%0.398SS..Hα-helixtrans-62.5-40.1176.8-77.2178.4-177.500112.6L56 S57 R64L56-E60 WeakPolarHBondContact O-CB 3.31Å; L56-E60 WeakPolarHBondContact O-CG 3.2Å; L56-E60 PolarHBondContact O-N 3.25Å; S57-E60 PolarHBondContact O-N 3.33Å; E60-R64 WeakPolarHBondContact O-CB 3.35Å; E60-R64 VanDerWaalsContact O-CG 3.28Å; E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 3.21Å; E60-R64 PolarHBondContact O-NE 3.4Å
61E92.6Very high90.7Very high102 Ų10275.7 Ų75.748%0.47741%0.405SS..Hα-helixtrans-68.4-46.7176.4-168.4178.2-179.200112.1W43 S57 L58 V59 L63 R64 Q65W43-E61 HydrophobicContact CH2-CB 3.77Å; W43-E61 HydrophobicContact CH2-CG 3.99Å; W43-E61 HydrophobicContact CZ2-CB 3.94Å; W43-E61 HydrophobicContact CZ2-CG 3.77Å; S57-E61 PolarHBondContact O-N 3.06Å; L58-E61 PolarHBondContact O-N 2.98Å; V59-E61 PolarHBondContact O-N 3.21Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.15Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-Q65 PolarHBondContact O-N 3.24Å
62A92.5Very high90.2Very high12 Ų1278.1 Ų78.110%0.09941%0.408CS..Hα-helixtrans-57.4-44.3174.200000112P21 W43 L58 V59 Q65 R66P21-A62 HydrophobicContact CB-CB 3.82Å; P21-A62 HydrophobicContact CG-CB 3.95Å; W43-A62 HydrophobicContact CD2-CB 3.97Å; W43-A62 HydrophobicContact CE3-CB 4.06Å; W43-A62 HydrophobicContact CH2-CB 4.21Å; W43-A62 HydrophobicContact CZ2-CB 4.08Å; W43-A62 HydrophobicContact CZ3-CB 4.17Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 2.97Å; V59-A62 PolarHBondContact O-N 2.79Å; A62-Q65 PolarHBondContact O-N 2.92Å; A62-R66 WeakPolarHBondContact O-CB 3.38Å; A62-R66 PolarHBondContact O-N 3.31Å
63L93.2Very high89.6Confident92 Ų9276 Ų7648%0.48239%0.388SS..Hα-helixtrans-65-42.9177-74.9174.9000112V59 E61 Q65 R66 Q67V59-L63 HydrophobicContact CG1-CD1 3.82Å; V59-L63 HydrophobicContact CG1-CG 4.24Å; V59-L63 VanDerWaalsContact O-CB 3.31Å; V59-L63 WeakPolarHBondContact O-CB 3.49Å; V59-L63 VanDerWaalsContact O-CG 3.22Å; V59-L63 WeakPolarHBondContact O-CG 3.14Å; V59-L63 PolarHBondContact O-N 3Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.15Å; L63-Q65 PolarHBondContact O-N 2.85Å; L63-R66 PolarHBondContact O-N 3.14Å; L63-Q67 WeakPolarHBondContact O-CB 3.1Å; L63-Q67 VanDerWaalsContact O-CG 3.23Å; L63-Q67 WeakPolarHBondContact O-CG 3.28Å; L63-Q67 PolarHBondContact O-N 2.96Å
64R90.3Very high88.8Confident147 Ų14778.9 Ų78.956%0.55539%0.39SS*.Hα-helixtrans-60.4-44.2176-79.6-177.7-67.8169.20.8112E60 E61 S68E60-R64 WeakPolarHBondContact O-CB 3.35Å; E60-R64 VanDerWaalsContact O-CG 3.28Å; E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 3.21Å; E60-R64 PolarHBondContact O-NE 3.4Å; E61-R64 PolarHBondContact O-N 3.46Å; R64-S68 PolarHBondContact O-N 3.49Å; R64-S68 PolarHBondContact O-OG 2.97Å
65Q88.1Confident88.2Confident98 Ų9880.2 Ų80.246%0.45839%0.393SS..Hα-helixtrans-63-46.5175.8-175.7178.2000110.9E61 A62 L63 Q67 S68 I69E61-Q65 PolarHBondContact O-N 3.24Å; A62-Q65 PolarHBondContact O-N 2.92Å; L63-Q65 PolarHBondContact O-N 2.85Å; Q65-Q67 PolarHBondContact O-N 3.04Å; Q65-S68 WeakPolarHBondContact O-CB 3.31Å; Q65-S68 PolarHBondContact O-N 2.85Å; Q65-I69 HydrophobicContact CG-CD1 4.12Å; Q65-I69 WeakPolarHBondContact O-CG1 3.41Å; Q65-I69 PolarHBondContact O-N 2.75Å
66R90.5Very high87.3Confident47 Ų4777.8 Ų77.818%0.17738%0.381CS..Hα-helixtrans-62.7-43.2179.1-177.557.6177.7173.43.7112.4D17 Q19 P21 A62 L63 S68 I69 I70D17-R66 IonicContact OD1-NH1 2.68Å; D17-R66 IonicContact OD2-CZ 3.81Å; D17-R66 IonicContact OD2-NH1 3.46Å; D17-R66 PolarHBondContact OD2-NH1 3.23Å; D17-R66 IonicContact OD2-NH2 3.62Å; D17-R66 PolarHBondContact OD2-NH2 3.27Å; Q19-R66 PolarHBondContact O-NH1 3.1Å; Q19-R66 VanDerWaalsContact O-NH1 3.15Å; P21-R66 HydrophobicContact CG-CB 4.11Å; A62-R66 WeakPolarHBondContact O-CB 3.38Å; A62-R66 PolarHBondContact O-N 3.31Å; L63-R66 PolarHBondContact O-N 3.14Å; R66-S68 VanDerWaalsContact C-N 3.31Å; R66-S68 PolarHBondContact O-N 3.48Å; R66-I69 PolarHBondContact O-N 3.34Å; R66-I70 HydrophobicContact CG-CD1 3.89Å; R66-I70 HydrophobicContact CG-CG1 4.44Å; R66-I70 WeakPolarHBondContact O-CG1 3.39Å; R66-I70 PolarHBondContact O-N 3.42Å
67Q89Confident86.2Confident126 Ų12677 Ų7759%0.58937%0.374SS*.Hα-helixtrans-58.7-44.2175.2-77.7174-1.500111.1L63 Q65 I69 I70 A71L63-Q67 WeakPolarHBondContact O-CB 3.1Å; L63-Q67 VanDerWaalsContact O-CG 3.23Å; L63-Q67 WeakPolarHBondContact O-CG 3.28Å; L63-Q67 PolarHBondContact O-N 2.96Å; Q65-Q67 PolarHBondContact O-N 3.04Å; Q67-I69 VanDerWaalsContact C-N 3.33Å; Q67-I69 PolarHBondContact O-N 2.8Å; Q67-I70 PolarHBondContact O-N 2.99Å; Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å
68S85.1Confident85.3Confident82 Ų8280 Ų8057%0.57338%0.382SS*.Hα-helixtrans-61.5-41.7177.8-57.30000112R64 Q65 R66 R72R64-S68 PolarHBondContact O-N 3.49Å; R64-S68 PolarHBondContact O-OG 2.97Å; Q65-S68 WeakPolarHBondContact O-CB 3.31Å; Q65-S68 PolarHBondContact O-N 2.85Å; R66-S68 VanDerWaalsContact C-N 3.31Å; R66-S68 PolarHBondContact O-N 3.48Å; S68-R72 WeakPolarHBondContact O-CB 3.5Å; S68-R72 PolarHBondContact O-N 3.15Å
69I84.5Confident84.6Confident30 Ų3080.3 Ų80.315%0.15438%0.384CS..Hα-helixtrans-65.7-47.9176.8-70.4172.7000111.6Q19 Q65 R66 Q67 R72 R73Q19-I69 HydrophobicContact CB-CD1 3.98Å; Q19-I69 HydrophobicContact CB-CG2 4.08Å; Q19-I69 HydrophobicContact CG-CD1 4.42Å; Q65-I69 HydrophobicContact CG-CD1 4.12Å; Q65-I69 WeakPolarHBondContact O-CG1 3.41Å; Q65-I69 PolarHBondContact O-N 2.75Å; R66-I69 PolarHBondContact O-N 3.34Å; Q67-I69 VanDerWaalsContact C-N 3.33Å; Q67-I69 PolarHBondContact O-N 2.8Å; I69-R72 PolarHBondContact O-N 3.05Å; I69-R73 WeakPolarHBondContact O-CG 3.48Å; I69-R73 PolarHBondContact O-N 3.41Å
70I85.4Confident83.7Confident63 Ų6377.6 Ų77.632%0.32337%0.368SS..Hα-helixtrans-61.5-46.3177.6-68.9170.5000110.3R66 Q67 R72 R73 Q74R66-I70 HydrophobicContact CG-CD1 3.89Å; R66-I70 HydrophobicContact CG-CG1 4.44Å; R66-I70 WeakPolarHBondContact O-CG1 3.39Å; R66-I70 PolarHBondContact O-N 3.42Å; Q67-I70 PolarHBondContact O-N 2.99Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.23Å; I70-R73 PolarHBondContact O-N 3.2Å; I70-Q74 HydrophobicContact CG2-CG 4.24Å; I70-Q74 WeakPolarHBondContact O-CB 3.33Å; I70-Q74 WeakPolarHBondContact O-CG 3.25Å; I70-Q74 PolarHBondContact O-N 2.95Å
71A82.6Confident82.8Confident53 Ų5377 Ų7744%0.43837%0.365SS..Hα-helixtrans-60-43.8178.200000111.3Q67 Q74 Y75Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å; A71-Q74 PolarHBondContact O-N 2.91Å; A71-Y75 WeakPolarHBondContact O-CB 3.48Å; A71-Y75 PolarHBondContact O-N 3.4Å
72R81.2Confident82Confident143 Ų14376.8 Ų76.854%0.5437%0.371SS..Hα-helixtrans-59-50.1173.5-178.7176.1174.8175.6-0.8111S68 I69 I70 Q74 Y75 C76 F128S68-R72 WeakPolarHBondContact O-CB 3.5Å; S68-R72 PolarHBondContact O-N 3.15Å; I69-R72 PolarHBondContact O-N 3.05Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.23Å; R72-Q74 PolarHBondContact O-N 3.44Å; R72-Y75 PolarHBondContact O-N 3.26Å; R72-C76 WeakPolarHBondContact O-CB 3.44Å; R72-C76 PolarHBondContact O-N 3.24Å; R72-C76 PolarHBondContact O-SG 3.39Å; R72-F128 PolarHBondContact NH2-O 3.23Å
73R78.8Confident81.4Confident48 Ų4880 Ų8018%0.18138%0.383CS..Hα-helixtrans-60.2-42.9179.1-76.3177.3170.6165.2-2.2112.3D17 I69 I70 C76 Q77 E103D17-R73 IonicContact OD1-CZ 2.86Å; D17-R73 IonicContact OD1-NH1 3.31Å; D17-R73 PolarHBondContact OD1-NH1 3.23Å; D17-R73 VanDerWaalsContact OD1-NH1 3.13Å; D17-R73 IonicContact OD1-NH2 3.54Å; D17-R73 PolarHBondContact OD1-NH2 3.4Å; D17-R73 IonicContact OD2-CZ 2.92Å; D17-R73 IonicContact OD2-NH1 3.47Å; D17-R73 PolarHBondContact OD2-NH1 3.05Å; D17-R73 IonicContact OD2-NH2 3.54Å; I69-R73 WeakPolarHBondContact O-CG 3.48Å; I69-R73 PolarHBondContact O-N 3.41Å; I70-R73 PolarHBondContact O-N 3.2Å; R73-C76 WeakPolarHBondContact O-CB 3.45Å; R73-C76 PolarHBondContact O-N 3.06Å; R73-Q77 WeakPolarHBondContact O-CB 3.35Å; R73-Q77 PolarHBondContact O-N 3.04Å; R73-E103 IonicContact CZ-OE1 2.95Å; R73-E103 IonicContact NE-OE1 2.74Å; R73-E103 PolarHBondContact NE-OE1 3.41Å; R73-E103 IonicContact NH2-OE1 3.83Å; R73-E103 PolarHBondContact NH2-OE1 3.08Å; R73-E103 IonicContact NH2-OE2 3.32Å
74Q78.3Confident81Confident103 Ų10376.2 Ų76.248%0.48136%0.364SS..Hα-helixtrans-63.3-44.2176.1-74.8177.3-15.100111.8I70 A71 R72 Q77 Q78I70-Q74 HydrophobicContact CG2-CG 4.24Å; I70-Q74 WeakPolarHBondContact O-CB 3.33Å; I70-Q74 WeakPolarHBondContact O-CG 3.25Å; I70-Q74 PolarHBondContact O-N 2.95Å; A71-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-N 3.44Å; Q74-Q77 PolarHBondContact O-N 3.25Å; Q74-Q78 VanDerWaalsContact O-CG 3.3Å; Q74-Q78 WeakPolarHBondContact O-CG 3.5Å; Q74-Q78 PolarHBondContact O-N 3.24Å
75Y78.9Confident81Confident133 Ų13370.3 Ų70.352%0.52234%0.343SS..Hα-helixtrans-60.4-48.2175.4179.8-102.8000111.3A71 R72 Q77 Q78 T79 F128A71-Y75 WeakPolarHBondContact O-CB 3.48Å; A71-Y75 PolarHBondContact O-N 3.4Å; R72-Y75 PolarHBondContact O-N 3.26Å; Y75-Q77 VanDerWaalsContact C-N 3.27Å; Y75-Q77 PolarHBondContact O-N 3.09Å; Y75-Q78 PolarHBondContact O-N 3.41Å; Y75-Q78 VanDerWaalsContact O-N 3.16Å; Y75-T79 PolarHBondContact O-N 2.98Å; Y75-T79 PolarHBondContact O-OG1 3.48Å; Y75-T79 VanDerWaalsContact O-OG1 3.07Å; Y75-F128 AromaticContact CD1-CE1 3.73Å; Y75-F128 HydrophobicContact CD1-CE1 3.73Å; Y75-F128 HydrophobicContact CD1-CZ 4.28Å; Y75-F128 AromaticContact CE1-CE1 3.69Å; Y75-F128 HydrophobicContact CE1-CE1 3.69Å; Y75-F128 AromaticContact CE1-CZ 3.99Å; Y75-F128 HydrophobicContact CE1-CZ 3.99Å
76C74Confident81.1Confident7 Ų766.1 Ų66.15%0.04733%0.326CS..Hα-helixtrans-55.7-42.6175.4-62.60000111.7R72 R73 L80 Y124 F128R72-C76 WeakPolarHBondContact O-CB 3.44Å; R72-C76 PolarHBondContact O-N 3.24Å; R72-C76 PolarHBondContact O-SG 3.39Å; R73-C76 WeakPolarHBondContact O-CB 3.45Å; R73-C76 PolarHBondContact O-N 3.06Å; C76-L80 WeakPolarHBondContact O-CG 3.36Å; C76-L80 PolarHBondContact O-N 3.21Å; C76-L80 VanDerWaalsContact O-N 3.08Å; C76-Y124 WeakPolarHBondContact CB-OH 3.42Å; C76-Y124 PolarHBondContact O-OH 2.94Å; C76-F128 HydrophobicContact CB-CD1 4.08Å; C76-F128 HydrophobicContact CB-CE1 4.33Å; C76-F128 HydrophobicContact CB-CG 4.3Å; C76-F128 WeakPolarHBondContact SG-CD1 3.42Å
77Q71.1Confident81.1Confident91 Ų9172.5 Ų72.543%0.42535%0.35SS..Hα-helixtrans-68-40.8178.8-173.3-178.13.100112.1R73 Q74 Y75 L80 Q81R73-Q77 WeakPolarHBondContact O-CB 3.35Å; R73-Q77 PolarHBondContact O-N 3.04Å; Q74-Q77 PolarHBondContact O-N 3.25Å; Y75-Q77 VanDerWaalsContact C-N 3.27Å; Y75-Q77 PolarHBondContact O-N 3.09Å; Q77-L80 PolarHBondContact O-N 2.97Å; Q77-Q81 WeakPolarHBondContact O-CG 3.39Å; Q77-Q81 PolarHBondContact O-N 3.39Å; Q77-Q81 VanDerWaalsContact O-N 3.12Å
78Q74.8Confident81.4Confident118 Ų11866.8 Ų66.855%0.55132%0.324SS*.Hα-helixtrans-64.6-43.1175.5-73.1172.30.800111.1Q74 Y75 L80 Q81 V82Q74-Q78 VanDerWaalsContact O-CG 3.3Å; Q74-Q78 WeakPolarHBondContact O-CG 3.5Å; Q74-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 PolarHBondContact O-N 3.41Å; Y75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.42Å; Q78-Q81 PolarHBondContact O-N 2.97Å; Q78-Q81 VanDerWaalsContact O-N 3.13Å; Q78-V82 WeakPolarHBondContact O-CG2 3.39Å; Q78-V82 PolarHBondContact O-N 3.11Å; Q78-V82 VanDerWaalsContact O-N 3.16Å
79T77.3Confident81.8Confident19 Ų1969.6 Ų69.612%0.11733%0.328CS..Hα-helixtrans-59.3-44.4174.8-54.70000111.4Y75 Q81 V82 E83 F128Y75-T79 PolarHBondContact O-N 2.98Å; Y75-T79 PolarHBondContact O-OG1 3.48Å; Y75-T79 VanDerWaalsContact O-OG1 3.07Å; T79-Q81 VanDerWaalsContact C-N 3.3Å; T79-Q81 PolarHBondContact O-N 2.93Å; T79-V82 PolarHBondContact O-N 3.37Å; T79-V82 VanDerWaalsContact O-N 3.12Å; T79-E83 HydrophobicContact CG2-CG 4.02Å; T79-E83 WeakPolarHBondContact O-CB 3.15Å; T79-E83 WeakPolarHBondContact O-CG 3.46Å; T79-E83 PolarHBondContact O-N 3.24Å; T79-F128 HydrophobicContact CG2-CE2 3.76Å; T79-F128 HydrophobicContact CG2-CZ 3.76Å
80L76.4Confident82.2Confident1 Ų169.8 Ų69.81%0.00533%0.327CS..Hα-helixtrans-59-38.1174.6-78.7173.9000113.4C76 Q77 Q78 V82 L84 R95 L98 Q99 Y124C76-L80 WeakPolarHBondContact O-CG 3.36Å; C76-L80 PolarHBondContact O-N 3.21Å; C76-L80 VanDerWaalsContact O-N 3.08Å; Q77-L80 PolarHBondContact O-N 2.97Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.42Å; L80-V82 VanDerWaalsContact C-N 3.26Å; L80-V82 PolarHBondContact O-N 3.41Å; L80-L84 HydrophobicContact CD2-CD1 3.7Å; L80-L84 CarbonylContact O-C 3.39Å; L80-L84 WeakPolarHBondContact O-CA 3.47Å; L80-L84 WeakPolarHBondContact O-CB 3.14Å; L80-L84 PolarHBondContact O-N 3.33Å; L80-R95 HydrophobicContact CB-CB 4.49Å; L80-R95 HydrophobicContact CB-CG 4.05Å; L80-R95 HydrophobicContact CD1-CB 3.98Å; L80-R95 HydrophobicContact CD1-CG 4.36Å; L80-R95 WeakPolarHBondContact CD1-O 3.31Å; L80-L98 HydrophobicContact CD2-CD1 4.14Å; L80-Q99 HydrophobicContact CD1-CB 4.34Å; L80-Y124 HydrophobicContact CB-CE2 4.44Å; L80-Y124 HydrophobicContact CD1-CE1 3.93Å; L80-Y124 HydrophobicContact CD1-CE2 3.86Å; L80-Y124 VanDerWaalsContact CD1-CZ 3.43Å; L80-Y124 WeakPolarHBondContact CD1-OH 3.37Å; L80-Y124 HydrophobicContact CD2-CD1 3.83Å; L80-Y124 HydrophobicContact CD2-CD2 3.32Å; L80-Y124 HydrophobicContact CD2-CE1 3.84Å; L80-Y124 HydrophobicContact CD2-CE2 3.39Å; L80-Y124 HydrophobicContact CD2-CG 3.55Å; L80-Y124 HydrophobicContact CG-CD2 3.72Å; L80-Y124 HydrophobicContact CG-CE1 4.06Å; L80-Y124 HydrophobicContact CG-CE2 3.21Å; L80-Y124 HydrophobicContact CG-CG 4.33Å
81Q73.8Confident82.6Confident102 Ų10266.9 Ų66.948%0.47731%0.312SS..Hα-helixtrans-67.5-31.6179-72.3178.58.600111.9Q77 Q78 T79Q77-Q81 WeakPolarHBondContact O-CG 3.39Å; Q77-Q81 PolarHBondContact O-N 3.39Å; Q77-Q81 VanDerWaalsContact O-N 3.12Å; Q78-Q81 PolarHBondContact O-N 2.97Å; Q78-Q81 VanDerWaalsContact O-N 3.13Å; T79-Q81 VanDerWaalsContact C-N 3.3Å; T79-Q81 PolarHBondContact O-N 2.93Å
82V76.6Confident83.1Confident98 Ų9867.6 Ų67.659%0.59431%0.309SS*.Hα-helixtrans-82.7-37.6178.2179.20000112Q78 T79 L80 I85Q78-V82 WeakPolarHBondContact O-CG2 3.39Å; Q78-V82 PolarHBondContact O-N 3.11Å; Q78-V82 VanDerWaalsContact O-N 3.16Å; T79-V82 PolarHBondContact O-N 3.37Å; T79-V82 VanDerWaalsContact O-N 3.12Å; L80-V82 VanDerWaalsContact C-N 3.26Å; L80-V82 PolarHBondContact O-N 3.41Å; V82-I85 WeakPolarHBondContact O-CD1 3.49Å; V82-I85 VanDerWaalsContact O-CG1 3.26Å; V82-I85 WeakPolarHBondContact O-CG1 3.33Å
83E79.2Confident83.7Confident78 Ų7864.4 Ų64.436%0.36430%0.3SS..Hα-helixtrans-87.7-39.5-176.8-68.1-170.9164.300113.6T79 T120T79-E83 HydrophobicContact CG2-CG 4.02Å; T79-E83 WeakPolarHBondContact O-CB 3.15Å; T79-E83 WeakPolarHBondContact O-CG 3.46Å; T79-E83 PolarHBondContact O-N 3.24Å; E83-T120 HydrophobicContact CB-CG2 4.17Å
84L86Confident84.4Confident13 Ų1362.3 Ų62.37%0.06829%0.292CS..SBendtrans-110.172.6-178.3-78172.2000109.2L80 I91 Y94 R95 L98 T120L80-L84 HydrophobicContact CD2-CD1 3.7Å; L80-L84 CarbonylContact O-C 3.39Å; L80-L84 WeakPolarHBondContact O-CA 3.47Å; L80-L84 WeakPolarHBondContact O-CB 3.14Å; L80-L84 PolarHBondContact O-N 3.33Å; L84-I91 HydrophobicContact CB-CD1 4.2Å; L84-Y94 HydrophobicContact CD1-CD1 3.84Å; L84-Y94 HydrophobicContact CD1-CE1 3.54Å; L84-Y94 HydrophobicContact CD2-CD1 4.41Å; L84-Y94 HydrophobicContact CD2-CE1 3.91Å; L84-Y94 HydrophobicContact CG-CE1 4.37Å; L84-R95 HydrophobicContact CB-CG 4.49Å; L84-R95 PolarHBondContact O-NE 3.02Å; L84-R95 PolarHBondContact O-NH2 3.43Å; L84-L98 HydrophobicContact CD1-CD1 3.4Å; L84-T120 HydrophobicContact CD2-CG2 3.73Å; L84-T120 HydrophobicContact CG-CG2 3.84Å
85I89.1Confident85.1Confident23 Ų2358.7 Ų58.712%0.11827%0.274CS..  trans-72.5142.2-172-59.3170.1000111.5V82 P234 L235 H238V82-I85 WeakPolarHBondContact O-CD1 3.49Å; V82-I85 VanDerWaalsContact O-CG1 3.26Å; V82-I85 WeakPolarHBondContact O-CG1 3.33Å; I85-P234 HydrophobicContact CG2-CB 3.76Å; I85-L235 HydrophobicContact CB-CD2 3.8Å; I85-L235 HydrophobicContact CB-CG 4.4Å; I85-L235 HydrophobicContact CG2-CD2 4.3Å; I85-L235 HydrophobicContact CG2-CG 4.41Å; I85-H238 HydrophobicContact CD1-CB 3.43Å; I85-H238 VanDerWaalsContact CD1-CB 3.43Å; I85-H238 WeakPolarHBondContact CD1-CD2 3.21Å; I85-H238 WeakPolarHBondContact CD1-ND1 3.45Å
86G90Very high85.7Confident10 Ų1059.3 Ų59.310%0.10328%0.275CS..  trans153.8170.2178.700000112.7R95 D231G86-R95 VanDerWaalsContact N-NH2 3.17Å; G86-R95 PolarHBondContact O-NH2 3.33Å; G86-D231 VanDerWaalsContact C-OD1 3.31Å; G86-D231 WeakPolarHBondContact CA-OD1 3.39Å
87R91.8Very high86.7Confident181 Ų18165 Ų6568%0.68330%0.296SS*.  trans-127.2-10.1-179.2-64.3177.9-179.2173.30.8113.3D231 P234R87-D231 PolarHBondContact N-OD1 3.09Å; R87-P234 HydrophobicContact CG-CG 4.07Å
88S93.6Very high87.7Confident7 Ų760.6 Ų60.65%0.04928%0.275CS..SBendtrans-58155.2-179.968.10000112.4W90 I91 N92 D231S88-W90 PolarHBondContact O-N 3.23Å; S88-I91 VanDerWaalsContact O-CG2 3.26Å; S88-I91 WeakPolarHBondContact O-CG2 3.36Å; S88-I91 PolarHBondContact O-N 2.92Å; S88-I91 PolarHBondContact OG-N 3.15Å; S88-I91 VanDerWaalsContact OG-N 3.1Å; S88-N92 PolarHBondContact O-N 3.3Å; S88-N92 PolarHBondContact O-ND2 3.3Å; S88-N92 VanDerWaalsContact O-ND2 3.16Å; S88-D231 VanDerWaalsContact CB-OD1 3.28Å; S88-D231 WeakPolarHBondContact CB-OD1 3.14Å; S88-D231 PolarHBondContact N-OD1 3.19Å; S88-D231 VanDerWaalsContact OG-CG 3.24Å; S88-D231 PolarHBondContact OG-OD1 3.4Å; S88-D231 VanDerWaalsContact OG-OD1 3.13Å; S88-D231 PolarHBondContact OG-OD2 3.27Å
89E93.6Very high88.5Confident140 Ų14056.9 Ų56.965%0.65426%0.258SS*.Hα-helixtrans-59.7-38.9172.6-165.8-173.4163.600111I91 N92 Q93E89-I91 PolarHBondContact O-N 2.92Å; E89-N92 PolarHBondContact O-N 3.08Å; E89-Q93 HydrophobicContact CG-CG 4.49Å; E89-Q93 WeakPolarHBondContact O-CG 3.34Å; E89-Q93 PolarHBondContact O-N 3.01Å; E89-Q93 PolarHBondContact OE1-NE2 2.98Å
90W94.4Very high89.1Confident35 Ų3562.2 Ų62.213%0.13328%0.282CS..Hα-helixtrans-57.6-50.1177.8176.778.6000112.2S88 N92 Q93 Y94 A221 C222 L223 R228S88-W90 PolarHBondContact O-N 3.23Å; W90-N92 VanDerWaalsContact C-N 3.26Å; W90-N92 PolarHBondContact O-N 3.2Å; W90-Q93 PolarHBondContact O-N 3.23Å; W90-Y94 AromaticContact CH2-CD1 3.83Å; W90-Y94 HydrophobicContact CH2-CD1 3.83Å; W90-Y94 HydrophobicContact CH2-CD2 4.18Å; W90-Y94 HydrophobicContact CH2-CE1 4.24Å; W90-Y94 AromaticContact CH2-CG 3.8Å; W90-Y94 HydrophobicContact CH2-CG 3.8Å; W90-Y94 HydrophobicContact CZ2-CD1 4.2Å; W90-Y94 AromaticContact CZ2-CD2 3.73Å; W90-Y94 HydrophobicContact CZ2-CD2 3.73Å; W90-Y94 HydrophobicContact CZ2-CE2 4.3Å; W90-Y94 AromaticContact CZ2-CG 3.71Å; W90-Y94 HydrophobicContact CZ2-CG 3.71Å; W90-Y94 HydrophobicContact CZ3-CD1 4.47Å; W90-Y94 WeakPolarHBondContact O-CB 3.36Å; W90-Y94 PolarHBondContact O-N 3.15Å; W90-A221 WeakPolarHBondContact CZ2-O 3.18Å; W90-A221 PolarHBondContact NE1-O 3.1Å; W90-C222 HydrophobicContact CZ2-CB 4.4Å; W90-L223 HydrophobicContact CB-CD1 3.91Å; W90-L223 VanDerWaalsContact CD1-CG 3.44Å; W90-L223 HydrophobicContact CD2-CB 4.03Å; W90-L223 HydrophobicContact CD2-CD1 4.25Å; W90-L223 HydrophobicContact CD2-CG 4.13Å; W90-L223 HydrophobicContact CG-CB 4.18Å; W90-L223 HydrophobicContact CG-CD1 3.51Å; W90-L223 HydrophobicContact CG-CG 3.85Å; W90-R228 VanDerWaalsContact CZ3-NH1 3.35Å
91I93.8Very high89.9Confident1 Ų163.2 Ų63.21%0.00529%0.287CS..Hα-helixtrans-64.8-34.3-178.8-163.873.4000111.2L84 S88 E89 Y94 R95L84-I91 HydrophobicContact CB-CD1 4.2Å; S88-I91 VanDerWaalsContact O-CG2 3.26Å; S88-I91 WeakPolarHBondContact O-CG2 3.36Å; S88-I91 PolarHBondContact O-N 2.92Å; S88-I91 PolarHBondContact OG-N 3.15Å; S88-I91 VanDerWaalsContact OG-N 3.1Å; E89-I91 PolarHBondContact O-N 2.92Å; I91-Y94 HydrophobicContact CD1-CD1 4.13Å; I91-Y94 PolarHBondContact O-N 3.43Å; I91-R95 WeakPolarHBondContact O-CB 3.48Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.33Å; I91-R95 PolarHBondContact O-N 2.86Å
92N92.7Very high90.8Very high69 Ų6958.7 Ų58.737%0.36927%0.267SS..Hα-helixtrans-67.9-39.1176.2-69.3-35.1000112.2S88 E89 W90 R95 R96S88-N92 PolarHBondContact O-N 3.3Å; S88-N92 PolarHBondContact O-ND2 3.3Å; S88-N92 VanDerWaalsContact O-ND2 3.16Å; E89-N92 PolarHBondContact O-N 3.08Å; W90-N92 VanDerWaalsContact C-N 3.26Å; W90-N92 PolarHBondContact O-N 3.2Å; N92-R95 PolarHBondContact OD1-NH1 3.08Å; N92-R96 WeakPolarHBondContact O-CG 3.31Å; N92-R96 PolarHBondContact O-N 3.1Å; N92-R96 PolarHBondContact O-NE 2.76Å
93Q93.6Very high91.3Very high76 Ų7657.5 Ų57.536%0.35526%0.255SS..Hα-helixtrans-67.3-41.7171.7-68.3-179.315.500111.6E89 W90 R96 R97E89-Q93 HydrophobicContact CG-CG 4.49Å; E89-Q93 WeakPolarHBondContact O-CG 3.34Å; E89-Q93 PolarHBondContact O-N 3.01Å; E89-Q93 PolarHBondContact OE1-NE2 2.98Å; W90-Q93 PolarHBondContact O-N 3.23Å; Q93-R96 PolarHBondContact O-N 2.85Å; Q93-R97 PolarHBondContact O-N 3.19Å
94Y94Very high91.8Very high3 Ų355.9 Ų55.91%0.01225%0.25CS..Hα-helixtrans-59.4-50178-173.2-119000111.6L84 W90 I91 R96 R97 L98 L110 I220L84-Y94 HydrophobicContact CD1-CD1 3.84Å; L84-Y94 HydrophobicContact CD1-CE1 3.54Å; L84-Y94 HydrophobicContact CD2-CD1 4.41Å; L84-Y94 HydrophobicContact CD2-CE1 3.91Å; L84-Y94 HydrophobicContact CG-CE1 4.37Å; W90-Y94 AromaticContact CH2-CD1 3.83Å; W90-Y94 HydrophobicContact CH2-CD1 3.83Å; W90-Y94 HydrophobicContact CH2-CD2 4.18Å; W90-Y94 HydrophobicContact CH2-CE1 4.24Å; W90-Y94 AromaticContact CH2-CG 3.8Å; W90-Y94 HydrophobicContact CH2-CG 3.8Å; W90-Y94 HydrophobicContact CZ2-CD1 4.2Å; W90-Y94 AromaticContact CZ2-CD2 3.73Å; W90-Y94 HydrophobicContact CZ2-CD2 3.73Å; W90-Y94 HydrophobicContact CZ2-CE2 4.3Å; W90-Y94 AromaticContact CZ2-CG 3.71Å; W90-Y94 HydrophobicContact CZ2-CG 3.71Å; W90-Y94 HydrophobicContact CZ3-CD1 4.47Å; W90-Y94 WeakPolarHBondContact O-CB 3.36Å; W90-Y94 PolarHBondContact O-N 3.15Å; I91-Y94 HydrophobicContact CD1-CD1 4.13Å; I91-Y94 PolarHBondContact O-N 3.43Å; Y94-R96 PolarHBondContact O-N 3.17Å; Y94-R97 PolarHBondContact O-N 3.09Å; Y94-L98 HydrophobicContact CD1-CD1 3.96Å; Y94-L98 HydrophobicContact CE1-CD1 3.54Å; Y94-L98 HydrophobicContact CE1-CG 4.36Å; Y94-L98 HydrophobicContact CE2-CD1 4.32Å; Y94-L98 HydrophobicContact CE2-CD2 4.38Å; Y94-L98 HydrophobicContact CE2-CG 4.31Å; Y94-L98 WeakPolarHBondContact O-CG 3.16Å; Y94-L98 PolarHBondContact O-N 2.56Å; Y94-L110 HydrophobicContact CE2-CD2 4.35Å; Y94-I220 HydrophobicContact CD2-CG2 3.39Å; Y94-I220 HydrophobicContact CE2-CB 4.31Å; Y94-I220 HydrophobicContact CE2-CG2 3.45Å; Y94-I220 VanDerWaalsContact CE2-CG2 3.45Å
95R93Very high92Very high28 Ų2856.7 Ų56.711%0.10625%0.254CS..Hα-helixtrans-57.5-46.6175.5-72.1-178.3-161.9132.6-4.3112.1L80 L84 G86 I91 N92 R97 L98 Q99L80-R95 HydrophobicContact CB-CB 4.49Å; L80-R95 HydrophobicContact CB-CG 4.05Å; L80-R95 HydrophobicContact CD1-CB 3.98Å; L80-R95 HydrophobicContact CD1-CG 4.36Å; L80-R95 WeakPolarHBondContact CD1-O 3.31Å; L84-R95 HydrophobicContact CB-CG 4.49Å; L84-R95 PolarHBondContact O-NE 3.02Å; L84-R95 PolarHBondContact O-NH2 3.43Å; G86-R95 VanDerWaalsContact N-NH2 3.17Å; G86-R95 PolarHBondContact O-NH2 3.33Å; I91-R95 WeakPolarHBondContact O-CB 3.48Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.33Å; I91-R95 PolarHBondContact O-N 2.86Å; N92-R95 PolarHBondContact OD1-NH1 3.08Å; R95-R97 PolarHBondContact O-N 3.02Å; R95-L98 PolarHBondContact O-N 3.05Å; R95-Q99 WeakPolarHBondContact O-CB 3.39Å; R95-Q99 PolarHBondContact O-N 2.94Å
96R91.7Very high92.1Very high145 Ų14558.3 Ų58.355%0.54726%0.263SS..Hα-helixtrans-59.9-46177.6-77.4-174.7-70.6177.6-1.4112.1N92 Q93 Y94 Q99 Q100N92-R96 WeakPolarHBondContact O-CG 3.31Å; N92-R96 PolarHBondContact O-N 3.1Å; N92-R96 PolarHBondContact O-NE 2.76Å; Q93-R96 PolarHBondContact O-N 2.85Å; Y94-R96 PolarHBondContact O-N 3.17Å; R96-Q99 PolarHBondContact O-N 3.46Å; R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.26Å
97R93.3Very high92.4Very high126 Ų12658 Ų5848%0.47526%0.259SS..Hα-helixtrans-62.2-45.8177.2-76.7-173.3170.7-163.3-1111.9Q93 Y94 R95 Q99 Q100 L101 I220Q93-R97 PolarHBondContact O-N 3.19Å; Y94-R97 PolarHBondContact O-N 3.09Å; R95-R97 PolarHBondContact O-N 3.02Å; R97-Q99 VanDerWaalsContact C-N 3.32Å; R97-Q99 PolarHBondContact O-N 3.18Å; R97-Q100 PolarHBondContact O-N 3.25Å; R97-L101 WeakPolarHBondContact O-CB 3.46Å; R97-L101 VanDerWaalsContact O-CG 3.26Å; R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 2.97Å; R97-I220 HydrophobicContact CB-CD1 4.08Å
98L93.5Very high92.6Very high0 Ų049.3 Ų49.30%023%0.226CC..Hα-helixtrans-61-41.2177.2-70.9-179.8000112L80 L84 Y94 R95 L101 S102 L110 Y124 L125 I220L80-L98 HydrophobicContact CD2-CD1 4.14Å; L84-L98 HydrophobicContact CD1-CD1 3.4Å; Y94-L98 HydrophobicContact CD1-CD1 3.96Å; Y94-L98 HydrophobicContact CE1-CD1 3.54Å; Y94-L98 HydrophobicContact CE1-CG 4.36Å; Y94-L98 HydrophobicContact CE2-CD1 4.32Å; Y94-L98 HydrophobicContact CE2-CD2 4.38Å; Y94-L98 HydrophobicContact CE2-CG 4.31Å; Y94-L98 WeakPolarHBondContact O-CG 3.16Å; Y94-L98 PolarHBondContact O-N 2.56Å; R95-L98 PolarHBondContact O-N 3.05Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-S102 WeakPolarHBondContact O-CB 3.32Å; L98-S102 PolarHBondContact O-N 2.88Å; L98-L110 HydrophobicContact CD2-CD2 4.4Å; L98-Y124 HydrophobicContact CB-CD1 3.79Å; L98-Y124 HydrophobicContact CB-CE1 3.88Å; L98-Y124 HydrophobicContact CD1-CD1 4.36Å; L98-L125 HydrophobicContact CD2-CD1 3.89Å; L98-L125 HydrophobicContact CD2-CD2 4.02Å; L98-L125 HydrophobicContact CD2-CG 3.86Å; L98-L125 WeakPolarHBondContact O-CD2 3.5Å; L98-I220 HydrophobicContact CD2-CD1 4.18Å
99Q90.8Very high92.8Very high40 Ų4049.1 Ų49.119%0.18722%0.224CC..Hα-helixtrans-60.8-49.2176.1-175.4178.9-1.300111.4L80 R95 R96 R97 L101 S102L80-Q99 HydrophobicContact CD1-CB 4.34Å; R95-Q99 WeakPolarHBondContact O-CB 3.39Å; R95-Q99 PolarHBondContact O-N 2.94Å; R96-Q99 PolarHBondContact O-N 3.46Å; R97-Q99 VanDerWaalsContact C-N 3.32Å; R97-Q99 PolarHBondContact O-N 3.18Å; Q99-L101 PolarHBondContact O-N 3.29Å; Q99-S102 WeakPolarHBondContact O-CB 3.35Å; Q99-S102 PolarHBondContact O-N 3.42Å; Q99-S102 PolarHBondContact O-OG 3.15Å
100Q90.2Very high92.9Very high131 Ų13142.5 Ų42.561%0.61219%0.193SC*.Hα-helixtrans-59.6-45.7176.8-70.6170.7-28.100111.7R96 R97 S102 E103R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.26Å; R97-Q100 PolarHBondContact O-N 3.25Å; Q100-S102 VanDerWaalsContact C-N 3.28Å; Q100-S102 PolarHBondContact O-N 3.43Å; Q100-E103 PolarHBondContact O-N 3.4Å
101L93.3Very high93Very high22 Ų2243.6 Ų43.612%0.11520%0.198CC..Hα-helixtrans-68.1-25.8179.2-68175.1000112.8R97 L98 Q99 E103 T104 I106 V108 L125 R189 T218 I220R97-L101 WeakPolarHBondContact O-CB 3.46Å; R97-L101 VanDerWaalsContact O-CG 3.26Å; R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.34Å; Q99-L101 PolarHBondContact O-N 3.29Å; L101-E103 PolarHBondContact O-N 3.09Å; L101-T104 PolarHBondContact O-N 3Å; L101-T104 PolarHBondContact O-OG1 3.1Å; L101-I106 HydrophobicContact CD2-CD1 3.75Å; L101-I106 HydrophobicContact CD2-CG1 4.19Å; L101-V108 HydrophobicContact CB-CG2 4.4Å; L101-V108 HydrophobicContact CD1-CG1 3.94Å; L101-V108 HydrophobicContact CD1-CG2 3.91Å; L101-V108 HydrophobicContact CD2-CG2 4.4Å; L101-V108 HydrophobicContact CG-CG2 4.49Å; L101-L125 HydrophobicContact CB-CD2 3.69Å; L101-R189 PolarHBondContact O-NH1 3.44Å; L101-R189 PolarHBondContact O-NH2 3.49Å; L101-T218 HydrophobicContact CD2-CG2 3.84Å; L101-I220 HydrophobicContact CD1-CD1 3.42Å; L101-I220 VanDerWaalsContact CD1-CD1 3.42Å; L101-I220 HydrophobicContact CD1-CG1 4.35Å
102S91.7Very high93Very high7 Ų744 Ų445%0.04920%0.203CC..Hα-helixtrans-66-26.317676.50000112.8L98 Q99 Q100 T104 G129L98-S102 WeakPolarHBondContact O-CB 3.32Å; L98-S102 PolarHBondContact O-N 2.88Å; Q99-S102 WeakPolarHBondContact O-CB 3.35Å; Q99-S102 PolarHBondContact O-N 3.42Å; Q99-S102 PolarHBondContact O-OG 3.15Å; Q100-S102 VanDerWaalsContact C-N 3.28Å; Q100-S102 PolarHBondContact O-N 3.43Å; S102-T104 PolarHBondContact O-N 3Å; S102-G129 WeakPolarHBondContact O-CA 3.38Å
103E88.2Confident93Very high73 Ų7342.2 Ų42.234%0.34120%0.197SC..THydrogen-bonded Turntrans-74.8-9.2178.1-59-169.3167.800113.1R73 Q100 L101 R130R73-E103 IonicContact CZ-OE1 2.95Å; R73-E103 IonicContact NE-OE1 2.74Å; R73-E103 PolarHBondContact NE-OE1 3.41Å; R73-E103 IonicContact NH2-OE1 3.83Å; R73-E103 PolarHBondContact NH2-OE1 3.08Å; R73-E103 IonicContact NH2-OE2 3.32Å; Q100-E103 PolarHBondContact O-N 3.4Å; L101-E103 PolarHBondContact O-N 3.09Å; E103-R130 PolarHBondContact O-NE 2.79Å; E103-R130 PolarHBondContact O-NH2 3.39Å
104T89.5Confident92.8Very high44 Ų4441.7 Ų41.727%0.2720%0.2SC..SBendtrans-122.2163.5-177.368.90000111.3L101 S102 I106 R189L101-T104 PolarHBondContact O-N 3Å; L101-T104 PolarHBondContact O-OG1 3.1Å; S102-T104 PolarHBondContact O-N 3Å; T104-I106 WeakPolarHBondContact OG1-CG1 3.18Å; T104-R189 PolarHBondContact O-NH1 2.96Å; T104-R189 PolarHBondContact O-NH2 2.74Å
105D89.3Confident92.5Very high30 Ų3042.9 Ų42.916%0.1621%0.213CC..  trans-106.69.2175.866.6-39.3000112.6R186D105-R186 IonicContact OD1-NH1 2.79Å; D105-R186 PolarHBondContact OD1-NH1 3.35Å; D105-R186 IonicContact OD2-CZ 2.67Å; D105-R186 IonicContact OD2-NH1 3.83Å; D105-R186 PolarHBondContact OD2-NH1 2.72Å
106I92.1Very high92.5Very high56 Ų5641.7 Ų41.729%0.28721%0.209SC..  trans-62.7149.2178.768.3-170.7000110.9L101 T104 T218L101-I106 HydrophobicContact CD2-CD1 3.75Å; L101-I106 HydrophobicContact CD2-CG1 4.19Å; T104-I106 WeakPolarHBondContact OG1-CG1 3.18Å; I106-T218 HydrophobicContact CD1-CG2 3.33Å; I106-T218 HydrophobicContact CG1-CG2 3.76Å
107A95.4Very high92.3Very high3 Ų335.5 Ų35.53%0.02519%0.191CC..  trans-64.4145.2179.800000110.9L190 C214 F215 T218A107-L190 CarbonylContact C-O 3.4Å; A107-L190 WeakPolarHBondContact CA-O 3.44Å; A107-L190 HydrophobicContact CB-CB 4.05Å; A107-L190 HydrophobicContact CB-CG 4.5Å; A107-C214 HydrophobicContact CB-CB 4.46Å; A107-F215 HydrophobicContact CB-CD1 3.74Å; A107-F215 HydrophobicContact CB-CE1 3.52Å; A107-F215 HydrophobicContact CB-CZ 4.09Å; A107-T218 WeakPolarHBondContact O-CB 3.39Å; A107-T218 PolarHBondContact O-OG1 2.98Å
108V97Very high92.4Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-132135.6-176.8-178.90000111L101 L110 L125 L190 I191 G192 F215 T218 I220L101-V108 HydrophobicContact CB-CG2 4.4Å; L101-V108 HydrophobicContact CD1-CG1 3.94Å; L101-V108 HydrophobicContact CD1-CG2 3.91Å; L101-V108 HydrophobicContact CD2-CG2 4.4Å; L101-V108 HydrophobicContact CG-CG2 4.49Å; V108-L110 HydrophobicContact CG1-CD2 3.88Å; V108-L110 HydrophobicContact CG1-CG 4.17Å; V108-L125 HydrophobicContact CB-CD1 4.05Å; V108-L125 HydrophobicContact CG1-CD1 3.83Å; V108-L125 HydrophobicContact CG2-CD1 4.04Å; V108-L190 PolarHBondContact N-O 2.96Å; V108-L190 VanDerWaalsContact N-O 3.08Å; V108-I191 CarbonylContact O-C 3.52Å; V108-I191 VanDerWaalsContact O-CA 3.3Å; V108-I191 WeakPolarHBondContact O-CA 3.12Å; V108-G192 PolarHBondContact O-N 3.32Å; V108-F215 WeakPolarHBondContact O-CE1 3.46Å; V108-T218 WeakPolarHBondContact CG1-O 3.24Å; V108-I220 HydrophobicContact CG1-CD1 4.32Å
109W97Very high92.3Very high3 Ų333.6 Ų33.61%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-109.7116.5175.3-174.6-108.1000110.5Y111 P166 G192 T196 L198 L201 F215 T218 Q219 I220W109-Y111 AromaticContact CD1-CD1 3.53Å; W109-Y111 AromaticContact NE1-CD1 3.91Å; W109-Y111 AromaticContact NE1-CG 3.9Å; W109-P166 HydrophobicContact CH2-CG 3.58Å; W109-P166 HydrophobicContact CZ3-CG 3.75Å; W109-G192 VanDerWaalsContact CE3-C 3.45Å; W109-G192 VanDerWaalsContact CZ3-CA 3.4Å; W109-T196 PolarHBondContact NE1-O 2.84Å; W109-T196 VanDerWaalsContact NE1-O 3.15Å; W109-L198 HydrophobicContact CB-CD1 3.83Å; W109-L198 HydrophobicContact CD2-CD1 3.63Å; W109-L198 HydrophobicContact CD2-CD2 3.96Å; W109-L198 HydrophobicContact CD2-CG 3.52Å; W109-L198 HydrophobicContact CE3-CD1 3.89Å; W109-L198 HydrophobicContact CE3-CD2 3.96Å; W109-L198 HydrophobicContact CE3-CG 3.98Å; W109-L198 HydrophobicContact CG-CD1 3.57Å; W109-L198 HydrophobicContact CG-CG 3.73Å; W109-L198 HydrophobicContact CH2-CD2 4.05Å; W109-L198 HydrophobicContact CZ2-CD2 3.95Å; W109-L198 HydrophobicContact CZ2-CG 4.14Å; W109-L198 HydrophobicContact CZ3-CD2 4.04Å; W109-L201 HydrophobicContact CH2-CD1 4.35Å; W109-L201 HydrophobicContact CZ2-CD1 4.02Å; W109-F215 HydrophobicContact CB-CB 4.08Å; W109-F215 HydrophobicContact CB-CD1 3.91Å; W109-F215 HydrophobicContact CB-CG 4.12Å; W109-T218 PolarHBondContact N-O 3.2Å; W109-Q219 HydrophobicContact CB-CB 4.32Å; W109-Q219 HydrophobicContact CB-CG 4.08Å; W109-Q219 CarbonylContact O-C 3.55Å; W109-Q219 WeakPolarHBondContact O-CA 3.26Å; W109-I220 PolarHBondContact O-N 3.17Å
110L96.9Very high92.4Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-108.4112.5178.8-59.9178.2000109.3Y94 L98 V108 R118 A122 I191 G192 I193 G194 I220Y94-L110 HydrophobicContact CE2-CD2 4.35Å; L98-L110 HydrophobicContact CD2-CD2 4.4Å; V108-L110 HydrophobicContact CG1-CD2 3.88Å; V108-L110 HydrophobicContact CG1-CG 4.17Å; L110-R118 HydrophobicContact CB-CB 4.27Å; L110-R118 WeakPolarHBondContact CD1-O 3.25Å; L110-A122 HydrophobicContact CD1-CB 4.06Å; L110-I191 HydrophobicContact CD1-CG2 4.27Å; L110-I191 HydrophobicContact CG-CG2 4.46Å; L110-G192 PolarHBondContact N-O 3.19Å; L110-I193 HydrophobicContact CB-CG1 4.5Å; L110-I193 WeakPolarHBondContact O-CA 3.49Å; L110-G194 PolarHBondContact O-N 2.79Å; L110-I220 HydrophobicContact CD2-CB 3.88Å; L110-I220 HydrophobicContact CD2-CD1 3.97Å; L110-I220 HydrophobicContact CD2-CG1 4.32Å
111Y96Very high92.5Very high59 Ų5927.8 Ų27.823%0.23116%0.162CC..EExtended strand (participates in β ladder)trans-130.3154.7-172.971.1-80.1000115.4W109 G194 T196 Q219 I220 A221 C222W109-Y111 AromaticContact CD1-CD1 3.53Å; W109-Y111 AromaticContact NE1-CD1 3.91Å; W109-Y111 AromaticContact NE1-CG 3.9Å; Y111-G194 CarbonylContact C-O 3.55Å; Y111-G194 WeakPolarHBondContact CA-O 3.49Å; Y111-G194 WeakPolarHBondContact CB-O 3.34Å; Y111-T196 WeakPolarHBondContact CB-O 3.35Å; Y111-Q219 HydrophobicContact CE1-CB 4.07Å; Y111-I220 WeakPolarHBondContact CD1-O 3.28Å; Y111-I220 PolarHBondContact N-O 3.02Å; Y111-A221 HydrophobicContact CE1-CB 4.04Å; Y111-A221 HydrophobicContact CE2-CB 3.97Å; Y111-A221 CarbonylContact O-C 3.48Å; Y111-C222 WeakPolarHBondContact O-CA 3.21Å; Y111-C222 WeakPolarHBondContact O-CB 3.41Å; Y111-C222 PolarHBondContact O-N 3.45Å
112G94Very high92.6Very high10 Ų1026.7 Ų26.710%0.10316%0.157CC..SBendtrans141.7178.4-179.700000111.9R118 G194 D195G112-R118 WeakPolarHBondContact O-CD 3.34Å; G112-R118 PolarHBondContact O-NE 2.99Å; G112-R118 PolarHBondContact O-NH1 3.03Å; G112-G194 PolarHBondContact N-O 2.89Å; G112-D195 WeakPolarHBondContact CA-O 3.21Å; G112-D195 PolarHBondContact N-O 3.32Å
113A92.4Very high92.6Very high31 Ų3133.1 Ų33.126%0.25618%0.18SC..SBendtrans-58.4156.6-173.500000113.7G115 T116 P224 N270A113-G115 PolarHBondContact O-N 2.81Å; A113-T116 HydrophobicContact CB-CG2 4.08Å; A113-T116 WeakPolarHBondContact O-CB 3.23Å; A113-T116 WeakPolarHBondContact O-CG2 3.42Å; A113-T116 PolarHBondContact O-N 3.48Å; A113-T116 PolarHBondContact O-OG1 3.24Å; A113-P224 HydrophobicContact CB-CG 4.47Å; A113-N270 WeakPolarHBondContact CB-ND2 3.48Å
114P89.7Confident92.9Very high64 Ų6429.6 Ų29.642%0.41616%0.164SC..THydrogen-bonded Turntrans-53.7139.6174.9-27.435.4000113T116 N270P114-T116 VanDerWaalsContact C-N 3.33Å; P114-T116 PolarHBondContact O-N 2.8Å; P114-N270 PolarHBondContact O-ND2 3.23Å
115G87.3Confident93.1Very high28 Ų2827.5 Ų27.529%0.28915%0.151SC..THydrogen-bonded Turntrans76.111.4178.200000115.5A113 G117 N270 V271A113-G115 PolarHBondContact O-N 2.81Å; G115-G117 VanDerWaalsContact C-N 3.34Å; G115-N270 WeakPolarHBondContact O-CB 3.42Å; G115-V271 WeakPolarHBondContact O-CB 3.29Å; G115-V271 WeakPolarHBondContact O-CG2 3.4Å; G115-V271 PolarHBondContact O-N 3.32Å
116T92.2Very high93.3Very high3 Ų327.2 Ų27.22%0.01815%0.148CC..SBendtrans-79-11.4177.849.60000114.8A113 P114 C222 R228 N270A113-T116 HydrophobicContact CB-CG2 4.08Å; A113-T116 WeakPolarHBondContact O-CB 3.23Å; A113-T116 WeakPolarHBondContact O-CG2 3.42Å; A113-T116 PolarHBondContact O-N 3.48Å; A113-T116 PolarHBondContact O-OG1 3.24Å; P114-T116 VanDerWaalsContact C-N 3.33Å; P114-T116 PolarHBondContact O-N 2.8Å; T116-C222 WeakPolarHBondContact OG1-CB 3.46Å; T116-R228 PolarHBondContact O-NH2 2.82Å; T116-N270 HydrophobicContact CG2-CB 4.11Å
117G89.1Confident93.2Very high15 Ų1528.5 Ų28.516%0.15515%0.153CC..SBendtrans106.313.6-179.800000115.4G115 M119 T120 G121G115-G117 VanDerWaalsContact C-N 3.34Å; G117-M119 PolarHBondContact O-N 3.21Å; G117-T120 WeakPolarHBondContact O-CB 3.3Å; G117-T120 PolarHBondContact O-N 2.91Å; G117-G121 PolarHBondContact O-N 3.03Å
118R93.8Very high92.8Very high34 Ų3429 Ų2913%0.12816%0.155CC..Hα-helixtrans-51-51176.2-60.4174.6-62.6-178.8-4.9112.4L110 G112 T120 G121 A122 I193 G194 D195 C222L110-R118 HydrophobicContact CB-CB 4.27Å; L110-R118 WeakPolarHBondContact CD1-O 3.25Å; G112-R118 WeakPolarHBondContact O-CD 3.34Å; G112-R118 PolarHBondContact O-NE 2.99Å; G112-R118 PolarHBondContact O-NH1 3.03Å; R118-T120 VanDerWaalsContact C-N 3.35Å; R118-T120 PolarHBondContact O-N 2.91Å; R118-G121 PolarHBondContact O-N 2.8Å; R118-A122 PolarHBondContact O-N 2.86Å; R118-I193 HydrophobicContact CB-CD1 4.44Å; R118-I193 HydrophobicContact CB-CG1 4.5Å; R118-I193 HydrophobicContact CB-CG2 3.87Å; R118-I193 HydrophobicContact CG-CG2 4.41Å; R118-G194 PolarHBondContact NH1-O 3.36Å; R118-D195 IonicContact CZ-OD1 2.83Å; R118-D195 IonicContact NH1-OD1 2.83Å; R118-D195 PolarHBondContact NH1-OD1 3.39Å; R118-D195 IonicContact NH2-OD1 3.28Å; R118-D195 PolarHBondContact NH2-OD1 3.24Å; R118-C222 HydrophobicContact CG-CB 3.94Å
119M92.5Very high92.4Very high53 Ų5329.1 Ų29.126%0.26116%0.156SC..Hα-helixtrans-64.6-36.9179.9-174.653.964.300112.8G117 G121 A122 R123 F136 Y138 I193G117-M119 PolarHBondContact O-N 3.21Å; M119-G121 VanDerWaalsContact C-N 3.32Å; M119-A122 PolarHBondContact O-N 2.96Å; M119-A122 HydrophobicContact SD-CB 4.46Å; M119-R123 WeakPolarHBondContact O-CG 3.37Å; M119-R123 PolarHBondContact O-N 2.91Å; M119-R123 HydrophobicContact SD-CG 4.4Å; M119-F136 HydrophobicContact SD-CE1 4.16Å; M119-F136 HydrophobicContact SD-CZ 3.9Å; M119-Y138 HydrophobicContact CE-CD1 4Å; M119-Y138 HydrophobicContact CE-CD2 3.36Å; M119-Y138 HydrophobicContact CE-CE1 4.05Å; M119-Y138 HydrophobicContact CE-CE2 3.38Å; M119-Y138 HydrophobicContact CE-CG 3.66Å; M119-I193 HydrophobicContact CE-CD1 3.59Å; M119-I193 HydrophobicContact SD-CD1 4.34Å
120T92Very high91.8Very high48 Ų4837.6 Ų37.629%0.29419%0.188SC..Hα-helixtrans-62.2-42.9174.7-49.70000110.6E83 L84 G117 R118 R123 Y124E83-T120 HydrophobicContact CB-CG2 4.17Å; L84-T120 HydrophobicContact CD2-CG2 3.73Å; L84-T120 HydrophobicContact CG-CG2 3.84Å; G117-T120 WeakPolarHBondContact O-CB 3.3Å; G117-T120 PolarHBondContact O-N 2.91Å; R118-T120 VanDerWaalsContact C-N 3.35Å; R118-T120 PolarHBondContact O-N 2.91Å; T120-R123 PolarHBondContact O-N 3.12Å; T120-Y124 WeakPolarHBondContact O-CB 3.36Å; T120-Y124 PolarHBondContact O-N 3.06Å
121G93.9Very high91.4Very high0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-60.8-44.5173.100000112.9G117 R118 M119 Y124 L125G117-G121 PolarHBondContact O-N 3.03Å; R118-G121 PolarHBondContact O-N 2.8Å; M119-G121 VanDerWaalsContact C-N 3.32Å; G121-Y124 WeakPolarHBondContact O-CB 3.09Å; G121-Y124 PolarHBondContact O-N 2.88Å; G121-L125 WeakPolarHBondContact O-CG 3.34Å; G121-L125 PolarHBondContact O-N 2.84Å
122A94.8Very high91Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-62.3-44.1178.100000112.5L110 R118 M119 L125 H126 F136 V162 I191 I193L110-A122 HydrophobicContact CD1-CB 4.06Å; R118-A122 PolarHBondContact O-N 2.86Å; M119-A122 PolarHBondContact O-N 2.96Å; M119-A122 HydrophobicContact SD-CB 4.46Å; A122-L125 PolarHBondContact O-N 2.93Å; A122-H126 PolarHBondContact O-N 3.34Å; A122-H126 VanDerWaalsContact O-N 3.12Å; A122-F136 HydrophobicContact CB-CZ 4.44Å; A122-V162 HydrophobicContact CB-CG1 4.22Å; A122-V162 HydrophobicContact CB-CG2 4.3Å; A122-I191 HydrophobicContact CB-CD1 4.25Å; A122-I191 HydrophobicContact CB-CG2 4Å; A122-I193 HydrophobicContact CB-CD1 4.08Å
123R92.3Very high90.8Very high141 Ų14145.9 Ų45.953%0.53223%0.233SC..Hα-helixtrans-61.9-43.2175.9-75.9-178.6175.6-89.3-1.5111.8M119 T120 L125 H126 Q127 F136M119-R123 WeakPolarHBondContact O-CG 3.37Å; M119-R123 PolarHBondContact O-N 2.91Å; M119-R123 HydrophobicContact SD-CG 4.4Å; T120-R123 PolarHBondContact O-N 3.12Å; R123-L125 PolarHBondContact O-N 3.29Å; R123-H126 PolarHBondContact O-N 3.22Å; R123-Q127 WeakPolarHBondContact O-CB 3.3Å; R123-Q127 PolarHBondContact O-N 3.45Å; R123-F136 HydrophobicContact CG-CE1 4.03Å; R123-F136 HydrophobicContact CG-CE2 4.2Å; R123-F136 HydrophobicContact CG-CZ 3.71Å
124Y92.9Very high90.7Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-58.2-48.6175.5177.2-92.3000112.1C76 L80 L98 T120 G121 H126 Q127 F128C76-Y124 WeakPolarHBondContact CB-OH 3.42Å; C76-Y124 PolarHBondContact O-OH 2.94Å; L80-Y124 HydrophobicContact CB-CE2 4.44Å; L80-Y124 HydrophobicContact CD1-CE1 3.93Å; L80-Y124 HydrophobicContact CD1-CE2 3.86Å; L80-Y124 VanDerWaalsContact CD1-CZ 3.43Å; L80-Y124 WeakPolarHBondContact CD1-OH 3.37Å; L80-Y124 HydrophobicContact CD2-CD1 3.83Å; L80-Y124 HydrophobicContact CD2-CD2 3.32Å; L80-Y124 HydrophobicContact CD2-CE1 3.84Å; L80-Y124 HydrophobicContact CD2-CE2 3.39Å; L80-Y124 HydrophobicContact CD2-CG 3.55Å; L80-Y124 HydrophobicContact CG-CD2 3.72Å; L80-Y124 HydrophobicContact CG-CE1 4.06Å; L80-Y124 HydrophobicContact CG-CE2 3.21Å; L80-Y124 HydrophobicContact CG-CG 4.33Å; L98-Y124 HydrophobicContact CB-CD1 3.79Å; L98-Y124 HydrophobicContact CB-CE1 3.88Å; L98-Y124 HydrophobicContact CD1-CD1 4.36Å; T120-Y124 WeakPolarHBondContact O-CB 3.36Å; T120-Y124 PolarHBondContact O-N 3.06Å; G121-Y124 WeakPolarHBondContact O-CB 3.09Å; G121-Y124 PolarHBondContact O-N 2.88Å; Y124-H126 PolarHBondContact O-N 3.2Å; Y124-Q127 PolarHBondContact O-N 2.9Å; Y124-F128 AromaticContact CD2-CD2 3.3Å; Y124-F128 HydrophobicContact CD2-CD2 3.3Å; Y124-F128 AromaticContact CD2-CE2 3.53Å; Y124-F128 HydrophobicContact CD2-CE2 3.53Å; Y124-F128 HydrophobicContact CD2-CG 4.46Å; Y124-F128 HydrophobicContact CE1-CD2 4.45Å; Y124-F128 AromaticContact CE2-CD2 3.1Å; Y124-F128 HydrophobicContact CE2-CD2 3.1Å; Y124-F128 AromaticContact CE2-CE2 3.41Å; Y124-F128 HydrophobicContact CE2-CE2 3.41Å; Y124-F128 VanDerWaalsContact CE2-CE2 3.41Å; Y124-F128 AromaticContact CE2-CG 3.96Å; Y124-F128 HydrophobicContact CE2-CG 3.96Å; Y124-F128 HydrophobicContact CE2-CZ 4.44Å; Y124-F128 HydrophobicContact CG-CD2 4.05Å; Y124-F128 AromaticContact CZ-CD2 3.78Å; Y124-F128 WeakPolarHBondContact O-CD2 3.33Å; Y124-F128 PolarHBondContact O-N 2.72Å
125L94.1Very high91Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-61.6-30.6179.6-71.9172.9000113.2L98 L101 V108 G121 A122 R123 G129 R189 I191L98-L125 HydrophobicContact CD2-CD1 3.89Å; L98-L125 HydrophobicContact CD2-CD2 4.02Å; L98-L125 HydrophobicContact CD2-CG 3.86Å; L98-L125 WeakPolarHBondContact O-CD2 3.5Å; L101-L125 HydrophobicContact CB-CD2 3.69Å; V108-L125 HydrophobicContact CB-CD1 4.05Å; V108-L125 HydrophobicContact CG1-CD1 3.83Å; V108-L125 HydrophobicContact CG2-CD1 4.04Å; G121-L125 WeakPolarHBondContact O-CG 3.34Å; G121-L125 PolarHBondContact O-N 2.84Å; A122-L125 PolarHBondContact O-N 2.93Å; R123-L125 PolarHBondContact O-N 3.29Å; L125-G129 VanDerWaalsContact O-CA 3.3Å; L125-G129 WeakPolarHBondContact O-CA 3.33Å; L125-G129 PolarHBondContact O-N 2.96Å; L125-R189 PolarHBondContact O-NH1 3.35Å; L125-I191 HydrophobicContact CB-CD1 3.81Å; L125-I191 HydrophobicContact CD1-CD1 4.02Å
126H93.9Very high91.4Very high24 Ų2449.5 Ų49.511%0.11124%0.236CC..Hα-helixtrans-73.6-56.4171.9172.472.4000111.4A122 R123 Y124 F128 G129 N131 A132 G134 F136 T160A122-H126 PolarHBondContact O-N 3.34Å; A122-H126 VanDerWaalsContact O-N 3.12Å; R123-H126 PolarHBondContact O-N 3.22Å; Y124-H126 PolarHBondContact O-N 3.2Å; H126-F128 PolarHBondContact O-N 3.05Å; H126-F128 VanDerWaalsContact O-N 3.16Å; H126-G129 PolarHBondContact O-N 2.84Å; H126-G129 VanDerWaalsContact O-N 3.1Å; H126-N131 PolarHBondContact CE1-O 3.36Å; H126-N131 VanDerWaalsContact CE1-O 3.29Å; H126-A132 VanDerWaalsContact O-CA 3.27Å; H126-A132 WeakPolarHBondContact O-CA 3.29Å; H126-A132 VanDerWaalsContact O-CB 3.3Å; H126-A132 WeakPolarHBondContact O-CB 3.22Å; H126-G134 PolarHBondContact CE1-O 3.45Å; H126-F136 HydrophobicContact CB-CD2 3.54Å; H126-F136 HydrophobicContact CB-CE2 3.96Å; H126-F136 AromaticContact CD2-CD2 3.81Å; H126-F136 AromaticContact CG-CD2 3.54Å; H126-T160 HydrophobicContact CB-CG2 4.36Å; H126-T160 WeakPolarHBondContact ND1-CB 3.43Å; H126-T160 PolarHBondContact ND1-OG1 3.15Å
127Q89.7Confident91.6Very high83 Ų8349.7 Ų49.739%0.38824%0.237SC..Hα-helixtrans-56.7-35.3-174.7-177.8179.76.900113.4R123 Y124 A132R123-Q127 WeakPolarHBondContact O-CB 3.3Å; R123-Q127 PolarHBondContact O-N 3.45Å; Y124-Q127 PolarHBondContact O-N 2.9Å; Q127-A132 WeakPolarHBondContact O-CB 3.31Å
128F87.8Confident91.9Very high13 Ų1352.6 Ų52.66%0.05724%0.244CC..THydrogen-bonded Turntrans-106.6-1.8-178.4-63.4-71000113.8R72 Y75 C76 T79 Y124 H126R72-F128 PolarHBondContact NH2-O 3.23Å; Y75-F128 AromaticContact CD1-CE1 3.73Å; Y75-F128 HydrophobicContact CD1-CE1 3.73Å; Y75-F128 HydrophobicContact CD1-CZ 4.28Å; Y75-F128 AromaticContact CE1-CE1 3.69Å; Y75-F128 HydrophobicContact CE1-CE1 3.69Å; Y75-F128 AromaticContact CE1-CZ 3.99Å; Y75-F128 HydrophobicContact CE1-CZ 3.99Å; C76-F128 HydrophobicContact CB-CD1 4.08Å; C76-F128 HydrophobicContact CB-CE1 4.33Å; C76-F128 HydrophobicContact CB-CG 4.3Å; C76-F128 WeakPolarHBondContact SG-CD1 3.42Å; T79-F128 HydrophobicContact CG2-CE2 3.76Å; T79-F128 HydrophobicContact CG2-CZ 3.76Å; Y124-F128 AromaticContact CD2-CD2 3.3Å; Y124-F128 HydrophobicContact CD2-CD2 3.3Å; Y124-F128 AromaticContact CD2-CE2 3.53Å; Y124-F128 HydrophobicContact CD2-CE2 3.53Å; Y124-F128 HydrophobicContact CD2-CG 4.46Å; Y124-F128 HydrophobicContact CE1-CD2 4.45Å; Y124-F128 AromaticContact CE2-CD2 3.1Å; Y124-F128 HydrophobicContact CE2-CD2 3.1Å; Y124-F128 AromaticContact CE2-CE2 3.41Å; Y124-F128 HydrophobicContact CE2-CE2 3.41Å; Y124-F128 VanDerWaalsContact CE2-CE2 3.41Å; Y124-F128 AromaticContact CE2-CG 3.96Å; Y124-F128 HydrophobicContact CE2-CG 3.96Å; Y124-F128 HydrophobicContact CE2-CZ 4.44Å; Y124-F128 HydrophobicContact CG-CD2 4.05Å; Y124-F128 AromaticContact CZ-CD2 3.78Å; Y124-F128 WeakPolarHBondContact O-CD2 3.33Å; Y124-F128 PolarHBondContact O-N 2.72Å; H126-F128 PolarHBondContact O-N 3.05Å; H126-F128 VanDerWaalsContact O-N 3.16Å
129G87.4Confident92Very high3 Ų355.1 Ų55.13%0.03125%0.253CS..SBendtrans-70.5176.6176.500000114.1S102 L125 H126 N131S102-G129 WeakPolarHBondContact O-CA 3.38Å; L125-G129 VanDerWaalsContact O-CA 3.3Å; L125-G129 WeakPolarHBondContact O-CA 3.33Å; L125-G129 PolarHBondContact O-N 2.96Å; H126-G129 PolarHBondContact O-N 2.84Å; H126-G129 VanDerWaalsContact O-N 3.1Å; G129-N131 PolarHBondContact O-N 3.25Å
130R85.3Confident92Very high180 Ų18057.7 Ų57.768%0.67927%0.265SS*.THydrogen-bonded Turntrans-66.3-27.6169.7-63.1-177.2-176.7-169.1-2.5112.3E103E103-R130 PolarHBondContact O-NE 2.79Å; E103-R130 PolarHBondContact O-NH2 3.39Å
131N87.3Confident92.1Very high23 Ų2355.5 Ų55.512%0.12325%0.251CS..THydrogen-bonded Turntrans-92.915.6-176.8-59.187.1000114.1H126 G129 Q133 G134 G158 G159H126-N131 PolarHBondContact CE1-O 3.36Å; H126-N131 VanDerWaalsContact CE1-O 3.29Å; G129-N131 PolarHBondContact O-N 3.25Å; N131-Q133 PolarHBondContact O-N 3.19Å; N131-Q133 VanDerWaalsContact O-N 3.12Å; N131-G134 PolarHBondContact O-N 2.92Å; N131-G158 WeakPolarHBondContact CB-O 3.27Å; N131-G158 PolarHBondContact ND2-O 2.71Å; N131-G159 VanDerWaalsContact CB-O 3.29Å; N131-G159 WeakPolarHBondContact CB-O 3.46Å; N131-G159 PolarHBondContact ND2-O 2.88Å
132A89Confident92Very high31 Ų3158.2 Ų58.226%0.25627%0.268SS..THydrogen-bonded Turntrans-61.8-20.2-175.200000114.8H126 Q127H126-A132 VanDerWaalsContact O-CA 3.27Å; H126-A132 WeakPolarHBondContact O-CA 3.29Å; H126-A132 VanDerWaalsContact O-CB 3.3Å; H126-A132 WeakPolarHBondContact O-CB 3.22Å; Q127-A132 WeakPolarHBondContact O-CB 3.31Å
133Q88.8Confident91.8Very high190 Ų19062.3 Ų62.389%0.88829%0.294SS*.THydrogen-bonded Turntrans-87.7-15.8177.5-61.5-60.3-39.100113.1N131N131-Q133 PolarHBondContact O-N 3.19Å; N131-Q133 VanDerWaalsContact O-N 3.12Å
134G91.3Very high91.7Very high20 Ų2062 Ų6221%0.20630%0.304CS..SBendtrans-84.8179.717600000112H126 N131H126-G134 PolarHBondContact CE1-O 3.45Å; N131-G134 PolarHBondContact O-N 2.92Å
135E94.8Very high91.7Very high135 Ų13563.7 Ų63.763%0.63131%0.312SS*.  trans-72.4145-179.7-72.1-68.4128.400112.5V137 G159 T160E135-V137 HydrophobicContact CB-CG2 4.02Å; E135-G159 WeakPolarHBondContact O-CA 3.41Å; E135-T160 PolarHBondContact O-N 2.99Å
136F96.2Very high91.5Very high43 Ų4363.8 Ų63.819%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-96.798168.2-177.6-97.1000109.8M119 A122 R123 H126 V162M119-F136 HydrophobicContact SD-CE1 4.16Å; M119-F136 HydrophobicContact SD-CZ 3.9Å; A122-F136 HydrophobicContact CB-CZ 4.44Å; R123-F136 HydrophobicContact CG-CE1 4.03Å; R123-F136 HydrophobicContact CG-CE2 4.2Å; R123-F136 HydrophobicContact CG-CZ 3.71Å; H126-F136 HydrophobicContact CB-CD2 3.54Å; H126-F136 HydrophobicContact CB-CE2 3.96Å; H126-F136 AromaticContact CD2-CD2 3.81Å; H126-F136 AromaticContact CG-CD2 3.54Å; F136-V162 HydrophobicContact CD2-CG2 4.25Å; F136-V162 HydrophobicContact CE1-CG2 4.46Å; F136-V162 HydrophobicContact CE2-CG2 3.46Å; F136-V162 VanDerWaalsContact CE2-CG2 3.46Å; F136-V162 HydrophobicContact CZ-CB 4.46Å; F136-V162 HydrophobicContact CZ-CG2 3.58Å
137V96.4Very high91.2Very high8 Ų868.8 Ų68.85%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-101.4102.8-176.1-175.70000109.6E135 R139 L155 A156 T160 L161 V162E135-V137 HydrophobicContact CB-CG2 4.02Å; V137-R139 HydrophobicContact CG1-CG 4.31Å; V137-L155 HydrophobicContact CG1-CB 4.49Å; V137-L155 HydrophobicContact CG2-CB 3.91Å; V137-A156 HydrophobicContact CB-CB 4.11Å; V137-A156 HydrophobicContact CG2-CB 3.96Å; V137-T160 PolarHBondContact N-O 2.7Å; V137-L161 HydrophobicContact CB-CD1 4.15Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; V137-V162 PolarHBondContact O-N 3.16Å
138Y96.1Very high91.3Very high75 Ų7569.5 Ų69.529%0.29434%0.343SS..EExtended strand (participates in β ladder)trans-96131.9169.8170.7-113.7000111.1M119 E140 V162 S164M119-Y138 HydrophobicContact CE-CD1 4Å; M119-Y138 HydrophobicContact CE-CD2 3.36Å; M119-Y138 HydrophobicContact CE-CE1 4.05Å; M119-Y138 HydrophobicContact CE-CE2 3.38Å; M119-Y138 HydrophobicContact CE-CG 3.66Å; Y138-E140 PolarHBondContact OH-OE2 3.4Å; Y138-V162 WeakPolarHBondContact CA-O 3.44Å; Y138-V162 HydrophobicContact CD2-CB 4Å; Y138-V162 HydrophobicContact CD2-CG1 3.83Å; Y138-V162 HydrophobicContact CE2-CG1 4.46Å; Y138-S164 PolarHBondContact OH-OG 3.24Å; Y138-S164 VanDerWaalsContact OH-OG 3.06Å
139R95.3Very high91.5Very high87 Ų8768.9 Ų68.933%0.32834%0.34SS..EExtended strand (participates in β ladder)trans-135.8129172.3-66-66.8-178.4-93.71.7110.6V137 F152 V162 L163 S164V137-R139 HydrophobicContact CG1-CG 4.31Å; R139-F152 HydrophobicContact CB-CD2 4.23Å; R139-F152 HydrophobicContact CB-CE2 4.31Å; R139-F152 HydrophobicContact CG-CB 4.35Å; R139-F152 HydrophobicContact CG-CD1 3.9Å; R139-F152 HydrophobicContact CG-CD2 3.81Å; R139-F152 HydrophobicContact CG-CE1 4.12Å; R139-F152 HydrophobicContact CG-CE2 4.02Å; R139-F152 HydrophobicContact CG-CG 3.75Å; R139-F152 HydrophobicContact CG-CZ 4.18Å; R139-V162 PolarHBondContact N-O 3.29Å; R139-L163 HydrophobicContact CB-CD2 4.16Å; R139-L163 WeakPolarHBondContact O-CA 3.34Å; R139-S164 PolarHBondContact O-N 3.23Å
140E93.6Very high91.8Very high108 Ų10873.1 Ų73.151%0.50536%0.363SS..EExtended strand (participates in β ladder)trans-89.1111.1166.4-170.1166.7157.300108.1Y138 N145 S164Y138-E140 PolarHBondContact OH-OE2 3.4Å; E140-N145 PolarHBondContact O-ND2 2.87Å; E140-S164 WeakPolarHBondContact CA-OG 3.45Å; E140-S164 WeakPolarHBondContact CB-OG 3.23Å; E140-S164 WeakPolarHBondContact CG-OG 3.41Å
141L93.3Very high92.3Very high2 Ų269.2 Ų69.21%0.0136%0.355CS..  trans-74.6136.5-173.4-64.7167.5000110N145 F152 L163 S164 H168 L169L141-N145 VanDerWaalsContact CA-OD1 3.27Å; L141-N145 WeakPolarHBondContact CA-OD1 3.34Å; L141-F152 HydrophobicContact CD2-CE2 4.28Å; L141-L163 HydrophobicContact CD1-CB 4.13Å; L141-L163 HydrophobicContact CD1-CD1 4.34Å; L141-L163 HydrophobicContact CD1-CD2 4.27Å; L141-L163 HydrophobicContact CD1-CG 4.48Å; L141-L163 HydrophobicContact CD2-CD2 4.28Å; L141-L163 HydrophobicContact CG-CD2 4.33Å; L141-S164 VanDerWaalsContact CB-O 3.24Å; L141-S164 WeakPolarHBondContact CB-O 3.3Å; L141-S164 WeakPolarHBondContact CG-O 3.38Å; L141-S164 PolarHBondContact N-O 3.45Å; L141-H168 HydrophobicContact CB-CB 4.32Å; L141-H168 PolarHBondContact O-CD2 3.48Å; L141-L169 HydrophobicContact CD1-CD1 4.05Å; L141-L169 HydrophobicContact CD1-CD2 3.66Å; L141-L169 HydrophobicContact CD1-CG 3.69Å; L141-L169 HydrophobicContact CD2-CD2 4.06Å; L141-L169 HydrophobicContact CG-CD2 4.47Å
142T92.3Very high92.6Very high56 Ų5668.6 Ų68.634%0.34435%0.351SS..  trans-124.916016967.80000107.5D144 N145 A146T142-D144 PolarHBondContact O-N 3.42Å; T142-D144 VanDerWaalsContact O-N 3.08Å; T142-N145 PolarHBondContact N-OD1 3.33Å; T142-N145 PolarHBondContact O-N 2.93Å; T142-N145 PolarHBondContact O-OD1 3.48Å; T142-N145 PolarHBondContact OG1-N 3.04Å; T142-A146 VanDerWaalsContact O-CB 3.25Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 2.96Å
143P89.3Confident92.9Very high86 Ų8668.1 Ų68.156%0.55834%0.344SS*.THydrogen-bonded Turntrans-51.4-34.5175.9-28.736000113.5
144D90.3Very high93.2Very high136 Ų13662.1 Ų62.173%0.72733%0.327SS*.THydrogen-bonded Turntrans-76.2-45.6-178.7-58.3-32.6000112.7T142T142-D144 PolarHBondContact O-N 3.42Å; T142-D144 VanDerWaalsContact O-N 3.08Å
145N92.8Very high93.4Very high34 Ų3465.7 Ų65.718%0.18234%0.341CS..G310 helixtrans-83.5-16.5-175.979.216.1000113E140 L141 T142 L147 Q148 F152E140-N145 PolarHBondContact O-ND2 2.87Å; L141-N145 VanDerWaalsContact CA-OD1 3.27Å; L141-N145 WeakPolarHBondContact CA-OD1 3.34Å; T142-N145 PolarHBondContact N-OD1 3.33Å; T142-N145 PolarHBondContact O-N 2.93Å; T142-N145 PolarHBondContact O-OD1 3.48Å; T142-N145 PolarHBondContact OG1-N 3.04Å; N145-L147 PolarHBondContact O-N 3.45Å; N145-L147 VanDerWaalsContact O-N 3.15Å; N145-Q148 WeakPolarHBondContact O-CB 3.42Å; N145-Q148 PolarHBondContact O-N 3.1Å; N145-F152 HydrophobicContact CB-CZ 4.39Å; N145-F152 WeakPolarHBondContact O-CE2 3.48Å
146A90Very high93.4Very high2 Ų259.3 Ų59.32%0.01731%0.311CS..G310 helixtrans-57.9-30.4178.200000111.5T142 Q148 L149 H168 L169 Q173T142-A146 VanDerWaalsContact O-CB 3.25Å; T142-A146 WeakPolarHBondContact O-CB 3.38Å; T142-A146 PolarHBondContact O-N 2.96Å; A146-Q148 PolarHBondContact O-N 3.41Å; A146-L149 WeakPolarHBondContact O-CB 3.26Å; A146-L149 PolarHBondContact O-N 3.46Å; A146-H168 HydrophobicContact CB-CB 4.49Å; A146-H168 WeakPolarHBondContact CB-O 3.5Å; A146-L169 HydrophobicContact CB-CD2 4.05Å; A146-Q173 PolarHBondContact O-NE2 2.84Å
147L88.8Confident93.3Very high129 Ų12964 Ų6468%0.67533%0.334SS*.G310 helixtrans-60.9-26.4175.3-60.7176000113.1N145 L149N145-L147 PolarHBondContact O-N 3.45Å; N145-L147 VanDerWaalsContact O-N 3.15Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.4Å
148Q91.4Very high93Very high98 Ų9865.6 Ų65.646%0.45835%0.351SS..G310 helixtrans-87.615.5-179.4-61.3176.2-11.600113.2N145 A146 N150 D151 F152N145-Q148 WeakPolarHBondContact O-CB 3.42Å; N145-Q148 PolarHBondContact O-N 3.1Å; A146-Q148 PolarHBondContact O-N 3.41Å; Q148-N150 PolarHBondContact O-N 3.07Å; Q148-N150 VanDerWaalsContact O-N 3.11Å; Q148-D151 WeakPolarHBondContact O-CB 3.39Å; Q148-D151 PolarHBondContact O-N 3.46Å; Q148-F152 HydrophobicContact CB-CE1 4.07Å; Q148-F152 HydrophobicContact CB-CE2 4.17Å; Q148-F152 HydrophobicContact CB-CZ 3.74Å; Q148-F152 PolarHBondContact O-N 2.7Å
149L92.8Very high93Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-51.4-39.2-178.1179.363.8000113.1A146 L147 D151 F152 I153 L163 L169 Q173 L177A146-L149 WeakPolarHBondContact O-CB 3.26Å; A146-L149 PolarHBondContact O-N 3.46Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.4Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.42Å; L149-F152 PolarHBondContact O-N 2.8Å; L149-I153 HydrophobicContact CD1-CD1 4.29Å; L149-I153 HydrophobicContact CD1-CG1 4.4Å; L149-I153 HydrophobicContact CD2-CD1 4.35Å; L149-I153 HydrophobicContact CG-CD1 3.84Å; L149-I153 HydrophobicContact CG-CG1 4.4Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.49Å; L149-L163 HydrophobicContact CD1-CD1 4.21Å; L149-L169 HydrophobicContact CD1-CD2 4.36Å; L149-L169 HydrophobicContact CD2-CD1 4.33Å; L149-L169 HydrophobicContact CD2-CD2 4.12Å; L149-Q173 HydrophobicContact CD2-CB 3.63Å; L149-Q173 HydrophobicContact CD2-CG 3.98Å; L149-L177 HydrophobicContact CD1-CD2 4.39Å; L149-L177 HydrophobicContact CD2-CD1 4.24Å; L149-L177 HydrophobicContact CD2-CD2 4.44Å; L149-L177 HydrophobicContact CD2-CG 4.1Å
150N93.8Very high93.1Very high93 Ų9357.9 Ų57.950%0.49732%0.322SS..Hα-helixtrans-64.4-35179.9-70-21.8000112.6Q148 I153 A154 H176Q148-N150 PolarHBondContact O-N 3.07Å; Q148-N150 VanDerWaalsContact O-N 3.11Å; N150-I153 PolarHBondContact O-N 2.88Å; N150-A154 WeakPolarHBondContact O-CB 3.48Å; N150-A154 PolarHBondContact O-N 3.35Å; N150-H176 PolarHBondContact OD1-CE1 3.48Å; N150-H176 VanDerWaalsContact OD1-CE1 3.29Å; N150-H176 PolarHBondContact OD1-ND1 3.04Å
151D94.2Very high93.2Very high97 Ų9752.7 Ų52.752%0.51930%0.297SS..Hα-helixtrans-68.2-39.8175.8-59.2-30.1000110.4Q148 L149 I153 A154 L155Q148-D151 WeakPolarHBondContact O-CB 3.39Å; Q148-D151 PolarHBondContact O-N 3.46Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.42Å; D151-I153 VanDerWaalsContact C-N 3.34Å; D151-A154 PolarHBondContact O-N 3.33Å; D151-L155 WeakPolarHBondContact O-CG 3.45Å; D151-L155 PolarHBondContact O-N 3.05Å
152F95Very high93.4Very high11 Ų1152.6 Ų52.65%0.04830%0.297CS..Hα-helixtrans-65.9-38.8176.5-52.1-27.8000111.9R139 L141 N145 Q148 L149 L155 A156 L161R139-F152 HydrophobicContact CB-CD2 4.23Å; R139-F152 HydrophobicContact CB-CE2 4.31Å; R139-F152 HydrophobicContact CG-CB 4.35Å; R139-F152 HydrophobicContact CG-CD1 3.9Å; R139-F152 HydrophobicContact CG-CD2 3.81Å; R139-F152 HydrophobicContact CG-CE1 4.12Å; R139-F152 HydrophobicContact CG-CE2 4.02Å; R139-F152 HydrophobicContact CG-CG 3.75Å; R139-F152 HydrophobicContact CG-CZ 4.18Å; L141-F152 HydrophobicContact CD2-CE2 4.28Å; N145-F152 HydrophobicContact CB-CZ 4.39Å; N145-F152 WeakPolarHBondContact O-CE2 3.48Å; Q148-F152 HydrophobicContact CB-CE1 4.07Å; Q148-F152 HydrophobicContact CB-CE2 4.17Å; Q148-F152 HydrophobicContact CB-CZ 3.74Å; Q148-F152 PolarHBondContact O-N 2.7Å; L149-F152 PolarHBondContact O-N 2.8Å; F152-L155 PolarHBondContact O-N 3.31Å; F152-A156 WeakPolarHBondContact O-CB 3.48Å; F152-A156 PolarHBondContact O-N 3.45Å; F152-A156 VanDerWaalsContact O-N 3.1Å; F152-L161 HydrophobicContact CB-CD1 4.09Å
153I95.2Very high93.7Very high21 Ų2150.2 Ų50.211%0.10828%0.282CS..Hα-helixtrans-62.2-46.3173.7-73.6165.4000110.8L149 N150 D151 L155 A156 Q157 L161 L177 L180 F188L149-I153 HydrophobicContact CD1-CD1 4.29Å; L149-I153 HydrophobicContact CD1-CG1 4.4Å; L149-I153 HydrophobicContact CD2-CD1 4.35Å; L149-I153 HydrophobicContact CG-CD1 3.84Å; L149-I153 HydrophobicContact CG-CG1 4.4Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.49Å; N150-I153 PolarHBondContact O-N 2.88Å; D151-I153 VanDerWaalsContact C-N 3.34Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.85Å; I153-A156 PolarHBondContact O-N 3.4Å; I153-A156 VanDerWaalsContact O-N 3.15Å; I153-Q157 PolarHBondContact O-N 2.91Å; I153-L161 HydrophobicContact CG1-CD2 4.05Å; I153-L177 HydrophobicContact CD1-CD2 3.96Å; I153-L177 HydrophobicContact CG1-CD2 4.3Å; I153-L180 HydrophobicContact CD1-CD1 3.83Å; I153-L180 HydrophobicContact CG1-CD1 4.41Å; I153-L180 HydrophobicContact CG2-CD1 3.98Å; I153-F188 HydrophobicContact CB-CE1 4.26Å; I153-F188 HydrophobicContact CG1-CE1 4Å; I153-F188 HydrophobicContact CG1-CZ 4.06Å; I153-F188 HydrophobicContact CG2-CD1 4.31Å; I153-F188 HydrophobicContact CG2-CE1 3.69Å
154A95Very high93.9Very high63 Ų6346.3 Ų46.352%0.52126%0.257SS..Hα-helixtrans-61.1-42.5179.100000111.9N150 D151 A156 Q157N150-A154 WeakPolarHBondContact O-CB 3.48Å; N150-A154 PolarHBondContact O-N 3.35Å; D151-A154 PolarHBondContact O-N 3.33Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 3.03Å; A154-Q157 WeakPolarHBondContact O-CB 3.3Å; A154-Q157 PolarHBondContact O-N 3.43Å
155L94.7Very high94Very high96 Ų9642 Ų4250%0.50323%0.232SC..Hα-helixtrans-64.4-32.1175.6-70.2172.2000113V137 D151 F152 I153 Q157V137-L155 HydrophobicContact CG1-CB 4.49Å; V137-L155 HydrophobicContact CG2-CB 3.91Å; D151-L155 WeakPolarHBondContact O-CG 3.45Å; D151-L155 PolarHBondContact O-N 3.05Å; F152-L155 PolarHBondContact O-N 3.31Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.85Å; L155-Q157 VanDerWaalsContact C-N 3.34Å
156A94.8Very high93.9Very high0 Ų040.8 Ų40.80%023%0.226CC..THydrogen-bonded Turntrans-86.1-1.9-176.200000113.9V137 F152 I153 A154 G158 G159 L161 F188V137-A156 HydrophobicContact CB-CB 4.11Å; V137-A156 HydrophobicContact CG2-CB 3.96Å; F152-A156 WeakPolarHBondContact O-CB 3.48Å; F152-A156 PolarHBondContact O-N 3.45Å; F152-A156 VanDerWaalsContact O-N 3.1Å; I153-A156 PolarHBondContact O-N 3.4Å; I153-A156 VanDerWaalsContact O-N 3.15Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 3.03Å; A156-G158 PolarHBondContact O-N 2.92Å; A156-G159 CarbonylContact O-C 3.57Å; A156-G159 WeakPolarHBondContact O-CA 3.48Å; A156-G159 PolarHBondContact O-N 3.13Å; A156-L161 HydrophobicContact CB-CB 3.71Å; A156-L161 HydrophobicContact CB-CD1 4.15Å; A156-L161 HydrophobicContact CB-CG 4.41Å; A156-F188 HydrophobicContact CB-CB 4.21Å; A156-F188 HydrophobicContact CB-CG 4.3Å; A156-F188 WeakPolarHBondContact O-CB 3.2Å
157Q93.5Very high94Very high143 Ų14343.1 Ų43.167%0.66824%0.237SC*.THydrogen-bonded Turntrans-58.4126.9-175.7-165.7174.52.400111.6I153 A154 L155 G159I153-Q157 PolarHBondContact O-N 2.91Å; A154-Q157 WeakPolarHBondContact O-CB 3.3Å; A154-Q157 PolarHBondContact O-N 3.43Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-G159 PolarHBondContact O-N 2.7Å
158G91.6Very high94.2Very high40 Ų4040.6 Ų40.641%0.41222%0.221SC..THydrogen-bonded Turntrans78.9-11.3-172.300000114.7N131 A156 P187N131-G158 WeakPolarHBondContact CB-O 3.27Å; N131-G158 PolarHBondContact ND2-O 2.71Å; A156-G158 PolarHBondContact O-N 2.92Å; G158-P187 PolarHBondContact N-O 2.93Å
159G95.2Very high94.3Very high0 Ų036.3 Ų36.30%020%0.201CC..SBendtrans-110.6-142.5-175.400000114.2N131 E135 A156 Q157 F188 R189N131-G159 VanDerWaalsContact CB-O 3.29Å; N131-G159 WeakPolarHBondContact CB-O 3.46Å; N131-G159 PolarHBondContact ND2-O 2.88Å; E135-G159 WeakPolarHBondContact O-CA 3.41Å; A156-G159 CarbonylContact O-C 3.57Å; A156-G159 WeakPolarHBondContact O-CA 3.48Å; A156-G159 PolarHBondContact O-N 3.13Å; Q157-G159 PolarHBondContact O-N 2.7Å; G159-F188 WeakPolarHBondContact O-CA 3.4Å; G159-R189 PolarHBondContact O-N 3.36Å
160T96.9Very high94.3Very high0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-127.7126.8179.8-59.60000110.2H126 E135 V137 V162 R189 I191H126-T160 HydrophobicContact CB-CG2 4.36Å; H126-T160 WeakPolarHBondContact ND1-CB 3.43Å; H126-T160 PolarHBondContact ND1-OG1 3.15Å; E135-T160 PolarHBondContact O-N 2.99Å; V137-T160 PolarHBondContact N-O 2.7Å; T160-V162 HydrophobicContact CG2-CG2 3.94Å; T160-R189 CarbonylContact C-O 3.52Å; T160-R189 WeakPolarHBondContact CA-O 3.41Å; T160-R189 HydrophobicContact CG2-CB 4.29Å; T160-R189 HydrophobicContact CG2-CG 4.46Å; T160-I191 HydrophobicContact CG2-CD1 3.6Å; T160-I191 HydrophobicContact CG2-CG1 3.88Å
161L97.4Very high94.3Very high0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans-98.7118.6171-176.260.4000109.5V137 F152 I153 A156 L163 L177 F188 R189 I191V137-L161 HydrophobicContact CB-CD1 4.15Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; F152-L161 HydrophobicContact CB-CD1 4.09Å; I153-L161 HydrophobicContact CG1-CD2 4.05Å; A156-L161 HydrophobicContact CB-CB 3.71Å; A156-L161 HydrophobicContact CB-CD1 4.15Å; A156-L161 HydrophobicContact CB-CG 4.41Å; L161-L163 HydrophobicContact CD1-CD2 3.95Å; L161-L163 HydrophobicContact CD1-CG 4.5Å; L161-L163 HydrophobicContact CD2-CD1 4.18Å; L161-L163 HydrophobicContact CD2-CD2 4.29Å; L161-L163 HydrophobicContact CD2-CG 4.27Å; L161-L163 HydrophobicContact CG-CD1 4.46Å; L161-L163 HydrophobicContact CG-CD2 4.01Å; L161-L163 HydrophobicContact CG-CG 4.02Å; L161-L177 HydrophobicContact CD2-CD2 4.48Å; L161-F188 HydrophobicContact CB-CD2 3.5Å; L161-F188 HydrophobicContact CB-CE2 3.69Å; L161-F188 HydrophobicContact CB-CG 4.28Å; L161-F188 HydrophobicContact CD2-CD2 4.31Å; L161-F188 HydrophobicContact CD2-CE2 3.69Å; L161-F188 HydrophobicContact CD2-CZ 3.91Å; L161-F188 HydrophobicContact CG-CE2 4.32Å; L161-R189 PolarHBondContact N-O 3.28Å; L161-I191 PolarHBondContact O-N 2.95Å
162V97.6Very high94.3Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-109.4117176.1-169.90000109.6A122 F136 V137 Y138 R139 T160 I191 I193A122-V162 HydrophobicContact CB-CG1 4.22Å; A122-V162 HydrophobicContact CB-CG2 4.3Å; F136-V162 HydrophobicContact CD2-CG2 4.25Å; F136-V162 HydrophobicContact CE1-CG2 4.46Å; F136-V162 HydrophobicContact CE2-CG2 3.46Å; F136-V162 VanDerWaalsContact CE2-CG2 3.46Å; F136-V162 HydrophobicContact CZ-CB 4.46Å; F136-V162 HydrophobicContact CZ-CG2 3.58Å; V137-V162 PolarHBondContact O-N 3.16Å; Y138-V162 WeakPolarHBondContact CA-O 3.44Å; Y138-V162 HydrophobicContact CD2-CB 4Å; Y138-V162 HydrophobicContact CD2-CG1 3.83Å; Y138-V162 HydrophobicContact CE2-CG1 4.46Å; R139-V162 PolarHBondContact N-O 3.29Å; T160-V162 HydrophobicContact CG2-CG2 3.94Å; V162-I191 CarbonylContact C-O 3.57Å; V162-I191 VanDerWaalsContact CA-O 3.23Å; V162-I191 WeakPolarHBondContact CA-O 3.28Å; V162-I191 HydrophobicContact CG1-CB 4.36Å; V162-I191 HydrophobicContact CG1-CG2 4.35Å; V162-I191 HydrophobicContact CG2-CB 4.15Å; V162-I193 HydrophobicContact CG1-CD1 3.53Å; V162-I193 HydrophobicContact CG1-CG1 3.9Å
163L96.7Very high94.3Very high5 Ų545.7 Ų45.73%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-113.7129.5-179.9-60.2178.1000110.5R139 L141 L149 L161 L169 L177 L190 I191 G192 I193R139-L163 HydrophobicContact CB-CD2 4.16Å; R139-L163 WeakPolarHBondContact O-CA 3.34Å; L141-L163 HydrophobicContact CD1-CB 4.13Å; L141-L163 HydrophobicContact CD1-CD1 4.34Å; L141-L163 HydrophobicContact CD1-CD2 4.27Å; L141-L163 HydrophobicContact CD1-CG 4.48Å; L141-L163 HydrophobicContact CD2-CD2 4.28Å; L141-L163 HydrophobicContact CG-CD2 4.33Å; L149-L163 HydrophobicContact CD1-CD1 4.21Å; L161-L163 HydrophobicContact CD1-CD2 3.95Å; L161-L163 HydrophobicContact CD1-CG 4.5Å; L161-L163 HydrophobicContact CD2-CD1 4.18Å; L161-L163 HydrophobicContact CD2-CD2 4.29Å; L161-L163 HydrophobicContact CD2-CG 4.27Å; L161-L163 HydrophobicContact CG-CD1 4.46Å; L161-L163 HydrophobicContact CG-CD2 4.01Å; L161-L163 HydrophobicContact CG-CG 4.02Å; L163-L169 HydrophobicContact CD1-CD1 4.39Å; L163-L177 HydrophobicContact CD1-CD1 3.9Å; L163-L190 HydrophobicContact CD1-CD1 4.14Å; L163-L190 HydrophobicContact CG-CD1 4.46Å; L163-I191 PolarHBondContact N-O 2.92Å; L163-G192 CarbonylContact O-C 3.57Å; L163-G192 WeakPolarHBondContact O-CA 3.45Å; L163-I193 PolarHBondContact O-N 3.44Å
164S94.7Very high94.3Very high4 Ų444.9 Ų44.93%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-106.8152.3161.548.10000111.1Y138 R139 E140 L141 I193Y138-S164 PolarHBondContact OH-OG 3.24Å; Y138-S164 VanDerWaalsContact OH-OG 3.06Å; R139-S164 PolarHBondContact O-N 3.23Å; E140-S164 WeakPolarHBondContact CA-OG 3.45Å; E140-S164 WeakPolarHBondContact CB-OG 3.23Å; E140-S164 WeakPolarHBondContact CG-OG 3.41Å; L141-S164 VanDerWaalsContact CB-O 3.24Å; L141-S164 WeakPolarHBondContact CB-O 3.3Å; L141-S164 WeakPolarHBondContact CG-O 3.38Å; L141-S164 PolarHBondContact N-O 3.45Å; S164-I193 VanDerWaalsContact CA-O 3.25Å; S164-I193 WeakPolarHBondContact CA-O 3.17Å; S164-I193 WeakPolarHBondContact CB-O 3.47Å
165H91.3Very high94.3Very high45 Ų4546.7 Ų46.721%0.20823%0.228CC..  trans5750.3-175.6-56.1-68.5000115.3E167 H168H165-E167 VanDerWaalsContact CA-CD 3.42Å; H165-E167 WeakPolarHBondContact CA-OE1 3.44Å; H165-E167 WeakPolarHBondContact CA-OE2 3.44Å; H165-E167 WeakPolarHBondContact CB-OE1 3.2Å; H165-E167 IonicContact CG-OE1 2.7Å; H165-E167 IonicContact ND1-OE1 3.25Å; H165-E167 PolarHBondContact ND1-OE1 3.26Å; H165-E167 PolarHBondContact O-N 3.12Å; H165-H168 PolarHBondContact O-N 2.99Å; H165-H168 VanDerWaalsContact O-N 3.09Å
166P91.8Very high94.3Very high9 Ų945.1 Ų45.16%0.05822%0.218CC..G310 helixtrans-60.4-13.6178.430.4-38000114.1W109 H168 L169 I207W109-P166 HydrophobicContact CH2-CG 3.58Å; W109-P166 HydrophobicContact CZ3-CG 3.75Å; P166-H168 PolarHBondContact O-N 3.33Å; P166-L169 HydrophobicContact CB-CD1 4.45Å; P166-L169 WeakPolarHBondContact O-CB 3.4Å; P166-L169 PolarHBondContact O-N 2.88Å; P166-I207 HydrophobicContact CB-CD1 3.89Å; P166-I207 HydrophobicContact CG-CD1 3.97Å
167E90.9Very high94.3Very high52 Ų5245.2 Ų45.224%0.24322%0.218CC..G310 helixtrans-57.2-20.7170.358.9-90.6-156.600114H165 L169 H206H165-E167 VanDerWaalsContact CA-CD 3.42Å; H165-E167 WeakPolarHBondContact CA-OE1 3.44Å; H165-E167 WeakPolarHBondContact CA-OE2 3.44Å; H165-E167 WeakPolarHBondContact CB-OE1 3.2Å; H165-E167 IonicContact CG-OE1 2.7Å; H165-E167 IonicContact ND1-OE1 3.25Å; H165-E167 PolarHBondContact ND1-OE1 3.26Å; H165-E167 PolarHBondContact O-N 3.12Å; E167-L169 VanDerWaalsContact C-N 3.34Å; E167-H206 HydrophobicContact CB-CB 3.76Å
168H92.9Very high94.4Very high76 Ų7639.3 Ų39.335%0.35219%0.192SC..G310 helixtrans-81.9-10.7175-67-48.8000113.7L141 A146 H165 P166L141-H168 HydrophobicContact CB-CB 4.32Å; L141-H168 PolarHBondContact O-CD2 3.48Å; A146-H168 HydrophobicContact CB-CB 4.49Å; A146-H168 WeakPolarHBondContact CB-O 3.5Å; H165-H168 PolarHBondContact O-N 2.99Å; H165-H168 VanDerWaalsContact O-N 3.09Å; P166-H168 PolarHBondContact O-N 3.33Å
169L93.6Very high94.5Very high7 Ų743.6 Ų43.64%0.03720%0.201CC..SBendtrans-74.6137.8174.7-60.5-180000110.6L141 A146 L149 L163 P166 E167 Q173 Q174 L177L141-L169 HydrophobicContact CD1-CD1 4.05Å; L141-L169 HydrophobicContact CD1-CD2 3.66Å; L141-L169 HydrophobicContact CD1-CG 3.69Å; L141-L169 HydrophobicContact CD2-CD2 4.06Å; L141-L169 HydrophobicContact CG-CD2 4.47Å; A146-L169 HydrophobicContact CB-CD2 4.05Å; L149-L169 HydrophobicContact CD1-CD2 4.36Å; L149-L169 HydrophobicContact CD2-CD1 4.33Å; L149-L169 HydrophobicContact CD2-CD2 4.12Å; L163-L169 HydrophobicContact CD1-CD1 4.39Å; P166-L169 HydrophobicContact CB-CD1 4.45Å; P166-L169 WeakPolarHBondContact O-CB 3.4Å; P166-L169 PolarHBondContact O-N 2.88Å; E167-L169 VanDerWaalsContact C-N 3.34Å; L169-Q173 HydrophobicContact CB-CB 4.18Å; L169-Q174 HydrophobicContact CB-CG 3.81Å; L169-Q174 HydrophobicContact CD1-CG 4.46Å; L169-Q174 PolarHBondContact O-NE2 3.35Å; L169-L177 HydrophobicContact CD1-CD1 3.59Å
170T93.7Very high94.5Very high69 Ų6944.6 Ų44.642%0.42321%0.207SC..  trans-63157.4169.363.90000110.9E172 Q173 Q174T170-E172 PolarHBondContact O-N 2.86Å; T170-Q173 WeakPolarHBondContact O-CB 3.23Å; T170-Q173 PolarHBondContact O-N 2.7Å; T170-Q173 VanDerWaalsContact O-N 3.11Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.34Å; T170-Q173 VanDerWaalsContact OG1-CD 3.31Å; T170-Q173 VanDerWaalsContact OG1-CG 3.22Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.34Å; T170-Q173 PolarHBondContact OG1-N 3.1Å; T170-Q173 PolarHBondContact OG1-OE1 3.4Å; T170-Q174 WeakPolarHBondContact O-CG 3.5Å; T170-Q174 PolarHBondContact O-N 3.39Å
171R93.8Very high94.3Very high141 Ų14145 Ų4553%0.53221%0.209SC..Hα-helixtrans-57.3-38.1177.5-70.3-176.6172-168-7.8112.6Q174 Y175 N205 I208R171-Q174 PolarHBondContact O-N 3.16Å; R171-Y175 WeakPolarHBondContact O-CD2 3.44Å; R171-Y175 PolarHBondContact O-N 3.02Å; R171-N205 PolarHBondContact NH2-ND2 3.27Å; R171-N205 VanDerWaalsContact NH2-ND2 3.13Å; R171-N205 PolarHBondContact NH2-OD1 3.05Å; R171-I208 HydrophobicContact CB-CG2 4.3Å; R171-I208 HydrophobicContact CG-CG2 3.97Å
172E93.9Very high94Very high162 Ų16249.2 Ų49.276%0.75724%0.238SC*.Hα-helixtrans-62-43.2176.8-64.6-174.3170.800112T170 Y175 H176T170-E172 PolarHBondContact O-N 2.86Å; E172-Y175 PolarHBondContact O-N 3.33Å; E172-H176 PolarHBondContact O-N 3.25Å
173Q95.1Very high93.7Very high27 Ų2753.5 Ų53.513%0.12626%0.258CS..Hα-helixtrans-65.1-38.8176.1-75.4172-33.900112.5A146 L149 L169 T170 H176 L177A146-Q173 PolarHBondContact O-NE2 2.84Å; L149-Q173 HydrophobicContact CD2-CB 3.63Å; L149-Q173 HydrophobicContact CD2-CG 3.98Å; L169-Q173 HydrophobicContact CB-CB 4.18Å; T170-Q173 WeakPolarHBondContact O-CB 3.23Å; T170-Q173 PolarHBondContact O-N 2.7Å; T170-Q173 VanDerWaalsContact O-N 3.11Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.34Å; T170-Q173 VanDerWaalsContact OG1-CD 3.31Å; T170-Q173 VanDerWaalsContact OG1-CG 3.22Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.34Å; T170-Q173 PolarHBondContact OG1-N 3.1Å; T170-Q173 PolarHBondContact OG1-OE1 3.4Å; Q173-H176 PolarHBondContact O-N 2.65Å; Q173-L177 PolarHBondContact O-N 2.93Å
174Q95.3Very high93.1Very high3 Ų361.7 Ų61.71%0.01430%0.296CS..Hα-helixtrans-63.9-43.9174.4-64.6-178.632.900111.2L169 T170 R171 H176 L177 V178 H206 I208 L211L169-Q174 HydrophobicContact CB-CG 3.81Å; L169-Q174 HydrophobicContact CD1-CG 4.46Å; L169-Q174 PolarHBondContact O-NE2 3.35Å; T170-Q174 WeakPolarHBondContact O-CG 3.5Å; T170-Q174 PolarHBondContact O-N 3.39Å; R171-Q174 PolarHBondContact O-N 3.16Å; Q174-H176 VanDerWaalsContact C-N 3.32Å; Q174-H176 PolarHBondContact O-N 3Å; Q174-L177 PolarHBondContact O-N 2.99Å; Q174-V178 WeakPolarHBondContact O-CG2 3.12Å; Q174-V178 PolarHBondContact O-N 3.18Å; Q174-V178 VanDerWaalsContact O-N 3.08Å; Q174-H206 PolarHBondContact NE2-O 3.27Å; Q174-I208 HydrophobicContact CB-CD1 3.69Å; Q174-I208 HydrophobicContact CB-CG1 3.92Å; Q174-L211 HydrophobicContact CB-CD2 4.03Å; Q174-L211 HydrophobicContact CG-CD2 3.94Å
175Y95.1Very high92.7Very high102 Ų10268.5 Ų68.540%0.433%0.327SS..Hα-helixtrans-60.3-40.4173.5-85.6-64.3000112.4R171 E172 L177 V178 Q179 I208 E210R171-Y175 WeakPolarHBondContact O-CD2 3.44Å; R171-Y175 PolarHBondContact O-N 3.02Å; E172-Y175 PolarHBondContact O-N 3.33Å; Y175-L177 PolarHBondContact O-N 3.03Å; Y175-V178 WeakPolarHBondContact O-CB 3.39Å; Y175-V178 PolarHBondContact O-N 3.42Å; Y175-Q179 WeakPolarHBondContact O-CG 3.46Å; Y175-Q179 PolarHBondContact O-N 3.01Å; Y175-I208 HydrophobicContact CD1-CD1 3.72Å; Y175-I208 HydrophobicContact CD2-CD1 3.87Å; Y175-I208 HydrophobicContact CE1-CD1 3.83Å; Y175-I208 HydrophobicContact CE2-CD1 3.96Å; Y175-I208 HydrophobicContact CE2-CG2 4.49Å; Y175-I208 HydrophobicContact CG-CD1 3.73Å; Y175-E210 HydrophobicContact CE1-CB 4.42Å; Y175-E210 VanDerWaalsContact CE1-CD 3.47Å; Y175-E210 HydrophobicContact CE1-CG 3.97Å; Y175-E210 WeakPolarHBondContact CE1-OE1 3.3Å; Y175-E210 PolarHBondContact OH-OE1 3.4Å
176H94.9Very high92.7Very high62 Ų6269.9 Ų69.929%0.28733%0.33SS..Hα-helixtrans-60.8-44.5176.5-175.5-152.2000111.7N150 E172 Q173 Q174 V178 Q179 L180N150-H176 PolarHBondContact OD1-CE1 3.48Å; N150-H176 VanDerWaalsContact OD1-CE1 3.29Å; N150-H176 PolarHBondContact OD1-ND1 3.04Å; E172-H176 PolarHBondContact O-N 3.25Å; Q173-H176 PolarHBondContact O-N 2.65Å; Q174-H176 VanDerWaalsContact C-N 3.32Å; Q174-H176 PolarHBondContact O-N 3Å; H176-V178 VanDerWaalsContact C-N 3.34Å; H176-V178 PolarHBondContact O-N 3.2Å; H176-Q179 PolarHBondContact O-N 2.9Å; H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 3.04Å; H176-L180 VanDerWaalsContact O-N 3.13Å
177L94.8Very high92.8Very high2 Ų270.9 Ų70.91%0.0134%0.337CS..Hα-helixtrans-59.6-43.4174.3-73175.1000112.3L149 I153 L161 L163 L169 Q173 Q174 Y175 Q179 L180 Q181 F188 L211L149-L177 HydrophobicContact CD1-CD2 4.39Å; L149-L177 HydrophobicContact CD2-CD1 4.24Å; L149-L177 HydrophobicContact CD2-CD2 4.44Å; L149-L177 HydrophobicContact CD2-CG 4.1Å; I153-L177 HydrophobicContact CD1-CD2 3.96Å; I153-L177 HydrophobicContact CG1-CD2 4.3Å; L161-L177 HydrophobicContact CD2-CD2 4.48Å; L163-L177 HydrophobicContact CD1-CD1 3.9Å; L169-L177 HydrophobicContact CD1-CD1 3.59Å; Q173-L177 PolarHBondContact O-N 2.93Å; Q174-L177 PolarHBondContact O-N 2.99Å; Y175-L177 PolarHBondContact O-N 3.03Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.37Å; L177-L180 PolarHBondContact O-N 3.44Å; L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.24Å; L177-F188 HydrophobicContact CD2-CZ 4.03Å; L177-L211 HydrophobicContact CB-CD1 4.49Å
178V94.7Very high93Very high19 Ų1968.5 Ų68.512%0.11533%0.326CS..Hα-helixtrans-59.5-44.6177172.10000111.3Q174 Y175 H176 L180 Q181 S182 I208 E210 L211Q174-V178 WeakPolarHBondContact O-CG2 3.12Å; Q174-V178 PolarHBondContact O-N 3.18Å; Q174-V178 VanDerWaalsContact O-N 3.08Å; Y175-V178 WeakPolarHBondContact O-CB 3.39Å; Y175-V178 PolarHBondContact O-N 3.42Å; H176-V178 VanDerWaalsContact C-N 3.34Å; H176-V178 PolarHBondContact O-N 3.2Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.95Å; V178-Q181 PolarHBondContact O-N 3.07Å; V178-S182 WeakPolarHBondContact O-CB 3.4Å; V178-S182 PolarHBondContact O-N 3.33Å; V178-S182 PolarHBondContact O-OG 3.29Å; V178-I208 HydrophobicContact CG2-CD1 4.47Å; V178-E210 HydrophobicContact CG1-CB 4.1Å; V178-E210 HydrophobicContact CG2-CB 4.05Å; V178-L211 HydrophobicContact CG2-CB 3.86Å; V178-L211 HydrophobicContact CG2-CD1 4.07Å
179Q94.6Very high93.2Very high130 Ų13064.9 Ų64.961%0.60731%0.309SS*.Hα-helixtrans-59.3-43.8178.2-73.9179.3-12.300111.6Y175 H176 L177 S182 Q183Y175-Q179 WeakPolarHBondContact O-CG 3.46Å; Y175-Q179 PolarHBondContact O-N 3.01Å; H176-Q179 PolarHBondContact O-N 2.9Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.37Å; Q179-S182 PolarHBondContact O-N 3.26Å; Q179-Q183 WeakPolarHBondContact O-CG 3.32Å
180L94.4Very high93.3Very high22 Ų2264.7 Ų64.712%0.11531%0.308CS..Hα-helixtrans-66.2-37.2177.5-62.4175.1000112.3I153 H176 L177 V178 S182 P187 F188I153-L180 HydrophobicContact CD1-CD1 3.83Å; I153-L180 HydrophobicContact CG1-CD1 4.41Å; I153-L180 HydrophobicContact CG2-CD1 3.98Å; H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 3.04Å; H176-L180 VanDerWaalsContact O-N 3.13Å; L177-L180 PolarHBondContact O-N 3.44Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.95Å; L180-S182 VanDerWaalsContact C-N 3.29Å; L180-S182 PolarHBondContact O-N 3.46Å; L180-P187 HydrophobicContact CB-CG 4.06Å; L180-P187 HydrophobicContact CD2-CG 4.22Å; L180-P187 WeakPolarHBondContact O-CD 3.32Å; L180-F188 HydrophobicContact CD1-CE1 3.92Å; L180-F188 HydrophobicContact CD1-CZ 4.23Å
181Q93.5Very high93.5Very high9 Ų961.4 Ų61.44%0.04229%0.288CS..Hα-helixtrans-76.7-14.2178.8-66.6-58.4-59.200114L177 V178 R186 F188 L190L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.24Å; V178-Q181 PolarHBondContact O-N 3.07Å; Q181-R186 PolarHBondContact O-NE 3.48Å; Q181-F188 PolarHBondContact NE2-O 2.8Å; Q181-F188 VanDerWaalsContact NE2-O 3.15Å; Q181-L190 HydrophobicContact CG-CB 4.14Å; Q181-L190 HydrophobicContact CG-CD2 3.85Å
182S91.5Very high93.6Very high87 Ų8754.9 Ų54.961%0.60826%0.264SS*.THydrogen-bonded Turntrans-91.7-5177.8-56.40000113.6V178 Q179 L180V178-S182 WeakPolarHBondContact O-CB 3.4Å; V178-S182 PolarHBondContact O-N 3.33Å; V178-S182 PolarHBondContact O-OG 3.29Å; Q179-S182 PolarHBondContact O-N 3.26Å; L180-S182 VanDerWaalsContact C-N 3.29Å; L180-S182 PolarHBondContact O-N 3.46Å
183Q90.3Very high93.7Very high91 Ų9147.5 Ų47.543%0.42523%0.23SC..SBendtrans-69.4147.1176-61.6-178.7800110.7Q179 H185Q179-Q183 WeakPolarHBondContact O-CG 3.32Å; Q183-H185 PolarHBondContact O-N 3.48Å
184E84.1Confident93.6Very high176 Ų17646.5 Ų46.582%0.82223%0.226SC*.SBendtrans-57.5-41.5175.2-175-178-169.100111.3
185H87Confident93.5Very high147 Ų14750 Ų5068%0.68125%0.246SC*.SBendtrans-109.199.3172.4-64.184.5000108.6Q183Q183-H185 PolarHBondContact O-N 3.48Å
186R91.5Very high93.3Very high75 Ų7547.6 Ų47.628%0.28324%0.241SC..  trans-65.8130.2179-62-177.7-174.191.42.8109.6D105 Q181 F188D105-R186 IonicContact OD1-NH1 2.79Å; D105-R186 PolarHBondContact OD1-NH1 3.35Å; D105-R186 IonicContact OD2-CZ 2.67Å; D105-R186 IonicContact OD2-NH1 3.83Å; D105-R186 PolarHBondContact OD2-NH1 2.72Å; Q181-R186 PolarHBondContact O-NE 3.48Å; R186-F188 PolarHBondContact O-N 2.99Å
187P93.3Very high93.2Very high30 Ų3045.2 Ų45.220%0.19523%0.232CC..SBendtrans-65.7-26.1-178.725.4-33.7000112.1G158 L180G158-P187 PolarHBondContact N-O 2.93Å; L180-P187 HydrophobicContact CB-CG 4.06Å; L180-P187 HydrophobicContact CD2-CG 4.22Å; L180-P187 WeakPolarHBondContact O-CD 3.32Å
188F95.4Very high93Very high1 Ų145.2 Ų45.20%0.00423%0.232CC..SBendtrans-156.8158.617758.5-93.5000109.8I153 A156 G159 L161 L177 L180 Q181 R186 L190I153-F188 HydrophobicContact CB-CE1 4.26Å; I153-F188 HydrophobicContact CG1-CE1 4Å; I153-F188 HydrophobicContact CG1-CZ 4.06Å; I153-F188 HydrophobicContact CG2-CD1 4.31Å; I153-F188 HydrophobicContact CG2-CE1 3.69Å; A156-F188 HydrophobicContact CB-CB 4.21Å; A156-F188 HydrophobicContact CB-CG 4.3Å; A156-F188 WeakPolarHBondContact O-CB 3.2Å; G159-F188 WeakPolarHBondContact O-CA 3.4Å; L161-F188 HydrophobicContact CB-CD2 3.5Å; L161-F188 HydrophobicContact CB-CE2 3.69Å; L161-F188 HydrophobicContact CB-CG 4.28Å; L161-F188 HydrophobicContact CD2-CD2 4.31Å; L161-F188 HydrophobicContact CD2-CE2 3.69Å; L161-F188 HydrophobicContact CD2-CZ 3.91Å; L161-F188 HydrophobicContact CG-CE2 4.32Å; L177-F188 HydrophobicContact CD2-CZ 4.03Å; L180-F188 HydrophobicContact CD1-CE1 3.92Å; L180-F188 HydrophobicContact CD1-CZ 4.23Å; Q181-F188 PolarHBondContact NE2-O 2.8Å; Q181-F188 VanDerWaalsContact NE2-O 3.15Å; R186-F188 PolarHBondContact O-N 2.99Å; F188-L190 HydrophobicContact CE2-CB 4.14Å; F188-L190 HydrophobicContact CE2-CD1 4.25Å
189R95.8Very high92.7Very high0 Ų048.1 Ų48.10%025%0.249CC..EExtended strand (participates in β ladder)trans-78.6126.3170.1-177.5-178.3-173144.424110.1L101 T104 L125 G159 T160 L161 I191L101-R189 PolarHBondContact O-NH1 3.44Å; L101-R189 PolarHBondContact O-NH2 3.49Å; T104-R189 PolarHBondContact O-NH1 2.96Å; T104-R189 PolarHBondContact O-NH2 2.74Å; L125-R189 PolarHBondContact O-NH1 3.35Å; G159-R189 PolarHBondContact O-N 3.36Å; T160-R189 CarbonylContact C-O 3.52Å; T160-R189 WeakPolarHBondContact CA-O 3.41Å; T160-R189 HydrophobicContact CG2-CB 4.29Å; T160-R189 HydrophobicContact CG2-CG 4.46Å; L161-R189 PolarHBondContact N-O 3.28Å; R189-I191 HydrophobicContact CG-CG1 4.38Å
190L96.9Very high92.5Very high4 Ų446.8 Ų46.82%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-92.3128.4175.6-178.862.4000111.4A107 V108 L163 Q181 F188 F215A107-L190 CarbonylContact C-O 3.4Å; A107-L190 WeakPolarHBondContact CA-O 3.44Å; A107-L190 HydrophobicContact CB-CB 4.05Å; A107-L190 HydrophobicContact CB-CG 4.5Å; V108-L190 PolarHBondContact N-O 2.96Å; V108-L190 VanDerWaalsContact N-O 3.08Å; L163-L190 HydrophobicContact CD1-CD1 4.14Å; L163-L190 HydrophobicContact CG-CD1 4.46Å; Q181-L190 HydrophobicContact CG-CB 4.14Å; Q181-L190 HydrophobicContact CG-CD2 3.85Å; F188-L190 HydrophobicContact CE2-CB 4.14Å; F188-L190 HydrophobicContact CE2-CD1 4.25Å; L190-F215 HydrophobicContact CD2-CE1 4.39Å; L190-F215 HydrophobicContact CD2-CE2 4.19Å; L190-F215 HydrophobicContact CD2-CZ 3.54Å; L190-F215 HydrophobicContact CG-CE1 4.28Å; L190-F215 HydrophobicContact CG-CZ 3.79Å
191I97.3Very high92.2Very high0 Ų046.6 Ų46.60%024%0.242CC..EExtended strand (participates in β ladder)trans-126.5129.6170.3-55.8179.1000108.3V108 L110 A122 L125 T160 L161 V162 L163 R189V108-I191 CarbonylContact O-C 3.52Å; V108-I191 VanDerWaalsContact O-CA 3.3Å; V108-I191 WeakPolarHBondContact O-CA 3.12Å; L110-I191 HydrophobicContact CD1-CG2 4.27Å; L110-I191 HydrophobicContact CG-CG2 4.46Å; A122-I191 HydrophobicContact CB-CD1 4.25Å; A122-I191 HydrophobicContact CB-CG2 4Å; L125-I191 HydrophobicContact CB-CD1 3.81Å; L125-I191 HydrophobicContact CD1-CD1 4.02Å; T160-I191 HydrophobicContact CG2-CD1 3.6Å; T160-I191 HydrophobicContact CG2-CG1 3.88Å; L161-I191 PolarHBondContact O-N 2.95Å; V162-I191 CarbonylContact C-O 3.57Å; V162-I191 VanDerWaalsContact CA-O 3.23Å; V162-I191 WeakPolarHBondContact CA-O 3.28Å; V162-I191 HydrophobicContact CG1-CB 4.36Å; V162-I191 HydrophobicContact CG1-CG2 4.35Å; V162-I191 HydrophobicContact CG2-CB 4.15Å; L163-I191 PolarHBondContact N-O 2.92Å; R189-I191 HydrophobicContact CG-CG1 4.38Å
192G96.6Very high92.1Very high3 Ų348.3 Ų48.33%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-106.8142.9172.700000111.9V108 W109 L110 L163V108-G192 PolarHBondContact O-N 3.32Å; W109-G192 VanDerWaalsContact CE3-C 3.45Å; W109-G192 VanDerWaalsContact CZ3-CA 3.4Å; L110-G192 PolarHBondContact N-O 3.19Å; L163-G192 CarbonylContact O-C 3.57Å; L163-G192 WeakPolarHBondContact O-CA 3.45Å
193I96Very high92Very high8 Ų848.5 Ų48.54%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-124.1125.8176.7-64.7179.6000108.6L110 R118 M119 A122 V162 L163 S164L110-I193 HydrophobicContact CB-CG1 4.5Å; L110-I193 WeakPolarHBondContact O-CA 3.49Å; R118-I193 HydrophobicContact CB-CD1 4.44Å; R118-I193 HydrophobicContact CB-CG1 4.5Å; R118-I193 HydrophobicContact CB-CG2 3.87Å; R118-I193 HydrophobicContact CG-CG2 4.41Å; M119-I193 HydrophobicContact CE-CD1 3.59Å; M119-I193 HydrophobicContact SD-CD1 4.34Å; A122-I193 HydrophobicContact CB-CD1 4.08Å; V162-I193 HydrophobicContact CG1-CD1 3.53Å; V162-I193 HydrophobicContact CG1-CG1 3.9Å; L163-I193 PolarHBondContact O-N 3.44Å; S164-I193 VanDerWaalsContact CA-O 3.25Å; S164-I193 WeakPolarHBondContact CA-O 3.17Å; S164-I193 WeakPolarHBondContact CB-O 3.47Å
194G93.3Very high92Very high5 Ų547 Ų475%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-148.7164.4179.300000113.5L110 Y111 G112 R118L110-G194 PolarHBondContact O-N 2.79Å; Y111-G194 CarbonylContact C-O 3.55Å; Y111-G194 WeakPolarHBondContact CA-O 3.49Å; Y111-G194 WeakPolarHBondContact CB-O 3.34Å; G112-G194 PolarHBondContact N-O 2.89Å; R118-G194 PolarHBondContact NH1-O 3.36Å
195D91.9Very high92.2Very high78 Ų7843.8 Ų43.842%0.41725%0.248SC..SBendtrans-77.1-28.4179.4-64.2-30.5000111.8G112 R118G112-D195 WeakPolarHBondContact CA-O 3.21Å; G112-D195 PolarHBondContact N-O 3.32Å; R118-D195 IonicContact CZ-OD1 2.83Å; R118-D195 IonicContact NH1-OD1 2.83Å; R118-D195 PolarHBondContact NH1-OD1 3.39Å; R118-D195 IonicContact NH2-OD1 3.28Å; R118-D195 PolarHBondContact NH2-OD1 3.24Å
196T91.8Very high92.3Very high50 Ų5041.4 Ų41.431%0.30724%0.237SC..SBendtrans-121170.3-176.957.90000112.6W109 Y111 E200W109-T196 PolarHBondContact NE1-O 2.84Å; W109-T196 VanDerWaalsContact NE1-O 3.15Å; Y111-T196 WeakPolarHBondContact CB-O 3.35Å; T196-E200 WeakPolarHBondContact CB-OE2 3.36Å; T196-E200 WeakPolarHBondContact CG2-OE2 3.4Å
197S92.3Very high92.3Very high13 Ų1338 Ų389%0.09122%0.224CC..  trans-68.6152.9174.169.30000111.2V199 E200 L201S197-V199 PolarHBondContact O-N 3.23Å; S197-E200 PolarHBondContact N-OE1 2.93Å; S197-E200 PolarHBondContact O-N 3.48Å; S197-E200 PolarHBondContact OG-OE1 3.5Å; S197-L201 PolarHBondContact O-N 3.17Å
198L90.7Very high92.3Very high1 Ų137.2 Ų37.21%0.00522%0.218CC..Hα-helixtrans-64.3-24.4174.7-77.1165.9000112.2W109 E200 L201 V202 I207 Y212 F215W109-L198 HydrophobicContact CB-CD1 3.83Å; W109-L198 HydrophobicContact CD2-CD1 3.63Å; W109-L198 HydrophobicContact CD2-CD2 3.96Å; W109-L198 HydrophobicContact CD2-CG 3.52Å; W109-L198 HydrophobicContact CE3-CD1 3.89Å; W109-L198 HydrophobicContact CE3-CD2 3.96Å; W109-L198 HydrophobicContact CE3-CG 3.98Å; W109-L198 HydrophobicContact CG-CD1 3.57Å; W109-L198 HydrophobicContact CG-CG 3.73Å; W109-L198 HydrophobicContact CH2-CD2 4.05Å; W109-L198 HydrophobicContact CZ2-CD2 3.95Å; W109-L198 HydrophobicContact CZ2-CG 4.14Å; W109-L198 HydrophobicContact CZ3-CD2 4.04Å; L198-E200 VanDerWaalsContact C-N 3.28Å; L198-E200 PolarHBondContact O-N 3.27Å; L198-L201 HydrophobicContact CD2-CD1 4.16Å; L198-L201 PolarHBondContact O-N 2.9Å; L198-V202 VanDerWaalsContact O-CG2 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.16Å; L198-I207 HydrophobicContact CD2-CG1 4.44Å; L198-I207 HydrophobicContact CD2-CG2 4.46Å; L198-Y212 HydrophobicContact CB-CD2 3.87Å; L198-F215 HydrophobicContact CD1-CB 3.48Å; L198-F215 VanDerWaalsContact CD1-CB 3.48Å; L198-F215 HydrophobicContact CD1-CD2 3.46Å; L198-F215 VanDerWaalsContact CD1-CD2 3.46Å; L198-F215 HydrophobicContact CD1-CE2 4.31Å; L198-F215 HydrophobicContact CD1-CG 3.61Å
199V89.5Confident92.2Very high80 Ų8039.3 Ų39.349%0.48524%0.236SC..Hα-helixtrans-58.8-43176.1-179.90000110.6S197 V202 A203 Y212S197-V199 PolarHBondContact O-N 3.23Å; V199-V202 PolarHBondContact O-N 3.29Å; V199-A203 WeakPolarHBondContact O-CB 3.5Å; V199-A203 PolarHBondContact O-N 2.88Å; V199-Y212 HydrophobicContact CG2-CE2 3.69Å
200E89.6Confident92Very high103 Ų10342.8 Ų42.848%0.48125%0.252SS..Hα-helixtrans-68.4-37.5177.6-68.8161.3-114.500112.2T196 S197 L198 A203 S204T196-E200 WeakPolarHBondContact CB-OE2 3.36Å; T196-E200 WeakPolarHBondContact CG2-OE2 3.4Å; S197-E200 PolarHBondContact N-OE1 2.93Å; S197-E200 PolarHBondContact O-N 3.48Å; S197-E200 PolarHBondContact OG-OE1 3.5Å; L198-E200 VanDerWaalsContact C-N 3.28Å; L198-E200 PolarHBondContact O-N 3.27Å; E200-A203 PolarHBondContact O-N 3.27Å; E200-S204 PolarHBondContact O-N 2.89Å; E200-S204 PolarHBondContact O-OG 3.4Å
201L88.9Confident91.8Very high17 Ų1742.8 Ų42.89%0.08925%0.252CS..Hα-helixtrans-69.3-35.3177.5-67.7176.2000112.7W109 S197 L198 S204 N205 H206 I207W109-L201 HydrophobicContact CH2-CD1 4.35Å; W109-L201 HydrophobicContact CZ2-CD1 4.02Å; S197-L201 PolarHBondContact O-N 3.17Å; L198-L201 HydrophobicContact CD2-CD1 4.16Å; L198-L201 PolarHBondContact O-N 2.9Å; L201-S204 WeakPolarHBondContact CA-OG 3.2Å; L201-S204 PolarHBondContact O-OG 3.41Å; L201-S204 VanDerWaalsContact O-OG 3.14Å; L201-N205 PolarHBondContact O-N 2.83Å; L201-H206 PolarHBondContact O-N 2.96Å; L201-I207 HydrophobicContact CB-CB 4.32Å; L201-I207 HydrophobicContact CB-CG1 3.77Å; L201-I207 HydrophobicContact CD1-CG1 4.34Å; L201-I207 PolarHBondContact O-N 3.43Å
202V89.9Confident91.6Very high45 Ų4545.7 Ų45.727%0.27326%0.264SS..Hα-helixtrans-69.6-43.9172.5173.90000110.7L198 V199 S204 N205 I207 Y212L198-V202 VanDerWaalsContact O-CG2 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.16Å; V199-V202 PolarHBondContact O-N 3.29Å; V202-S204 PolarHBondContact O-N 3.07Å; V202-N205 WeakPolarHBondContact O-CA 3.42Å; V202-N205 PolarHBondContact O-N 3.03Å; V202-I207 HydrophobicContact CG2-CB 4.18Å; V202-I207 HydrophobicContact CG2-CG2 4.12Å; V202-Y212 HydrophobicContact CG2-CD2 4.15Å; V202-Y212 HydrophobicContact CG2-CG 4.09Å
203A90.2Very high91.4Very high91 Ų9153.6 Ų53.675%0.75229%0.293SS*.Hα-helixtrans-61.1-31.5178.400000112.6V199 E200 N205V199-A203 WeakPolarHBondContact O-CB 3.5Å; V199-A203 PolarHBondContact O-N 2.88Å; E200-A203 PolarHBondContact O-N 3.27Å; A203-N205 VanDerWaalsContact C-N 3.3Å
204S89.4Confident91.2Very high59 Ų5954.8 Ų54.841%0.41330%0.302SS..THydrogen-bonded Turntrans-87.87.6174.454.30000114E200 L201 V202 H206E200-S204 PolarHBondContact O-N 2.89Å; E200-S204 PolarHBondContact O-OG 3.4Å; L201-S204 WeakPolarHBondContact CA-OG 3.2Å; L201-S204 PolarHBondContact O-OG 3.41Å; L201-S204 VanDerWaalsContact O-OG 3.14Å; V202-S204 PolarHBondContact O-N 3.07Å; S204-H206 VanDerWaalsContact CB-ND1 3.3Å; S204-H206 WeakPolarHBondContact CB-ND1 3.41Å; S204-H206 PolarHBondContact O-N 3.44Å; S204-H206 PolarHBondContact O-ND1 3.44Å; S204-H206 PolarHBondContact OG-ND1 2.79Å
205N88.2Confident91.2Very high109 Ų10954.9 Ų54.958%0.58330%0.301SS*.THydrogen-bonded Turntrans59.923.1176.1-164.242.2000114.7R171 L201 V202 A203R171-N205 PolarHBondContact NH2-ND2 3.27Å; R171-N205 VanDerWaalsContact NH2-ND2 3.13Å; R171-N205 PolarHBondContact NH2-OD1 3.05Å; L201-N205 PolarHBondContact O-N 2.83Å; V202-N205 WeakPolarHBondContact O-CA 3.42Å; V202-N205 PolarHBondContact O-N 3.03Å; A203-N205 VanDerWaalsContact C-N 3.3Å
206H90Very high91Very high97 Ų9752.7 Ų52.745%0.44929%0.294SS..SBendtrans-83.3-27.2173.9-66.7101.7000112.3E167 Q174 L201 S204E167-H206 HydrophobicContact CB-CB 3.76Å; Q174-H206 PolarHBondContact NE2-O 3.27Å; L201-H206 PolarHBondContact O-N 2.96Å; S204-H206 VanDerWaalsContact CB-ND1 3.3Å; S204-H206 WeakPolarHBondContact CB-ND1 3.41Å; S204-H206 PolarHBondContact O-N 3.44Å; S204-H206 PolarHBondContact O-ND1 3.44Å; S204-H206 PolarHBondContact OG-ND1 2.79Å
207I92.1Very high90.8Very high4 Ų458.8 Ų58.82%0.02132%0.321CS..SBendtrans-123.1135.4-178.4-62.4-65.8000110.4P166 L198 L201 V202 L211P166-I207 HydrophobicContact CB-CD1 3.89Å; P166-I207 HydrophobicContact CG-CD1 3.97Å; L198-I207 HydrophobicContact CD2-CG1 4.44Å; L198-I207 HydrophobicContact CD2-CG2 4.46Å; L201-I207 HydrophobicContact CB-CB 4.32Å; L201-I207 HydrophobicContact CB-CG1 3.77Å; L201-I207 HydrophobicContact CD1-CG1 4.34Å; L201-I207 PolarHBondContact O-N 3.43Å; V202-I207 HydrophobicContact CG2-CB 4.18Å; V202-I207 HydrophobicContact CG2-CG2 4.12Å; I207-L211 HydrophobicContact CD1-CD2 4.23Å; I207-L211 HydrophobicContact CG2-CB 4.05Å; I207-L211 HydrophobicContact CG2-CD2 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.24Å
208I93.5Very high90.9Very high14 Ų1458.6 Ų58.67%0.07232%0.319CS..  trans-70.8149.2174.567.8176.8000111.2R171 Q174 Y175 V178 E210 L211 Y212R171-I208 HydrophobicContact CB-CG2 4.3Å; R171-I208 HydrophobicContact CG-CG2 3.97Å; Q174-I208 HydrophobicContact CB-CD1 3.69Å; Q174-I208 HydrophobicContact CB-CG1 3.92Å; Y175-I208 HydrophobicContact CD1-CD1 3.72Å; Y175-I208 HydrophobicContact CD2-CD1 3.87Å; Y175-I208 HydrophobicContact CE1-CD1 3.83Å; Y175-I208 HydrophobicContact CE2-CD1 3.96Å; Y175-I208 HydrophobicContact CE2-CG2 4.49Å; Y175-I208 HydrophobicContact CG-CD1 3.73Å; V178-I208 HydrophobicContact CG2-CD1 4.47Å; I208-E210 VanDerWaalsContact C-N 3.26Å; I208-E210 HydrophobicContact CD1-CB 4.27Å; I208-E210 HydrophobicContact CG1-CB 4.45Å; I208-E210 PolarHBondContact O-N 2.97Å; I208-L211 HydrophobicContact CD1-CB 4.46Å; I208-L211 HydrophobicContact CG1-CB 3.76Å; I208-L211 PolarHBondContact O-N 2.97Å; I208-Y212 PolarHBondContact O-N 3.39Å
209A92.2Very high91.1Very high45 Ų4559.9 Ų59.937%0.37233%0.325SS..Hα-helixtrans-61.6-35.8-176.400000112.3L211 Y212 Y213A209-L211 VanDerWaalsContact C-N 3.32Å; A209-L211 PolarHBondContact O-N 3.12Å; A209-Y212 WeakPolarHBondContact O-CB 3.45Å; A209-Y212 PolarHBondContact O-N 3.08Å; A209-Y212 VanDerWaalsContact O-N 3.17Å; A209-Y213 HydrophobicContact CB-CE2 4.32Å; A209-Y213 WeakPolarHBondContact O-CD2 3.47Å; A209-Y213 PolarHBondContact O-N 2.96Å
210E92.8Very high91.4Very high73 Ų7356.3 Ų56.334%0.34130%0.303SS..Hα-helixtrans-62-39.3179.7-6189.5151.700111.7Y175 V178 I208 Y213 C214Y175-E210 HydrophobicContact CE1-CB 4.42Å; Y175-E210 VanDerWaalsContact CE1-CD 3.47Å; Y175-E210 HydrophobicContact CE1-CG 3.97Å; Y175-E210 WeakPolarHBondContact CE1-OE1 3.3Å; Y175-E210 PolarHBondContact OH-OE1 3.4Å; V178-E210 HydrophobicContact CG1-CB 4.1Å; V178-E210 HydrophobicContact CG2-CB 4.05Å; I208-E210 VanDerWaalsContact C-N 3.26Å; I208-E210 HydrophobicContact CD1-CB 4.27Å; I208-E210 HydrophobicContact CG1-CB 4.45Å; I208-E210 PolarHBondContact O-N 2.97Å; E210-Y213 PolarHBondContact O-N 2.84Å; E210-C214 PolarHBondContact O-N 3.43Å
211L92.6Very high91.7Very high4 Ų452.9 Ų52.92%0.02129%0.292CS..Hα-helixtrans-69.9-38.4175.5-176.259.5000111.1Q174 L177 V178 I207 I208 A209 Y213 C214 F215Q174-L211 HydrophobicContact CB-CD2 4.03Å; Q174-L211 HydrophobicContact CG-CD2 3.94Å; L177-L211 HydrophobicContact CB-CD1 4.49Å; V178-L211 HydrophobicContact CG2-CB 3.86Å; V178-L211 HydrophobicContact CG2-CD1 4.07Å; I207-L211 HydrophobicContact CD1-CD2 4.23Å; I207-L211 HydrophobicContact CG2-CB 4.05Å; I207-L211 HydrophobicContact CG2-CD2 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.24Å; I208-L211 HydrophobicContact CD1-CB 4.46Å; I208-L211 HydrophobicContact CG1-CB 3.76Å; I208-L211 PolarHBondContact O-N 2.97Å; A209-L211 VanDerWaalsContact C-N 3.32Å; A209-L211 PolarHBondContact O-N 3.12Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 2.96Å; L211-C214 WeakPolarHBondContact O-CB 3.35Å; L211-C214 PolarHBondContact O-N 2.98Å; L211-F215 HydrophobicContact CD1-CE2 3.84Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.28Å
212Y92.7Very high91.9Very high61 Ų6152.2 Ų52.224%0.23929%0.289CS..Hα-helixtrans-57.5-42.2172.1163-88.3000112.3L198 V199 V202 I208 A209 C214 F215 A216 Q219L198-Y212 HydrophobicContact CB-CD2 3.87Å; V199-Y212 HydrophobicContact CG2-CE2 3.69Å; V202-Y212 HydrophobicContact CG2-CD2 4.15Å; V202-Y212 HydrophobicContact CG2-CG 4.09Å; I208-Y212 PolarHBondContact O-N 3.39Å; A209-Y212 WeakPolarHBondContact O-CB 3.45Å; A209-Y212 PolarHBondContact O-N 3.08Å; A209-Y212 VanDerWaalsContact O-N 3.17Å; Y212-C214 PolarHBondContact O-N 3Å; Y212-F215 CarbonylContact O-C 3.56Å; Y212-F215 PolarHBondContact O-N 2.88Å; Y212-A216 HydrophobicContact CE1-CB 4.26Å; Y212-A216 PolarHBondContact O-N 3.25Å; Y212-A216 VanDerWaalsContact O-N 3.1Å; Y212-Q219 VanDerWaalsContact CE2-NE2 3.26Å
213Y92.5Very high92.1Very high168 Ų16852.4 Ų52.466%0.65929%0.288SS*.Hα-helixtrans-63.7-28-179.6-76.1-63.6000113.4A209 E210 L211 F215 A216A209-Y213 HydrophobicContact CB-CE2 4.32Å; A209-Y213 WeakPolarHBondContact O-CD2 3.47Å; A209-Y213 PolarHBondContact O-N 2.96Å; E210-Y213 PolarHBondContact O-N 2.84Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 2.96Å; Y213-F215 PolarHBondContact O-N 2.77Å; Y213-A216 HydrophobicContact CD1-CB 4.46Å; Y213-A216 PolarHBondContact O-N 3.48Å
214C92Very high92.3Very high34 Ų3449.8 Ų49.823%0.2326%0.264CS..Hα-helixtrans-59.1-27.5171.6-62.50000112.9A107 E210 L211 Y212A107-C214 HydrophobicContact CB-CB 4.46Å; E210-C214 PolarHBondContact O-N 3.43Å; L211-C214 WeakPolarHBondContact O-CB 3.35Å; L211-C214 PolarHBondContact O-N 2.98Å; Y212-C214 PolarHBondContact O-N 3Å
215F93.5Very high92.5Very high7 Ų747 Ų473%0.03124%0.244CC..Hα-helixtrans-111.50.9-176.7-58.2-81.3000114.1A107 V108 W109 L190 L198 L211 Y212 Y213 M217 T218 Q219A107-F215 HydrophobicContact CB-CD1 3.74Å; A107-F215 HydrophobicContact CB-CE1 3.52Å; A107-F215 HydrophobicContact CB-CZ 4.09Å; V108-F215 WeakPolarHBondContact O-CE1 3.46Å; W109-F215 HydrophobicContact CB-CB 4.08Å; W109-F215 HydrophobicContact CB-CD1 3.91Å; W109-F215 HydrophobicContact CB-CG 4.12Å; L190-F215 HydrophobicContact CD2-CE1 4.39Å; L190-F215 HydrophobicContact CD2-CE2 4.19Å; L190-F215 HydrophobicContact CD2-CZ 3.54Å; L190-F215 HydrophobicContact CG-CE1 4.28Å; L190-F215 HydrophobicContact CG-CZ 3.79Å; L198-F215 HydrophobicContact CD1-CB 3.48Å; L198-F215 VanDerWaalsContact CD1-CB 3.48Å; L198-F215 HydrophobicContact CD1-CD2 3.46Å; L198-F215 VanDerWaalsContact CD1-CD2 3.46Å; L198-F215 HydrophobicContact CD1-CE2 4.31Å; L198-F215 HydrophobicContact CD1-CG 3.61Å; L211-F215 HydrophobicContact CD1-CE2 3.84Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.28Å; Y212-F215 CarbonylContact O-C 3.56Å; Y212-F215 PolarHBondContact O-N 2.88Å; Y213-F215 PolarHBondContact O-N 2.77Å; F215-M217 PolarHBondContact O-N 2.7Å; F215-T218 WeakPolarHBondContact CA-OG1 3.15Å; F215-T218 PolarHBondContact O-N 3.27Å; F215-T218 PolarHBondContact O-OG1 3.06Å; F215-Q219 HydrophobicContact CB-CG 4.33Å; F215-Q219 WeakPolarHBondContact O-CG 3.3Å; F215-Q219 PolarHBondContact O-N 3.32Å
216A87.6Confident92.7Very high31 Ų3143.4 Ų43.426%0.25623%0.23SC..THydrogen-bonded Turntrans-52.3-39.8-165.300000113.9Y212 Y213Y212-A216 HydrophobicContact CE1-CB 4.26Å; Y212-A216 PolarHBondContact O-N 3.25Å; Y212-A216 VanDerWaalsContact O-N 3.1Å; Y213-A216 HydrophobicContact CD1-CB 4.46Å; Y213-A216 PolarHBondContact O-N 3.48Å
217M87.1Confident92.8Very high179 Ų17944.8 Ų44.888%0.88224%0.237SC*.THydrogen-bonded Turntrans-98.81.3-177.6-60.7-60.1163.400114F215F215-M217 PolarHBondContact O-N 2.7Å
218T94.3Very high92.9Very high8 Ų845.1 Ų45.15%0.04924%0.237CC..  trans-129.224.4-167.457.30000112.3L101 I106 A107 V108 W109 F215L101-T218 HydrophobicContact CD2-CG2 3.84Å; I106-T218 HydrophobicContact CD1-CG2 3.33Å; I106-T218 HydrophobicContact CG1-CG2 3.76Å; A107-T218 WeakPolarHBondContact O-CB 3.39Å; A107-T218 PolarHBondContact O-OG1 2.98Å; V108-T218 WeakPolarHBondContact CG1-O 3.24Å; W109-T218 PolarHBondContact N-O 3.2Å; F215-T218 WeakPolarHBondContact CA-OG1 3.15Å; F215-T218 PolarHBondContact O-N 3.27Å; F215-T218 PolarHBondContact O-OG1 3.06Å
219Q94.9Very high92.9Very high29 Ų2946.7 Ų46.714%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-84.5129171.7-45-166.733.200110.2W109 Y111 Y212 F215W109-Q219 HydrophobicContact CB-CB 4.32Å; W109-Q219 HydrophobicContact CB-CG 4.08Å; W109-Q219 CarbonylContact O-C 3.55Å; W109-Q219 WeakPolarHBondContact O-CA 3.26Å; Y111-Q219 HydrophobicContact CE1-CB 4.07Å; Y212-Q219 VanDerWaalsContact CE2-NE2 3.26Å; F215-Q219 HydrophobicContact CB-CG 4.33Å; F215-Q219 WeakPolarHBondContact O-CG 3.3Å; F215-Q219 PolarHBondContact O-N 3.32Å
220I95.6Very high92.9Very high5 Ų549.3 Ų49.33%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-126.5119179.2-52.3171000109.9Y94 R97 L98 L101 V108 W109 L110 Y111Y94-I220 HydrophobicContact CD2-CG2 3.39Å; Y94-I220 HydrophobicContact CE2-CB 4.31Å; Y94-I220 HydrophobicContact CE2-CG2 3.45Å; Y94-I220 VanDerWaalsContact CE2-CG2 3.45Å; R97-I220 HydrophobicContact CB-CD1 4.08Å; L98-I220 HydrophobicContact CD2-CD1 4.18Å; L101-I220 HydrophobicContact CD1-CD1 3.42Å; L101-I220 VanDerWaalsContact CD1-CD1 3.42Å; L101-I220 HydrophobicContact CD1-CG1 4.35Å; V108-I220 HydrophobicContact CG1-CD1 4.32Å; W109-I220 PolarHBondContact O-N 3.17Å; L110-I220 HydrophobicContact CD2-CB 3.88Å; L110-I220 HydrophobicContact CD2-CD1 3.97Å; L110-I220 HydrophobicContact CD2-CG1 4.32Å; Y111-I220 WeakPolarHBondContact CD1-O 3.28Å; Y111-I220 PolarHBondContact N-O 3.02Å
221A95.2Very high93Very high30 Ų3045.8 Ų45.825%0.24824%0.24CC..EExtended strand (participates in β ladder)trans-75.6122172.800000111W90 Y111W90-A221 WeakPolarHBondContact CZ2-O 3.18Å; W90-A221 PolarHBondContact NE1-O 3.1Å; Y111-A221 HydrophobicContact CE1-CB 4.04Å; Y111-A221 HydrophobicContact CE2-CB 3.97Å; Y111-A221 CarbonylContact O-C 3.48Å
222C94.5Very high93Very high3 Ų345.7 Ų45.72%0.0224%0.239CC..  trans-8998.2169.8-630000110W90 Y111 T116 R118W90-C222 HydrophobicContact CZ2-CB 4.4Å; Y111-C222 WeakPolarHBondContact O-CA 3.21Å; Y111-C222 WeakPolarHBondContact O-CB 3.41Å; Y111-C222 PolarHBondContact O-N 3.45Å; T116-C222 WeakPolarHBondContact OG1-CB 3.46Å; R118-C222 HydrophobicContact CG-CB 3.94Å
223L94.2Very high93Very high49 Ų4945.5 Ų45.526%0.25724%0.241SC..  trans-66.2138.2-174.8-68.3-174.5000112.3W90 R228W90-L223 HydrophobicContact CB-CD1 3.91Å; W90-L223 VanDerWaalsContact CD1-CG 3.44Å; W90-L223 HydrophobicContact CD2-CB 4.03Å; W90-L223 HydrophobicContact CD2-CD1 4.25Å; W90-L223 HydrophobicContact CD2-CG 4.13Å; W90-L223 HydrophobicContact CG-CB 4.18Å; W90-L223 HydrophobicContact CG-CD1 3.51Å; W90-L223 HydrophobicContact CG-CG 3.85Å; L223-R228 PolarHBondContact O-NE 3.12Å; L223-R228 PolarHBondContact O-NH2 3.33Å
224P94.1Very high93Very high37 Ų3738.5 Ų38.524%0.2422%0.216CC..  trans-54.9148.5170-24.634.3000112.2A113 A226 Q227 N270A113-P224 HydrophobicContact CB-CG 4.47Å; P224-A226 PolarHBondContact O-N 3.37Å; P224-Q227 PolarHBondContact O-N 3.34Å; P224-N270 WeakPolarHBondContact CA-OD1 3.28Å; P224-N270 WeakPolarHBondContact CB-OD1 3.47Å
225L93.3Very high93.1Very high0 Ų037.2 Ų37.20%021%0.207CC..G310 helixtrans-60.5-34.2-177.9-172.860.6000111.9Q227 R228 I232 L235 W267 N270 L274L225-Q227 PolarHBondContact O-N 3.13Å; L225-Q227 VanDerWaalsContact O-N 3.17Å; L225-R228 HydrophobicContact CD1-CG 4.21Å; L225-R228 CarbonylContact O-C 3.57Å; L225-R228 PolarHBondContact O-N 3.16Å; L225-I232 HydrophobicContact CD1-CG1 3.61Å; L225-I232 HydrophobicContact CD2-CG1 4.11Å; L225-I232 HydrophobicContact CG-CD1 4.15Å; L225-I232 HydrophobicContact CG-CG1 3.67Å; L225-L235 HydrophobicContact CD1-CD1 3.81Å; L225-W267 HydrophobicContact CB-CB 4.26Å; L225-W267 HydrophobicContact CD2-CB 3.86Å; L225-W267 HydrophobicContact CD2-CD2 4.27Å; L225-W267 HydrophobicContact CD2-CG 3.71Å; L225-W267 HydrophobicContact CG-CB 4.43Å; L225-W267 HydrophobicContact CG-CG 4.41Å; L225-N270 HydrophobicContact CB-CB 4.21Å; L225-N270 PolarHBondContact N-OD1 3.05Å; L225-L274 HydrophobicContact CD2-CB 3.98Å; L225-L274 HydrophobicContact CD2-CD2 3.88Å; L225-L274 HydrophobicContact CD2-CG 4.41Å
226A91.9Very high93.1Very high34 Ų3436.9 Ų36.928%0.28121%0.205SC..G310 helixtrans-55.1-29.6172.900000114.2P224 M266P224-A226 PolarHBondContact O-N 3.37Å; A226-M266 HydrophobicContact CB-CE 3.84Å; A226-M266 WeakPolarHBondContact CB-O 3.33Å; A226-M266 HydrophobicContact CB-SD 4.02Å
227Q92.8Very high93.3Very high126 Ų12640.2 Ų40.259%0.58921%0.211SC*.G310 helixtrans-91.5-1-178.7-62.5-178.76.500112.8P224 L225P224-Q227 PolarHBondContact O-N 3.34Å; L225-Q227 PolarHBondContact O-N 3.13Å; L225-Q227 VanDerWaalsContact O-N 3.17Å
228R93.6Very high93.5Very high10 Ų1035 Ų354%0.03818%0.184CC..  trans-136.161.4179.158.3-166176.8121-11.5111.2W90 T116 L223 L225 D230 D231W90-R228 VanDerWaalsContact CZ3-NH1 3.35Å; T116-R228 PolarHBondContact O-NH2 2.82Å; L223-R228 PolarHBondContact O-NE 3.12Å; L223-R228 PolarHBondContact O-NH2 3.33Å; L225-R228 HydrophobicContact CD1-CG 4.21Å; L225-R228 CarbonylContact O-C 3.57Å; L225-R228 PolarHBondContact O-N 3.16Å; R228-D230 PolarHBondContact O-N 2.89Å; R228-D230 VanDerWaalsContact O-N 3.14Å; R228-D231 VanDerWaalsContact CD-OD2 3.3Å; R228-D231 WeakPolarHBondContact CD-OD2 3.47Å; R228-D231 HydrophobicContact CG-CB 4.27Å; R228-D231 IonicContact NH1-OD2 3.74Å; R228-D231 PolarHBondContact NH1-OD2 3.28Å; R228-D231 WeakPolarHBondContact O-CB 3Å; R228-D231 PolarHBondContact O-N 3.28Å
229P92.6Very high93.3Very high47 Ų4737.6 Ų37.631%0.30519%0.194SC..G310 helixtrans-59.2-29-175.524.1-34.4000113.6D231 I232 M263P229-D231 PolarHBondContact O-N 2.84Å; P229-I232 HydrophobicContact CB-CD1 4.35Å; P229-I232 WeakPolarHBondContact O-CB 3.47Å; P229-I232 PolarHBondContact O-N 2.89Å; P229-M263 HydrophobicContact CB-CE 4.3Å
230D93Very high93.1Very high100 Ų10036.3 Ų36.354%0.53519%0.188SC..G310 helixtrans-63.5-18.6176.8-63-26.8000113.8R228 P234R228-D230 PolarHBondContact O-N 2.89Å; R228-D230 VanDerWaalsContact O-N 3.14Å; D230-P234 WeakPolarHBondContact O-CD 3.47Å
231D94.2Very high92.8Very high0 Ų038.3 Ų38.30%020%0.201CC..G310 helixtrans-85.9-19.4176.5-65-18.4000112.5G86 R87 S88 R228 P229 P234 L235G86-D231 VanDerWaalsContact C-OD1 3.31Å; G86-D231 WeakPolarHBondContact CA-OD1 3.39Å; R87-D231 PolarHBondContact N-OD1 3.09Å; S88-D231 VanDerWaalsContact CB-OD1 3.28Å; S88-D231 WeakPolarHBondContact CB-OD1 3.14Å; S88-D231 PolarHBondContact N-OD1 3.19Å; S88-D231 VanDerWaalsContact OG-CG 3.24Å; S88-D231 PolarHBondContact OG-OD1 3.4Å; S88-D231 VanDerWaalsContact OG-OD1 3.13Å; S88-D231 PolarHBondContact OG-OD2 3.27Å; R228-D231 VanDerWaalsContact CD-OD2 3.3Å; R228-D231 WeakPolarHBondContact CD-OD2 3.47Å; R228-D231 HydrophobicContact CG-CB 4.27Å; R228-D231 IonicContact NH1-OD2 3.74Å; R228-D231 PolarHBondContact NH1-OD2 3.28Å; R228-D231 WeakPolarHBondContact O-CB 3Å; R228-D231 PolarHBondContact O-N 3.28Å; P229-D231 PolarHBondContact O-N 2.84Å; D231-P234 WeakPolarHBondContact O-CD 3.34Å; D231-L235 HydrophobicContact CB-CD1 3.95Å; D231-L235 VanDerWaalsContact O-CB 3.26Å; D231-L235 WeakPolarHBondContact O-CB 3.46Å; D231-L235 WeakPolarHBondContact O-CD1 3.26Å; D231-L235 WeakPolarHBondContact O-CG 3.34Å; D231-L235 PolarHBondContact O-N 3.49Å
232I93.5Very high92.4Very high1 Ų142.8 Ų42.81%0.00522%0.215CC..Hα-helixtrans-63.5-49.8-171.9-67.2173.3000111.4L225 P229 L235 F236 M262 M263 L274L225-I232 HydrophobicContact CD1-CG1 3.61Å; L225-I232 HydrophobicContact CD2-CG1 4.11Å; L225-I232 HydrophobicContact CG-CD1 4.15Å; L225-I232 HydrophobicContact CG-CG1 3.67Å; P229-I232 HydrophobicContact CB-CD1 4.35Å; P229-I232 WeakPolarHBondContact O-CB 3.47Å; P229-I232 PolarHBondContact O-N 2.89Å; I232-L235 PolarHBondContact O-N 3.23Å; I232-F236 VanDerWaalsContact O-CB 3.26Å; I232-F236 WeakPolarHBondContact O-CB 3.22Å; I232-F236 PolarHBondContact O-N 3.09Å; I232-M262 HydrophobicContact CG2-CB 4.21Å; I232-M263 HydrophobicContact CB-CG 4.33Å; I232-M263 HydrophobicContact CG2-CG 4.43Å; I232-L274 HydrophobicContact CG2-CD1 4.06Å; I232-L274 HydrophobicContact CG2-CD2 4.33Å
233E93Very high92Very high58 Ų5842.7 Ų42.727%0.27122%0.215SC..Hα-helixtrans-62.5-52.3-179.7169.5-179.2-161.300112L235 F236 R237 L259E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 2.86Å; E233-F236 PolarHBondContact O-N 2.87Å; E233-R237 HydrophobicContact CG-CG 4.36Å; E233-R237 WeakPolarHBondContact O-CB 3.38Å; E233-R237 WeakPolarHBondContact O-CG 3.44Å; E233-R237 PolarHBondContact O-N 3.47Å; E233-R237 IonicContact OE1-CZ 2.92Å; E233-R237 VanDerWaalsContact OE1-CZ 3.28Å; E233-R237 IonicContact OE1-NE 3.77Å; E233-R237 PolarHBondContact OE1-NE 3.16Å; E233-R237 IonicContact OE1-NH2 3.67Å; E233-R237 PolarHBondContact OE1-NH2 2.79Å; E233-L259 HydrophobicContact CB-CD2 4.19Å; E233-L259 HydrophobicContact CG-CD1 4.3Å; E233-L259 HydrophobicContact CG-CD2 4.05Å
234P93Very high91.7Very high20 Ų2040.4 Ų40.413%0.1320%0.203CC..Hα-helixtrans-55.9-43.4176.3-27.534.6000113.5I85 R87 D230 D231 H238I85-P234 HydrophobicContact CG2-CB 3.76Å; R87-P234 HydrophobicContact CG-CG 4.07Å; D230-P234 WeakPolarHBondContact O-CD 3.47Å; D231-P234 WeakPolarHBondContact O-CD 3.34Å; P234-H238 WeakPolarHBondContact O-CB 3.42Å; P234-H238 PolarHBondContact O-N 3.13Å; P234-H238 VanDerWaalsContact O-N 3.1Å
235L93.2Very high91.4Very high8 Ų845.1 Ų45.14%0.04222%0.222CC..Hα-helixtrans-64.4-48.6178.3-77165.6000111.3I85 L225 D231 I232 E233 R237 H238 Y239 V271 L274I85-L235 HydrophobicContact CB-CD2 3.8Å; I85-L235 HydrophobicContact CB-CG 4.4Å; I85-L235 HydrophobicContact CG2-CD2 4.3Å; I85-L235 HydrophobicContact CG2-CG 4.41Å; L225-L235 HydrophobicContact CD1-CD1 3.81Å; D231-L235 HydrophobicContact CB-CD1 3.95Å; D231-L235 VanDerWaalsContact O-CB 3.26Å; D231-L235 WeakPolarHBondContact O-CB 3.46Å; D231-L235 WeakPolarHBondContact O-CD1 3.26Å; D231-L235 WeakPolarHBondContact O-CG 3.34Å; D231-L235 PolarHBondContact O-N 3.49Å; I232-L235 PolarHBondContact O-N 3.23Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 2.86Å; L235-R237 PolarHBondContact O-N 3.37Å; L235-H238 WeakPolarHBondContact O-CB 3.36Å; L235-H238 PolarHBondContact O-N 2.66Å; L235-Y239 HydrophobicContact CD2-CE2 4.09Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 2.89Å; L235-V271 HydrophobicContact CD1-CG1 4.44Å; L235-V271 HydrophobicContact CD1-CG2 4.06Å; L235-V271 HydrophobicContact CD2-CG1 3.99Å; L235-L274 HydrophobicContact CB-CD2 3.46Å; L235-L274 VanDerWaalsContact CB-CD2 3.46Å; L235-L274 HydrophobicContact CD1-CD2 4.33Å
236F92.7Very high90.8Very high0 Ų052.2 Ų52.20%025%0.249CC..Hα-helixtrans-60.3-48.2-179.1-179.6-108.1000111.6I232 E233 H238 Y239 L240 V254 M262 L274 A278 F281I232-F236 VanDerWaalsContact O-CB 3.26Å; I232-F236 WeakPolarHBondContact O-CB 3.22Å; I232-F236 PolarHBondContact O-N 3.09Å; E233-F236 PolarHBondContact O-N 2.87Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.88Å; F236-Y239 PolarHBondContact O-N 3.49Å; F236-L240 HydrophobicContact CE1-CD2 4.21Å; F236-L240 WeakPolarHBondContact O-CB 3.35Å; F236-L240 PolarHBondContact O-N 2.97Å; F236-V254 HydrophobicContact CD1-CG1 4.38Å; F236-V254 HydrophobicContact CD1-CG2 4.44Å; F236-V254 HydrophobicContact CE1-CG1 3.87Å; F236-V254 HydrophobicContact CE1-CG2 3.87Å; F236-M262 HydrophobicContact CB-CE 3.94Å; F236-M262 HydrophobicContact CD1-CE 3.92Å; F236-M262 HydrophobicContact CD1-SD 4.16Å; F236-M262 HydrophobicContact CD2-CE 3.1Å; F236-M262 HydrophobicContact CD2-SD 4.25Å; F236-M262 HydrophobicContact CE1-CE 4.18Å; F236-M262 HydrophobicContact CE1-SD 4.1Å; F236-M262 HydrophobicContact CE2-CE 3.39Å; F236-M262 HydrophobicContact CE2-SD 4.16Å; F236-M262 HydrophobicContact CG-CE 3.38Å; F236-M262 HydrophobicContact CG-SD 4.22Å; F236-M262 HydrophobicContact CZ-CE 3.93Å; F236-M262 HydrophobicContact CZ-SD 4.09Å; F236-L274 HydrophobicContact CB-CD1 4.1Å; F236-L274 HydrophobicContact CB-CD2 4.29Å; F236-L274 HydrophobicContact CB-CG 4.25Å; F236-L274 HydrophobicContact CD2-CD1 4.01Å; F236-L274 HydrophobicContact CD2-CG 4.41Å; F236-L274 HydrophobicContact CG-CD1 4.48Å; F236-A278 HydrophobicContact CD2-CB 3.77Å; F236-A278 VanDerWaalsContact CE2-CA 3.48Å; F236-A278 HydrophobicContact CE2-CB 3.73Å; F236-F281 HydrophobicContact CE2-CB 4.43Å; F236-F281 HydrophobicContact CZ-CB 3.93Å; F236-F281 HydrophobicContact CZ-CD1 4.45Å; F236-F281 AromaticContact CZ-CD2 3.85Å; F236-F281 HydrophobicContact CZ-CD2 3.85Å; F236-F281 AromaticContact CZ-CG 3.83Å; F236-F281 HydrophobicContact CZ-CG 3.83Å
237R92Very high90.5Very high101 Ų10153.7 Ų53.738%0.38125%0.251SS..Hα-helixtrans-59.6-38.7177.7-71.5-176.6-177.8-76.42.1112E233 L235 C241E233-R237 HydrophobicContact CG-CG 4.36Å; E233-R237 WeakPolarHBondContact O-CB 3.38Å; E233-R237 WeakPolarHBondContact O-CG 3.44Å; E233-R237 PolarHBondContact O-N 3.47Å; E233-R237 IonicContact OE1-CZ 2.92Å; E233-R237 VanDerWaalsContact OE1-CZ 3.28Å; E233-R237 IonicContact OE1-NE 3.77Å; E233-R237 PolarHBondContact OE1-NE 3.16Å; E233-R237 IonicContact OE1-NH2 3.67Å; E233-R237 PolarHBondContact OE1-NH2 2.79Å; L235-R237 PolarHBondContact O-N 3.37Å; R237-C241 WeakPolarHBondContact O-CB 3.41Å; R237-C241 PolarHBondContact O-N 3.14Å
238H91.5Very high90.1Very high68 Ų6854.9 Ų54.932%0.31526%0.262SS..Hα-helixtrans-64.1-52.3176.2174.184.7000112.3I85 P234 L235 F236 L240 C241 K242I85-H238 HydrophobicContact CD1-CB 3.43Å; I85-H238 VanDerWaalsContact CD1-CB 3.43Å; I85-H238 WeakPolarHBondContact CD1-CD2 3.21Å; I85-H238 WeakPolarHBondContact CD1-ND1 3.45Å; P234-H238 WeakPolarHBondContact O-CB 3.42Å; P234-H238 PolarHBondContact O-N 3.13Å; P234-H238 VanDerWaalsContact O-N 3.1Å; L235-H238 WeakPolarHBondContact O-CB 3.36Å; L235-H238 PolarHBondContact O-N 2.66Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.88Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.16Å; H238-C241 PolarHBondContact O-N 3.07Å; H238-K242 WeakPolarHBondContact O-CB 3.47Å; H238-K242 PolarHBondContact O-N 3.17Å
239Y90.1Very high89.5Confident64 Ų6459 Ų5925%0.25128%0.281SS..Hα-helixtrans-64.5-34.6179.5-74.4-68000112L235 F236 K242 A243 V271 A275L235-Y239 HydrophobicContact CD2-CE2 4.09Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 2.89Å; F236-Y239 PolarHBondContact O-N 3.49Å; Y239-K242 PolarHBondContact O-N 3Å; Y239-A243 VanDerWaalsContact O-CB 3.28Å; Y239-A243 WeakPolarHBondContact O-CB 3.11Å; Y239-A243 PolarHBondContact O-N 2.71Å; Y239-V271 HydrophobicContact CE2-CG1 3.47Å; Y239-V271 VanDerWaalsContact CE2-CG1 3.47Å; Y239-V271 WeakPolarHBondContact OH-CG1 3.36Å; Y239-A275 HydrophobicContact CD1-CB 3.55Å; Y239-A275 HydrophobicContact CD2-CB 3.84Å; Y239-A275 HydrophobicContact CE1-CB 3.73Å; Y239-A275 HydrophobicContact CE2-CB 4.03Å; Y239-A275 HydrophobicContact CG-CB 3.62Å
240L90.3Very high89.1Confident2 Ų262 Ų621%0.0130%0.301CS..Hα-helixtrans-62-48.9174.4177.362.8000110.9F236 H238 K242 A243 C244 V251 P252 V254 A278 F281 T282F236-L240 HydrophobicContact CE1-CD2 4.21Å; F236-L240 WeakPolarHBondContact O-CB 3.35Å; F236-L240 PolarHBondContact O-N 2.97Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.16Å; L240-K242 VanDerWaalsContact C-N 3.33Å; L240-K242 PolarHBondContact O-N 2.79Å; L240-A243 PolarHBondContact O-N 3.44Å; L240-C244 WeakPolarHBondContact O-CB 3.43Å; L240-C244 PolarHBondContact O-N 3.27Å; L240-C244 PolarHBondContact O-SG 3.19Å; L240-V251 HydrophobicContact CD2-CG1 4.13Å; L240-V251 HydrophobicContact CG-CG1 4.26Å; L240-P252 HydrophobicContact CD1-CG 4.05Å; L240-P252 HydrophobicContact CD2-CG 4.3Å; L240-V254 HydrophobicContact CD2-CG2 3.57Å; L240-A278 HydrophobicContact CB-CB 4.21Å; L240-F281 HydrophobicContact CD1-CB 4.29Å; L240-F281 HydrophobicContact CD1-CD1 3.62Å; L240-F281 HydrophobicContact CD1-CE1 4.5Å; L240-F281 HydrophobicContact CD1-CG 4.33Å; L240-F281 HydrophobicContact CD2-CD1 4.12Å; L240-F281 HydrophobicContact CD2-CE1 4.31Å; L240-T282 WeakPolarHBondContact CD1-OG1 3.49Å
241C89.6Confident88.7Confident46 Ų4661 Ų6131%0.31130%0.298SS..Hα-helixtrans-59.3-45.1176.3-173.60000111.5R237 H238 A243 C244 Q245R237-C241 WeakPolarHBondContact O-CB 3.41Å; R237-C241 PolarHBondContact O-N 3.14Å; H238-C241 PolarHBondContact O-N 3.07Å; C241-A243 PolarHBondContact O-N 3.08Å; C241-C244 PolarHBondContact O-N 2.8Å; C241-Q245 WeakPolarHBondContact O-CB 3.32Å; C241-Q245 VanDerWaalsContact O-CG 3.29Å; C241-Q245 WeakPolarHBondContact O-CG 3.36Å; C241-Q245 PolarHBondContact O-N 2.85Å
242K87Confident88.2Confident124 Ų12463.1 Ų63.154%0.53931%0.312SS..Hα-helixtrans-62.2-41.3177.6-171.3177.5-178176.60112.4H238 Y239 L240 R246H238-K242 WeakPolarHBondContact O-CB 3.47Å; H238-K242 PolarHBondContact O-N 3.17Å; Y239-K242 PolarHBondContact O-N 3Å; L240-K242 VanDerWaalsContact C-N 3.33Å; L240-K242 PolarHBondContact O-N 2.79Å; K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 PolarHBondContact O-N 3.36Å; K242-R246 VanDerWaalsContact O-N 3.07Å
243A86.2Confident87.8Confident1 Ų171.3 Ų71.31%0.00835%0.35CS..Hα-helixtrans-66.6-46.2176.700000111.6Y239 L240 C241 Q245 R246 L247 E279 T282Y239-A243 VanDerWaalsContact O-CB 3.28Å; Y239-A243 WeakPolarHBondContact O-CB 3.11Å; Y239-A243 PolarHBondContact O-N 2.71Å; L240-A243 PolarHBondContact O-N 3.44Å; C241-A243 PolarHBondContact O-N 3.08Å; A243-Q245 PolarHBondContact O-N 3.45Å; A243-R246 PolarHBondContact O-N 2.99Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 WeakPolarHBondContact O-CG 3.43Å; A243-L247 PolarHBondContact O-N 3.22Å; A243-E279 HydrophobicContact CB-CB 4.4Å; A243-E279 HydrophobicContact CB-CG 3.92Å; A243-T282 WeakPolarHBondContact CB-OG1 3.44Å
244C88.7Confident87.3Confident2 Ų269 Ų691%0.01434%0.34CS..Hα-helixtrans-58.5-43.7174.9-74.50000112.3L240 C241 L247 N248 H249 V251 T282L240-C244 WeakPolarHBondContact O-CB 3.43Å; L240-C244 PolarHBondContact O-N 3.27Å; L240-C244 PolarHBondContact O-SG 3.19Å; C241-C244 PolarHBondContact O-N 2.8Å; C244-L247 CarbonylContact O-C 3.57Å; C244-L247 PolarHBondContact O-N 3.47Å; C244-N248 WeakPolarHBondContact O-CA 3.21Å; C244-N248 PolarHBondContact O-N 2.97Å; C244-H249 WeakPolarHBondContact CB-O 3.16Å; C244-H249 PolarHBondContact O-N 2.55Å; C244-V251 HydrophobicContact CB-CG2 3.85Å; C244-T282 HydrophobicContact CB-CG2 4.46Å
245Q86.7Confident87Confident135 Ų13570.1 Ų70.163%0.63136%0.356SS*.Hα-helixtrans-61.4-44.2174.8-75.2174.6-6.900112.1C241 A243 L247 N248C241-Q245 WeakPolarHBondContact O-CB 3.32Å; C241-Q245 VanDerWaalsContact O-CG 3.29Å; C241-Q245 WeakPolarHBondContact O-CG 3.36Å; C241-Q245 PolarHBondContact O-N 2.85Å; A243-Q245 PolarHBondContact O-N 3.45Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.94Å; Q245-N248 PolarHBondContact O-N 2.97Å
246R81.2Confident86.7Confident150 Ų15077.9 Ų77.957%0.56639%0.389SS*.Hα-helixtrans-65.8-33.7178.8-178.1166.763.896.2-7.7112.8K242 A243 E279K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 PolarHBondContact O-N 3.36Å; K242-R246 VanDerWaalsContact O-N 3.07Å; A243-R246 PolarHBondContact O-N 2.99Å; R246-E279 IonicContact CZ-OE1 2.8Å; R246-E279 IonicContact NH2-OE1 3.4Å; R246-E279 PolarHBondContact NH2-OE1 3.4Å; R246-E279 IonicContact NH2-OE2 2.74Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å
247L86Confident86.4Confident64 Ų6484 Ų8434%0.33542%0.417SS..Hα-helixtrans-97.51.7-177.6-62.1173.8000113.6A243 C244 Q245 H249 T282 V283A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 WeakPolarHBondContact O-CG 3.43Å; A243-L247 PolarHBondContact O-N 3.22Å; C244-L247 CarbonylContact O-C 3.57Å; C244-L247 PolarHBondContact O-N 3.47Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.94Å; L247-H249 PolarHBondContact O-N 3.25Å; L247-T282 HydrophobicContact CB-CG2 4.47Å; L247-T282 HydrophobicContact CD1-CG2 3.72Å; L247-V283 HydrophobicContact CD1-CG1 3.88Å
248N84.1Confident86Confident151 Ų15181 Ų8181%0.80741%0.408SS*.THydrogen-bonded Turntrans52.337.6-173.6-66.5-41.4000113.9C244 Q245C244-N248 WeakPolarHBondContact O-CA 3.21Å; C244-N248 PolarHBondContact O-N 2.97Å; Q245-N248 PolarHBondContact O-N 2.97Å
249H81.4Confident85.9Confident97 Ų9778.3 Ų78.345%0.44940%0.396SS..  trans-99.7147.6174.4-76.3-59.3000111.3C244 L247 T282C244-H249 WeakPolarHBondContact CB-O 3.16Å; C244-H249 PolarHBondContact O-N 2.55Å; L247-H249 PolarHBondContact O-N 3.25Å; H249-T282 HydrophobicContact CB-CG2 4Å
250P82.6Confident85.8Confident110 Ų11080 Ų8071%0.71441%0.405SS*.  trans-61.7147.2167.328.6-34000109.4P252P250-P252 WeakPolarHBondContact O-CD 3.4Å
251V85.5Confident85.6Confident78 Ų7883.9 Ų83.947%0.47342%0.423SS..  trans-72.3115176.8-179.40000108.5L240 C244L240-V251 HydrophobicContact CD2-CG1 4.13Å; L240-V251 HydrophobicContact CG-CG1 4.26Å; C244-V251 HydrophobicContact CB-CG2 3.85Å
252P84.1Confident85.5Confident46 Ų4682.1 Ų82.130%0.29941%0.41SS..  trans-68.4149.1177.827.4-35.5000112.1L240 P250 F281L240-P252 HydrophobicContact CD1-CG 4.05Å; L240-P252 HydrophobicContact CD2-CG 4.3Å; P250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-F281 HydrophobicContact CB-CD1 4.38Å; P252-F281 HydrophobicContact CB-CE1 3.68Å; P252-F281 HydrophobicContact CG-CD1 3.53Å; P252-F281 HydrophobicContact CG-CE1 3.28Å; P252-F281 HydrophobicContact CG-CZ 4.5Å
253E83.8Confident85.6Confident172 Ų17279.3 Ų79.380%0.80440%0.4SS*.  trans-69131.2173.3-77.3-62.5150.800110.9
254V84.5Confident85.6Confident9 Ų989.1 Ų89.16%0.05544%0.436CS..  trans-99.2112.6179.8-169.30000109F236 L240 M258 L259 F281F236-V254 HydrophobicContact CD1-CG1 4.38Å; F236-V254 HydrophobicContact CD1-CG2 4.44Å; F236-V254 HydrophobicContact CE1-CG1 3.87Å; F236-V254 HydrophobicContact CE1-CG2 3.87Å; L240-V254 HydrophobicContact CD2-CG2 3.57Å; V254-M258 HydrophobicContact CG1-SD 4.46Å; V254-L259 HydrophobicContact CG1-CD1 4.34Å; V254-L259 HydrophobicContact CG1-CD2 3.69Å; V254-L259 HydrophobicContact CG1-CG 3.77Å; V254-F281 HydrophobicContact CG2-CE1 4.34Å
255G85Confident85.5Confident45 Ų4591.4 Ų91.446%0.46445%0.445SS..  trans-62.9142.6-18000000113E257 M258 L259G255-E257 VanDerWaalsContact C-N 3.28Å; G255-E257 PolarHBondContact O-N 3.4Å; G255-M258 PolarHBondContact O-N 3.07Å; G255-L259 PolarHBondContact O-N 3.27Å; G255-L259 VanDerWaalsContact O-N 3.15Å
256K88.1Confident85.5Confident170 Ų17091.5 Ų91.574%0.73945%0.447SS*.Hα-helixtrans-58.5-36.5180-67.3-176.8179.6179.30113.4L259 K260K256-L259 PolarHBondContact O-N 3.09Å; K256-K260 WeakPolarHBondContact O-CG 3.43Å; K256-K260 PolarHBondContact O-N 2.83Å; K256-K260 VanDerWaalsContact O-N 3.08Å
257E85.4Confident85.9Confident129 Ų12984.6 Ų84.660%0.60342%0.421SS*.Hα-helixtrans-68.5-38.4179.2-65.6-51.6123.200112.1G255 K260 E261G255-E257 VanDerWaalsContact C-N 3.28Å; G255-E257 PolarHBondContact O-N 3.4Å; E257-K260 WeakPolarHBondContact O-CB 3.26Å; E257-K260 PolarHBondContact O-N 3.46Å; E257-K260 IonicContact OE1-NZ 3.93Å; E257-K260 PolarHBondContact OE1-NZ 2.86Å; E257-K260 IonicContact OE2-NZ 3.49Å; E257-E261 PolarHBondContact O-N 3.44Å
258M85.1Confident85.8Confident38 Ų3883.3 Ų83.319%0.18742%0.416CS..Hα-helixtrans-63.7-42.9173.9-179.2177.2-72.300111.5V254 G255 K260 E261 M262 F281 L286V254-M258 HydrophobicContact CG1-SD 4.46Å; G255-M258 PolarHBondContact O-N 3.07Å; M258-K260 VanDerWaalsContact C-N 3.3Å; M258-K260 PolarHBondContact O-N 3.12Å; M258-E261 WeakPolarHBondContact O-CB 3.28Å; M258-E261 PolarHBondContact O-N 3.31Å; M258-E261 VanDerWaalsContact O-N 3.16Å; M258-M262 HydrophobicContact CG-CG 4.25Å; M258-M262 HydrophobicContact CG-SD 4.03Å; M258-M262 WeakPolarHBondContact O-CB 3.46Å; M258-M262 VanDerWaalsContact O-CG 3.25Å; M258-M262 WeakPolarHBondContact O-CG 3.21Å; M258-M262 PolarHBondContact O-N 3Å; M258-F281 HydrophobicContact CE-CD2 4.43Å; M258-F281 HydrophobicContact CE-CE2 3.75Å; M258-F281 HydrophobicContact SD-CD2 3.78Å; M258-F281 HydrophobicContact SD-CE2 3.26Å; M258-F281 WeakPolarHBondContact SD-CE2 3.46Å; M258-F281 HydrophobicContact SD-CZ 4.24Å; M258-L286 HydrophobicContact CE-CD1 4.26Å; M258-L286 HydrophobicContact SD-CD2 4.46Å
259L87.5Confident85.9Confident11 Ų1179.3 Ų79.36%0.05840%0.395CS..Hα-helixtrans-59.2-43.1175.6-69.6171000111.5E233 V254 G255 K256 E261 M262 M263E233-L259 HydrophobicContact CB-CD2 4.19Å; E233-L259 HydrophobicContact CG-CD1 4.3Å; E233-L259 HydrophobicContact CG-CD2 4.05Å; V254-L259 HydrophobicContact CG1-CD1 4.34Å; V254-L259 HydrophobicContact CG1-CD2 3.69Å; V254-L259 HydrophobicContact CG1-CG 3.77Å; G255-L259 PolarHBondContact O-N 3.27Å; G255-L259 VanDerWaalsContact O-N 3.15Å; K256-L259 PolarHBondContact O-N 3.09Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.37Å; L259-M262 PolarHBondContact O-N 3.37Å; L259-M263 WeakPolarHBondContact O-CB 3.26Å; L259-M263 WeakPolarHBondContact O-CG 3.35Å; L259-M263 PolarHBondContact O-N 3.26Å
260K88Confident86.5Confident99 Ų9974.9 Ų74.943%0.4338%0.375SS..Hα-helixtrans-61-41175.3-71.6174.1-175.4168.10112.2K256 E257 M258 M263 R264K256-K260 WeakPolarHBondContact O-CG 3.43Å; K256-K260 PolarHBondContact O-N 2.83Å; K256-K260 VanDerWaalsContact O-N 3.08Å; E257-K260 WeakPolarHBondContact O-CB 3.26Å; E257-K260 PolarHBondContact O-N 3.46Å; E257-K260 IonicContact OE1-NZ 3.93Å; E257-K260 PolarHBondContact OE1-NZ 2.86Å; E257-K260 IonicContact OE2-NZ 3.49Å; M258-K260 VanDerWaalsContact C-N 3.3Å; M258-K260 PolarHBondContact O-N 3.12Å; K260-M263 PolarHBondContact O-N 3.36Å; K260-R264 WeakPolarHBondContact O-CG 3.37Å; K260-R264 PolarHBondContact O-N 2.88Å
261E86.9Confident86.9Confident85 Ų8570.3 Ų70.340%0.39735%0.345SS..Hα-helixtrans-64.9-46.9176.6-172.7176.4179.200111.2E257 M258 L259 M263 R264 R265E257-E261 PolarHBondContact O-N 3.44Å; M258-E261 WeakPolarHBondContact O-CB 3.28Å; M258-E261 PolarHBondContact O-N 3.31Å; M258-E261 VanDerWaalsContact O-N 3.16Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.37Å; E261-M263 VanDerWaalsContact C-N 3.3Å; E261-M263 PolarHBondContact O-N 3.48Å; E261-R264 PolarHBondContact O-N 3.32Å; E261-R265 PolarHBondContact O-N 3.32Å
262M87.8Confident87Confident8 Ų875.3 Ų75.34%0.03936%0.355CS..Hα-helixtrans-59.1-39.8175.9-70.9178.873.700112.5I232 F236 M258 L259 R264 R265 W267 L274I232-M262 HydrophobicContact CG2-CB 4.21Å; F236-M262 HydrophobicContact CB-CE 3.94Å; F236-M262 HydrophobicContact CD1-CE 3.92Å; F236-M262 HydrophobicContact CD1-SD 4.16Å; F236-M262 HydrophobicContact CD2-CE 3.1Å; F236-M262 HydrophobicContact CD2-SD 4.25Å; F236-M262 HydrophobicContact CE1-CE 4.18Å; F236-M262 HydrophobicContact CE1-SD 4.1Å; F236-M262 HydrophobicContact CE2-CE 3.39Å; F236-M262 HydrophobicContact CE2-SD 4.16Å; F236-M262 HydrophobicContact CG-CE 3.38Å; F236-M262 HydrophobicContact CG-SD 4.22Å; F236-M262 HydrophobicContact CZ-CE 3.93Å; F236-M262 HydrophobicContact CZ-SD 4.09Å; M258-M262 HydrophobicContact CG-CG 4.25Å; M258-M262 HydrophobicContact CG-SD 4.03Å; M258-M262 WeakPolarHBondContact O-CB 3.46Å; M258-M262 VanDerWaalsContact O-CG 3.25Å; M258-M262 WeakPolarHBondContact O-CG 3.21Å; M258-M262 PolarHBondContact O-N 3Å; L259-M262 PolarHBondContact O-N 3.37Å; M262-R264 PolarHBondContact O-N 3.3Å; M262-R265 PolarHBondContact O-N 3.06Å; M262-W267 HydrophobicContact CB-CZ2 4.02Å; M262-W267 HydrophobicContact CE-CH2 3.93Å; M262-W267 HydrophobicContact CE-CZ2 3.82Å; M262-W267 HydrophobicContact CG-CZ2 4.12Å; M262-W267 PolarHBondContact O-NE1 2.95Å; M262-L274 HydrophobicContact CE-CD1 3.47Å; M262-L274 VanDerWaalsContact CE-CD1 3.47Å
263M88.8Confident87.3Confident66 Ų6673.8 Ų73.833%0.32534%0.344SS..Hα-helixtrans-66.8-21.7177.4-72.3173.979.700113.5P229 I232 L259 K260 E261P229-M263 HydrophobicContact CB-CE 4.3Å; I232-M263 HydrophobicContact CB-CG 4.33Å; I232-M263 HydrophobicContact CG2-CG 4.43Å; L259-M263 WeakPolarHBondContact O-CB 3.26Å; L259-M263 WeakPolarHBondContact O-CG 3.35Å; L259-M263 PolarHBondContact O-N 3.26Å; K260-M263 PolarHBondContact O-N 3.36Å; E261-M263 VanDerWaalsContact C-N 3.3Å; E261-M263 PolarHBondContact O-N 3.48Å
264R87.5Confident87.7Confident206 Ų20665.6 Ų65.678%0.77731%0.306SS*.Hα-helixtrans-91-15177.8-69171.8-177.2175.91.1113.5K260 E261 M262K260-R264 WeakPolarHBondContact O-CG 3.37Å; K260-R264 PolarHBondContact O-N 2.88Å; E261-R264 PolarHBondContact O-N 3.32Å; M262-R264 PolarHBondContact O-N 3.3Å
265R86.4Confident87.9Confident51 Ų5165.8 Ų65.819%0.19231%0.308CS..SBendtrans-72.2149.3178.8-71.8179.873.51622.2110.7E261 M262 W267 P287 A289 T291E261-R265 PolarHBondContact O-N 3.32Å; M262-R265 PolarHBondContact O-N 3.06Å; R265-W267 HydrophobicContact CB-CZ2 4.44Å; R265-P287 PolarHBondContact NH1-O 3.4Å; R265-A289 PolarHBondContact NH2-O 3.33Å; R265-T291 PolarHBondContact NH2-OG1 3.27Å
266M86Confident88Confident136 Ų13667.8 Ų67.867%0.6731%0.308SS*.  trans-75.6-27.9-179.7-71-62.1-6300113.8A226A226-M266 HydrophobicContact CB-CE 3.84Å; A226-M266 WeakPolarHBondContact CB-O 3.33Å; A226-M266 HydrophobicContact CB-SD 4.02Å
267W88.6Confident88.1Confident5 Ų560.5 Ų60.52%0.01928%0.28CS..  trans4967.9-174.8-57.499000112.6L225 M262 R265 N269 N270 E273 L274 A277L225-W267 HydrophobicContact CB-CB 4.26Å; L225-W267 HydrophobicContact CD2-CB 3.86Å; L225-W267 HydrophobicContact CD2-CD2 4.27Å; L225-W267 HydrophobicContact CD2-CG 3.71Å; L225-W267 HydrophobicContact CG-CB 4.43Å; L225-W267 HydrophobicContact CG-CG 4.41Å; M262-W267 HydrophobicContact CB-CZ2 4.02Å; M262-W267 HydrophobicContact CE-CH2 3.93Å; M262-W267 HydrophobicContact CE-CZ2 3.82Å; M262-W267 HydrophobicContact CG-CZ2 4.12Å; M262-W267 PolarHBondContact O-NE1 2.95Å; R265-W267 HydrophobicContact CB-CZ2 4.44Å; W267-N269 PolarHBondContact O-N 2.74Å; W267-N269 VanDerWaalsContact O-N 3.09Å; W267-N270 WeakPolarHBondContact O-CA 3.37Å; W267-N270 PolarHBondContact O-N 2.96Å; W267-E273 VanDerWaalsContact CA-OE2 3.22Å; W267-E273 WeakPolarHBondContact CA-OE2 3.23Å; W267-E273 HydrophobicContact CE3-CB 3.91Å; W267-E273 HydrophobicContact CE3-CG 3.74Å; W267-E273 HydrophobicContact CZ3-CB 4.48Å; W267-E273 HydrophobicContact CZ3-CG 4.08Å; W267-L274 HydrophobicContact CD2-CD1 4.2Å; W267-L274 HydrophobicContact CE3-CB 4.18Å; W267-L274 HydrophobicContact CE3-CD1 4.23Å; W267-L274 HydrophobicContact CH2-CD1 3.49Å; W267-L274 VanDerWaalsContact CH2-CD1 3.49Å; W267-L274 HydrophobicContact CZ2-CD1 3.45Å; W267-L274 VanDerWaalsContact CZ2-CD1 3.45Å; W267-L274 HydrophobicContact CZ3-CB 4.27Å; W267-L274 HydrophobicContact CZ3-CD1 3.89Å; W267-A277 HydrophobicContact CH2-CB 3.85Å; W267-A277 HydrophobicContact CZ3-CB 3.76Å
268P85.6Confident88.2Confident37 Ų3754.3 Ų54.324%0.2425%0.251CS..THydrogen-bonded Turntrans-50.7-33.5-179.120-33.9000114.7E273 M296P268-E273 WeakPolarHBondContact CD-OE2 3.42Å; P268-E273 WeakPolarHBondContact CG-OE2 3.29Å; P268-M296 HydrophobicContact CB-CE 4.1Å; P268-M296 HydrophobicContact CB-CG 4.45Å; P268-M296 HydrophobicContact CB-SD 4.46Å
269N86.4Confident88.2Confident68 Ų6856.2 Ų56.236%0.36426%0.259SS..THydrogen-bonded Turntrans-100.719176.4-77.6-35000112.8W267 V271 R272 E273W267-N269 PolarHBondContact O-N 2.74Å; W267-N269 VanDerWaalsContact O-N 3.09Å; N269-V271 PolarHBondContact O-N 2.88Å; N269-R272 WeakPolarHBondContact O-CB 3.28Å; N269-R272 PolarHBondContact O-N 2.84Å; N269-E273 HydrophobicContact CB-CB 3.78Å; N269-E273 HydrophobicContact CB-CG 4.43Å; N269-E273 PolarHBondContact N-OE2 3.06Å; N269-E273 PolarHBondContact O-N 3.28Å
270N92.7Very high88.1Confident4 Ų459 Ų592%0.02127%0.274CS..Hα-helixtrans50.8-131.2170.7-62.4-75.4000113.1A113 P114 G115 T116 P224 L225 W267 R272 E273 L274A113-N270 WeakPolarHBondContact CB-ND2 3.48Å; P114-N270 PolarHBondContact O-ND2 3.23Å; G115-N270 WeakPolarHBondContact O-CB 3.42Å; T116-N270 HydrophobicContact CG2-CB 4.11Å; P224-N270 WeakPolarHBondContact CA-OD1 3.28Å; P224-N270 WeakPolarHBondContact CB-OD1 3.47Å; L225-N270 HydrophobicContact CB-CB 4.21Å; L225-N270 PolarHBondContact N-OD1 3.05Å; W267-N270 WeakPolarHBondContact O-CA 3.37Å; W267-N270 PolarHBondContact O-N 2.96Å; N270-R272 PolarHBondContact O-N 3.46Å; N270-E273 WeakPolarHBondContact O-CB 3.5Å; N270-E273 PolarHBondContact O-N 3.36Å; N270-L274 PolarHBondContact O-N 3.4Å; N270-L274 VanDerWaalsContact O-N 3.09Å
271V91.7Very high88.1Confident14 Ų1455.5 Ų55.59%0.08526%0.259CS..Hα-helixtrans-64.3-30.1-175.3-173.70000111.6G115 L235 Y239 N269 E273 L274 A275G115-V271 WeakPolarHBondContact O-CB 3.29Å; G115-V271 WeakPolarHBondContact O-CG2 3.4Å; G115-V271 PolarHBondContact O-N 3.32Å; L235-V271 HydrophobicContact CD1-CG1 4.44Å; L235-V271 HydrophobicContact CD1-CG2 4.06Å; L235-V271 HydrophobicContact CD2-CG1 3.99Å; Y239-V271 HydrophobicContact CE2-CG1 3.47Å; Y239-V271 VanDerWaalsContact CE2-CG1 3.47Å; Y239-V271 WeakPolarHBondContact OH-CG1 3.36Å; N269-V271 PolarHBondContact O-N 2.88Å; V271-E273 VanDerWaalsContact C-N 3.35Å; V271-L274 PolarHBondContact O-N 3.18Å; V271-A275 VanDerWaalsContact O-CB 3.32Å; V271-A275 WeakPolarHBondContact O-CB 3.21Å; V271-A275 PolarHBondContact O-N 3.44Å
272R87.2Confident87.9Confident182 Ų18252.1 Ų52.169%0.68724%0.244SC*.Hα-helixtrans-65.8-40.8177.7-171.5176.5-175167.70.9111.3N269 N270 N276N269-R272 WeakPolarHBondContact O-CB 3.28Å; N269-R272 PolarHBondContact O-N 2.84Å; N270-R272 PolarHBondContact O-N 3.46Å; R272-N276 VanDerWaalsContact O-CG 3.27Å; R272-N276 PolarHBondContact O-N 3.39Å; R272-N276 VanDerWaalsContact O-N 3.08Å; R272-N276 PolarHBondContact O-OD1 3.33Å
273E90.9Very high87.6Confident15 Ų1555.4 Ų55.47%0.0726%0.264CS..Hα-helixtrans-67.1-43174.8-163.3178.6171.600112.1W267 P268 N269 N270 V271 A275 N276 A277 T291W267-E273 VanDerWaalsContact CA-OE2 3.22Å; W267-E273 WeakPolarHBondContact CA-OE2 3.23Å; W267-E273 HydrophobicContact CE3-CB 3.91Å; W267-E273 HydrophobicContact CE3-CG 3.74Å; W267-E273 HydrophobicContact CZ3-CB 4.48Å; W267-E273 HydrophobicContact CZ3-CG 4.08Å; P268-E273 WeakPolarHBondContact CD-OE2 3.42Å; P268-E273 WeakPolarHBondContact CG-OE2 3.29Å; N269-E273 HydrophobicContact CB-CB 3.78Å; N269-E273 HydrophobicContact CB-CG 4.43Å; N269-E273 PolarHBondContact N-OE2 3.06Å; N269-E273 PolarHBondContact O-N 3.28Å; N270-E273 WeakPolarHBondContact O-CB 3.5Å; N270-E273 PolarHBondContact O-N 3.36Å; V271-E273 VanDerWaalsContact C-N 3.35Å; E273-A275 VanDerWaalsContact C-N 3.31Å; E273-A275 PolarHBondContact O-N 3.43Å; E273-N276 PolarHBondContact O-N 2.83Å; E273-A277 WeakPolarHBondContact O-CB 3.5Å; E273-A277 PolarHBondContact O-N 2.96Å; E273-T291 WeakPolarHBondContact OE1-CB 3.4Å; E273-T291 PolarHBondContact OE1-OG1 3.08Å
274L91.8Very high86.9Confident0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-62.7-39.8177.4-172.169.5000111.8L225 I232 L235 F236 M262 W267 N270 V271 A277 A278L225-L274 HydrophobicContact CD2-CB 3.98Å; L225-L274 HydrophobicContact CD2-CD2 3.88Å; L225-L274 HydrophobicContact CD2-CG 4.41Å; I232-L274 HydrophobicContact CG2-CD1 4.06Å; I232-L274 HydrophobicContact CG2-CD2 4.33Å; L235-L274 HydrophobicContact CB-CD2 3.46Å; L235-L274 VanDerWaalsContact CB-CD2 3.46Å; L235-L274 HydrophobicContact CD1-CD2 4.33Å; F236-L274 HydrophobicContact CB-CD1 4.1Å; F236-L274 HydrophobicContact CB-CD2 4.29Å; F236-L274 HydrophobicContact CB-CG 4.25Å; F236-L274 HydrophobicContact CD2-CD1 4.01Å; F236-L274 HydrophobicContact CD2-CG 4.41Å; F236-L274 HydrophobicContact CG-CD1 4.48Å; M262-L274 HydrophobicContact CE-CD1 3.47Å; M262-L274 VanDerWaalsContact CE-CD1 3.47Å; W267-L274 HydrophobicContact CD2-CD1 4.2Å; W267-L274 HydrophobicContact CE3-CB 4.18Å; W267-L274 HydrophobicContact CE3-CD1 4.23Å; W267-L274 HydrophobicContact CH2-CD1 3.49Å; W267-L274 VanDerWaalsContact CH2-CD1 3.49Å; W267-L274 HydrophobicContact CZ2-CD1 3.45Å; W267-L274 VanDerWaalsContact CZ2-CD1 3.45Å; W267-L274 HydrophobicContact CZ3-CB 4.27Å; W267-L274 HydrophobicContact CZ3-CD1 3.89Å; N270-L274 PolarHBondContact O-N 3.4Å; N270-L274 VanDerWaalsContact O-N 3.09Å; V271-L274 PolarHBondContact O-N 3.18Å; L274-A277 PolarHBondContact O-N 3.35Å; L274-A278 PolarHBondContact O-N 2.89Å
275A88.8Confident85.8Confident13 Ų1348.2 Ų48.211%0.10725%0.254CS..Hα-helixtrans-62.8-46.5174.700000111.5Y239 V271 E273 A277 A278 E279Y239-A275 HydrophobicContact CD1-CB 3.55Å; Y239-A275 HydrophobicContact CD2-CB 3.84Å; Y239-A275 HydrophobicContact CE1-CB 3.73Å; Y239-A275 HydrophobicContact CE2-CB 4.03Å; Y239-A275 HydrophobicContact CG-CB 3.62Å; V271-A275 VanDerWaalsContact O-CB 3.32Å; V271-A275 WeakPolarHBondContact O-CB 3.21Å; V271-A275 PolarHBondContact O-N 3.44Å; E273-A275 VanDerWaalsContact C-N 3.31Å; E273-A275 PolarHBondContact O-N 3.43Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 3.26Å; A275-A278 WeakPolarHBondContact O-CB 3.39Å; A275-A278 PolarHBondContact O-N 2.99Å; A275-E279 PolarHBondContact O-N 2.88Å
276N87.7Confident84.7Confident86 Ų8648.5 Ų48.546%0.4626%0.259SS..Hα-helixtrans-61.1-41.7174.9-69.9-6.7000111.8R272 E273 A278 E279 L280R272-N276 VanDerWaalsContact O-CG 3.27Å; R272-N276 PolarHBondContact O-N 3.39Å; R272-N276 VanDerWaalsContact O-N 3.08Å; R272-N276 PolarHBondContact O-OD1 3.33Å; E273-N276 PolarHBondContact O-N 2.83Å; N276-A278 VanDerWaalsContact C-N 3.28Å; N276-A278 PolarHBondContact O-N 3.29Å; N276-E279 PolarHBondContact O-N 3.33Å; N276-L280 WeakPolarHBondContact O-CB 3.22Å; N276-L280 WeakPolarHBondContact O-CG 3.23Å; N276-L280 PolarHBondContact O-N 3.1Å
277A88.5Confident83.1Confident17 Ų1744.5 Ų44.514%0.1424%0.243CC..Hα-helixtrans-62.4-35.6176.400000112.3W267 E273 L274 A275 F281W267-A277 HydrophobicContact CH2-CB 3.85Å; W267-A277 HydrophobicContact CZ3-CB 3.76Å; E273-A277 WeakPolarHBondContact O-CB 3.5Å; E273-A277 PolarHBondContact O-N 2.96Å; L274-A277 PolarHBondContact O-N 3.35Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 3.26Å; A277-F281 WeakPolarHBondContact O-CB 3.34Å; A277-F281 PolarHBondContact O-N 3.46Å
278A88.7Confident81.4Confident0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-66.6-42.5172.900000112.8F236 L240 L274 A275 N276 L280 F281 T282F236-A278 HydrophobicContact CD2-CB 3.77Å; F236-A278 VanDerWaalsContact CE2-CA 3.48Å; F236-A278 HydrophobicContact CE2-CB 3.73Å; L240-A278 HydrophobicContact CB-CB 4.21Å; L274-A278 PolarHBondContact O-N 2.89Å; A275-A278 WeakPolarHBondContact O-CB 3.39Å; A275-A278 PolarHBondContact O-N 2.99Å; N276-A278 VanDerWaalsContact C-N 3.28Å; N276-A278 PolarHBondContact O-N 3.29Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.4Å; A278-F281 WeakPolarHBondContact O-CB 3.25Å; A278-F281 PolarHBondContact O-N 2.97Å; A278-T282 PolarHBondContact O-N 2.85Å; A278-T282 VanDerWaalsContact O-N 3.09Å; A278-T282 PolarHBondContact O-OG1 3.33Å
279E85.9Confident79.6Confident78 Ų7849 Ų4936%0.36427%0.273SS..Hα-helixtrans-62.1-42.3175-64.4-166.4167.900111.9A243 R246 A275 N276 F281 T282 V283A243-E279 HydrophobicContact CB-CB 4.4Å; A243-E279 HydrophobicContact CB-CG 3.92Å; R246-E279 IonicContact CZ-OE1 2.8Å; R246-E279 IonicContact NH2-OE1 3.4Å; R246-E279 PolarHBondContact NH2-OE1 3.4Å; R246-E279 IonicContact NH2-OE2 2.74Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å; A275-E279 PolarHBondContact O-N 2.88Å; N276-E279 PolarHBondContact O-N 3.33Å; E279-F281 VanDerWaalsContact C-N 3.35Å; E279-T282 WeakPolarHBondContact O-CB 3.37Å; E279-T282 PolarHBondContact O-N 3Å; E279-V283 PolarHBondContact O-N 3.16Å
280L85.3Confident77.9Confident68 Ų6854.2 Ų54.236%0.35630%0.295SS..Hα-helixtrans-63.4-38.2175-77.6-179.5000112.4N276 A278 T282 V283 G284 V285 P287N276-L280 WeakPolarHBondContact O-CB 3.22Å; N276-L280 WeakPolarHBondContact O-CG 3.23Å; N276-L280 PolarHBondContact O-N 3.1Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.4Å; L280-T282 VanDerWaalsContact C-N 3.33Å; L280-T282 PolarHBondContact O-N 2.9Å; L280-V283 VanDerWaalsContact O-CG2 3.25Å; L280-V283 WeakPolarHBondContact O-CG2 3.48Å; L280-V283 PolarHBondContact O-N 3.4Å; L280-G284 PolarHBondContact O-N 3.29Å; L280-V285 CarbonylContact C-O 3.56Å; L280-V285 VanDerWaalsContact CB-O 3.29Å; L280-V285 WeakPolarHBondContact CB-O 3.48Å; L280-V285 CarbonylContact O-C 3.45Å; L280-V285 PolarHBondContact O-N 3.49Å; L280-P287 HydrophobicContact CD1-CG 4.09Å
281F86.3Confident75.7Confident26 Ų2657.2 Ų57.211%0.11431%0.313CS..Hα-helixtrans-60.5-41.8173-169.1-83.2000111.6F236 L240 P252 V254 M258 A277 A278 E279 V283 G284 L286F236-F281 HydrophobicContact CE2-CB 4.43Å; F236-F281 HydrophobicContact CZ-CB 3.93Å; F236-F281 HydrophobicContact CZ-CD1 4.45Å; F236-F281 AromaticContact CZ-CD2 3.85Å; F236-F281 HydrophobicContact CZ-CD2 3.85Å; F236-F281 AromaticContact CZ-CG 3.83Å; F236-F281 HydrophobicContact CZ-CG 3.83Å; L240-F281 HydrophobicContact CD1-CB 4.29Å; L240-F281 HydrophobicContact CD1-CD1 3.62Å; L240-F281 HydrophobicContact CD1-CE1 4.5Å; L240-F281 HydrophobicContact CD1-CG 4.33Å; L240-F281 HydrophobicContact CD2-CD1 4.12Å; L240-F281 HydrophobicContact CD2-CE1 4.31Å; P252-F281 HydrophobicContact CB-CD1 4.38Å; P252-F281 HydrophobicContact CB-CE1 3.68Å; P252-F281 HydrophobicContact CG-CD1 3.53Å; P252-F281 HydrophobicContact CG-CE1 3.28Å; P252-F281 HydrophobicContact CG-CZ 4.5Å; V254-F281 HydrophobicContact CG2-CE1 4.34Å; M258-F281 HydrophobicContact CE-CD2 4.43Å; M258-F281 HydrophobicContact CE-CE2 3.75Å; M258-F281 HydrophobicContact SD-CD2 3.78Å; M258-F281 HydrophobicContact SD-CE2 3.26Å; M258-F281 WeakPolarHBondContact SD-CE2 3.46Å; M258-F281 HydrophobicContact SD-CZ 4.24Å; A277-F281 WeakPolarHBondContact O-CB 3.34Å; A277-F281 PolarHBondContact O-N 3.46Å; A278-F281 WeakPolarHBondContact O-CB 3.25Å; A278-F281 PolarHBondContact O-N 2.97Å; E279-F281 VanDerWaalsContact C-N 3.35Å; F281-V283 VanDerWaalsContact C-N 3.28Å; F281-V283 PolarHBondContact O-N 3.44Å; F281-G284 PolarHBondContact O-N 2.68Å; F281-G284 VanDerWaalsContact O-N 3.14Å; F281-L286 HydrophobicContact CB-CD1 4.03Å; F281-L286 HydrophobicContact CB-CD2 4.19Å; F281-L286 HydrophobicContact CB-CG 4.1Å; F281-L286 HydrophobicContact CD2-CD1 2.96Å; F281-L286 HydrophobicContact CD2-CD2 3.55Å; F281-L286 HydrophobicContact CD2-CG 3.63Å; F281-L286 HydrophobicContact CE2-CD1 3.33Å; F281-L286 HydrophobicContact CE2-CD2 4.4Å; F281-L286 HydrophobicContact CE2-CG 4.37Å; F281-L286 HydrophobicContact CG-CD1 3.7Å; F281-L286 HydrophobicContact CG-CD2 4.35Å; F281-L286 HydrophobicContact CG-CG 4.25Å; F281-L286 HydrophobicContact CZ-CD1 4.43Å
282T82.8Confident73.4Confident15 Ų1559.6 Ų59.69%0.09234%0.335CS..Hα-helixtrans-58.8-37.5178.8-57.50000112.9L240 A243 C244 L247 H249 A278 E279 L280 G284L240-T282 WeakPolarHBondContact CD1-OG1 3.49Å; A243-T282 WeakPolarHBondContact CB-OG1 3.44Å; C244-T282 HydrophobicContact CB-CG2 4.46Å; L247-T282 HydrophobicContact CB-CG2 4.47Å; L247-T282 HydrophobicContact CD1-CG2 3.72Å; H249-T282 HydrophobicContact CB-CG2 4Å; A278-T282 PolarHBondContact O-N 2.85Å; A278-T282 VanDerWaalsContact O-N 3.09Å; A278-T282 PolarHBondContact O-OG1 3.33Å; E279-T282 WeakPolarHBondContact O-CB 3.37Å; E279-T282 PolarHBondContact O-N 3Å; L280-T282 VanDerWaalsContact C-N 3.33Å; L280-T282 PolarHBondContact O-N 2.9Å; T282-G284 VanDerWaalsContact C-N 3.33Å
283V81.5Confident71.3Confident76 Ų7652.5 Ų52.546%0.46131%0.31SS..THydrogen-bonded Turntrans-89.55-178.8-62.10000113.6L247 E279 L280 F281 V285L247-V283 HydrophobicContact CD1-CG1 3.88Å; E279-V283 PolarHBondContact O-N 3.16Å; L280-V283 VanDerWaalsContact O-CG2 3.25Å; L280-V283 WeakPolarHBondContact O-CG2 3.48Å; L280-V283 PolarHBondContact O-N 3.4Å; F281-V283 VanDerWaalsContact C-N 3.28Å; F281-V283 PolarHBondContact O-N 3.44Å; V283-V285 VanDerWaalsContact C-N 3.25Å; V283-V285 HydrophobicContact CG2-CB 4.11Å; V283-V285 HydrophobicContact CG2-CG2 4.04Å; V283-V285 PolarHBondContact O-N 3.15Å
284G74.3Confident68.9Low36 Ų3657.3 Ų57.337%0.37134%0.343SS..THydrogen-bonded Turntrans776.6-179.900000114.6L280 F281 T282 F357L280-G284 PolarHBondContact O-N 3.29Å; F281-G284 PolarHBondContact O-N 2.68Å; F281-G284 VanDerWaalsContact O-N 3.14Å; T282-G284 VanDerWaalsContact C-N 3.33Å; G284-F357 WeakPolarHBondContact O-CZ 2.98Å
285V65.8Low66.6Low85 Ų8564.2 Ų64.252%0.51538%0.379SS..  trans-103.175-179.7-173.80000108.1L280 V283 P287L280-V285 CarbonylContact C-O 3.56Å; L280-V285 VanDerWaalsContact CB-O 3.29Å; L280-V285 WeakPolarHBondContact CB-O 3.48Å; L280-V285 CarbonylContact O-C 3.45Å; L280-V285 PolarHBondContact O-N 3.49Å; V283-V285 VanDerWaalsContact C-N 3.25Å; V283-V285 HydrophobicContact CG2-CB 4.11Å; V283-V285 HydrophobicContact CG2-CG2 4.04Å; V283-V285 PolarHBondContact O-N 3.15Å; V285-P287 VanDerWaalsContact O-CD 3.23Å; V285-P287 WeakPolarHBondContact O-CD 3.42Å
286L62.4Low64.4Low58 Ų5869.4 Ų69.430%0.30440%0.402SS..  trans-86.7116.1167.9-80.9122.7000110.9M258 F281 L288M258-L286 HydrophobicContact CE-CD1 4.26Å; M258-L286 HydrophobicContact SD-CD2 4.46Å; F281-L286 HydrophobicContact CB-CD1 4.03Å; F281-L286 HydrophobicContact CB-CD2 4.19Å; F281-L286 HydrophobicContact CB-CG 4.1Å; F281-L286 HydrophobicContact CD2-CD1 2.96Å; F281-L286 HydrophobicContact CD2-CD2 3.55Å; F281-L286 HydrophobicContact CD2-CG 3.63Å; F281-L286 HydrophobicContact CE2-CD1 3.33Å; F281-L286 HydrophobicContact CE2-CD2 4.4Å; F281-L286 HydrophobicContact CE2-CG 4.37Å; F281-L286 HydrophobicContact CG-CD1 3.7Å; F281-L286 HydrophobicContact CG-CD2 4.35Å; F281-L286 HydrophobicContact CG-CG 4.25Å; F281-L286 HydrophobicContact CZ-CD1 4.43Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 2.83Å
287P52.7Low62.1Low51 Ų5171.8 Ų71.833%0.33141%0.411SS..  trans-75.29515224-10.7000106.7R265 L280 V285 A289R265-P287 PolarHBondContact NH1-O 3.4Å; L280-P287 HydrophobicContact CD1-CG 4.09Å; V285-P287 VanDerWaalsContact O-CD 3.23Å; V285-P287 WeakPolarHBondContact O-CD 3.42Å; P287-A289 HydrophobicContact CB-CB 4.29Å; P287-A289 PolarHBondContact O-N 2.83Å
288L52.9Low59.8Low83 Ų8377.6 Ų77.644%0.43544%0.444SS..  trans-65.4-3.4151.1-74.4165.9000111L286L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 2.83Å
289A46.6Very low57.3Low54 Ų5480.3 Ų80.345%0.44647%0.472SS..SBendtrans-68139.4165.600000110.7R265 P287 T291R265-A289 PolarHBondContact NH2-O 3.33Å; P287-A289 HydrophobicContact CB-CB 4.29Å; P287-A289 PolarHBondContact O-N 2.83Å; A289-T291 PolarHBondContact O-N 2.99Å; A289-T291 VanDerWaalsContact O-N 3.09Å
290E50.8Low55.6Low177 Ų17782.6 Ų82.683%0.82749%0.492SS*.  trans-49.9118.1168.5-68.4176171.200108.6A292E290-A292 PolarHBondContact O-N 2.74Å
291T48.4Very low53.7Low68 Ų6885.6 Ų85.642%0.41752%0.515SS..  trans-61.289.8165.919.60000106.4R265 E273 A289 N293R265-T291 PolarHBondContact NH2-OG1 3.27Å; E273-T291 WeakPolarHBondContact OE1-CB 3.4Å; E273-T291 PolarHBondContact OE1-OG1 3.08Å; A289-T291 PolarHBondContact O-N 2.99Å; A289-T291 VanDerWaalsContact O-N 3.09Å; T291-N293 PolarHBondContact O-N 3.44Å
292A42.4Very low52.3Low64 Ų6486.7 Ų86.753%0.52952%0.524SS..  trans-58.8103.1174.600000107.3E290 P294E290-A292 PolarHBondContact O-N 2.74Å; A292-P294 WeakPolarHBondContact O-CD 3.46Å
293N43.4Very low52Low32 Ų3290.1 Ų90.117%0.17155%0.546CS..  trans-74.7113.1172.7-173.30000106.6T291 L295 M296T291-N293 PolarHBondContact O-N 3.44Å; N293-L295 PolarHBondContact O-N 3.35Å; N293-L295 PolarHBondContact OD1-N 2.95Å; N293-M296 HydrophobicContact CB-CB 4.02Å; N293-M296 HydrophobicContact CB-CG 3.78Å; N293-M296 WeakPolarHBondContact ND2-CG 3.47Å; N293-M296 PolarHBondContact O-N 3.21Å
294P39.9Very low51.6Low116 Ų11692.5 Ų92.575%0.75356%0.556SS**THydrogen-bonded Turntrans-59-15.7178.622.3-32000112.6A292A292-P294 WeakPolarHBondContact O-CD 3.46Å
295L42.8Very low51.7Low146 Ų14696.5 Ų96.576%0.76457%0.569SS**THydrogen-bonded Turntrans-94.7-4.8178.8-62.6168.8000114.9N293N293-L295 PolarHBondContact O-N 3.35Å; N293-L295 PolarHBondContact OD1-N 2.95Å
296M43.3Very low52.2Low122 Ų12299.7 Ų99.760%0.60157%0.572SS**  trans-96.1-3.5179.8-76-99.1-73.900114.3P268 N293 V298P268-M296 HydrophobicContact CB-CE 4.1Å; P268-M296 HydrophobicContact CB-CG 4.45Å; P268-M296 HydrophobicContact CB-SD 4.46Å; N293-M296 HydrophobicContact CB-CB 4.02Å; N293-M296 HydrophobicContact CB-CG 3.78Å; N293-M296 WeakPolarHBondContact ND2-CG 3.47Å; N293-M296 PolarHBondContact O-N 3.21Å; M296-V298 PolarHBondContact O-N 3.07Å
297H39.7Very low52.6Low136 Ų136104.1 Ų104.163%0.6358%0.584SS**  trans-80.852.6170-72.6-56.7000111.8
298V39.2Very low53.9Low138 Ų138105.3 Ų105.384%0.83659%0.59SS**  trans-132.868.9167.5-168.40000107.6M296M296-V298 PolarHBondContact O-N 3.07Å
299G38.1Very low55.4Low58 Ų58104.7 Ų104.760%0.59859%0.585SS**SBendtrans172.999.9179.300000112.4
300T48.5Very low56.8Low126 Ų126106 Ų10677%0.77359%0.585SS**SBendtrans78125-175.171.90000115.8T302T300-T302 PolarHBondContact O-N 3.47Å
301P46.1Very low58.2Low131 Ų13199.8 Ų99.885%0.85156%0.564SS**  trans-71.5102.8174.828.4-29.6000108.8
302T57Low60Low48 Ų4898.2 Ų98.229%0.29455%0.552SS.*  trans-65.4135.5165.97.50000109T300 L304 R306T300-T302 PolarHBondContact O-N 3.47Å; T302-L304 PolarHBondContact O-N 3.33Å; T302-R306 HydrophobicContact CG2-CG 4.49Å
303P76.3Confident62.2Low87 Ų87101.1 Ų101.157%0.56555%0.549SS*.  trans-51.4141.5174.5-26.734.2000111.3D305 R306 R307P303-D305 PolarHBondContact O-N 3.44Å; P303-D305 VanDerWaalsContact O-N 3.16Å; P303-R306 WeakPolarHBondContact O-CB 3.25Å; P303-R306 PolarHBondContact O-N 3.32Å; P303-R307 PolarHBondContact O-N 3.24Å
304L73.3Confident64.1Low126 Ų126104.3 Ų104.366%0.6656%0.563SS**Hα-helixtrans-51-42.6-177.2178.563.9000112T302 R306 R307 V308T302-L304 PolarHBondContact O-N 3.33Å; L304-R306 VanDerWaalsContact C-N 3.26Å; L304-R306 PolarHBondContact O-N 3.48Å; L304-R307 PolarHBondContact O-N 3.21Å; L304-R307 VanDerWaalsContact O-N 3.12Å; L304-V308 HydrophobicContact CD1-CG2 4.23Å; L304-V308 HydrophobicContact CG-CG2 4.34Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 2.9Å
305D76.5Confident66.3Low120 Ų120103 Ų10364%0.64255%0.548SS*.Hα-helixtrans-55.7-41.5179.6-64.1-34000112.1P303 V308 E309P303-D305 PolarHBondContact O-N 3.44Å; P303-D305 VanDerWaalsContact O-N 3.16Å; D305-V308 PolarHBondContact O-N 2.95Å; D305-E309 WeakPolarHBondContact O-CB 3.39Å; D305-E309 VanDerWaalsContact O-CG 3.28Å; D305-E309 WeakPolarHBondContact O-CG 3.39Å; D305-E309 PolarHBondContact O-N 3.32Å
306R76.2Confident68.5Low153 Ų15396.1 Ų96.158%0.57751%0.512SS*.Hα-helixtrans-69-40.2179.4-167.4172.1178159.31.1111.8T302 P303 L304 V308 E309 D310T302-R306 HydrophobicContact CG2-CG 4.49Å; P303-R306 WeakPolarHBondContact O-CB 3.25Å; P303-R306 PolarHBondContact O-N 3.32Å; L304-R306 VanDerWaalsContact C-N 3.26Å; L304-R306 PolarHBondContact O-N 3.48Å; R306-V308 VanDerWaalsContact C-N 3.33Å; R306-V308 PolarHBondContact O-N 3.37Å; R306-E309 PolarHBondContact O-N 3.12Å; R306-D310 VanDerWaalsContact O-CG 3.27Å; R306-D310 PolarHBondContact O-N 3.33Å
307R70.6Confident70.5Confident150 Ų15091.4 Ų91.457%0.56649%0.491SS*.Hα-helixtrans-63.3-40175.9-65.1-177.465.3-176.80.5112P303 L304 A311P303-R307 PolarHBondContact O-N 3.24Å; L304-R307 PolarHBondContact O-N 3.21Å; L304-R307 VanDerWaalsContact O-N 3.12Å; R307-A311 WeakPolarHBondContact O-CB 3.38Å; R307-A311 PolarHBondContact O-N 3.45Å
308V80.1Confident72.5Confident76 Ų7689.5 Ų89.546%0.46148%0.482SS..Hα-helixtrans-66.6-41.4176174.60000110.3L304 D305 R306 E312L304-V308 HydrophobicContact CD1-CG2 4.23Å; L304-V308 HydrophobicContact CG-CG2 4.34Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 2.9Å; D305-V308 PolarHBondContact O-N 2.95Å; R306-V308 VanDerWaalsContact C-N 3.33Å; R306-V308 PolarHBondContact O-N 3.37Å; V308-E312 VanDerWaalsContact O-CB 3.22Å; V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 PolarHBondContact O-N 2.87Å
309E85.1Confident74.7Confident71 Ų7183 Ų8333%0.33244%0.443SS..Hα-helixtrans-63.6-43.8176.5-76.3179.5171.400113.2D305 R306 E312 R313 K347 Y348D305-E309 WeakPolarHBondContact O-CB 3.39Å; D305-E309 VanDerWaalsContact O-CG 3.28Å; D305-E309 WeakPolarHBondContact O-CG 3.39Å; D305-E309 PolarHBondContact O-N 3.32Å; R306-E309 PolarHBondContact O-N 3.12Å; E309-E312 PolarHBondContact O-N 2.88Å; E309-R313 WeakPolarHBondContact O-CB 3.29Å; E309-R313 PolarHBondContact O-N 3.14Å; E309-K347 VanDerWaalsContact OE1-CE 3.23Å; E309-K347 WeakPolarHBondContact OE1-CE 3.43Å; E309-K347 IonicContact OE1-NZ 2.85Å; E309-K347 PolarHBondContact OE1-NZ 2.82Å; E309-Y348 HydrophobicContact CB-CE1 4Å; E309-Y348 HydrophobicContact CG-CE1 4.12Å
310D75.2Confident77Confident81 Ų8180.2 Ų80.243%0.43341%0.414SS..Hα-helixtrans-64.6-45.2178.4-68.7-28.3000111R306 R313 Q314R306-D310 VanDerWaalsContact O-CG 3.27Å; R306-D310 PolarHBondContact O-N 3.33Å; D310-R313 PolarHBondContact O-N 3.24Å; D310-Q314 WeakPolarHBondContact O-CB 3.47Å; D310-Q314 PolarHBondContact O-N 3.05Å
311A79.9Confident78.5Confident47 Ų4778.3 Ų78.339%0.38840%0.399SS..Hα-helixtrans-62.7-43.5175.400000112R307 Q314 I315R307-A311 WeakPolarHBondContact O-CB 3.38Å; R307-A311 PolarHBondContact O-N 3.45Å; A311-Q314 PolarHBondContact O-N 3.04Å; A311-I315 WeakPolarHBondContact O-CD1 3.42Å; A311-I315 VanDerWaalsContact O-CG1 3.28Å; A311-I315 WeakPolarHBondContact O-CG1 3.46Å; A311-I315 PolarHBondContact O-N 3.47Å
312E86.9Confident80.2Confident34 Ų3477 Ų7716%0.15938%0.384CS..Hα-helixtrans-63.7-43.1178.2-171.4179152.400111.5V308 E309 I315 I316 R344 Y348V308-E312 VanDerWaalsContact O-CB 3.22Å; V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 PolarHBondContact O-N 2.87Å; E309-E312 PolarHBondContact O-N 2.88Å; E312-I315 PolarHBondContact O-N 3.47Å; E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.41Å; E312-I316 PolarHBondContact O-N 3.28Å; E312-I316 VanDerWaalsContact O-N 3.12Å; E312-R344 WeakPolarHBondContact OE1-CD 3.48Å; E312-R344 WeakPolarHBondContact OE1-CG 3.34Å; E312-R344 IonicContact OE1-CZ 2.92Å; E312-R344 IonicContact OE1-NE 3.13Å; E312-R344 PolarHBondContact OE1-NE 2.91Å; E312-R344 IonicContact OE1-NH1 3.13Å; E312-R344 PolarHBondContact OE1-NH1 3.1Å; E312-R344 IonicContact OE1-NH2 2.71Å; E312-R344 PolarHBondContact OE1-NH2 3.12Å; E312-R344 IonicContact OE2-CZ 3.01Å; E312-R344 IonicContact OE2-NH1 2.83Å; E312-R344 IonicContact OE2-NH2 3.98Å; E312-R344 PolarHBondContact OE2-NH2 2.97Å; E312-Y348 HydrophobicContact CB-CE2 4.36Å; E312-Y348 HydrophobicContact CG-CE2 3.97Å; E312-Y348 PolarHBondContact OE1-OH 3.16Å; E312-Y348 PolarHBondContact OE2-OH 3.35Å
313R87.6Confident81.6Confident125 Ų12576.5 Ų76.547%0.47238%0.378SS..Hα-helixtrans-59.8-46.5175.7179.8-179178.1-171.6-1.3111.1E309 D310 I316 T317 Y348E309-R313 WeakPolarHBondContact O-CB 3.29Å; E309-R313 PolarHBondContact O-N 3.14Å; D310-R313 PolarHBondContact O-N 3.24Å; R313-I316 PolarHBondContact O-N 3.4Å; R313-T317 PolarHBondContact O-N 3.17Å; R313-T317 PolarHBondContact O-OG1 3.37Å; R313-Y348 HydrophobicContact CB-CD1 4.25Å; R313-Y348 HydrophobicContact CB-CD2 4.34Å; R313-Y348 HydrophobicContact CB-CG 4.09Å; R313-Y348 HydrophobicContact CG-CG 4.29Å
314Q83.6Confident81.9Confident99 Ų9977 Ų7746%0.46337%0.373SS..Hα-helixtrans-60.3-48.3-180-176.5177.2-10.800111.7D310 A311 I316 T317 E318D310-Q314 WeakPolarHBondContact O-CB 3.47Å; D310-Q314 PolarHBondContact O-N 3.05Å; A311-Q314 PolarHBondContact O-N 3.04Å; Q314-I316 VanDerWaalsContact C-N 3.3Å; Q314-I316 PolarHBondContact O-N 2.83Å; Q314-T317 PolarHBondContact O-N 3.07Å; Q314-T317 VanDerWaalsContact O-N 3.16Å; Q314-E318 HydrophobicContact CG-CG 4.47Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.37Å; Q314-E318 PolarHBondContact NE2-OE1 3.29Å; Q314-E318 WeakPolarHBondContact O-CG 3.26Å; Q314-E318 PolarHBondContact O-N 3Å
315I87Confident82.2Confident88 Ų8871 Ų7145%0.45134%0.342SS..Hα-helixtrans-57.8-43.1178.4-69.1164.7000111.2A311 E312 A319 L334A311-I315 WeakPolarHBondContact O-CD1 3.42Å; A311-I315 VanDerWaalsContact O-CG1 3.28Å; A311-I315 WeakPolarHBondContact O-CG1 3.46Å; A311-I315 PolarHBondContact O-N 3.47Å; E312-I315 PolarHBondContact O-N 3.47Å; I315-A319 WeakPolarHBondContact O-CB 3.43Å; I315-A319 PolarHBondContact O-N 3.09Å; I315-L334 HydrophobicContact CG2-CD2 3.53Å
316I87.5Confident82.8Confident2 Ų271.7 Ų71.71%0.0134%0.336CS..Hα-helixtrans-66.9-42.7178.8-66.2168000110.9E312 R313 Q314 A319 L320 L334 L341 R344 M345 Y348 L350E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.41Å; E312-I316 PolarHBondContact O-N 3.28Å; E312-I316 VanDerWaalsContact O-N 3.12Å; R313-I316 PolarHBondContact O-N 3.4Å; Q314-I316 VanDerWaalsContact C-N 3.3Å; Q314-I316 PolarHBondContact O-N 2.83Å; I316-A319 PolarHBondContact O-N 3.01Å; I316-L320 HydrophobicContact CG2-CD1 3.8Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 WeakPolarHBondContact O-CB 2.89Å; I316-L320 VanDerWaalsContact O-CG 3.26Å; I316-L320 WeakPolarHBondContact O-CG 3.16Å; I316-L320 PolarHBondContact O-N 3.46Å; I316-L334 HydrophobicContact CG1-CD1 4.16Å; I316-L341 HydrophobicContact CG1-CD1 4.37Å; I316-L341 HydrophobicContact CG2-CD1 3.99Å; I316-R344 HydrophobicContact CD1-CB 3.73Å; I316-M345 HydrophobicContact CG2-CG 4.04Å; I316-Y348 HydrophobicContact CD1-CD2 4.16Å; I316-Y348 HydrophobicContact CD1-CE2 4.12Å; I316-L350 HydrophobicContact CB-CD1 4.13Å; I316-L350 HydrophobicContact CG2-CD1 3.63Å
317T85.1Confident83.5Confident24 Ų2464.9 Ų64.915%0.14731%0.31CS..Hα-helixtrans-63.7-43.7177.8-65.30000112R313 Q314 L320 N321 Y355R313-T317 PolarHBondContact O-N 3.17Å; R313-T317 PolarHBondContact O-OG1 3.37Å; Q314-T317 PolarHBondContact O-N 3.07Å; Q314-T317 VanDerWaalsContact O-N 3.16Å; T317-L320 PolarHBondContact O-N 3.39Å; T317-N321 PolarHBondContact O-N 3.39Å; T317-N321 PolarHBondContact O-ND2 2.9Å; T317-Y355 HydrophobicContact CG2-CE1 4.04Å
318E82.2Confident84.3Confident95 Ų9562.1 Ų62.144%0.44431%0.307SS..Hα-helixtrans-60.2-46.9175.4-75.4174.4-168.200111.4Q314 L320 N321 I322Q314-E318 HydrophobicContact CG-CG 4.47Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.37Å; Q314-E318 PolarHBondContact NE2-OE1 3.29Å; Q314-E318 WeakPolarHBondContact O-CG 3.26Å; Q314-E318 PolarHBondContact O-N 3Å; E318-L320 PolarHBondContact O-N 3.39Å; E318-N321 WeakPolarHBondContact O-CB 3.31Å; E318-N321 PolarHBondContact O-N 3.05Å; E318-I322 VanDerWaalsContact O-CG1 3.31Å; E318-I322 WeakPolarHBondContact O-CG1 3.31Å; E318-I322 PolarHBondContact O-N 3.42Å
319A85.6Confident84.8Confident1 Ų161.5 Ų61.51%0.00830%0.299CS..Hα-helixtrans-63.5-39.9177.600000112.4I315 I316 N321 I322 H323 V330 Y333 L334I315-A319 WeakPolarHBondContact O-CB 3.43Å; I315-A319 PolarHBondContact O-N 3.09Å; I316-A319 PolarHBondContact O-N 3.01Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 3.19Å; A319-I322 PolarHBondContact O-N 3.09Å; A319-H323 PolarHBondContact O-CD2 3.45Å; A319-H323 PolarHBondContact O-N 3.08Å; A319-H323 VanDerWaalsContact O-N 3.12Å; A319-V330 HydrophobicContact CB-CG1 3.85Å; A319-V330 WeakPolarHBondContact O-CG2 2.97Å; A319-Y333 HydrophobicContact CB-CD1 3.9Å; A319-Y333 HydrophobicContact CB-CE1 4.26Å; A319-L334 HydrophobicContact CB-CD1 3.95Å; A319-L334 HydrophobicContact CB-CD2 3.98Å; A319-L334 HydrophobicContact CB-CG 3.94Å
320L87.7Confident85Confident0 Ų058.1 Ų58.10%028%0.283CS..Hα-helixtrans-62-37.4175-76.4165.2000112.4I316 T317 E318 Q324 G325 I327 V330 M345 L350 Y355I316-L320 HydrophobicContact CG2-CD1 3.8Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 WeakPolarHBondContact O-CB 2.89Å; I316-L320 VanDerWaalsContact O-CG 3.26Å; I316-L320 WeakPolarHBondContact O-CG 3.16Å; I316-L320 PolarHBondContact O-N 3.46Å; T317-L320 PolarHBondContact O-N 3.39Å; E318-L320 PolarHBondContact O-N 3.39Å; L320-Q324 PolarHBondContact O-N 3.34Å; L320-Q324 VanDerWaalsContact O-N 3.15Å; L320-G325 PolarHBondContact O-N 3.11Å; L320-I327 HydrophobicContact CD2-CD1 3.7Å; L320-V330 HydrophobicContact CD2-CG2 4.14Å; L320-M345 HydrophobicContact CD1-CE 3.99Å; L320-M345 HydrophobicContact CD2-CE 4.12Å; L320-M345 HydrophobicContact CD2-SD 4.5Å; L320-L350 HydrophobicContact CD1-CB 4.49Å; L320-L350 HydrophobicContact CD1-CD1 4.39Å; L320-Y355 HydrophobicContact CB-CD1 4.18Å; L320-Y355 HydrophobicContact CB-CD2 4Å; L320-Y355 HydrophobicContact CB-CE2 4.36Å; L320-Y355 HydrophobicContact CB-CG 3.9Å; L320-Y355 HydrophobicContact CD1-CD2 3.99Å; L320-Y355 HydrophobicContact CD1-CE2 3.83Å; L320-Y355 HydrophobicContact CG-CD2 4.42Å
321N78.9Confident85.9Confident86 Ų8654.8 Ų54.846%0.4627%0.267SS..Hα-helixtrans-67.4-49.5175.2-78.2-33.8000111.8T317 E318 A319 H323 Q324 Y355T317-N321 PolarHBondContact O-N 3.39Å; T317-N321 PolarHBondContact O-ND2 2.9Å; E318-N321 WeakPolarHBondContact O-CB 3.31Å; E318-N321 PolarHBondContact O-N 3.05Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 3.19Å; N321-H323 PolarHBondContact O-N 3.28Å; N321-Q324 PolarHBondContact O-N 3.29Å; N321-Y355 WeakPolarHBondContact OD1-CD1 3.42Å; N321-Y355 WeakPolarHBondContact OD1-CE1 3.26Å
322I82.9Confident86.4Confident105 Ų10559.8 Ų59.854%0.53828%0.282SS..Hα-helixtrans-56.3-42.3-179-69165.9000111E318 A319E318-I322 VanDerWaalsContact O-CG1 3.31Å; E318-I322 WeakPolarHBondContact O-CG1 3.31Å; E318-I322 PolarHBondContact O-N 3.42Å; A319-I322 PolarHBondContact O-N 3.09Å
323H86.3Confident86.6Confident36 Ų3664.7 Ų64.717%0.16730%0.3CS..THydrogen-bonded Turntrans-9916.2-176.4-67.1-73.2000114A319 N321 G325 R326 E329 V330 Y333A319-H323 PolarHBondContact O-CD2 3.45Å; A319-H323 PolarHBondContact O-N 3.08Å; A319-H323 VanDerWaalsContact O-N 3.12Å; N321-H323 PolarHBondContact O-N 3.28Å; H323-G325 VanDerWaalsContact C-N 3.26Å; H323-G325 PolarHBondContact O-N 2.97Å; H323-G325 VanDerWaalsContact O-N 3.12Å; H323-R326 WeakPolarHBondContact O-CB 3.46Å; H323-R326 VanDerWaalsContact O-CG 3.24Å; H323-R326 WeakPolarHBondContact O-CG 3.39Å; H323-R326 PolarHBondContact O-N 3.43Å; H323-E329 HydrophobicContact CB-CB 4.04Å; H323-E329 IonicContact CE1-OE2 2.7Å; H323-E329 IonicContact CG-OE2 3.79Å; H323-E329 WeakPolarHBondContact ND1-CB 3.36Å; H323-E329 IonicContact ND1-OE2 2.7Å; H323-E329 PolarHBondContact ND1-OE2 2.96Å; H323-V330 HydrophobicContact CB-CG2 3.69Å; H323-Y333 AromaticContact NE2-CD2 3.89Å; H323-Y333 AromaticContact NE2-CG 3.68Å
324Q81.3Confident86.8Confident97 Ų9760.5 Ų60.545%0.45329%0.287SS..THydrogen-bonded Turntrans48.944.1175.3-59.8178-19.900113.6L320 N321 R326 Y355L320-Q324 PolarHBondContact O-N 3.34Å; L320-Q324 VanDerWaalsContact O-N 3.15Å; N321-Q324 PolarHBondContact O-N 3.29Å; Q324-R326 VanDerWaalsContact C-N 3.26Å; Q324-R326 PolarHBondContact O-N 3.28Å; Q324-Y355 CarbonylContact C-O 2.99Å; Q324-Y355 VanDerWaalsContact CA-O 3.27Å; Q324-Y355 WeakPolarHBondContact CA-O 3.21Å
325G80.7Confident87.3Confident1 Ų164.1 Ų64.11%0.0130%0.304CS..THydrogen-bonded Turntrans71.810.2179.600000115.6L320 H323 I327 Y355L320-G325 PolarHBondContact O-N 3.11Å; H323-G325 VanDerWaalsContact C-N 3.26Å; H323-G325 PolarHBondContact O-N 2.97Å; H323-G325 VanDerWaalsContact O-N 3.12Å; G325-I327 PolarHBondContact O-N 3.2Å; G325-I327 VanDerWaalsContact O-N 3.1Å; G325-Y355 PolarHBondContact N-O 3.41Å
326R87.9Confident87.5Confident134 Ų13461.3 Ų61.351%0.50629%0.289SS..  trans-77.392.5175.8-62.8177.5-172-179.56111.4H323 Q324 N328 E329 V330H323-R326 WeakPolarHBondContact O-CB 3.46Å; H323-R326 VanDerWaalsContact O-CG 3.24Å; H323-R326 WeakPolarHBondContact O-CG 3.39Å; H323-R326 PolarHBondContact O-N 3.43Å; Q324-R326 VanDerWaalsContact C-N 3.26Å; Q324-R326 PolarHBondContact O-N 3.28Å; R326-N328 PolarHBondContact O-N 3.19Å; R326-N328 VanDerWaalsContact O-N 3.1Å; R326-E329 HydrophobicContact CB-CB 4.32Å; R326-E329 HydrophobicContact CB-CG 4.09Å; R326-E329 VanDerWaalsContact CD-CD 3.42Å; R326-E329 WeakPolarHBondContact CD-OE1 3.26Å; R326-E329 IonicContact CZ-OE1 3.74Å; R326-E329 IonicContact NE-OE1 3.81Å; R326-E329 IonicContact NH1-OE1 2.84Å; R326-E329 PolarHBondContact NH1-OE1 3.44Å; R326-E329 PolarHBondContact O-N 3.39Å; R326-E329 VanDerWaalsContact O-N 3.08Å; R326-V330 WeakPolarHBondContact O-CG2 3.42Å; R326-V330 PolarHBondContact O-N 3.44Å; R326-V330 VanDerWaalsContact O-N 3.09Å
327I90.4Very high87.8Confident10 Ų1065.6 Ų65.65%0.05132%0.317CS..Hα-helixtrans-55.8-32.3-173.1-58.8-58.7000114.8L320 G325 A331 R338 L341 Y342 M345 K352L320-I327 HydrophobicContact CD2-CD1 3.7Å; G325-I327 PolarHBondContact O-N 3.2Å; G325-I327 VanDerWaalsContact O-N 3.1Å; I327-A331 VanDerWaalsContact O-CB 3.26Å; I327-A331 WeakPolarHBondContact O-CB 3.49Å; I327-A331 PolarHBondContact O-N 3Å; I327-R338 HydrophobicContact CG2-CG 4Å; I327-L341 HydrophobicContact CG2-CD2 4.07Å; I327-Y342 HydrophobicContact CG2-CE2 4.12Å; I327-M345 HydrophobicContact CD1-CE 3.96Å; I327-M345 HydrophobicContact CD1-SD 3.89Å; I327-K352 HydrophobicContact CD1-CB 3.9Å; I327-K352 HydrophobicContact CG1-CB 4.18Å; I327-K352 HydrophobicContact CG1-CD 4.34Å
328N88.7Confident88.1Confident92 Ų9270 Ų7049%0.49233%0.331SS..Hα-helixtrans-66.8-47.8177.9-71.6-13.6000111.1R326 V330 A331 E332 R338R326-N328 PolarHBondContact O-N 3.19Å; R326-N328 VanDerWaalsContact O-N 3.1Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 3.02Å; N328-A331 PolarHBondContact O-N 2.9Å; N328-E332 PolarHBondContact O-N 3.15Å; N328-R338 PolarHBondContact OD1-NH1 3.26Å
329E89.4Confident88.5Confident64 Ų6473.6 Ų73.630%0.29935%0.345SS..Hα-helixtrans-64.2-39.7178.7-57.5179.1-168.300110.9H323 R326 A331 E332 Y333H323-E329 HydrophobicContact CB-CB 4.04Å; H323-E329 IonicContact CE1-OE2 2.7Å; H323-E329 IonicContact CG-OE2 3.79Å; H323-E329 WeakPolarHBondContact ND1-CB 3.36Å; H323-E329 IonicContact ND1-OE2 2.7Å; H323-E329 PolarHBondContact ND1-OE2 2.96Å; R326-E329 HydrophobicContact CB-CB 4.32Å; R326-E329 HydrophobicContact CB-CG 4.09Å; R326-E329 VanDerWaalsContact CD-CD 3.42Å; R326-E329 WeakPolarHBondContact CD-OE1 3.26Å; R326-E329 IonicContact CZ-OE1 3.74Å; R326-E329 IonicContact NE-OE1 3.81Å; R326-E329 IonicContact NH1-OE1 2.84Å; R326-E329 PolarHBondContact NH1-OE1 3.44Å; R326-E329 PolarHBondContact O-N 3.39Å; R326-E329 VanDerWaalsContact O-N 3.08Å; E329-A331 PolarHBondContact O-N 2.93Å; E329-E332 PolarHBondContact O-N 3.33Å; E329-Y333 VanDerWaalsContact O-CB 3.26Å; E329-Y333 WeakPolarHBondContact O-CB 3.49Å; E329-Y333 PolarHBondContact O-N 3.18Å
330V90.2Very high88.8Confident0 Ų078.6 Ų78.60%037%0.367CS..Hα-helixtrans-62.6-42.5175177.90000111.9A319 L320 H323 R326 N328 Y333 L334 L341A319-V330 HydrophobicContact CB-CG1 3.85Å; A319-V330 WeakPolarHBondContact O-CG2 2.97Å; L320-V330 HydrophobicContact CD2-CG2 4.14Å; H323-V330 HydrophobicContact CB-CG2 3.69Å; R326-V330 WeakPolarHBondContact O-CG2 3.42Å; R326-V330 PolarHBondContact O-N 3.44Å; R326-V330 VanDerWaalsContact O-N 3.09Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 3.02Å; V330-Y333 PolarHBondContact O-N 3.35Å; V330-L334 HydrophobicContact CG1-CD1 3.88Å; V330-L334 HydrophobicContact CG1-CG 4.41Å; V330-L334 WeakPolarHBondContact O-CB 3.16Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 2.83Å; V330-L341 HydrophobicContact CB-CD2 4.13Å; V330-L341 HydrophobicContact CG1-CD1 4.38Å; V330-L341 HydrophobicContact CG1-CD2 3.71Å
331A93.6Very high88.9Confident10 Ų1078.6 Ų78.68%0.08337%0.367CS..Hα-helixtrans-66.2-39.1179.200000111.8I327 N328 E329 Q335 I336 R338 L341I327-A331 VanDerWaalsContact O-CB 3.26Å; I327-A331 WeakPolarHBondContact O-CB 3.49Å; I327-A331 PolarHBondContact O-N 3Å; N328-A331 PolarHBondContact O-N 2.9Å; E329-A331 PolarHBondContact O-N 2.93Å; A331-Q335 PolarHBondContact O-N 3.1Å; A331-Q335 VanDerWaalsContact O-N 3.08Å; A331-I336 WeakPolarHBondContact CB-O 3.11Å; A331-I336 PolarHBondContact O-N 3.39Å; A331-R338 HydrophobicContact CB-CB 4.46Å; A331-L341 HydrophobicContact CB-CD2 4.04Å
332E91.6Very high89.5Confident152 Ų15278.4 Ų78.471%0.7136%0.36SS*.Hα-helixtrans-66.9-46.7174-75174.4-171.500111.6N328 E329 L334 Q335N328-E332 PolarHBondContact O-N 3.15Å; E329-E332 PolarHBondContact O-N 3.33Å; E332-L334 PolarHBondContact O-N 3.38Å; E332-Q335 PolarHBondContact O-N 3.05Å; E332-Q335 VanDerWaalsContact O-N 3.09Å
333Y91.3Very high89.9Confident138 Ų13878.7 Ų78.754%0.54136%0.362SS..Hα-helixtrans-59.8-45.7178.9-179.8-103.3000112.4A319 H323 E329 V330 Q335A319-Y333 HydrophobicContact CB-CD1 3.9Å; A319-Y333 HydrophobicContact CB-CE1 4.26Å; H323-Y333 AromaticContact NE2-CD2 3.89Å; H323-Y333 AromaticContact NE2-CG 3.68Å; E329-Y333 VanDerWaalsContact O-CB 3.26Å; E329-Y333 WeakPolarHBondContact O-CB 3.49Å; E329-Y333 PolarHBondContact O-N 3.18Å; V330-Y333 PolarHBondContact O-N 3.35Å; Y333-Q335 PolarHBondContact O-N 2.93Å
334L92Very high90.1Very high36 Ų3680.5 Ų80.519%0.18837%0.368CS..THydrogen-bonded Turntrans-81.5-2.4178.2-64.5179.7000113.5I315 I316 A319 V330 E332 I336 L341I315-L334 HydrophobicContact CG2-CD2 3.53Å; I316-L334 HydrophobicContact CG1-CD1 4.16Å; A319-L334 HydrophobicContact CB-CD1 3.95Å; A319-L334 HydrophobicContact CB-CD2 3.98Å; A319-L334 HydrophobicContact CB-CG 3.94Å; V330-L334 HydrophobicContact CG1-CD1 3.88Å; V330-L334 HydrophobicContact CG1-CG 4.41Å; V330-L334 WeakPolarHBondContact O-CB 3.16Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 2.83Å; E332-L334 PolarHBondContact O-N 3.38Å; L334-I336 VanDerWaalsContact C-N 3.25Å; L334-I336 HydrophobicContact CB-CD1 4.32Å; L334-I336 HydrophobicContact CB-CG1 3.95Å; L334-I336 HydrophobicContact CD1-CD1 4.44Å; L334-I336 PolarHBondContact O-N 3.29Å; L334-L341 HydrophobicContact CD1-CD1 4.34Å
335Q92.6Very high90.5Very high176 Ų17676.1 Ų76.182%0.82235%0.347SS*.THydrogen-bonded Turntrans52.539.9-178-57.1-176.9-4.500113.6A331 E332 Y333A331-Q335 PolarHBondContact O-N 3.1Å; A331-Q335 VanDerWaalsContact O-N 3.08Å; E332-Q335 PolarHBondContact O-N 3.05Å; E332-Q335 VanDerWaalsContact O-N 3.09Å; Y333-Q335 PolarHBondContact O-N 2.93Å
336I92.6Very high90.9Very high28 Ų2884.4 Ų84.414%0.14438%0.383CS..  trans-123.7141.6178.157.8172.6000111.8A331 L334 R338 L341A331-I336 WeakPolarHBondContact CB-O 3.11Å; A331-I336 PolarHBondContact O-N 3.39Å; L334-I336 VanDerWaalsContact C-N 3.25Å; L334-I336 HydrophobicContact CB-CD1 4.32Å; L334-I336 HydrophobicContact CB-CG1 3.95Å; L334-I336 HydrophobicContact CD1-CD1 4.44Å; L334-I336 PolarHBondContact O-N 3.29Å; I336-R338 PolarHBondContact O-N 3.26Å; I336-L341 HydrophobicContact CD1-CB 3.72Å; I336-L341 HydrophobicContact CD1-CD1 3.91Å; I336-L341 HydrophobicContact CD1-CG 4.33Å; I336-L341 HydrophobicContact CG1-CB 4.15Å
337P93.6Very high90.9Very high92 Ų9284.1 Ų84.160%0.59739%0.385SS*.  trans-56.7136.8175.3-25.433.9000111.6K339 K340 L341P337-K339 PolarHBondContact O-N 3.48Å; P337-K340 WeakPolarHBondContact O-CA 3.43Å; P337-K340 WeakPolarHBondContact O-CB 3.5Å; P337-K340 PolarHBondContact O-N 2.87Å; P337-L341 PolarHBondContact O-N 2.83Å; P337-L341 VanDerWaalsContact O-N 3.1Å
338R90.3Very high90.7Very high118 Ų11885 Ų8545%0.44539%0.388SS..Hα-helixtrans-49.6-38.6-178.4-178.6169.1170.3179.2-10113.7I327 N328 A331 I336 K340 L341 Y342I327-R338 HydrophobicContact CG2-CG 4Å; N328-R338 PolarHBondContact OD1-NH1 3.26Å; A331-R338 HydrophobicContact CB-CB 4.46Å; I336-R338 PolarHBondContact O-N 3.26Å; R338-K340 VanDerWaalsContact C-N 3.35Å; R338-K340 PolarHBondContact O-N 3.47Å; R338-L341 PolarHBondContact O-N 2.99Å; R338-Y342 HydrophobicContact CG-CD2 4Å; R338-Y342 HydrophobicContact CG-CE2 3.74Å; R338-Y342 PolarHBondContact NH2-OH 3.38Å; R338-Y342 VanDerWaalsContact O-CD2 3.27Å; R338-Y342 WeakPolarHBondContact O-CD2 3.37Å; R338-Y342 PolarHBondContact O-N 2.89Å
339K91.1Very high90.5Very high170 Ų17083.7 Ų83.774%0.73940%0.396SS*.Hα-helixtrans-62.3-39.2176.5-169.4177.2-179.2-179.40112.5P337 L343P337-K339 PolarHBondContact O-N 3.48Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.22Å
340K91.2Very high90.2Very high105 Ų10581.5 Ų81.546%0.45739%0.387SS..Hα-helixtrans-71.8-39.2178.2-166.6174.6-177.4-179.70111.2P337 R338 L343 R344P337-K340 WeakPolarHBondContact O-CA 3.43Å; P337-K340 WeakPolarHBondContact O-CB 3.5Å; P337-K340 PolarHBondContact O-N 2.87Å; R338-K340 VanDerWaalsContact C-N 3.35Å; R338-K340 PolarHBondContact O-N 3.47Å; K340-L343 PolarHBondContact O-N 2.96Å; K340-R344 WeakPolarHBondContact O-CG 3.38Å; K340-R344 PolarHBondContact O-N 3.08Å
341L91.2Very high89.8Confident0 Ų083.4 Ų83.40%040%0.4CS..Hα-helixtrans-59.6-47.3173.6176.859000111.5I316 I327 V330 A331 L334 I336 P337 R338 L343 R344 M345I316-L341 HydrophobicContact CG1-CD1 4.37Å; I316-L341 HydrophobicContact CG2-CD1 3.99Å; I327-L341 HydrophobicContact CG2-CD2 4.07Å; V330-L341 HydrophobicContact CB-CD2 4.13Å; V330-L341 HydrophobicContact CG1-CD1 4.38Å; V330-L341 HydrophobicContact CG1-CD2 3.71Å; A331-L341 HydrophobicContact CB-CD2 4.04Å; L334-L341 HydrophobicContact CD1-CD1 4.34Å; I336-L341 HydrophobicContact CD1-CB 3.72Å; I336-L341 HydrophobicContact CD1-CD1 3.91Å; I336-L341 HydrophobicContact CD1-CG 4.33Å; I336-L341 HydrophobicContact CG1-CB 4.15Å; P337-L341 PolarHBondContact O-N 2.83Å; P337-L341 VanDerWaalsContact O-N 3.1Å; R338-L341 PolarHBondContact O-N 2.99Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.36Å; L341-R344 PolarHBondContact O-N 3.47Å; L341-M345 HydrophobicContact CD1-CG 4.03Å; L341-M345 HydrophobicContact CD1-SD 4.17Å; L341-M345 HydrophobicContact CG-CG 4.34Å; L341-M345 HydrophobicContact CG-SD 3.97Å; L341-M345 WeakPolarHBondContact O-CB 3.33Å; L341-M345 WeakPolarHBondContact O-CG 3.43Å; L341-M345 PolarHBondContact O-N 2.92Å
342Y91.5Very high89.1Confident82 Ų8286.7 Ų86.732%0.32241%0.412SS..Hα-helixtrans-60.1-38.9176.5-84-63.2000113.6I327 R338 M345 K346I327-Y342 HydrophobicContact CG2-CE2 4.12Å; R338-Y342 HydrophobicContact CG-CD2 4Å; R338-Y342 HydrophobicContact CG-CE2 3.74Å; R338-Y342 PolarHBondContact NH2-OH 3.38Å; R338-Y342 VanDerWaalsContact O-CD2 3.27Å; R338-Y342 WeakPolarHBondContact O-CD2 3.37Å; R338-Y342 PolarHBondContact O-N 2.89Å; Y342-M345 PolarHBondContact O-N 3.4Å; Y342-K346 WeakPolarHBondContact O-CB 3.21Å; Y342-K346 PolarHBondContact O-N 3.12Å
343L90.6Very high88.4Confident111 Ų11186.1 Ų86.158%0.58141%0.41SS*.Hα-helixtrans-63.3-43.2176.4-76.2162000111.4K339 K340 L341 K346 K347K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.22Å; K340-L343 PolarHBondContact O-N 2.96Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.36Å; L343-K346 PolarHBondContact O-N 3.45Å; L343-K347 PolarHBondContact O-N 3.09Å
344R90.3Very high87.7Confident74 Ų7486.1 Ų86.128%0.27941%0.414SS..Hα-helixtrans-65.2-46.4175.9-69.6172.7162.4-139.2-15.7111.4E312 I316 K340 L341 K346 K347 Y348E312-R344 WeakPolarHBondContact OE1-CD 3.48Å; E312-R344 WeakPolarHBondContact OE1-CG 3.34Å; E312-R344 IonicContact OE1-CZ 2.92Å; E312-R344 IonicContact OE1-NE 3.13Å; E312-R344 PolarHBondContact OE1-NE 2.91Å; E312-R344 IonicContact OE1-NH1 3.13Å; E312-R344 PolarHBondContact OE1-NH1 3.1Å; E312-R344 IonicContact OE1-NH2 2.71Å; E312-R344 PolarHBondContact OE1-NH2 3.12Å; E312-R344 IonicContact OE2-CZ 3.01Å; E312-R344 IonicContact OE2-NH1 2.83Å; E312-R344 IonicContact OE2-NH2 3.98Å; E312-R344 PolarHBondContact OE2-NH2 2.97Å; I316-R344 HydrophobicContact CD1-CB 3.73Å; K340-R344 WeakPolarHBondContact O-CG 3.38Å; K340-R344 PolarHBondContact O-N 3.08Å; L341-R344 PolarHBondContact O-N 3.47Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.1Å; R344-K347 WeakPolarHBondContact O-CB 3.26Å; R344-K347 PolarHBondContact O-N 3.25Å; R344-K347 VanDerWaalsContact O-N 3.11Å; R344-Y348 HydrophobicContact CB-CD2 4.49Å; R344-Y348 HydrophobicContact CB-CE2 4.17Å; R344-Y348 WeakPolarHBondContact O-CD2 3.24Å; R344-Y348 PolarHBondContact O-N 3.46Å
345M90.1Very high86.9Confident5 Ų585.9 Ų85.93%0.02541%0.411CS..Hα-helixtrans-56.9-43.4174.1-71.6176.569.100112I316 L320 I327 L341 Y342 Y348 G349 L350 K352I316-M345 HydrophobicContact CG2-CG 4.04Å; L320-M345 HydrophobicContact CD1-CE 3.99Å; L320-M345 HydrophobicContact CD2-CE 4.12Å; L320-M345 HydrophobicContact CD2-SD 4.5Å; I327-M345 HydrophobicContact CD1-CE 3.96Å; I327-M345 HydrophobicContact CD1-SD 3.89Å; L341-M345 HydrophobicContact CD1-CG 4.03Å; L341-M345 HydrophobicContact CD1-SD 4.17Å; L341-M345 HydrophobicContact CG-CG 4.34Å; L341-M345 HydrophobicContact CG-SD 3.97Å; L341-M345 WeakPolarHBondContact O-CB 3.33Å; L341-M345 WeakPolarHBondContact O-CG 3.43Å; L341-M345 PolarHBondContact O-N 2.92Å; Y342-M345 PolarHBondContact O-N 3.4Å; M345-Y348 CarbonylContact O-C 3.56Å; M345-Y348 PolarHBondContact O-N 3.05Å; M345-G349 PolarHBondContact O-N 3.48Å; M345-L350 HydrophobicContact CB-CB 4.16Å; M345-L350 HydrophobicContact CE-CB 4.42Å; M345-L350 HydrophobicContact CG-CB 4.31Å; M345-L350 PolarHBondContact O-N 3.3Å; M345-K352 HydrophobicContact CE-CB 4.43Å
346K89.1Confident85.5Confident176 Ų17683.7 Ų83.777%0.76540%0.399SS*.Hα-helixtrans-64.9-40.5176.3-170.7177.9-178.9-178.90112Y342 L343 R344 Y348 G349Y342-K346 WeakPolarHBondContact O-CB 3.21Å; Y342-K346 PolarHBondContact O-N 3.12Å; L343-K346 PolarHBondContact O-N 3.45Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.1Å; K346-Y348 VanDerWaalsContact C-N 3.26Å; K346-Y348 PolarHBondContact O-N 3.06Å; K346-G349 PolarHBondContact O-N 3.29Å
347K87Confident83.8Confident127 Ų12792.1 Ų92.155%0.55244%0.435SS*.Hα-helixtrans-58.3-39.3175.4-174.6-177.1175.1-172.80111.6E309 L343 R344E309-K347 VanDerWaalsContact OE1-CE 3.23Å; E309-K347 WeakPolarHBondContact OE1-CE 3.43Å; E309-K347 IonicContact OE1-NZ 2.85Å; E309-K347 PolarHBondContact OE1-NZ 2.82Å; L343-K347 PolarHBondContact O-N 3.09Å; R344-K347 WeakPolarHBondContact O-CB 3.26Å; R344-K347 PolarHBondContact O-N 3.25Å; R344-K347 VanDerWaalsContact O-N 3.11Å
348Y86.5Confident83.3Confident29 Ų2992.1 Ų92.111%0.11443%0.427CS..THydrogen-bonded Turntrans-986-176.7-54-55.4000114.9E309 E312 R313 I316 R344 M345 K346 L350E309-Y348 HydrophobicContact CB-CE1 4Å; E309-Y348 HydrophobicContact CG-CE1 4.12Å; E312-Y348 HydrophobicContact CB-CE2 4.36Å; E312-Y348 HydrophobicContact CG-CE2 3.97Å; E312-Y348 PolarHBondContact OE1-OH 3.16Å; E312-Y348 PolarHBondContact OE2-OH 3.35Å; R313-Y348 HydrophobicContact CB-CD1 4.25Å; R313-Y348 HydrophobicContact CB-CD2 4.34Å; R313-Y348 HydrophobicContact CB-CG 4.09Å; R313-Y348 HydrophobicContact CG-CG 4.29Å; I316-Y348 HydrophobicContact CD1-CD2 4.16Å; I316-Y348 HydrophobicContact CD1-CE2 4.12Å; R344-Y348 HydrophobicContact CB-CD2 4.49Å; R344-Y348 HydrophobicContact CB-CE2 4.17Å; R344-Y348 WeakPolarHBondContact O-CD2 3.24Å; R344-Y348 PolarHBondContact O-N 3.46Å; M345-Y348 CarbonylContact O-C 3.56Å; M345-Y348 PolarHBondContact O-N 3.05Å; K346-Y348 VanDerWaalsContact C-N 3.26Å; K346-Y348 PolarHBondContact O-N 3.06Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 3.39Å
349G84Confident82.9Confident64 Ų6490.7 Ų90.766%0.6643%0.426SS*.THydrogen-bonded Turntrans67.623.6-179.700000115M345 K346M345-G349 PolarHBondContact O-N 3.48Å; K346-G349 PolarHBondContact O-N 3.29Å
350L84Confident82.4Confident18 Ų1886.3 Ų86.39%0.09441%0.408CS..  trans-86.6126.2-179.8-59.3175.2000110.8I316 L320 M345 Y348I316-L350 HydrophobicContact CB-CD1 4.13Å; I316-L350 HydrophobicContact CG2-CD1 3.63Å; L320-L350 HydrophobicContact CD1-CB 4.49Å; L320-L350 HydrophobicContact CD1-CD1 4.39Å; M345-L350 HydrophobicContact CB-CB 4.16Å; M345-L350 HydrophobicContact CE-CB 4.42Å; M345-L350 HydrophobicContact CG-CB 4.31Å; M345-L350 PolarHBondContact O-N 3.3Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 3.39Å
351S81.3Confident81.9Confident40 Ų4085.2 Ų85.228%0.2841%0.406SS..  trans-111.1137173.6-177.30000110.8E353 H354 Y355S351-E353 PolarHBondContact O-N 3.31Å; S351-E353 PolarHBondContact OG-N 3.49Å; S351-H354 PolarHBondContact O-N 2.76Å; S351-Y355 WeakPolarHBondContact O-CD2 3.27Å; S351-Y355 WeakPolarHBondContact O-CE2 3.27Å
352K80.1Confident81.4Confident79 Ų7990.6 Ų90.634%0.34343%0.431SS..G310 helixtrans-61.3-23.5177.871.3-177.4179.3-179.70113.4I327 M345 H354 Y355I327-K352 HydrophobicContact CD1-CB 3.9Å; I327-K352 HydrophobicContact CG1-CB 4.18Å; I327-K352 HydrophobicContact CG1-CD 4.34Å; M345-K352 HydrophobicContact CE-CB 4.43Å; K352-H354 VanDerWaalsContact C-N 3.27Å; K352-H354 PolarHBondContact O-N 3.18Å; K352-Y355 PolarHBondContact O-N 2.84Å
353E75.8Confident80.7Confident140 Ų14091.1 Ų91.165%0.65444%0.438SS*.G310 helixtrans-71.6-25.6-175.8-67176-178.700112S351 Y355S351-E353 PolarHBondContact O-N 3.31Å; S351-E353 PolarHBondContact OG-N 3.49Å; E353-Y355 PolarHBondContact O-N 3.39Å
354H75.9Confident80Confident138 Ų13889.7 Ų89.764%0.63943%0.428SS*.G310 helixtrans-74.7-8.4178.3-57.8163.3000113.8S351 K352S351-H354 PolarHBondContact O-N 2.76Å; K352-H354 VanDerWaalsContact C-N 3.27Å; K352-H354 PolarHBondContact O-N 3.18Å
355Y75.9Confident79.2Confident32 Ų3290.9 Ų90.913%0.12544%0.439CS..G310 helixtrans-120.72.5-171.8-59.2-75.4000113.3T317 L320 N321 Q324 G325 S351 K352 E353T317-Y355 HydrophobicContact CG2-CE1 4.04Å; L320-Y355 HydrophobicContact CB-CD1 4.18Å; L320-Y355 HydrophobicContact CB-CD2 4Å; L320-Y355 HydrophobicContact CB-CE2 4.36Å; L320-Y355 HydrophobicContact CB-CG 3.9Å; L320-Y355 HydrophobicContact CD1-CD2 3.99Å; L320-Y355 HydrophobicContact CD1-CE2 3.83Å; L320-Y355 HydrophobicContact CG-CD2 4.42Å; N321-Y355 WeakPolarHBondContact OD1-CD1 3.42Å; N321-Y355 WeakPolarHBondContact OD1-CE1 3.26Å; Q324-Y355 CarbonylContact C-O 2.99Å; Q324-Y355 VanDerWaalsContact CA-O 3.27Å; Q324-Y355 WeakPolarHBondContact CA-O 3.21Å; G325-Y355 PolarHBondContact N-O 3.41Å; S351-Y355 WeakPolarHBondContact O-CD2 3.27Å; S351-Y355 WeakPolarHBondContact O-CE2 3.27Å; K352-Y355 PolarHBondContact O-N 2.84Å; E353-Y355 PolarHBondContact O-N 3.39Å
356K64.5Low78.3Confident129 Ų12998.1 Ų98.156%0.56147%0.474SS*.  trans-89.3108174.1-74.7-174.4171.9-164.90108.9
357F55.1Low77.3Confident205 Ų20591 Ų9190%0.89945%0.447SS*.  trans-90.50162.1-73.2-80.5000110.4G284G284-F357 WeakPolarHBondContact O-CZ 2.98Å

Retrieved 357 of 357 residues in 600.5 ms (Link to these results)

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