A0A087YC12_POEFO Loading...

F-box protein 7

AlphaFold DB , UniProt , Accession A0A087YC12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 464 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
1M63Low75.8Confident143 Ų14384.5 Ų84.570%0.70437%0.367SS*.  01170-165.3-179.4-15900108.4E16 L17 G19M1-E16 HydrophobicContact CE-CB 3.94Å; M1-L17 VanDerWaalsContact CA-O 3.29Å; M1-L17 WeakPolarHBondContact CA-O 3.29Å; M1-L17 WeakPolarHBondContact CG-O 3.49Å; M1-G19 WeakPolarHBondContact CA-O 3.34Å; M1-G19 PolarHBondContact N-O 3.25Å
2M74.9Confident76.3Confident23 Ų2385.2 Ų85.211%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-108.3132.6-170.9-169.2179.2-173.900109.6L4 E16 L17 P22 L64 I69M2-L4 HydrophobicContact CE-CD1 4.45Å; M2-L4 HydrophobicContact CE-CD2 4.2Å; M2-L4 HydrophobicContact CG-CG 4.38Å; M2-L4 HydrophobicContact SD-CD1 4.34Å; M2-E16 WeakPolarHBondContact O-CA 3.39Å; M2-L17 PolarHBondContact N-O 2.92Å; M2-L17 VanDerWaalsContact N-O 3.11Å; M2-L17 PolarHBondContact O-N 3.4Å; M2-P22 HydrophobicContact CB-CG 4.24Å; M2-P22 HydrophobicContact SD-CG 3.86Å; M2-L64 HydrophobicContact CE-CB 4.15Å; M2-L64 HydrophobicContact CE-CD1 4.45Å; M2-L64 HydrophobicContact SD-CB 4.19Å; M2-L64 HydrophobicContact SD-CD1 3.84Å; M2-I69 HydrophobicContact CE-CB 4.29Å; M2-I69 HydrophobicContact CE-CG2 3.91Å; M2-I69 WeakPolarHBondContact CE-O 3.11Å
3K80.1Confident76.3Confident108 Ų10880.7 Ų80.747%0.4737%0.368SS..EExtended strand (participates in β ladder)trans-107.1124.6-179.8-56.3-164.9-178.2-139.90109.7E16 S71 G72K3-E16 HydrophobicContact CD-CG 4.35Å; K3-E16 WeakPolarHBondContact CD-OE1 3.45Å; K3-E16 WeakPolarHBondContact CE-OE1 3.4Å; K3-E16 HydrophobicContact CG-CG 4.13Å; K3-E16 IonicContact NZ-OE1 3.27Å; K3-E16 PolarHBondContact NZ-OE1 3.31Å; K3-E16 IonicContact NZ-OE2 3.73Å; K3-E16 PolarHBondContact NZ-OE2 2.9Å; K3-E16 VanDerWaalsContact NZ-OE2 3.14Å; K3-S71 PolarHBondContact N-OG 2.96Å; K3-S71 CarbonylContact O-C 3.54Å; K3-S71 WeakPolarHBondContact O-CA 3.34Å; K3-S71 PolarHBondContact O-OG 3.11Å; K3-G72 PolarHBondContact O-N 3.2Å
4L81.6Confident76.6Confident4 Ų490.6 Ų90.62%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-127.3154.8-176.4-70.4169.8000111.2M2 R14 V15 L17 L27 L64 I69 V70 D73 I75M2-L4 HydrophobicContact CE-CD1 4.45Å; M2-L4 HydrophobicContact CE-CD2 4.2Å; M2-L4 HydrophobicContact CG-CG 4.38Å; M2-L4 HydrophobicContact SD-CD1 4.34Å; L4-R14 WeakPolarHBondContact O-CA 3.44Å; L4-V15 PolarHBondContact N-O 2.95Å; L4-V15 PolarHBondContact O-N 3.39Å; L4-L17 HydrophobicContact CD1-CD1 3.89Å; L4-L27 HydrophobicContact CD1-CD1 3.58Å; L4-L64 HydrophobicContact CD1-CD1 3.91Å; L4-I69 HydrophobicContact CD2-CG2 3.84Å; L4-V70 WeakPolarHBondContact CD2-O 3.39Å; L4-D73 HydrophobicContact CD2-CB 4.22Å; L4-I75 HydrophobicContact CD1-CD1 3.94Å; L4-I75 HydrophobicContact CD2-CD1 4.4Å
5R79.9Confident76.8Confident125 Ų12585.3 Ų85.347%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-106.2121.3172.1-67.1177.3-75.5175.8-2.7107.8S13 G72 D73 L74 I75R5-S13 WeakPolarHBondContact CA-O 3.37Å; R5-G72 VanDerWaalsContact CZ-O 3.23Å; R5-G72 PolarHBondContact NE-O 2.9Å; R5-G72 PolarHBondContact NH2-O 2.99Å; R5-D73 PolarHBondContact N-O 2.94Å; R5-L74 HydrophobicContact CB-CD1 3.67Å; R5-L74 CarbonylContact O-C 3.55Å; R5-L74 WeakPolarHBondContact O-CA 3.33Å; R5-I75 PolarHBondContact O-N 3.28Å
6V81.1Confident76.8Confident1 Ų185.3 Ų85.31%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-108.2135.2179.2-177.40000108.7I8 T12 S13 V15 I31 L35 I75 V77V6-I8 HydrophobicContact CG1-CD1 4.32Å; V6-I8 HydrophobicContact CG1-CG1 4.43Å; V6-T12 CarbonylContact O-C 3.51Å; V6-T12 VanDerWaalsContact O-CA 3.29Å; V6-T12 WeakPolarHBondContact O-CA 3.19Å; V6-S13 PolarHBondContact N-O 3.5Å; V6-S13 PolarHBondContact O-N 3.07Å; V6-S13 PolarHBondContact O-OG 3.2Å; V6-V15 HydrophobicContact CB-CG2 4.36Å; V6-V15 HydrophobicContact CG2-CB 4.31Å; V6-V15 HydrophobicContact CG2-CG2 3.76Å; V6-I31 HydrophobicContact CG1-CD1 3.85Å; V6-I31 HydrophobicContact CG1-CG1 4.28Å; V6-I31 HydrophobicContact CG2-CD1 4.23Å; V6-L35 HydrophobicContact CB-CD1 3.7Å; V6-L35 HydrophobicContact CG1-CD1 3.63Å; V6-L35 HydrophobicContact CG2-CD1 4.24Å; V6-I75 CarbonylContact C-O 3.55Å; V6-I75 WeakPolarHBondContact CA-O 3.4Å; V6-V77 HydrophobicContact CG1-CG2 3.5Å; V6-V77 VanDerWaalsContact CG1-CG2 3.5Å
7R78.2Confident76.6Confident96 Ų9680.5 Ų80.536%0.36236%0.359SS..EExtended strand (participates in β ladder)trans-116.4116.3-177.8-164.7177.2-165.9-165.31.9111.5R10 Q11 T12 L74 I75 V77R7-R10 PolarHBondContact NE-O 2.78Å; R7-R10 PolarHBondContact NH2-O 3.3Å; R7-Q11 CarbonylContact C-O 3.49Å; R7-Q11 VanDerWaalsContact CA-O 3.24Å; R7-Q11 WeakPolarHBondContact CA-O 3.4Å; R7-Q11 WeakPolarHBondContact CG-O 3.42Å; R7-T12 HydrophobicContact CB-CG2 4.01Å; R7-T12 HydrophobicContact CG-CG2 3.72Å; R7-L74 HydrophobicContact CB-CD1 4.16Å; R7-I75 PolarHBondContact N-O 3.07Å; R7-V77 PolarHBondContact O-N 2.6Å
8I79.9Confident75.7Confident1 Ų182.3 Ų82.31%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-124.1130.8176.6-66.5156.5000107.4V6 R10 Q11 I31 L35 H39 L41 V77 L79V6-I8 HydrophobicContact CG1-CD1 4.32Å; V6-I8 HydrophobicContact CG1-CG1 4.43Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.83Å; I8-R10 VanDerWaalsContact O-N 3.09Å; I8-Q11 PolarHBondContact N-O 3.27Å; I8-Q11 PolarHBondContact O-N 2.99Å; I8-I31 HydrophobicContact CD1-CG2 4.37Å; I8-L35 HydrophobicContact CD1-CB 3.58Å; I8-L35 HydrophobicContact CD1-CD1 3.88Å; I8-L35 HydrophobicContact CD1-CG 4.4Å; I8-H39 HydrophobicContact CG2-CB 4.29Å; I8-L41 HydrophobicContact CG2-CD1 4.48Å; I8-V77 HydrophobicContact CD1-CG2 4.13Å; I8-V77 HydrophobicContact CG1-CB 3.59Å; I8-V77 HydrophobicContact CG1-CG1 4.15Å; I8-V77 HydrophobicContact CG1-CG2 3.59Å; I8-L79 HydrophobicContact CG2-CD1 4.13Å
9N69.3Low74.9Confident98 Ų9879.6 Ų79.652%0.52438%0.377SS..THydrogen-bonded Turntrans42.750178.3-73-23.7000114.4Q11N9-Q11 PolarHBondContact O-N 3.41Å; N9-Q11 VanDerWaalsContact O-N 3.1Å
10R71.8Confident74Confident212 Ų21285.4 Ų85.480%0.840%0.403SS*.THydrogen-bonded Turntrans67.9-14.5-176.5-57173.866.4156.40.4116.5R7 I8R7-R10 PolarHBondContact NE-O 2.78Å; R7-R10 PolarHBondContact NH2-O 3.3Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.83Å; I8-R10 VanDerWaalsContact O-N 3.09Å
11Q74.1Confident73.5Confident119 Ų11988.1 Ų88.156%0.55642%0.416SS*.EExtended strand (participates in β ladder)trans-79.5146.2174.1-61.1-176.8-6.100111R7 I8 N9 H39R7-Q11 CarbonylContact C-O 3.49Å; R7-Q11 VanDerWaalsContact CA-O 3.24Å; R7-Q11 WeakPolarHBondContact CA-O 3.4Å; R7-Q11 WeakPolarHBondContact CG-O 3.42Å; I8-Q11 PolarHBondContact N-O 3.27Å; I8-Q11 PolarHBondContact O-N 2.99Å; N9-Q11 PolarHBondContact O-N 3.41Å; N9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-H39 PolarHBondContact OE1-CE1 3.38Å; Q11-H39 PolarHBondContact OE1-ND1 3.35Å
12T81.9Confident73.8Confident92 Ų9281.7 Ų81.756%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-120.9116-179.4520000111.6V6 R7 L74V6-T12 CarbonylContact O-C 3.51Å; V6-T12 VanDerWaalsContact O-CA 3.29Å; V6-T12 WeakPolarHBondContact O-CA 3.19Å; R7-T12 HydrophobicContact CB-CG2 4.01Å; R7-T12 HydrophobicContact CG-CG2 3.72Å; T12-L74 HydrophobicContact CG2-CD1 3.97Å
13S76.6Confident74Confident27 Ų2782.4 Ų82.419%0.18939%0.391CS..EExtended strand (participates in β ladder)trans-96.9162.8171.8620000111.1R5 V6 L35R5-S13 WeakPolarHBondContact CA-O 3.37Å; V6-S13 PolarHBondContact N-O 3.5Å; V6-S13 PolarHBondContact O-N 3.07Å; V6-S13 PolarHBondContact O-OG 3.2Å; S13-L35 WeakPolarHBondContact OG-CD1 3.38Å; S13-L35 VanDerWaalsContact OG-CD2 3.25Å; S13-L35 WeakPolarHBondContact OG-CD2 3.41Å
14R79.9Confident73.7Confident220 Ų22077.8 Ų77.883%0.8337%0.371SS*.EExtended strand (participates in β ladder)trans-108.3129.9171.9-68.3-179.3178.8128.8-1.8108.4L4L4-R14 WeakPolarHBondContact O-CA 3.44Å
15V78.9Confident73.3Confident11 Ų1182 Ų827%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-120.5134.5177.8-178.90000108.3L4 V6 L30 L35L4-V15 PolarHBondContact N-O 2.95Å; L4-V15 PolarHBondContact O-N 3.39Å; V6-V15 HydrophobicContact CB-CG2 4.36Å; V6-V15 HydrophobicContact CG2-CB 4.31Å; V6-V15 HydrophobicContact CG2-CG2 3.76Å; V15-L30 HydrophobicContact CG1-CD1 3.87Å; V15-L30 HydrophobicContact CG1-CD2 3.9Å; V15-L30 HydrophobicContact CG1-CG 4.43Å; V15-L35 HydrophobicContact CG2-CD1 3.85Å; V15-L35 HydrophobicContact CG2-CD2 4.48Å; V15-L35 HydrophobicContact CG2-CG 4.37Å
16E76.9Confident73Confident84 Ų8481.1 Ų81.139%0.39339%0.392SS..EExtended strand (participates in β ladder)trans-113.7120.6175.2-50.5-162.5167.100108.9M1 M2 K3M1-E16 HydrophobicContact CE-CB 3.94Å; M2-E16 WeakPolarHBondContact O-CA 3.39Å; K3-E16 HydrophobicContact CD-CG 4.35Å; K3-E16 WeakPolarHBondContact CD-OE1 3.45Å; K3-E16 WeakPolarHBondContact CE-OE1 3.4Å; K3-E16 HydrophobicContact CG-CG 4.13Å; K3-E16 IonicContact NZ-OE1 3.27Å; K3-E16 PolarHBondContact NZ-OE1 3.31Å; K3-E16 IonicContact NZ-OE2 3.73Å; K3-E16 PolarHBondContact NZ-OE2 2.9Å; K3-E16 VanDerWaalsContact NZ-OE2 3.14Å
17L74.1Confident72.8Confident5 Ų581.2 Ų81.23%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-95.5120.8-178.7-71.6166.1000110.5M1 M2 L4 G19 P22 L27 L30 L64M1-L17 VanDerWaalsContact CA-O 3.29Å; M1-L17 WeakPolarHBondContact CA-O 3.29Å; M1-L17 WeakPolarHBondContact CG-O 3.49Å; M2-L17 PolarHBondContact N-O 2.92Å; M2-L17 VanDerWaalsContact N-O 3.11Å; M2-L17 PolarHBondContact O-N 3.4Å; L4-L17 HydrophobicContact CD1-CD1 3.89Å; L17-G19 PolarHBondContact O-N 3.27Å; L17-P22 HydrophobicContact CB-CB 4.11Å; L17-P22 HydrophobicContact CB-CG 4.27Å; L17-P22 HydrophobicContact CD1-CB 4.03Å; L17-P22 HydrophobicContact CD1-CG 4.28Å; L17-L27 HydrophobicContact CD1-CB 4.16Å; L17-L27 HydrophobicContact CD1-CD1 4Å; L17-L27 HydrophobicContact CD1-CG 4.36Å; L17-L30 HydrophobicContact CD2-CD1 3.58Å; L17-L64 HydrophobicContact CD1-CD1 3.61Å
18P60.8Low72.8Confident112 Ų11278 Ų7873%0.72738%0.384SS*.  trans-79104.6175.131.4-31.9000110.3
19G59.1Low72.6Confident32 Ų3281.8 Ų81.833%0.3341%0.405SS..SBendtrans169.2166.1177.900000112M1 L17M1-G19 WeakPolarHBondContact CA-O 3.34Å; M1-G19 PolarHBondContact N-O 3.25Å; L17-G19 PolarHBondContact O-N 3.27Å
20E58.3Low73Confident194 Ų19479 Ų7991%0.90739%0.39SS*.SBendtrans-88.9-38.9165.7-73.6-172.2133.400111.3
21E62.3Low73.2Confident143 Ų14369 Ų6967%0.66835%0.352SS*.SBendtrans-128.571.1177.2-63-17116600112.3T63E21-T63 HydrophobicContact CB-CG2 4.47Å
22P71Confident73.3Confident9 Ų967 Ų676%0.05834%0.342CS..  trans-62.3146.6176.125.3-34.2000112.8M2 L17 E26 L64M2-P22 HydrophobicContact CB-CG 4.24Å; M2-P22 HydrophobicContact SD-CG 3.86Å; L17-P22 HydrophobicContact CB-CB 4.11Å; L17-P22 HydrophobicContact CB-CG 4.27Å; L17-P22 HydrophobicContact CD1-CB 4.03Å; L17-P22 HydrophobicContact CD1-CG 4.28Å; P22-E26 WeakPolarHBondContact CA-OE2 3.36Å; P22-L64 HydrophobicContact CB-CD1 4.11Å; P22-L64 HydrophobicContact CG-CD1 3.93Å; P22-L64 WeakPolarHBondContact O-CG 3.45Å; P22-L64 PolarHBondContact O-N 2.94Å
23T77.4Confident72.8Confident37 Ų3769.8 Ų69.823%0.22735%0.348CS..BIsolated β-bridgetrans-100.5159.8179.858.10000113.1Q25 E26 L27T23-Q25 PolarHBondContact O-N 2.73Å; T23-E26 PolarHBondContact N-OE2 3.04Å; T23-E26 PolarHBondContact O-N 2.86Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.48Å; T23-E26 PolarHBondContact OG1-N 3.44Å; T23-E26 PolarHBondContact OG1-OE2 3.11Å; T23-L27 PolarHBondContact O-N 2.74Å; T23-L27 VanDerWaalsContact O-N 3.12Å
24L73.6Confident72.4Confident12 Ų1271.2 Ų71.26%0.06336%0.356CS..Hα-helixtrans-59.9-32.8173.6-82.2171.5000113S28 L49 L57 E59 Q62 L64 C67 I69L24-S28 WeakPolarHBondContact O-CB 3.28Å; L24-S28 PolarHBondContact O-N 3.31Å; L24-S28 PolarHBondContact O-OG 3.49Å; L24-L49 HydrophobicContact CD2-CD1 4.3Å; L24-L57 HydrophobicContact CD2-CD1 4.18Å; L24-E59 WeakPolarHBondContact CD1-O 3.33Å; L24-Q62 PolarHBondContact N-O 3.42Å; L24-L64 HydrophobicContact CD2-CD2 3.47Å; L24-L64 VanDerWaalsContact CD2-CD2 3.47Å; L24-L64 HydrophobicContact CG-CD2 3.78Å; L24-C67 VanDerWaalsContact CD1-SG 3.59Å; L24-I69 HydrophobicContact CD2-CD1 4.45Å
25Q73.1Confident72Confident92 Ų9261.1 Ų61.143%0.4332%0.318SS..Hα-helixtrans-64.3-47.5174.6-91.3170.435.300112.3T23 L27 S28 N29 S60T23-Q25 PolarHBondContact O-N 2.73Å; Q25-L27 VanDerWaalsContact C-N 3.33Å; Q25-L27 PolarHBondContact O-N 3.12Å; Q25-S28 PolarHBondContact O-N 3.28Å; Q25-S28 PolarHBondContact O-OG 3.01Å; Q25-N29 WeakPolarHBondContact O-CB 3.48Å; Q25-N29 VanDerWaalsContact O-CG 3.3Å; Q25-N29 PolarHBondContact O-N 3.14Å; Q25-N29 PolarHBondContact O-ND2 3.11Å; Q25-S60 WeakPolarHBondContact CG-O 3.49Å; Q25-S60 PolarHBondContact NE2-O 3.34Å; Q25-S60 VanDerWaalsContact NE2-O 3.07Å; Q25-S60 PolarHBondContact NE2-OG 3.18Å
26E75.4Confident71.6Confident106 Ų10660.6 Ų60.650%0.49532%0.315SS..Hα-helixtrans-61.4-42.6177.1-70.6163.3151.300111.8P22 T23 N29 L30P22-E26 WeakPolarHBondContact CA-OE2 3.36Å; T23-E26 PolarHBondContact N-OE2 3.04Å; T23-E26 PolarHBondContact O-N 2.86Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.48Å; T23-E26 PolarHBondContact OG1-N 3.44Å; T23-E26 PolarHBondContact OG1-OE2 3.11Å; E26-N29 PolarHBondContact O-N 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.26Å; E26-L30 PolarHBondContact O-N 3.1Å
27L77.3Confident71.1Confident3 Ų360.1 Ų60.12%0.01632%0.321CS..Hα-helixtrans-60.9-46.3175-179.7151.7000111.5L4 L17 T23 Q25 L30 I31 L49 L64 I75L4-L27 HydrophobicContact CD1-CD1 3.58Å; L17-L27 HydrophobicContact CD1-CB 4.16Å; L17-L27 HydrophobicContact CD1-CD1 4Å; L17-L27 HydrophobicContact CD1-CG 4.36Å; T23-L27 PolarHBondContact O-N 2.74Å; T23-L27 VanDerWaalsContact O-N 3.12Å; Q25-L27 VanDerWaalsContact C-N 3.33Å; Q25-L27 PolarHBondContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 3.21Å; L27-I31 HydrophobicContact CD2-CD1 3.49Å; L27-I31 VanDerWaalsContact CD2-CD1 3.49Å; L27-I31 HydrophobicContact CD2-CG1 4.42Å; L27-I31 HydrophobicContact CG-CD1 4.27Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 3.23Å; L27-L49 HydrophobicContact CD2-CD1 3.43Å; L27-L49 VanDerWaalsContact CD2-CD1 3.43Å; L27-L49 HydrophobicContact CD2-CD2 4.38Å; L27-L64 HydrophobicContact CB-CD1 4.48Å; L27-L64 HydrophobicContact CB-CD2 4.49Å; L27-L64 HydrophobicContact CD1-CD1 3.75Å; L27-L64 HydrophobicContact CD1-CD2 3.91Å; L27-I75 HydrophobicContact CD1-CD1 3.56Å
28S77.5Confident70.7Confident28 Ų2866.1 Ų66.120%0.19635%0.353CS..Hα-helixtrans-66.7-37.9178.766.90000112.7L24 Q25 I31 K32L24-S28 WeakPolarHBondContact O-CB 3.28Å; L24-S28 PolarHBondContact O-N 3.31Å; L24-S28 PolarHBondContact O-OG 3.49Å; Q25-S28 PolarHBondContact O-N 3.28Å; Q25-S28 PolarHBondContact O-OG 3.01Å; S28-I31 PolarHBondContact O-N 3.43Å; S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 3.39Å
29N76.1Confident70.9Confident81 Ų8163 Ų6343%0.43333%0.329SS..Hα-helixtrans-65.4-39.8175.4-73.1-28.1000112.2Q25 E26 K32 Q33Q25-N29 WeakPolarHBondContact O-CB 3.48Å; Q25-N29 VanDerWaalsContact O-CG 3.3Å; Q25-N29 PolarHBondContact O-N 3.14Å; Q25-N29 PolarHBondContact O-ND2 3.11Å; E26-N29 PolarHBondContact O-N 3.31Å; N29-K32 PolarHBondContact O-N 3.32Å; N29-Q33 WeakPolarHBondContact O-CG 3.49Å; N29-Q33 PolarHBondContact O-N 3.03Å
30L76.6Confident71.1Confident41 Ų4165 Ų6522%0.21535%0.349CS..Hα-helixtrans-65.9-43.8175.8-152.4171.7000110.7V15 L17 E26 L27 K32 Q33 T34V15-L30 HydrophobicContact CG1-CD1 3.87Å; V15-L30 HydrophobicContact CG1-CD2 3.9Å; V15-L30 HydrophobicContact CG1-CG 4.43Å; L17-L30 HydrophobicContact CD2-CD1 3.58Å; E26-L30 WeakPolarHBondContact O-CB 3.26Å; E26-L30 PolarHBondContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 3.21Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.14Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-T34 HydrophobicContact CD2-CG2 3.89Å; L30-T34 WeakPolarHBondContact CD2-OG1 3.14Å; L30-T34 PolarHBondContact O-N 2.93Å; L30-T34 PolarHBondContact O-OG1 3.06Å
31I77.1Confident71.5Confident1 Ų158.1 Ų58.11%0.00532%0.318CS..Iπ-helixtrans-58.1-41.9173.5-67.5174000111.3V6 I8 L27 S28 Q33 L35 L36 F47 L49 V77V6-I31 HydrophobicContact CG1-CD1 3.85Å; V6-I31 HydrophobicContact CG1-CG1 4.28Å; V6-I31 HydrophobicContact CG2-CD1 4.23Å; I8-I31 HydrophobicContact CD1-CG2 4.37Å; L27-I31 HydrophobicContact CD2-CD1 3.49Å; L27-I31 VanDerWaalsContact CD2-CD1 3.49Å; L27-I31 HydrophobicContact CD2-CG1 4.42Å; L27-I31 HydrophobicContact CG-CD1 4.27Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 3.23Å; S28-I31 PolarHBondContact O-N 3.43Å; I31-Q33 PolarHBondContact O-N 3.38Å; I31-L35 HydrophobicContact CG1-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CB 4.35Å; I31-L35 HydrophobicContact CG2-CD1 4.5Å; I31-L35 PolarHBondContact O-N 3.02Å; I31-L35 VanDerWaalsContact O-N 3.14Å; I31-L36 PolarHBondContact O-N 3.49Å; I31-F47 HydrophobicContact CB-CZ 3.93Å; I31-F47 HydrophobicContact CG2-CE1 3.95Å; I31-F47 HydrophobicContact CG2-CE2 4.11Å; I31-F47 HydrophobicContact CG2-CZ 3.58Å; I31-L49 HydrophobicContact CD1-CD2 3.89Å; I31-V77 HydrophobicContact CD1-CG2 4.19Å; I31-V77 HydrophobicContact CG2-CG2 4.33Å
32K75.9Confident71.4Confident77 Ų7754.8 Ų54.834%0.33531%0.311SS..Iπ-helixtrans-61.2-41.7176.1-78.6-173.7175.6-166.40113.2S28 N29 L30 L36 F47S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 3.39Å; N29-K32 PolarHBondContact O-N 3.32Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.14Å; K32-L36 HydrophobicContact CB-CD1 4.32Å; K32-L36 HydrophobicContact CG-CD1 4.03Å; K32-F47 HydrophobicContact CD-CE1 4.46Å; K32-F47 HydrophobicContact CG-CE1 3.55Å; K32-F47 HydrophobicContact CG-CZ 3.99Å
33Q70.7Confident70.8Confident151 Ų15156.9 Ų56.971%0.70633%0.329SS*.Iπ-helixtrans-81.7-35.1-173.2-71.7178.1-0.100114N29 L30 I31 S37N29-Q33 WeakPolarHBondContact O-CG 3.49Å; N29-Q33 PolarHBondContact O-N 3.03Å; L30-Q33 PolarHBondContact O-N 3.01Å; I31-Q33 PolarHBondContact O-N 3.38Å; Q33-S37 PolarHBondContact O-OG 2.87Å
34T68.3Low69.9Low56 Ų5661.9 Ų61.934%0.34435%0.354SS..Iπ-helixtrans-105.5-58.4-176.462.10000111.9L30 S37 D38L30-T34 HydrophobicContact CD2-CG2 3.89Å; L30-T34 WeakPolarHBondContact CD2-OG1 3.14Å; L30-T34 PolarHBondContact O-N 2.93Å; L30-T34 PolarHBondContact O-OG1 3.06Å; T34-S37 PolarHBondContact O-N 3.04Å; T34-D38 PolarHBondContact O-N 3.05Å
35L71.1Confident69.5Low8 Ų863.1 Ų63.14%0.04236%0.363CS..Iπ-helixtrans-75.7-35-167.6-60-173000113.9V6 I8 S13 V15 I31 S37 D38 H39V6-L35 HydrophobicContact CB-CD1 3.7Å; V6-L35 HydrophobicContact CG1-CD1 3.63Å; V6-L35 HydrophobicContact CG2-CD1 4.24Å; I8-L35 HydrophobicContact CD1-CB 3.58Å; I8-L35 HydrophobicContact CD1-CD1 3.88Å; I8-L35 HydrophobicContact CD1-CG 4.4Å; S13-L35 WeakPolarHBondContact OG-CD1 3.38Å; S13-L35 VanDerWaalsContact OG-CD2 3.25Å; S13-L35 WeakPolarHBondContact OG-CD2 3.41Å; V15-L35 HydrophobicContact CG2-CD1 3.85Å; V15-L35 HydrophobicContact CG2-CD2 4.48Å; V15-L35 HydrophobicContact CG2-CG 4.37Å; I31-L35 HydrophobicContact CG1-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CB 4.35Å; I31-L35 HydrophobicContact CG2-CD1 4.5Å; I31-L35 PolarHBondContact O-N 3.02Å; I31-L35 VanDerWaalsContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 2.93Å; L35-D38 PolarHBondContact O-N 2.96Å; L35-H39 WeakPolarHBondContact O-CB 2.99Å; L35-H39 PolarHBondContact O-CD2 3.05Å; L35-H39 PolarHBondContact O-N 3.44Å
36L70.9Confident69.3Low0 Ų066.3 Ų66.30%038%0.377CS..Hα-helixtrans-62-43.1174.1-67.4-174.5000111I31 K32 H39 G40 L41 T45 F47I31-L36 PolarHBondContact O-N 3.49Å; K32-L36 HydrophobicContact CB-CD1 4.32Å; K32-L36 HydrophobicContact CG-CD1 4.03Å; L36-H39 CarbonylContact O-C 3.5Å; L36-H39 PolarHBondContact O-N 3.38Å; L36-G40 PolarHBondContact O-N 3.47Å; L36-G40 VanDerWaalsContact O-N 3.12Å; L36-L41 HydrophobicContact CB-CB 4.17Å; L36-L41 HydrophobicContact CD2-CB 4.12Å; L36-L41 HydrophobicContact CD2-CD1 3.87Å; L36-L41 PolarHBondContact O-N 3.14Å; L36-T45 WeakPolarHBondContact CD1-OG1 3.42Å; L36-F47 HydrophobicContact CD1-CD1 4.26Å; L36-F47 HydrophobicContact CD1-CE1 4.04Å; L36-F47 HydrophobicContact CD2-CD1 4.3Å; L36-F47 HydrophobicContact CD2-CE1 4.46Å; L36-F47 HydrophobicContact CG-CE1 4.41Å
37S67.1Low69.2Low75 Ų7562.9 Ų62.952%0.52436%0.361SS..Hα-helixtrans-61.7-47.3176.4-550000112.3Q33 T34 L35 H39 G40Q33-S37 PolarHBondContact O-OG 2.87Å; T34-S37 PolarHBondContact O-N 3.04Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 2.93Å; S37-H39 PolarHBondContact O-N 3.02Å; S37-G40 PolarHBondContact O-N 3.31Å; S37-G40 VanDerWaalsContact O-N 3.1Å
38D65.9Low69.1Low130 Ų13064.8 Ų64.870%0.69537%0.374SS*.Hα-helixtrans-62.9-26.3177.2-73.5-18.7000113.2T34 L35T34-D38 PolarHBondContact O-N 3.05Å; L35-D38 PolarHBondContact O-N 2.96Å
39H64.7Low69.1Low48 Ų4864.1 Ų64.122%0.22237%0.369CS..THydrogen-bonded Turntrans-97.18.4176.7-66-53.8000114.2I8 Q11 L35 L36 S37 L41I8-H39 HydrophobicContact CG2-CB 4.29Å; Q11-H39 PolarHBondContact OE1-CE1 3.38Å; Q11-H39 PolarHBondContact OE1-ND1 3.35Å; L35-H39 WeakPolarHBondContact O-CB 2.99Å; L35-H39 PolarHBondContact O-CD2 3.05Å; L35-H39 PolarHBondContact O-N 3.44Å; L36-H39 CarbonylContact O-C 3.5Å; L36-H39 PolarHBondContact O-N 3.38Å; S37-H39 PolarHBondContact O-N 3.02Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 HydrophobicContact CB-CD1 4.32Å; H39-L41 PolarHBondContact O-N 2.67Å
40G62.4Low69.2Low73 Ų7360.3 Ų60.375%0.75335%0.348SS*.THydrogen-bonded Turntrans72.122.7175.400000115L36 S37L36-G40 PolarHBondContact O-N 3.47Å; L36-G40 VanDerWaalsContact O-N 3.12Å; S37-G40 PolarHBondContact O-N 3.31Å; S37-G40 VanDerWaalsContact O-N 3.1Å
41L66.2Low68.9Low50 Ų5060.8 Ų60.826%0.26235%0.351SS..  trans-101147.3179.5-65.2164000110.5I8 L36 H39 T45 L79I8-L41 HydrophobicContact CG2-CD1 4.48Å; L36-L41 HydrophobicContact CB-CB 4.17Å; L36-L41 HydrophobicContact CD2-CB 4.12Å; L36-L41 HydrophobicContact CD2-CD1 3.87Å; L36-L41 PolarHBondContact O-N 3.14Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 HydrophobicContact CB-CD1 4.32Å; H39-L41 PolarHBondContact O-N 2.67Å; L41-T45 HydrophobicContact CB-CG2 4.46Å; L41-L79 HydrophobicContact CD1-CD1 3.62Å; L41-L79 HydrophobicContact CD1-CD2 3.97Å; L41-L79 HydrophobicContact CD1-CG 4.47Å
42S60.3Low68.4Low73 Ų7366.7 Ų66.751%0.5138%0.382SS..  trans-67.3145.5175.3-171.80000111D44 T45S42-D44 PolarHBondContact O-N 3.3Å; S42-T45 WeakPolarHBondContact O-CG2 3.25Å; S42-T45 PolarHBondContact O-N 3.1Å; S42-T45 VanDerWaalsContact O-N 3.1Å; S42-T45 PolarHBondContact O-OG1 3.03Å
43A58.8Low67.6Low53 Ų5364.7 Ų64.744%0.43838%0.384SS..THydrogen-bonded Turntrans-59.7-20.3177.900000113.6
44D59.1Low66.8Low141 Ų14162 Ų6275%0.75438%0.382SS*.THydrogen-bonded Turntrans-86-1.5179.8-61.4-32.4000114.1S42 E46S42-D44 PolarHBondContact O-N 3.3Å; D44-E46 PolarHBondContact O-N 3.26Å
45T65.7Low66.4Low39 Ų3965.9 Ų65.924%0.23940%0.395CS..  trans-67.3121.1178.859.10000111.3L36 L41 S42L36-T45 WeakPolarHBondContact CD1-OG1 3.42Å; L41-T45 HydrophobicContact CB-CG2 4.46Å; S42-T45 WeakPolarHBondContact O-CG2 3.25Å; S42-T45 PolarHBondContact O-N 3.1Å; S42-T45 VanDerWaalsContact O-N 3.1Å; S42-T45 PolarHBondContact O-OG1 3.03Å
46E68.9Low66.2Low158 Ų15869.7 Ų69.774%0.73842%0.415SS*.  trans-63.2137.7166.8-61.8-175169.800110.1D44 P80D44-E46 PolarHBondContact O-N 3.26Å; E46-P80 WeakPolarHBondContact O-CD 3.49Å
47F73.2Confident65.9Low35 Ų3572 Ų7215%0.15443%0.427CS..  trans-147155173.962.6-103.6000109.9I31 K32 L36 L49 V77 L78 L79I31-F47 HydrophobicContact CB-CZ 3.93Å; I31-F47 HydrophobicContact CG2-CE1 3.95Å; I31-F47 HydrophobicContact CG2-CE2 4.11Å; I31-F47 HydrophobicContact CG2-CZ 3.58Å; K32-F47 HydrophobicContact CD-CE1 4.46Å; K32-F47 HydrophobicContact CG-CE1 3.55Å; K32-F47 HydrophobicContact CG-CZ 3.99Å; L36-F47 HydrophobicContact CD1-CD1 4.26Å; L36-F47 HydrophobicContact CD1-CE1 4.04Å; L36-F47 HydrophobicContact CD2-CD1 4.3Å; L36-F47 HydrophobicContact CD2-CE1 4.46Å; L36-F47 HydrophobicContact CG-CE1 4.41Å; F47-L49 HydrophobicContact CD2-CD2 4.02Å; F47-L49 HydrophobicContact CD2-CG 4.35Å; F47-L49 HydrophobicContact CE2-CD2 3.82Å; F47-L49 HydrophobicContact CE2-CG 4.17Å; F47-V77 HydrophobicContact CB-CG1 3.67Å; F47-V77 HydrophobicContact CD1-CG1 4.44Å; F47-V77 HydrophobicContact CD2-CG1 3.7Å; F47-V77 HydrophobicContact CE2-CG1 4.47Å; F47-V77 HydrophobicContact CG-CG1 3.69Å; F47-L78 WeakPolarHBondContact CA-O 3.5Å; F47-L79 HydrophobicContact CB-CD2 4.27Å
48S74.4Confident65.3Low42 Ų4273 Ų7329%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-113157.1171.759.30000111.2L56 L78S48-L56 WeakPolarHBondContact OG-CD2 3.15Å; S48-L78 PolarHBondContact N-O 3.29Å; S48-L78 PolarHBondContact O-N 2.88Å
49L77.8Confident64.8Low15 Ų1572.4 Ų72.48%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-110.5137.3-176.8-62.6175000110L24 L27 I31 F47 L57 I75 V77L24-L49 HydrophobicContact CD2-CD1 4.3Å; L27-L49 HydrophobicContact CD2-CD1 3.43Å; L27-L49 VanDerWaalsContact CD2-CD1 3.43Å; L27-L49 HydrophobicContact CD2-CD2 4.38Å; I31-L49 HydrophobicContact CD1-CD2 3.89Å; F47-L49 HydrophobicContact CD2-CD2 4.02Å; F47-L49 HydrophobicContact CD2-CG 4.35Å; F47-L49 HydrophobicContact CE2-CD2 3.82Å; F47-L49 HydrophobicContact CE2-CG 4.17Å; L49-L57 HydrophobicContact CB-CD1 4.4Å; L49-L57 PolarHBondContact O-N 3.48Å; L49-I75 HydrophobicContact CB-CG2 4.23Å; L49-I75 HydrophobicContact CD2-CG2 3.95Å; L49-V77 HydrophobicContact CD2-CG2 3.9Å
50S77.4Confident64.4Low0 Ų073.8 Ų73.80%044%0.443CS..EExtended strand (participates in β ladder)trans-142.8138.7179-1760000111.1N52 G53 S54 E55 C76S50-N52 PolarHBondContact OG-N 3.25Å; S50-G53 WeakPolarHBondContact OG-CA 3.45Å; S50-G53 PolarHBondContact OG-N 2.98Å; S50-S54 PolarHBondContact OG-N 3.45Å; S50-S54 VanDerWaalsContact OG-N 3.11Å; S50-E55 WeakPolarHBondContact CA-O 3.37Å; S50-E55 WeakPolarHBondContact CB-O 3.35Å; S50-E55 PolarHBondContact OG-N 3.02Å; S50-E55 PolarHBondContact OG-O 3.04Å; S50-C76 PolarHBondContact N-O 3.12Å; S50-C76 WeakPolarHBondContact O-CA 3.33Å; S50-C76 WeakPolarHBondContact O-CB 3.24Å; S50-C76 PolarHBondContact O-N 3.11Å
51L70.8Confident64.2Low52 Ų5274.8 Ų74.827%0.27244%0.438SS..SBendtrans-76.7-38.8173.6-67.2164.9000111.6L57 I69 I75L51-L57 HydrophobicContact CD1-CD2 4.33Å; L51-L57 HydrophobicContact CG-CD1 4.26Å; L51-I69 HydrophobicContact CD1-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.24Å; L51-I69 HydrophobicContact CD2-CG1 3.99Å; L51-I69 HydrophobicContact CD2-CG2 4.49Å; L51-I75 HydrophobicContact CD2-CG1 3.91Å
52N66Low64.2Low125 Ų12575.5 Ų75.567%0.66844%0.44SS*.SBendtrans-103.1-2.6-175.1-65.8-39.4000114S50 S54S50-N52 PolarHBondContact OG-N 3.25Å; N52-S54 VanDerWaalsContact C-N 3.32Å
53G60.3Low64.7Low35 Ų3573.9 Ų73.936%0.36143%0.427SS..SBendtrans79.410-176.300000114.7S50S50-G53 WeakPolarHBondContact OG-CA 3.45Å; S50-G53 PolarHBondContact OG-N 2.98Å
54S53.8Low65.1Low95 Ų9571.4 Ų71.466%0.66441%0.407SS*.SBendtrans-137.6-40.4-176.954.10000113.2S50 N52S50-S54 PolarHBondContact OG-N 3.45Å; S50-S54 VanDerWaalsContact OG-N 3.11Å; N52-S54 VanDerWaalsContact C-N 3.32Å
55E60.2Low65.5Low136 Ų13668.3 Ų68.364%0.63640%0.396SS*.SBendtrans-92.5123-178.6-171.6168.9-155.700111S50S50-E55 WeakPolarHBondContact CA-O 3.37Å; S50-E55 WeakPolarHBondContact CB-O 3.35Å; S50-E55 PolarHBondContact OG-N 3.02Å; S50-E55 PolarHBondContact OG-O 3.04Å
56L65.9Low65.5Low88 Ų8869.7 Ų69.746%0.46141%0.408SS..  trans-89.9119.1-171.8-60.3-177.5000111.8S48 S58 L78S48-L56 WeakPolarHBondContact OG-CD2 3.15Å; L56-S58 PolarHBondContact O-N 2.91Å; L56-S58 PolarHBondContact O-OG 2.9Å; L56-L78 HydrophobicContact CD2-CD1 3.67Å
57L64.8Low65.3Low48 Ų4863.5 Ų63.525%0.25138%0.381SS..  trans-69101.3171.7-63.1177.9000109.4L24 L49 L51 I69L24-L57 HydrophobicContact CD2-CD1 4.18Å; L49-L57 HydrophobicContact CB-CD1 4.4Å; L49-L57 PolarHBondContact O-N 3.48Å; L51-L57 HydrophobicContact CD1-CD2 4.33Å; L51-L57 HydrophobicContact CG-CD1 4.26Å; L57-I69 HydrophobicContact CD1-CD1 3.98Å
58S54.8Low65.1Low97 Ų9764.4 Ų64.468%0.67840%0.4SS*.  trans-118.452.6-165.6-54.60000113L56L56-S58 PolarHBondContact O-N 2.91Å; L56-S58 PolarHBondContact O-OG 2.9Å
59E54.4Low65.1Low118 Ų11862.6 Ų62.655%0.55139%0.387SS*.  trans-155.8116.8166.3-113.7168.9-118.400110.7L24 S61 Q62L24-E59 WeakPolarHBondContact CD1-O 3.33Å; E59-S61 PolarHBondContact O-N 2.89Å; E59-Q62 HydrophobicContact CB-CG 4.25Å; E59-Q62 PolarHBondContact OE2-NE2 2.86Å
60S58.1Low64.9Low76 Ų7666.3 Ų66.353%0.53141%0.411SS..THydrogen-bonded Turntrans-81.9-11.2-164.365.30000114.8Q25Q25-S60 WeakPolarHBondContact CG-O 3.49Å; Q25-S60 PolarHBondContact NE2-O 3.34Å; Q25-S60 VanDerWaalsContact NE2-O 3.07Å; Q25-S60 PolarHBondContact NE2-OG 3.18Å
61S57.1Low64.7Low95 Ų9569.6 Ų69.666%0.66443%0.434SS*.THydrogen-bonded Turntrans-1021.6-176.155.70000114.8E59E59-S61 PolarHBondContact O-N 2.89Å
62Q66.3Low64.7Low64 Ų6468.6 Ų68.630%0.29944%0.436SS..  trans-83.1148.2-178.1-69.3-167.715.500112.8L24 E59 C67L24-Q62 PolarHBondContact N-O 3.42Å; E59-Q62 HydrophobicContact CB-CG 4.25Å; E59-Q62 PolarHBondContact OE2-NE2 2.86Å; Q62-C67 PolarHBondContact OE1-SG 3.38Å
63T71.9Confident65.3Low39 Ų3965.4 Ų65.424%0.23942%0.419CS..BIsolated β-bridgetrans-74.1146.6170.853.70000110.1E21 S65 S66 C67E21-T63 HydrophobicContact CB-CG2 4.47Å; T63-S65 PolarHBondContact O-N 2.94Å; T63-S65 VanDerWaalsContact O-N 3.14Å; T63-S65 PolarHBondContact OG1-OG 2.91Å; T63-S66 PolarHBondContact N-OG 2.78Å; T63-S66 PolarHBondContact O-N 2.83Å; T63-S66 PolarHBondContact O-OG 3.1Å; T63-S66 WeakPolarHBondContact OG1-CB 3.47Å; T63-S66 PolarHBondContact OG1-N 3.13Å; T63-S66 PolarHBondContact OG1-OG 2.78Å; T63-S66 VanDerWaalsContact OG1-OG 3.11Å; T63-C67 PolarHBondContact O-N 3.43Å
64L67.4Low66.1Low2 Ų266.6 Ų66.61%0.0142%0.416CS..THydrogen-bonded Turntrans-58-33.1-178.7-64.4-179.2000112.5M2 L4 L17 P22 L24 L27 C67 I69M2-L64 HydrophobicContact CE-CB 4.15Å; M2-L64 HydrophobicContact CE-CD1 4.45Å; M2-L64 HydrophobicContact SD-CB 4.19Å; M2-L64 HydrophobicContact SD-CD1 3.84Å; L4-L64 HydrophobicContact CD1-CD1 3.91Å; L17-L64 HydrophobicContact CD1-CD1 3.61Å; P22-L64 HydrophobicContact CB-CD1 4.11Å; P22-L64 HydrophobicContact CG-CD1 3.93Å; P22-L64 WeakPolarHBondContact O-CG 3.45Å; P22-L64 PolarHBondContact O-N 2.94Å; L24-L64 HydrophobicContact CD2-CD2 3.47Å; L24-L64 VanDerWaalsContact CD2-CD2 3.47Å; L24-L64 HydrophobicContact CG-CD2 3.78Å; L27-L64 HydrophobicContact CB-CD1 4.48Å; L27-L64 HydrophobicContact CB-CD2 4.49Å; L27-L64 HydrophobicContact CD1-CD1 3.75Å; L27-L64 HydrophobicContact CD1-CD2 3.91Å; L64-C67 PolarHBondContact O-N 3.19Å; L64-I69 HydrophobicContact CB-CB 4.24Å; L64-I69 HydrophobicContact CB-CD1 4.47Å; L64-I69 HydrophobicContact CD2-CD1 3.82Å; L64-I69 VanDerWaalsContact O-CB 3.26Å; L64-I69 WeakPolarHBondContact O-CB 3.43Å; L64-I69 PolarHBondContact O-N 3.38Å
65S66.9Low67.4Low75 Ų7562.1 Ų62.152%0.52439%0.385SS..THydrogen-bonded Turntrans-65.2-38.617550.30000113.6T63 C67 G68T63-S65 PolarHBondContact O-N 2.94Å; T63-S65 VanDerWaalsContact O-N 3.14Å; T63-S65 PolarHBondContact OG1-OG 2.91Å; S65-C67 VanDerWaalsContact C-N 3.3Å; S65-C67 PolarHBondContact O-N 3.49Å; S65-G68 PolarHBondContact O-N 2.87Å
66S65.6Low68.1Low69 Ų6956.6 Ų56.648%0.48336%0.361SS..THydrogen-bonded Turntrans-69.2-27.7176.9650000113.1T63 G68T63-S66 PolarHBondContact N-OG 2.78Å; T63-S66 PolarHBondContact O-N 2.83Å; T63-S66 PolarHBondContact O-OG 3.1Å; T63-S66 WeakPolarHBondContact OG1-CB 3.47Å; T63-S66 PolarHBondContact OG1-N 3.13Å; T63-S66 PolarHBondContact OG1-OG 2.78Å; T63-S66 VanDerWaalsContact OG1-OG 3.11Å; S66-G68 PolarHBondContact O-N 3.31Å
67C65.4Low68.6Low27 Ų2752.9 Ų52.918%0.18234%0.342CS..THydrogen-bonded Turntrans-80.67.7170.1-51.20000113.4L24 Q62 T63 L64 S65 I69L24-C67 VanDerWaalsContact CD1-SG 3.59Å; Q62-C67 PolarHBondContact OE1-SG 3.38Å; T63-C67 PolarHBondContact O-N 3.43Å; L64-C67 PolarHBondContact O-N 3.19Å; S65-C67 VanDerWaalsContact C-N 3.3Å; S65-C67 PolarHBondContact O-N 3.49Å; C67-I69 VanDerWaalsContact C-N 3.32Å; C67-I69 HydrophobicContact CB-CD1 4.08Å; C67-I69 HydrophobicContact CB-CG1 4.09Å; C67-I69 PolarHBondContact O-N 3.36Å
68G68Low69Low54 Ų5453.3 Ų53.356%0.55735%0.345SS*.THydrogen-bonded Turntrans7611.6179.200000115.4S65 S66S65-G68 PolarHBondContact O-N 2.87Å; S66-G68 PolarHBondContact O-N 3.31Å
69I73.8Confident69.9Low4 Ų450.3 Ų50.32%0.02132%0.321CS..  trans-84.8128.3-174.6-50.2175.3000109.8M2 L4 L24 L51 L57 L64 C67 D73 I75M2-I69 HydrophobicContact CE-CB 4.29Å; M2-I69 HydrophobicContact CE-CG2 3.91Å; M2-I69 WeakPolarHBondContact CE-O 3.11Å; L4-I69 HydrophobicContact CD2-CG2 3.84Å; L24-I69 HydrophobicContact CD2-CD1 4.45Å; L51-I69 HydrophobicContact CD1-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.24Å; L51-I69 HydrophobicContact CD2-CG1 3.99Å; L51-I69 HydrophobicContact CD2-CG2 4.49Å; L57-I69 HydrophobicContact CD1-CD1 3.98Å; L64-I69 HydrophobicContact CB-CB 4.24Å; L64-I69 HydrophobicContact CB-CD1 4.47Å; L64-I69 HydrophobicContact CD2-CD1 3.82Å; L64-I69 VanDerWaalsContact O-CB 3.26Å; L64-I69 WeakPolarHBondContact O-CB 3.43Å; L64-I69 PolarHBondContact O-N 3.38Å; C67-I69 VanDerWaalsContact C-N 3.32Å; C67-I69 HydrophobicContact CB-CD1 4.08Å; C67-I69 HydrophobicContact CB-CG1 4.09Å; C67-I69 PolarHBondContact O-N 3.36Å; I69-D73 HydrophobicContact CG2-CB 4.17Å; I69-I75 HydrophobicContact CD1-CD1 4.43Å; I69-I75 HydrophobicContact CG2-CD1 4.33Å
70V74.2Confident70.2Confident94 Ų9449.4 Ų49.457%0.5733%0.325SS*.  trans-114.4154-179-174.50000110.4L4 G72 D73L4-V70 WeakPolarHBondContact CD2-O 3.39Å; V70-G72 PolarHBondContact O-N 3.09Å; V70-G72 VanDerWaalsContact O-N 3.1Å; V70-D73 PolarHBondContact N-OD2 3.47Å; V70-D73 WeakPolarHBondContact O-CB 3.29Å; V70-D73 PolarHBondContact O-N 2.87Å; V70-D73 VanDerWaalsContact O-N 3.13Å
71S73.8Confident69.6Low69 Ų6953.3 Ų53.348%0.48334%0.335SS..THydrogen-bonded Turntrans-60116.1174.9-173.40000110.4K3K3-S71 PolarHBondContact N-OG 2.96Å; K3-S71 CarbonylContact O-C 3.54Å; K3-S71 WeakPolarHBondContact O-CA 3.34Å; K3-S71 PolarHBondContact O-OG 3.11Å
72G71Confident68.7Low31 Ų3154 Ų5432%0.3234%0.337SS..THydrogen-bonded Turntrans122.8-18.7-175.300000113.7K3 R5 V70K3-G72 PolarHBondContact O-N 3.2Å; R5-G72 VanDerWaalsContact CZ-O 3.23Å; R5-G72 PolarHBondContact NE-O 2.9Å; R5-G72 PolarHBondContact NH2-O 2.99Å; V70-G72 PolarHBondContact O-N 3.09Å; V70-G72 VanDerWaalsContact O-N 3.1Å
73D77.2Confident67Low57 Ų5756.7 Ų56.731%0.30536%0.36SS..  trans-66.4158.7-173.7-70.9-18.4000114.1L4 R5 I69 V70L4-D73 HydrophobicContact CD2-CB 4.22Å; R5-D73 PolarHBondContact N-O 2.94Å; I69-D73 HydrophobicContact CG2-CB 4.17Å; V70-D73 PolarHBondContact N-OD2 3.47Å; V70-D73 WeakPolarHBondContact O-CB 3.29Å; V70-D73 PolarHBondContact O-N 2.87Å; V70-D73 VanDerWaalsContact O-N 3.13Å
74L78.2Confident65.4Low60 Ų6061.4 Ų61.431%0.31439%0.391SS..EExtended strand (participates in β ladder)trans-103.1116177.9-174.570.8000109.4R5 R7 T12R5-L74 HydrophobicContact CB-CD1 3.67Å; R5-L74 CarbonylContact O-C 3.55Å; R5-L74 WeakPolarHBondContact O-CA 3.33Å; R7-L74 HydrophobicContact CB-CD1 4.16Å; T12-L74 HydrophobicContact CG2-CD1 3.97Å
75I80.8Confident63.6Low1 Ų165.7 Ų65.71%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-104.7121.1175.1-61.4167.6000108.1L4 R5 V6 R7 L27 L49 L51 I69L4-I75 HydrophobicContact CD1-CD1 3.94Å; L4-I75 HydrophobicContact CD2-CD1 4.4Å; R5-I75 PolarHBondContact O-N 3.28Å; V6-I75 CarbonylContact C-O 3.55Å; V6-I75 WeakPolarHBondContact CA-O 3.4Å; R7-I75 PolarHBondContact N-O 3.07Å; L27-I75 HydrophobicContact CD1-CD1 3.56Å; L49-I75 HydrophobicContact CB-CG2 4.23Å; L49-I75 HydrophobicContact CD2-CG2 3.95Å; L51-I75 HydrophobicContact CD2-CG1 3.91Å; I69-I75 HydrophobicContact CD1-CD1 4.43Å; I69-I75 HydrophobicContact CG2-CD1 4.33Å
76C75.1Confident61.9Low20 Ų2066.9 Ų66.914%0.13544%0.441CS..EExtended strand (participates in β ladder)trans-88.2130173.1-62.90000110.2S50S50-C76 PolarHBondContact N-O 3.12Å; S50-C76 WeakPolarHBondContact O-CA 3.33Å; S50-C76 WeakPolarHBondContact O-CB 3.24Å; S50-C76 PolarHBondContact O-N 3.11Å
77V76.1Confident60.2Low10 Ų1072.9 Ų72.96%0.06146%0.464CS..EExtended strand (participates in β ladder)trans-93.8121.6172.1-177.70000108V6 R7 I8 I31 F47 L49V6-V77 HydrophobicContact CG1-CG2 3.5Å; V6-V77 VanDerWaalsContact CG1-CG2 3.5Å; R7-V77 PolarHBondContact O-N 2.6Å; I8-V77 HydrophobicContact CD1-CG2 4.13Å; I8-V77 HydrophobicContact CG1-CB 3.59Å; I8-V77 HydrophobicContact CG1-CG1 4.15Å; I8-V77 HydrophobicContact CG1-CG2 3.59Å; I31-V77 HydrophobicContact CD1-CG2 4.19Å; I31-V77 HydrophobicContact CG2-CG2 4.33Å; F47-V77 HydrophobicContact CB-CG1 3.67Å; F47-V77 HydrophobicContact CD1-CG1 4.44Å; F47-V77 HydrophobicContact CD2-CG1 3.7Å; F47-V77 HydrophobicContact CE2-CG1 4.47Å; F47-V77 HydrophobicContact CG-CG1 3.69Å; L49-V77 HydrophobicContact CD2-CG2 3.9Å
78L72.3Confident58.5Low58 Ų5875.5 Ų75.530%0.30449%0.488SS..EExtended strand (participates in β ladder)trans-101111.8177.2-60.7175.9000108.3F47 S48 L56F47-L78 WeakPolarHBondContact CA-O 3.5Å; S48-L78 PolarHBondContact N-O 3.29Å; S48-L78 PolarHBondContact O-N 2.88Å; L56-L78 HydrophobicContact CD2-CD1 3.67Å
79L74.3Confident56.6Low33 Ų3378.6 Ų78.617%0.17350%0.496CS..  trans-88139.8173.1-70.5151.6000108.8I8 L41 F47 Q81I8-L79 HydrophobicContact CG2-CD1 4.13Å; L41-L79 HydrophobicContact CD1-CD1 3.62Å; L41-L79 HydrophobicContact CD1-CD2 3.97Å; L41-L79 HydrophobicContact CD1-CG 4.47Å; F47-L79 HydrophobicContact CB-CD2 4.27Å; L79-Q81 PolarHBondContact O-N 2.87Å
80P60.8Low54.4Low99 Ų9984.6 Ų84.664%0.64354%0.538SS*.  trans-65.810217526.5-32.6000109.8E46E46-P80 WeakPolarHBondContact O-CD 3.49Å
81Q45Very low52.2Low159 Ų15988.4 Ų88.474%0.74355%0.55SS*.PPolyproline II helixtrans-83.1129.2174.4-71.9-172.2-25.700110.2L79L79-Q81 PolarHBondContact O-N 2.87Å
82P37.9Very low49.9Very low109 Ų10996.5 Ų96.571%0.70857%0.57SS**PPolyproline II helixtrans-63.6153163.528.5-33.2000110.1
83P31.5Very low47.6Very low121 Ų121100.5 Ų100.579%0.78659%0.588SS**PPolyproline II helixtrans-60.6140.8-17122.8-33.6000112.7A85P83-A85 PolarHBondContact O-N 2.78Å; P83-A85 VanDerWaalsContact O-N 3.14Å
84P38.1Very low45.1Very low137 Ų137104.1 Ų104.189%0.8961%0.612SS**  trans-77.9105.6-165.829.7-35.6000113
85A30.2Very low42.6Very low92 Ų92106.1 Ų106.176%0.7663%0.631SS**  trans-121.8122.4160.600000110.1P83P83-A85 PolarHBondContact O-N 2.78Å; P83-A85 VanDerWaalsContact O-N 3.14Å
86A30.8Very low39.9Very low100 Ų100110.6 Ų110.683%0.82666%0.663SS**  trans48.6106.4164.300000119.4
87M29Very low37.5Very low196 Ų196115 Ų11597%0.96669%0.689SS**  -154.6137.6126-117.8171.871.200111.8
88A30.2Very low35.1Very low82 Ų82122.9 Ų122.968%0.67873%0.726SS**  trans-118.8158.6-179.900000111.2
89T28.1Very low32.7Very low119 Ų119125.3 Ų125.373%0.7374%0.743SS**  trans70.8113.5160.47.60000119.1
90S28.5Very low30.3Very low129 Ų129129 Ų12990%0.90277%0.767SS**  -151.9140.7120.6-82.30000110.1
91E28.2Very low28.7Very low174 Ų174129.1 Ų129.181%0.81377%0.77SS**  trans-97.6150.7-170.2-50.2173.2146.100112.1
92R25.3Very low27.9Very low239 Ų239128.8 Ų128.890%0.90277%0.768SS**  -167.5118.6121.9-125.6168.7-170160.97.1115.9
93T22.9Very low27.3Very low115 Ų115131.1 Ų131.171%0.70677%0.77SS**  trans20.1124.2135.1-31.50000120.5
94T24.6Very low27Very low133 Ų133132.1 Ų132.182%0.81677%0.769SS**  -167.5129112.429.60000114
95S24.2Very low26.4Very low102 Ų102131.1 Ų131.171%0.71376%0.76SS**  trans6.1150.1153.357.60000125.1
96S25.5Very low26.2Very low96 Ų96133.3 Ų133.367%0.67176%0.759SS**  99.5114.7127.758.20000122.3
97T23.8Very low25.9Very low111 Ų111139 Ų13968%0.68176%0.759SS**  trans77.1127.3130.448.30000123.1
98E25.4Very low25.6Very low177 Ų177134.9 Ų134.983%0.82775%0.745SS**  trans74.8152.3135.2-69.2-178.9-152.700120.3
99T23.1Very low25.3Very low108 Ų108137 Ų13766%0.66375%0.75SS**  cis-160160.9-39.3-390000109.4
100T24.1Very low25.2Very low112 Ų112135.3 Ų135.369%0.68774%0.743SS**  trans82.5150.1147.6-30.10000121.4
101S26.5Very low25.3Very low101 Ų101137 Ų13771%0.70674%0.736SS**  trans82.490.5159.7-43.10000115.5
102Q27.5Very low25.1Very low151 Ų151135.1 Ų135.171%0.70673%0.732SS**  61.9118.162.3-71.1-174-83.800116
103E26Very low25.2Very low159 Ų159128.2 Ų128.274%0.74372%0.72SS**  trans59.7150136.7-66.2160.8-146.100120
104D24.5Very low25.3Very low141 Ų141128 Ų12875%0.75472%0.724SS**  cis172.2170.4-28.6-140.6-38.7000104.6
105T25.3Very low25.5Very low116 Ų116126.3 Ų126.371%0.71272%0.717SS**  trans61.5121.1170.627.30000117.6
106N26.6Very low25.7Very low138 Ų138132.3 Ų132.374%0.73872%0.724SS**  -167.6125.458.3-111.3-37.2000114.6
107R24.8Very low25.9Very low219 Ų219136.2 Ų136.283%0.82673%0.732SS**  43.7112.3124.6-99.9-173.6176.7-165.7-1.3123.5
108T23.2Very low26Very low110 Ų110135.3 Ų135.368%0.67573%0.73SS**  75.8133123.240.20000124.3
109T23.1Very low26.2Very low128 Ų128135.4 Ų135.479%0.78574%0.735SS**  trans69.1141.4142.149.30000119.3
110S26.6Very low26.7Very low82 Ų82139 Ų13957%0.57375%0.745SS**  cis-176.6154.8-1.841.20000111.9
111Q30.1Very low26.9Very low164 Ų164138.3 Ų138.377%0.76675%0.75SS**  trans65.2160.5151.5-68.5169.2-4600117.7
112D23.9Very low26.8Very low136 Ų136139.9 Ų139.973%0.72776%0.76SS**  cis-167.4163.1-18.9-100.8-17.7000107
113S26.9Very low26.9Very low93 Ų93140.1 Ų140.165%0.6577%0.765SS**  cis-169.2-163-15.362.10000108.5
114S26.2Very low27.2Very low111 Ų111140 Ų14078%0.77677%0.767SS**  trans74.2145.516882.80000117.4
115S28.5Very low27.4Very low97 Ų97141.9 Ų141.968%0.67877%0.771SS**  cis-163.6132.9-12.339.60000114.3
116R27.7Very low27.9Very low229 Ų229140.9 Ų140.986%0.86477%0.769SS**  71.8152.4126.1-70.2-175.8167.2-167.1-3.5123.6
117Q29.2Very low27.9Very low178 Ų178140.3 Ų140.383%0.83277%0.774SS**  trans81.3139160.3-73.6165.1-400118.1
118S25.9Very low28.3Very low91 Ų91135.2 Ų135.264%0.63677%0.772SS**  cis-176137.2-19.344.10000111.4
119L31.2Very low29Very low180 Ų180135 Ų13594%0.94278%0.782SS**  trans-141.2112.6146.8-77179.6000109.3
120Q33.9Very low30Very low184 Ų184132.6 Ų132.686%0.8678%0.775SS**  trans-90.7129.1168.2-81.7172.3-57.300107.6
121A26.6Very low30.9Very low96 Ų96132.6 Ų132.679%0.79377%0.773SS**  83.7120.56500000114
122C25.2Very low31.9Very low135 Ų135129.6 Ų129.691%0.91277%0.768SS**  trans-131.6160.6151.245.80000108.4
123N28.9Very low33.7Very low155 Ų155126.7 Ų126.783%0.82975%0.754SS**  trans-95.1140.4-137.2-113.7-10000117.2
124M33.5Very low35.2Very low156 Ų156132.4 Ų132.477%0.76876%0.762SS**  trans16.4124.2135.6-77.4-79.316800119.7
125Q28.3Very low37.1Very low181 Ų181133.2 Ų133.285%0.84675%0.753SS**  -136.4135.4126.5-162.368.624.800108.9
126S36.2Very low39.2Very low95 Ų95134.6 Ų134.666%0.66476%0.76SS**  trans-77.2129.1-17054.80000113.9
127C26.4Very low41.8Very low126 Ų126124.7 Ų124.785%0.85172%0.724SS**  trans-128.2145.3157-75.10000109.9
128S33.7Very low44.4Very low112 Ų112119.5 Ų119.578%0.78370%0.702SS**  trans-55.1140.9177.148.40000111A130S128-A130 PolarHBondContact O-N 2.75Å
129A37.8Very low47.1Very low106 Ų106115.1 Ų115.188%0.87667%0.671SS**  trans-52.8105.5177.300000110.6
130A42.3Very low49.5Very low78 Ų78108.2 Ų108.265%0.64564%0.638SS**  trans-61.5148.5169.800000108.9S128S128-A130 PolarHBondContact O-N 2.75Å
131P47.1Very low51.9Low82 Ų82104.2 Ų104.253%0.53262%0.619SS.*  trans-56.7152.7170.727.2-34.7000109.9V133P131-V133 PolarHBondContact O-N 2.74Å
132P51.2Low54.6Low101 Ų10199.8 Ų99.866%0.65658%0.583SS**  trans-61.6113.8177.725.6-33.3000109.6W134P132-W134 VanDerWaalsContact O-CD1 3.23Å; P132-W134 PolarHBondContact O-N 2.92Å
133V60.5Low57.2Low74 Ų7499.8 Ų99.845%0.44857%0.569SS.*  trans-62120.9173.6179.80000107.8P131 E135P131-V133 PolarHBondContact O-N 2.74Å; V133-E135 HydrophobicContact CG1-CG 4.37Å; V133-E135 PolarHBondContact O-N 2.99Å
134W58.8Low59.3Low213 Ų21397.9 Ų97.981%0.80756%0.559SS**  trans-82.394.6-176.6-7086.8000110.2P132 P136 M137P132-W134 VanDerWaalsContact O-CD1 3.23Å; P132-W134 PolarHBondContact O-N 2.92Å; W134-P136 CarbonylContact O-C 3.55Å; W134-M137 WeakPolarHBondContact O-CB 3.41Å; W134-M137 PolarHBondContact O-N 3.44Å; W134-M137 VanDerWaalsContact O-N 3.16Å
135E65.8Low61.2Low128 Ų12892.8 Ų92.860%0.59855%0.546SS*.SBendtrans-88.2138.5173.7-63.7-169.1160.300112.1V133V133-E135 HydrophobicContact CG1-CG 4.37Å; V133-E135 PolarHBondContact O-N 2.99Å
136P72.3Confident63.7Low127 Ų12787.3 Ų87.383%0.82552%0.521SS*.SBendcis-80.3125.2-4.832-33000112.4W134W134-P136 CarbonylContact O-C 3.55Å
137M82Confident65.9Low21 Ų2183.3 Ų83.310%0.10349%0.494CS..PPolyproline II helixtrans-89.1143174.3-178.5165.763.100111W134 E141 A142 E146 A147 P148W134-M137 WeakPolarHBondContact O-CB 3.41Å; W134-M137 PolarHBondContact O-N 3.44Å; W134-M137 VanDerWaalsContact O-N 3.16Å; M137-E141 HydrophobicContact CG-CB 4.13Å; M137-A142 HydrophobicContact CE-CB 4.15Å; M137-A142 HydrophobicContact SD-CB 4.12Å; M137-E146 HydrophobicContact CE-CB 4.14Å; M137-A147 WeakPolarHBondContact CE-O 3.29Å; M137-P148 HydrophobicContact CB-CB 4.13Å; M137-P148 HydrophobicContact CE-CB 4.27Å; M137-P148 WeakPolarHBondContact O-CB 3.43Å
138L84.3Confident68.8Low68 Ų6877.5 Ų77.536%0.35645%0.454SS..PPolyproline II helixtrans-95.8154.8170.1-66.5170.4000112.6S140 E141 A142 E177L138-S140 PolarHBondContact O-N 3.27Å; L138-E141 HydrophobicContact CB-CG 4.48Å; L138-E141 PolarHBondContact N-OE2 2.9Å; L138-E141 PolarHBondContact O-N 3.04Å; L138-A142 PolarHBondContact O-N 2.92Å; L138-E177 HydrophobicContact CD2-CG 3.94Å
139C83.1Confident71.2Confident0 Ų076.1 Ų76.10%044%0.438CS..THydrogen-bonded Turntrans-59.6-10.9170.4-70.10000114.3L174 E177 L270 K271 S274C139-L174 HydrophobicContact CB-CD2 3.68Å; C139-E177 WeakPolarHBondContact CB-OE1 3.37Å; C139-E177 PolarHBondContact N-OE1 3.42Å; C139-E177 PolarHBondContact SG-OE1 3.44Å; C139-E177 VanDerWaalsContact SG-OE1 3.37Å; C139-L270 HydrophobicContact CB-CD1 4.27Å; C139-L270 HydrophobicContact CB-CD2 4.09Å; C139-L270 HydrophobicContact CB-CG 3.95Å; C139-L270 CarbonylContact O-C 3.49Å; C139-K271 PolarHBondContact O-N 3.41Å; C139-S274 WeakPolarHBondContact O-CB 3.43Å; C139-S274 PolarHBondContact O-OG 3.09Å
140S82.6Confident73.5Confident34 Ų3473.4 Ų73.424%0.23841%0.412CS..THydrogen-bonded Turntrans-88.4-12.3171.2460000114.4L138 K271 S274L138-S140 PolarHBondContact O-N 3.27Å; S140-K271 VanDerWaalsContact O-CE 3.29Å; S140-K271 WeakPolarHBondContact O-CE 3.25Å; S140-K271 WeakPolarHBondContact O-CG 3.19Å; S140-S274 WeakPolarHBondContact CA-OG 3.12Å
141E83.1Confident75.7Confident101 Ų10169.7 Ų69.747%0.47238%0.381SS..THydrogen-bonded Turntrans-106.1-36.6-175-70.8163.2170.200111.3M137 L138 E143M137-E141 HydrophobicContact CG-CB 4.13Å; L138-E141 HydrophobicContact CB-CG 4.48Å; L138-E141 PolarHBondContact N-OE2 2.9Å; L138-E141 PolarHBondContact O-N 3.04Å; E141-E143 PolarHBondContact O-N 3.01Å
142A82.4Confident77.6Confident3 Ų367.9 Ų67.93%0.02537%0.366CS..  trans-40.4125.4174.200000114.1M137 L138 L270M137-A142 HydrophobicContact CE-CB 4.15Å; M137-A142 HydrophobicContact SD-CB 4.12Å; L138-A142 PolarHBondContact O-N 2.92Å; A142-L270 HydrophobicContact CB-CB 4.49Å; A142-L270 HydrophobicContact CB-CD2 3.88Å
143E79.9Confident79.4Confident135 Ų13567.2 Ų67.263%0.63136%0.356SS*.  trans-92.2168.1171.3-54.3-152.2148.700110.7E141 G145 E146E141-E143 PolarHBondContact O-N 3.01Å; E143-G145 PolarHBondContact O-N 3.47Å; E143-G145 VanDerWaalsContact O-N 3.15Å; E143-E146 PolarHBondContact O-N 3.03Å; E143-E146 VanDerWaalsContact O-N 3.12Å
144D72.9Confident80.6Confident114 Ų11463.8 Ų63.861%0.6134%0.335SS*.THydrogen-bonded Turntrans-69.4113.7-176.9-70.3-51.7000110.1N269D144-N269 PolarHBondContact OD1-N 3.23Å
145G73.6Confident82Confident49 Ų4954.2 Ų54.251%0.50530%0.299SS..THydrogen-bonded Turntrans104.92.8-173.600000114.8E143E143-G145 PolarHBondContact O-N 3.47Å; E143-G145 VanDerWaalsContact O-N 3.15Å
146E82Confident82.9Confident67 Ų6752.9 Ų52.931%0.31329%0.293SS..  trans-124.5141.2171.8-63-176.4171.200110.4M137 E143M137-E146 HydrophobicContact CE-CB 4.14Å; E143-E146 PolarHBondContact O-N 3.03Å; E143-E146 VanDerWaalsContact O-N 3.12Å
147A82.7Confident83.6Confident11 Ų1150.3 Ų50.39%0.09128%0.275CS..  trans-133.1145.1178.400000110.3M137 L151 E152 A263 A264M137-A147 WeakPolarHBondContact CE-O 3.29Å; A147-L151 HydrophobicContact CB-CD2 4.03Å; A147-E152 HydrophobicContact CB-CG 3.82Å; A147-A263 HydrophobicContact CB-CB 4.31Å; A147-A264 HydrophobicContact CB-CB 3.91Å
148P85.6Confident83.5Confident3 Ų349.6 Ų49.62%0.01927%0.272CS..  trans-73.8141.9176.129.2-31.5000110.1M137 S150 L151 E152 L173M137-P148 HydrophobicContact CB-CB 4.13Å; M137-P148 HydrophobicContact CE-CB 4.27Å; M137-P148 WeakPolarHBondContact O-CB 3.43Å; P148-S150 PolarHBondContact O-N 2.82Å; P148-S150 VanDerWaalsContact O-N 3.07Å; P148-L151 HydrophobicContact CG-CB 3.73Å; P148-L151 HydrophobicContact CG-CD1 4.41Å; P148-L151 WeakPolarHBondContact O-CA 3.41Å; P148-L151 VanDerWaalsContact O-CB 3.28Å; P148-L151 WeakPolarHBondContact O-CB 3.49Å; P148-L151 PolarHBondContact O-N 2.91Å; P148-E152 PolarHBondContact O-N 2.93Å; P148-E152 VanDerWaalsContact O-N 3.16Å; P148-L173 HydrophobicContact CG-CD2 4.44Å
149L84.5Confident83.2Confident84 Ų8453.2 Ų53.244%0.4429%0.287SS..Hα-helixtrans-52.1-36.6-175.1-174.968.3000113.6L151 E152 L153L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.03Å; L149-E152 PolarHBondContact O-N 2.85Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.43Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.18Å; L149-L153 PolarHBondContact O-N 2.82Å
150S86.9Confident83.1Confident48 Ų4853.9 Ų53.934%0.33629%0.292SS..Hα-helixtrans-60.9-36.3175520000113.4P148 L154P148-S150 PolarHBondContact O-N 2.82Å; P148-S150 VanDerWaalsContact O-N 3.07Å; S150-L154 WeakPolarHBondContact O-CB 3.23Å; S150-L154 WeakPolarHBondContact O-CD1 3.45Å; S150-L154 VanDerWaalsContact O-CG 3.29Å; S150-L154 WeakPolarHBondContact O-CG 3.31Å; S150-L154 PolarHBondContact O-N 3.49Å; S150-L154 VanDerWaalsContact O-N 3.09Å
151L88.1Confident82.9Confident1 Ų157.4 Ų57.41%0.00532%0.316CS..Hα-helixtrans-74-39.1176.2-173149.3000111.1A147 P148 L149 Y155 V170 L173 A263 F267 L270A147-L151 HydrophobicContact CB-CD2 4.03Å; P148-L151 HydrophobicContact CG-CB 3.73Å; P148-L151 HydrophobicContact CG-CD1 4.41Å; P148-L151 WeakPolarHBondContact O-CA 3.41Å; P148-L151 VanDerWaalsContact O-CB 3.28Å; P148-L151 WeakPolarHBondContact O-CB 3.49Å; P148-L151 PolarHBondContact O-N 2.91Å; L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.03Å; L151-Y155 WeakPolarHBondContact O-CB 3.44Å; L151-Y155 PolarHBondContact O-N 3.21Å; L151-V170 HydrophobicContact CD1-CG2 3.87Å; L151-L173 HydrophobicContact CB-CD2 3.48Å; L151-L173 VanDerWaalsContact CB-CD2 3.48Å; L151-L173 HydrophobicContact CD1-CD2 4.02Å; L151-L173 HydrophobicContact CG-CD2 4.11Å; L151-A263 HydrophobicContact CD2-CB 3.29Å; L151-F267 HydrophobicContact CD2-CD2 3.72Å; L151-F267 HydrophobicContact CD2-CE2 3.67Å; L151-F267 HydrophobicContact CG-CE2 4.39Å; L151-L270 HydrophobicContact CD1-CD1 4.25Å; L151-L270 HydrophobicContact CD1-CD2 3.79Å
152E87.9Confident82.9Confident43 Ų4354.1 Ų54.120%0.20130%0.304CS..Hα-helixtrans-64.1-48.2175.7-59.7-160.2136.300111.1A147 P148 L149 L154 Y155 H156 A263A147-E152 HydrophobicContact CB-CG 3.82Å; P148-E152 PolarHBondContact O-N 2.93Å; P148-E152 VanDerWaalsContact O-N 3.16Å; L149-E152 PolarHBondContact O-N 2.85Å; E152-L154 PolarHBondContact O-N 3.1Å; E152-Y155 WeakPolarHBondContact O-CB 3.35Å; E152-Y155 PolarHBondContact O-N 2.96Å; E152-Y155 VanDerWaalsContact O-N 3.12Å; E152-H156 PolarHBondContact O-CD2 2.86Å; E152-H156 PolarHBondContact O-N 3.46Å; E152-A263 HydrophobicContact CG-CB 4.07Å
153L88.1Confident83.1Confident87 Ų8757 Ų5746%0.45532%0.322SS..Hα-helixtrans-58.7-46.7175.6-69.3170.9000112.3L149 Y155 T157L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.43Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.18Å; L149-L153 PolarHBondContact O-N 2.82Å; L153-Y155 VanDerWaalsContact C-N 3.29Å; L153-Y155 PolarHBondContact O-N 3.19Å; L153-T157 WeakPolarHBondContact O-CG2 3.31Å; L153-T157 PolarHBondContact O-N 3.2Å; L153-T157 PolarHBondContact O-OG1 3.44Å
154L87.1Confident83.5Confident2 Ų251.5 Ų51.51%0.0130%0.297CS..Hα-helixtrans-62.5-36.3174.9-81.6168.1000112.3S150 E152 T157 A158 V169 L173 G190 M192S150-L154 WeakPolarHBondContact O-CB 3.23Å; S150-L154 WeakPolarHBondContact O-CD1 3.45Å; S150-L154 VanDerWaalsContact O-CG 3.29Å; S150-L154 WeakPolarHBondContact O-CG 3.31Å; S150-L154 PolarHBondContact O-N 3.49Å; S150-L154 VanDerWaalsContact O-N 3.09Å; E152-L154 PolarHBondContact O-N 3.1Å; L154-T157 WeakPolarHBondContact CA-OG1 3.49Å; L154-T157 PolarHBondContact O-OG1 3.47Å; L154-T157 VanDerWaalsContact O-OG1 3.12Å; L154-A158 WeakPolarHBondContact O-CB 3.49Å; L154-A158 PolarHBondContact O-N 3.45Å; L154-V169 HydrophobicContact CB-CG1 3.77Å; L154-L173 HydrophobicContact CD1-CB 3.94Å; L154-L173 HydrophobicContact CD1-CD1 4.09Å; L154-L173 HydrophobicContact CD1-CG 4.44Å; L154-G190 VanDerWaalsContact CD2-C 3.44Å; L154-G190 WeakPolarHBondContact CD2-O 3.32Å; L154-M192 HydrophobicContact CD2-CG 4.2Å; L154-M192 HydrophobicContact CD2-SD 4.17Å
155Y86.9Confident84.3Confident12 Ų1246.5 Ų46.55%0.04727%0.271CS..Hα-helixtrans-69.9-46.5-179.7178-117.4000112L151 E152 L153 T157 A158 Q159 T160 W258 G260 A263 A266L151-Y155 WeakPolarHBondContact O-CB 3.44Å; L151-Y155 PolarHBondContact O-N 3.21Å; E152-Y155 WeakPolarHBondContact O-CB 3.35Å; E152-Y155 PolarHBondContact O-N 2.96Å; E152-Y155 VanDerWaalsContact O-N 3.12Å; L153-Y155 VanDerWaalsContact C-N 3.29Å; L153-Y155 PolarHBondContact O-N 3.19Å; Y155-T157 PolarHBondContact O-N 2.96Å; Y155-A158 PolarHBondContact O-N 3.16Å; Y155-Q159 PolarHBondContact O-N 2.88Å; Y155-T160 HydrophobicContact CD2-CG2 3.93Å; Y155-T160 HydrophobicContact CE2-CG2 3.87Å; Y155-T160 VanDerWaalsContact CE2-OG1 3.3Å; Y155-T160 WeakPolarHBondContact CE2-OG1 3.42Å; Y155-W258 HydrophobicContact CD2-CZ3 4.17Å; Y155-W258 HydrophobicContact CE2-CE3 4.03Å; Y155-W258 AromaticContact CE2-CH2 3.97Å; Y155-W258 HydrophobicContact CE2-CH2 3.97Å; Y155-W258 AromaticContact CE2-CZ3 3.29Å; Y155-W258 HydrophobicContact CE2-CZ3 3.29Å; Y155-W258 AromaticContact CZ-CZ3 3.77Å; Y155-G260 WeakPolarHBondContact CE1-O 3.42Å; Y155-G260 PolarHBondContact OH-O 3.1Å; Y155-A263 HydrophobicContact CD1-CB 3.57Å; Y155-A263 HydrophobicContact CE1-CB 4.35Å; Y155-A263 HydrophobicContact CG-CB 3.84Å; Y155-A266 HydrophobicContact CE1-CB 4.44Å
156H85.6Confident85Confident100 Ų10044.2 Ų44.246%0.46325%0.247SC..Hα-helixtrans-62.4-40.6175.1-71-68.7000112.6E152 E261E152-H156 PolarHBondContact O-CD2 2.86Å; E152-H156 PolarHBondContact O-N 3.46Å; H156-E261 PolarHBondContact CE1-O 3Å
157T85.6Confident85.4Confident73 Ų7341.1 Ų41.145%0.44823%0.232SC..Hα-helixtrans-73.1-35178.855.80000112.9L153 L154 Y155 Q159 G190L153-T157 WeakPolarHBondContact O-CG2 3.31Å; L153-T157 PolarHBondContact O-N 3.2Å; L153-T157 PolarHBondContact O-OG1 3.44Å; L154-T157 WeakPolarHBondContact CA-OG1 3.49Å; L154-T157 PolarHBondContact O-OG1 3.47Å; L154-T157 VanDerWaalsContact O-OG1 3.12Å; Y155-T157 PolarHBondContact O-N 2.96Å; T157-Q159 PolarHBondContact O-N 3.21Å; T157-G190 PolarHBondContact OG1-O 3.18Å
158A81.5Confident85.8Confident6 Ų640.6 Ų40.65%0.0523%0.228CC..Hα-helixtrans-72.6-23.7-176.200000114.6L154 Y155 T160 V169 M192 W196 R197L154-A158 WeakPolarHBondContact O-CB 3.49Å; L154-A158 PolarHBondContact O-N 3.45Å; Y155-A158 PolarHBondContact O-N 3.16Å; A158-T160 HydrophobicContact CB-CG2 4.41Å; A158-T160 PolarHBondContact O-N 2.81Å; A158-V169 HydrophobicContact CB-CG2 3.49Å; A158-V169 VanDerWaalsContact CB-CG2 3.49Å; A158-M192 HydrophobicContact CB-CG 3.88Å; A158-W196 HydrophobicContact CB-CZ2 4.2Å; A158-R197 PolarHBondContact O-NH1 3.25Å
159Q77.7Confident86Confident145 Ų14540.4 Ų40.468%0.67823%0.227SC*.THydrogen-bonded Turntrans44.465.4-176.7-62.6-176.41.800111.9Y155 T157 S161 R197Y155-Q159 PolarHBondContact O-N 2.88Å; T157-Q159 PolarHBondContact O-N 3.21Å; Q159-S161 PolarHBondContact O-N 2.84Å; Q159-R197 PolarHBondContact O-NH1 2.82Å; Q159-R197 VanDerWaalsContact O-NH1 3.1Å
160T80.3Confident86.3Confident14 Ų1436.4 Ų36.49%0.08621%0.206CC..  trans-62.3125.5-174.762.90000110.9Y155 A158 D165 V169Y155-T160 HydrophobicContact CD2-CG2 3.93Å; Y155-T160 HydrophobicContact CE2-CG2 3.87Å; Y155-T160 VanDerWaalsContact CE2-OG1 3.3Å; Y155-T160 WeakPolarHBondContact CE2-OG1 3.42Å; A158-T160 HydrophobicContact CB-CG2 4.41Å; A158-T160 PolarHBondContact O-N 2.81Å; T160-D165 HydrophobicContact CG2-CB 3.92Å; T160-V169 HydrophobicContact CG2-CG2 4.02Å
161S78.5Confident86.6Confident107 Ų10734.3 Ų34.375%0.74819%0.192SC*.  trans-97.5-13.2176.7-55.50000112.4Q159 D165Q159-S161 PolarHBondContact O-N 2.84Å; S161-D165 PolarHBondContact N-OD2 3.14Å
162S83.6Confident86.7Confident32 Ų3234.4 Ų34.422%0.22419%0.192CC..SBendtrans-137.7157.9-17792.10000112.7N164 D165 A166 Y203S162-N164 PolarHBondContact O-N 2.94Å; S162-N164 WeakPolarHBondContact OG-CB 3.44Å; S162-N164 PolarHBondContact OG-N 2.86Å; S162-D165 PolarHBondContact N-OD2 3.08Å; S162-D165 VanDerWaalsContact O-CB 3.31Å; S162-D165 WeakPolarHBondContact O-CB 3.32Å; S162-D165 PolarHBondContact O-N 3.43Å; S162-D165 PolarHBondContact OG-N 2.81Å; S162-D165 PolarHBondContact OG-OD1 3.24Å; S162-A166 PolarHBondContact O-N 3.26Å; S162-Y203 PolarHBondContact OG-OH 3.39Å
163P86.4Confident86.9Confident63 Ų6332.8 Ų32.841%0.40919%0.185SC..Hα-helixtrans-67.6-15.4173.232.2-39.6000112.8P250 V254P163-P250 HydrophobicContact CB-CB 3.95Å; P163-P250 HydrophobicContact CG-CB 4.37Å; P163-V254 HydrophobicContact CB-CB 4.39Å; P163-V254 HydrophobicContact CB-CG1 3.72Å
164N89.2Confident87.1Confident20 Ų2028.7 Ų28.711%0.10716%0.163CC..Hα-helixtrans-78.2-40.4172-64.9-43.2000110.8S162 A166 I167 M168 Y203 S223 L228 P250S162-N164 PolarHBondContact O-N 2.94Å; S162-N164 WeakPolarHBondContact OG-CB 3.44Å; S162-N164 PolarHBondContact OG-N 2.86Å; N164-A166 VanDerWaalsContact C-N 3.25Å; N164-A166 PolarHBondContact O-N 2.82Å; N164-I167 PolarHBondContact O-N 2.88Å; N164-M168 WeakPolarHBondContact O-CG 3.13Å; N164-M168 PolarHBondContact O-N 2.87Å; N164-Y203 HydrophobicContact CB-CE2 4.06Å; N164-Y203 VanDerWaalsContact CB-OH 3.29Å; N164-Y203 WeakPolarHBondContact CB-OH 3.33Å; N164-S223 WeakPolarHBondContact ND2-CB 3.28Å; N164-L228 HydrophobicContact CB-CD1 4.19Å; N164-P250 WeakPolarHBondContact OD1-CG 3.26Å
165D89.1Confident87.3Confident10 Ų1028.6 Ų28.65%0.05316%0.163CC..Hα-helixtrans-55.3-45.4174.6-61.19.2000110.1T160 S161 S162 I167 M168 V169 W196 Y203T160-D165 HydrophobicContact CG2-CB 3.92Å; S161-D165 PolarHBondContact N-OD2 3.14Å; S162-D165 PolarHBondContact N-OD2 3.08Å; S162-D165 VanDerWaalsContact O-CB 3.31Å; S162-D165 WeakPolarHBondContact O-CB 3.32Å; S162-D165 PolarHBondContact O-N 3.43Å; S162-D165 PolarHBondContact OG-N 2.81Å; S162-D165 PolarHBondContact OG-OD1 3.24Å; D165-I167 PolarHBondContact O-N 2.84Å; D165-M168 WeakPolarHBondContact O-CB 3.3Å; D165-M168 PolarHBondContact O-N 3.33Å; D165-M168 VanDerWaalsContact O-N 3.08Å; D165-V169 WeakPolarHBondContact O-CG2 3.43Å; D165-V169 PolarHBondContact O-N 2.65Å; D165-W196 HydrophobicContact CB-CH2 3.91Å; D165-Y203 PolarHBondContact N-OH 3.43Å; D165-Y203 WeakPolarHBondContact OD1-CE1 3.29Å; D165-Y203 PolarHBondContact OD1-OH 2.91Å
166A88.8Confident87.4Confident0 Ų031.1 Ų31.10%018%0.177CC..Hα-helixtrans-53.2-52175.400000113.3S162 N164 M168 V169 V170 V254 W258 F267S162-A166 PolarHBondContact O-N 3.26Å; N164-A166 VanDerWaalsContact C-N 3.25Å; N164-A166 PolarHBondContact O-N 2.82Å; A166-M168 VanDerWaalsContact C-N 3.25Å; A166-M168 PolarHBondContact O-N 3.44Å; A166-V169 PolarHBondContact O-N 3.03Å; A166-V170 PolarHBondContact O-N 2.81Å; A166-V254 HydrophobicContact CB-CG2 4.2Å; A166-W258 HydrophobicContact CB-CE3 4.01Å; A166-W258 HydrophobicContact CB-CH2 3.27Å; A166-W258 HydrophobicContact CB-CZ2 4.05Å; A166-W258 HydrophobicContact CB-CZ3 3.19Å; A166-F267 HydrophobicContact CB-CE1 3.99Å; A166-F267 HydrophobicContact CB-CZ 4.1Å; A166-F267 WeakPolarHBondContact O-CZ 3.47Å
167I90.4Very high87.7Confident2 Ų228.5 Ų28.51%0.0117%0.165CC..Hα-helixtrans-63.4-36176.9-63.9165.6000110.7N164 D165 V170 A171 L228 L248 P250 V254N164-I167 PolarHBondContact O-N 2.88Å; D165-I167 PolarHBondContact O-N 2.84Å; I167-V170 PolarHBondContact O-N 2.59Å; I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.49Å; I167-A171 PolarHBondContact O-N 3.17Å; I167-L228 HydrophobicContact CB-CD2 3.88Å; I167-L228 HydrophobicContact CD1-CD2 4.07Å; I167-L228 HydrophobicContact CG2-CD2 3.76Å; I167-L248 HydrophobicContact CG2-CD1 3.7Å; I167-P250 VanDerWaalsContact CD1-CA 3.41Å; I167-P250 HydrophobicContact CD1-CB 3.69Å; I167-P250 HydrophobicContact CD1-CG 3.73Å; I167-V254 HydrophobicContact CG1-CG2 4.07Å
168M90.3Very high87.8Confident0 Ų026 Ų260%015%0.149CC..Hα-helixtrans-68.3-34.2179.4-72.1-53.9-54.100113N164 D165 A166 A171 H172 W196 Y203 L205 A221 L228 L230N164-M168 WeakPolarHBondContact O-CG 3.13Å; N164-M168 PolarHBondContact O-N 2.87Å; D165-M168 WeakPolarHBondContact O-CB 3.3Å; D165-M168 PolarHBondContact O-N 3.33Å; D165-M168 VanDerWaalsContact O-N 3.08Å; A166-M168 VanDerWaalsContact C-N 3.25Å; A166-M168 PolarHBondContact O-N 3.44Å; M168-A171 PolarHBondContact O-N 3.32Å; M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 2.87Å; M168-W196 HydrophobicContact CB-CE3 4.31Å; M168-W196 HydrophobicContact CB-CZ3 3.71Å; M168-Y203 HydrophobicContact CB-CD1 4.34Å; M168-Y203 HydrophobicContact CE-CG 4.49Å; M168-Y203 HydrophobicContact CG-CD1 3.9Å; M168-Y203 HydrophobicContact CG-CD2 3.83Å; M168-Y203 HydrophobicContact CG-CE1 4.24Å; M168-Y203 HydrophobicContact CG-CE2 4.2Å; M168-Y203 HydrophobicContact CG-CG 3.67Å; M168-Y203 HydrophobicContact SD-CD2 4.44Å; M168-Y203 HydrophobicContact SD-CG 4.4Å; M168-L205 HydrophobicContact CE-CD1 3.55Å; M168-A221 HydrophobicContact CE-CB 3.95Å; M168-A221 HydrophobicContact CG-CB 4.45Å; M168-A221 HydrophobicContact SD-CB 3.31Å; M168-A221 WeakPolarHBondContact SD-CB 3.48Å; M168-L228 HydrophobicContact CG-CD2 4.37Å; M168-L228 HydrophobicContact SD-CD2 4.16Å; M168-L230 HydrophobicContact CE-CD2 4.25Å; M168-L230 HydrophobicContact SD-CD2 3.82Å
169V90.4Very high88.1Confident0 Ų027.4 Ų27.40%017%0.165CC..Hα-helixtrans-62.1-45.3169.7173.30000110.8L154 A158 T160 D165 A166 H172 L173 M192 W196L154-V169 HydrophobicContact CB-CG1 3.77Å; A158-V169 HydrophobicContact CB-CG2 3.49Å; A158-V169 VanDerWaalsContact CB-CG2 3.49Å; T160-V169 HydrophobicContact CG2-CG2 4.02Å; D165-V169 WeakPolarHBondContact O-CG2 3.43Å; D165-V169 PolarHBondContact O-N 2.65Å; A166-V169 PolarHBondContact O-N 3.03Å; V169-H172 WeakPolarHBondContact O-CB 3.5Å; V169-H172 PolarHBondContact O-N 3.12Å; V169-L173 PolarHBondContact O-N 3.32Å; V169-M192 HydrophobicContact CG2-CE 4.32Å; V169-M192 HydrophobicContact CG2-CG 4.43Å; V169-M192 HydrophobicContact CG2-SD 4.14Å; V169-W196 HydrophobicContact CG2-CH2 4.32Å
170V91.2Very high88.7Confident0 Ų020.9 Ų20.90%013%0.134CC..Hα-helixtrans-66.8-42.6175.9178.20000112L151 A166 I167 H172 L173 L174 F267 L270 L273L151-V170 HydrophobicContact CD1-CG2 3.87Å; A166-V170 PolarHBondContact O-N 2.81Å; I167-V170 PolarHBondContact O-N 2.59Å; V170-H172 VanDerWaalsContact C-N 3.26Å; V170-H172 PolarHBondContact O-N 2.93Å; V170-L173 PolarHBondContact O-N 3.19Å; V170-L174 HydrophobicContact CG1-CD1 3.7Å; V170-L174 HydrophobicContact CG1-CG 4.04Å; V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 VanDerWaalsContact O-CG 3.22Å; V170-L174 WeakPolarHBondContact O-CG 3.29Å; V170-L174 PolarHBondContact O-N 3.39Å; V170-F267 HydrophobicContact CB-CE1 4.46Å; V170-F267 HydrophobicContact CG2-CD1 3.88Å; V170-F267 HydrophobicContact CG2-CD2 4.4Å; V170-F267 HydrophobicContact CG2-CE1 3.24Å; V170-F267 HydrophobicContact CG2-CE2 3.86Å; V170-F267 HydrophobicContact CG2-CG 4.4Å; V170-F267 HydrophobicContact CG2-CZ 3.21Å; V170-L270 HydrophobicContact CG1-CD1 3.63Å; V170-L270 HydrophobicContact CG2-CD1 4.33Å; V170-L273 HydrophobicContact CB-CD2 4.38Å; V170-L273 HydrophobicContact CG1-CD2 3.81Å; V170-L273 HydrophobicContact CG1-CG 4.47Å
171A91.6Very high89.1Confident4 Ų422.9 Ų22.93%0.03315%0.149CC..Hα-helixtrans-61-38.5177.200000111.1I167 M168 L174 M175 L230 F277I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.49Å; I167-A171 PolarHBondContact O-N 3.17Å; M168-A171 PolarHBondContact O-N 3.32Å; A171-L174 PolarHBondContact O-N 2.9Å; A171-M175 VanDerWaalsContact O-CG 3.28Å; A171-M175 WeakPolarHBondContact O-CG 3.35Å; A171-M175 PolarHBondContact O-N 3.21Å; A171-M175 VanDerWaalsContact O-N 3.1Å; A171-L230 HydrophobicContact CB-CD2 4.49Å; A171-F277 HydrophobicContact CB-CD2 4.38Å; A171-F277 HydrophobicContact CB-CE2 3.57Å; A171-F277 HydrophobicContact CB-CZ 3.9Å
172H91.6Very high89.5Confident3 Ų318.9 Ų18.91%0.01412%0.122CC..Hα-helixtrans-61.3-52.2172178.259.7000111.4M168 V169 V170 L174 M175 L176 M192 L205 Y207M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 2.87Å; V169-H172 WeakPolarHBondContact O-CB 3.5Å; V169-H172 PolarHBondContact O-N 3.12Å; V170-H172 VanDerWaalsContact C-N 3.26Å; V170-H172 PolarHBondContact O-N 2.93Å; H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 3.23Å; H172-M175 WeakPolarHBondContact O-CB 3.44Å; H172-M175 PolarHBondContact O-N 3.12Å; H172-M175 VanDerWaalsContact O-N 3.12Å; H172-L176 WeakPolarHBondContact O-CG 3.46Å; H172-L176 PolarHBondContact O-N 3.44Å; H172-L176 VanDerWaalsContact O-N 3.07Å; H172-M192 HydrophobicContact CB-CE 4.13Å; H172-M192 HydrophobicContact CB-SD 3.88Å; H172-M192 PolarHBondContact CD2-SD 2.82Å; H172-L205 HydrophobicContact CB-CD1 4.41Å; H172-Y207 WeakPolarHBondContact CA-OH 3.44Å; H172-Y207 AromaticContact ND1-CE1 3.64Å; H172-Y207 AromaticContact ND1-CZ 3.71Å; H172-Y207 PolarHBondContact ND1-OH 2.98Å
173L91.4Very high89.2Confident9 Ų922.3 Ų22.35%0.04714%0.135CC..Hα-helixtrans-59.3-40.2176.9-179.260.6000112.8P148 L151 L154 V169 V170 M175 L176 E177P148-L173 HydrophobicContact CG-CD2 4.44Å; L151-L173 HydrophobicContact CB-CD2 3.48Å; L151-L173 VanDerWaalsContact CB-CD2 3.48Å; L151-L173 HydrophobicContact CD1-CD2 4.02Å; L151-L173 HydrophobicContact CG-CD2 4.11Å; L154-L173 HydrophobicContact CD1-CB 3.94Å; L154-L173 HydrophobicContact CD1-CD1 4.09Å; L154-L173 HydrophobicContact CD1-CG 4.44Å; V169-L173 PolarHBondContact O-N 3.32Å; V170-L173 PolarHBondContact O-N 3.19Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 2.97Å; L173-L176 CarbonylContact O-C 3.37Å; L173-L176 WeakPolarHBondContact O-CB 3.48Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-L176 VanDerWaalsContact O-N 3.09Å; L173-E177 HydrophobicContact CD1-CG 4.43Å; L173-E177 HydrophobicContact CG-CG 4.34Å; L173-E177 WeakPolarHBondContact O-CG 3.48Å; L173-E177 PolarHBondContact O-N 3.49Å
174L91.8Very high88.1Confident0 Ų021.2 Ų21.20%013%0.134CC..Hα-helixtrans-65.4-29.9178.1-70.4171000112.9C139 V170 A171 H172 T178 S274 F277C139-L174 HydrophobicContact CB-CD2 3.68Å; V170-L174 HydrophobicContact CG1-CD1 3.7Å; V170-L174 HydrophobicContact CG1-CG 4.04Å; V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 VanDerWaalsContact O-CG 3.22Å; V170-L174 WeakPolarHBondContact O-CG 3.29Å; V170-L174 PolarHBondContact O-N 3.39Å; A171-L174 PolarHBondContact O-N 2.9Å; H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-N 2.87Å; L174-T178 PolarHBondContact O-OG1 3.46Å; L174-S274 VanDerWaalsContact CD2-CB 3.5Å; L174-F277 HydrophobicContact CB-CD1 3.61Å; L174-F277 HydrophobicContact CB-CE1 3.72Å; L174-F277 HydrophobicContact CB-CG 4.37Å; L174-F277 HydrophobicContact CD1-CB 3.81Å; L174-F277 HydrophobicContact CD1-CD1 3.87Å; L174-F277 HydrophobicContact CD1-CD2 4.42Å; L174-F277 HydrophobicContact CD1-CG 3.78Å; L174-F277 HydrophobicContact CG-CD1 4.37Å
175M90.9Very high86.1Confident1 Ų125.7 Ų25.71%0.00517%0.167CC..Hα-helixtrans-68.9-44.3169.3-67.7-67.6-72.500110.6A171 H172 L173 T178 G179 F180 Y207 V217 V219 F277 L281 L285A171-M175 VanDerWaalsContact O-CG 3.28Å; A171-M175 WeakPolarHBondContact O-CG 3.35Å; A171-M175 PolarHBondContact O-N 3.21Å; A171-M175 VanDerWaalsContact O-N 3.1Å; H172-M175 WeakPolarHBondContact O-CB 3.44Å; H172-M175 PolarHBondContact O-N 3.12Å; H172-M175 VanDerWaalsContact O-N 3.12Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 2.97Å; M175-T178 WeakPolarHBondContact CA-OG1 3.31Å; M175-T178 PolarHBondContact O-N 3.12Å; M175-T178 VanDerWaalsContact O-N 3.16Å; M175-T178 PolarHBondContact O-OG1 3.05Å; M175-G179 PolarHBondContact O-N 2.93Å; M175-F180 HydrophobicContact CB-CB 4.2Å; M175-F180 HydrophobicContact CB-CD2 4.31Å; M175-F180 HydrophobicContact CE-CB 4.23Å; M175-F180 HydrophobicContact CE-CD1 3.84Å; M175-F180 HydrophobicContact CE-CD2 3.48Å; M175-F180 VanDerWaalsContact CE-CD2 3.48Å; M175-F180 HydrophobicContact CE-CE1 4.04Å; M175-F180 HydrophobicContact CE-CE2 3.67Å; M175-F180 HydrophobicContact CE-CG 3.57Å; M175-F180 HydrophobicContact CE-CZ 3.95Å; M175-F180 WeakPolarHBondContact O-CB 3.16Å; M175-F180 WeakPolarHBondContact O-CD2 3.38Å; M175-F180 PolarHBondContact O-N 3.14Å; M175-F180 VanDerWaalsContact O-N 3.08Å; M175-F180 HydrophobicContact SD-CD2 3.94Å; M175-F180 HydrophobicContact SD-CE2 4.08Å; M175-Y207 HydrophobicContact CB-CD1 4.27Å; M175-Y207 HydrophobicContact CB-CE1 3.81Å; M175-Y207 HydrophobicContact CE-CD2 3.95Å; M175-Y207 HydrophobicContact CE-CE2 4.28Å; M175-Y207 HydrophobicContact CE-CG 4.15Å; M175-Y207 HydrophobicContact CG-CE1 4.39Å; M175-Y207 HydrophobicContact CG-CE2 4.24Å; M175-V217 HydrophobicContact CE-CG1 4Å; M175-V219 HydrophobicContact CE-CG2 4.25Å; M175-F277 HydrophobicContact CG-CE1 4Å; M175-F277 HydrophobicContact CG-CZ 3.96Å; M175-F277 HydrophobicContact SD-CE1 3.86Å; M175-F277 HydrophobicContact SD-CZ 4.03Å; M175-L281 HydrophobicContact SD-CD2 3.84Å; M175-L285 HydrophobicContact CE-CD2 4.13Å
176L90.3Very high84.3Confident65 Ų6534.5 Ų34.534%0.3421%0.208SC..Hα-helixtrans-61.9-45.3175.4-56.3-177.7000111.9H172 L173 T178 G179 F180H172-L176 WeakPolarHBondContact O-CG 3.46Å; H172-L176 PolarHBondContact O-N 3.44Å; H172-L176 VanDerWaalsContact O-N 3.07Å; L173-L176 CarbonylContact O-C 3.37Å; L173-L176 WeakPolarHBondContact O-CB 3.48Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-L176 VanDerWaalsContact O-N 3.09Å; L176-T178 PolarHBondContact O-N 3.09Å; L176-T178 VanDerWaalsContact O-N 3.14Å; L176-G179 PolarHBondContact O-N 2.91Å; L176-F180 WeakPolarHBondContact CD2-O 3.33Å
177E90.6Very high82.8Confident45 Ų4537.2 Ų37.221%0.2122%0.223CC..Hα-helixtrans-59.6-22.4175.4-76.3-170.4172.300113.6L138 C139 L173 K278L138-E177 HydrophobicContact CD2-CG 3.94Å; C139-E177 WeakPolarHBondContact CB-OE1 3.37Å; C139-E177 PolarHBondContact N-OE1 3.42Å; C139-E177 PolarHBondContact SG-OE1 3.44Å; C139-E177 VanDerWaalsContact SG-OE1 3.37Å; L173-E177 HydrophobicContact CD1-CG 4.43Å; L173-E177 HydrophobicContact CG-CG 4.34Å; L173-E177 WeakPolarHBondContact O-CG 3.48Å; L173-E177 PolarHBondContact O-N 3.49Å; E177-K278 VanDerWaalsContact OE2-CE 3.29Å; E177-K278 WeakPolarHBondContact OE2-CE 3.35Å; E177-K278 IonicContact OE2-NZ 3.14Å; E177-K278 PolarHBondContact OE2-NZ 3.17Å
178T88.9Confident81.5Confident19 Ų1943.7 Ų43.712%0.11725%0.251CS..THydrogen-bonded Turntrans-95.73.8177.644.90000113.5L174 M175 L176 F180 K278 A282 Y283L174-T178 PolarHBondContact O-N 2.87Å; L174-T178 PolarHBondContact O-OG1 3.46Å; M175-T178 WeakPolarHBondContact CA-OG1 3.31Å; M175-T178 PolarHBondContact O-N 3.12Å; M175-T178 VanDerWaalsContact O-N 3.16Å; M175-T178 PolarHBondContact O-OG1 3.05Å; L176-T178 PolarHBondContact O-N 3.09Å; L176-T178 VanDerWaalsContact O-N 3.14Å; T178-F180 WeakPolarHBondContact OG1-CD2 3.49Å; T178-K278 HydrophobicContact CG2-CD 3.85Å; T178-K278 HydrophobicContact CG2-CG 3.81Å; T178-A282 HydrophobicContact CG2-CB 3.85Å; T178-Y283 HydrophobicContact CG2-CE1 4.46Å
179G87.8Confident80.1Confident37 Ų3750.1 Ų50.138%0.38129%0.292SS..THydrogen-bonded Turntrans95.77.5174.700000115M175 L176 P210M175-G179 PolarHBondContact O-N 2.93Å; L176-G179 PolarHBondContact O-N 2.91Å; G179-P210 WeakPolarHBondContact O-CD 3.4Å
180F89.2Confident79Confident8 Ų850.9 Ų50.94%0.03530%0.3CS..PPolyproline II helixtrans-75.9139.4172-68.2-85.4000111.3M175 L176 T178 Y207 T208 H209 V217 L285 I286M175-F180 HydrophobicContact CB-CB 4.2Å; M175-F180 HydrophobicContact CB-CD2 4.31Å; M175-F180 HydrophobicContact CE-CB 4.23Å; M175-F180 HydrophobicContact CE-CD1 3.84Å; M175-F180 HydrophobicContact CE-CD2 3.48Å; M175-F180 VanDerWaalsContact CE-CD2 3.48Å; M175-F180 HydrophobicContact CE-CE1 4.04Å; M175-F180 HydrophobicContact CE-CE2 3.67Å; M175-F180 HydrophobicContact CE-CG 3.57Å; M175-F180 HydrophobicContact CE-CZ 3.95Å; M175-F180 WeakPolarHBondContact O-CB 3.16Å; M175-F180 WeakPolarHBondContact O-CD2 3.38Å; M175-F180 PolarHBondContact O-N 3.14Å; M175-F180 VanDerWaalsContact O-N 3.08Å; M175-F180 HydrophobicContact SD-CD2 3.94Å; M175-F180 HydrophobicContact SD-CE2 4.08Å; L176-F180 WeakPolarHBondContact CD2-O 3.33Å; T178-F180 WeakPolarHBondContact OG1-CD2 3.49Å; F180-Y207 HydrophobicContact CB-CD1 4.03Å; F180-Y207 HydrophobicContact CB-CG 4.37Å; F180-T208 WeakPolarHBondContact CA-O 3.43Å; F180-H209 HydrophobicContact CD1-CB 3.73Å; F180-H209 AromaticContact CD1-CD2 3.63Å; F180-H209 AromaticContact CD2-CD2 3.99Å; F180-H209 HydrophobicContact CE1-CB 3.71Å; F180-H209 AromaticContact CE1-CD2 3.64Å; F180-H209 AromaticContact CE1-CG 3.96Å; F180-H209 AromaticContact CG-CD2 3.8Å; F180-H209 AromaticContact CZ-CD2 3.85Å; F180-V217 HydrophobicContact CD1-CG2 4.45Å; F180-V217 HydrophobicContact CE1-CG2 3.83Å; F180-L285 HydrophobicContact CE1-CD2 4.14Å; F180-L285 HydrophobicContact CE2-CD2 4.46Å; F180-L285 HydrophobicContact CZ-CD2 3.7Å; F180-L285 HydrophobicContact CZ-CG 4.24Å; F180-I286 HydrophobicContact CE1-CG1 4.44Å; F180-I286 HydrophobicContact CE2-CD1 3.87Å; F180-I286 HydrophobicContact CE2-CG1 3.91Å; F180-I286 HydrophobicContact CZ-CD1 4Å; F180-I286 HydrophobicContact CZ-CG1 3.51Å
181S88.8Confident78.5Confident56 Ų5654.7 Ų54.739%0.39232%0.318SS..EExtended strand (participates in β ladder)trans-100131168.544.70000109.7Y207 T208S181-Y207 CarbonylContact O-C 3.32Å; S181-Y207 VanDerWaalsContact O-CA 3.23Å; S181-Y207 WeakPolarHBondContact O-CA 3.31Å; S181-T208 PolarHBondContact N-O 3.36Å; S181-T208 PolarHBondContact O-N 3.21Å; S181-T208 PolarHBondContact OG-O 3.17Å; S181-T208 VanDerWaalsContact OG-O 3.12Å; S181-T208 PolarHBondContact OG-OG1 3.24Å
182A87.5Confident78.1Confident22 Ų2255.5 Ų55.518%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-74.9136.3177.400000111.3G184 L187 P193 H206 Y207A182-G184 PolarHBondContact O-N 2.78Å; A182-L187 HydrophobicContact CB-CD1 4.01Å; A182-P193 HydrophobicContact CB-CG 3.9Å; A182-H206 WeakPolarHBondContact CA-O 3.28Å; A182-Y207 HydrophobicContact CB-CD1 3.99Å; A182-Y207 HydrophobicContact CB-CE1 3.95Å
183Q77.4Confident77.8Confident105 Ų10555.9 Ų55.949%0.49132%0.324SS..  trans-89.8100.3179.8-169.2-178.348.800109.9H206Q183-H206 HydrophobicContact CB-CB 3.93Å; Q183-H206 PolarHBondContact N-O 3.5Å
184G62.8Low77.2Confident39 Ų3960.4 Ų60.440%0.40236%0.362SS..SBendtrans177.2146.3177.500000109.3A182 E186A182-G184 PolarHBondContact O-N 2.78Å; G184-E186 PolarHBondContact O-N 3.48Å
185S47.2Very low76.6Confident115 Ų11563.3 Ų63.380%0.80439%0.393SS*.THydrogen-bonded Turntrans-32119.3-176.1-177.70000114.8L187S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.07Å
186E51.8Low76.4Confident194 Ų19464.1 Ų64.191%0.90740%0.396SS*.THydrogen-bonded Turntrans14.365.1168.7-66.2-174.3171.500115.4G184 K188G184-E186 PolarHBondContact O-N 3.48Å; E186-K188 PolarHBondContact O-N 3.33Å
187L57.7Low76.2Confident58 Ų5866.2 Ų66.230%0.30440%0.399SS..  trans-68.9127.9-177.1-69167.5000109.7A182 S185 P193A182-L187 HydrophobicContact CB-CD1 4.01Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.07Å; L187-P193 HydrophobicContact CD1-CB 4.08Å; L187-P193 HydrophobicContact CD1-CG 3.76Å
188K61.9Low75.8Confident138 Ų13867.1 Ų67.160%0.641%0.41SS*.  trans-61.7141.6165.3-65.9179.5-165.4153.60108.8E186 G190 E191E186-K188 PolarHBondContact O-N 3.33Å; K188-G190 PolarHBondContact O-N 2.92Å; K188-E191 HydrophobicContact CB-CG 4.49Å; K188-E191 IonicContact NZ-OE1 3.32Å; K188-E191 PolarHBondContact O-N 2.84Å
189P61.1Low75Confident135 Ų13571.6 Ų71.688%0.87745%0.449SS*.THydrogen-bonded Turntrans-62108.9175.526.2-33.5000109.3
190G67.9Low74.4Confident15 Ų1578 Ų7816%0.15547%0.469CS..THydrogen-bonded Turntrans119.33.4-177.700000116.3L154 T157 K188L154-G190 VanDerWaalsContact CD2-C 3.44Å; L154-G190 WeakPolarHBondContact CD2-O 3.32Å; T157-G190 PolarHBondContact OG1-O 3.18Å; K188-G190 PolarHBondContact O-N 2.92Å
191E80.3Confident73.8Confident81 Ų8178.4 Ų78.438%0.37948%0.476SS..  trans-110.6142.2174-70.1177.8-168.200112.3K188K188-E191 HydrophobicContact CB-CG 4.49Å; K188-E191 IonicContact NZ-OE1 3.32Å; K188-E191 PolarHBondContact O-N 2.84Å
192M84.3Confident73.8Confident21 Ų2177.5 Ų77.510%0.10347%0.468CS..PPolyproline II helixtrans-75.3141.4176.6-73.9-68.9-70.200112L154 A158 V169 H172 W196L154-M192 HydrophobicContact CD2-CG 4.2Å; L154-M192 HydrophobicContact CD2-SD 4.17Å; A158-M192 HydrophobicContact CB-CG 3.88Å; V169-M192 HydrophobicContact CG2-CE 4.32Å; V169-M192 HydrophobicContact CG2-CG 4.43Å; V169-M192 HydrophobicContact CG2-SD 4.14Å; H172-M192 HydrophobicContact CB-CE 4.13Å; H172-M192 HydrophobicContact CB-SD 3.88Å; H172-M192 PolarHBondContact CD2-SD 2.82Å; M192-W196 HydrophobicContact CB-CG 4.32Å; M192-W196 HydrophobicContact CE-CB 4.29Å; M192-W196 HydrophobicContact CE-CD2 3.4Å; M192-W196 HydrophobicContact CE-CE3 3.54Å; M192-W196 HydrophobicContact CE-CG 3.77Å; M192-W196 HydrophobicContact CE-CH2 4.25Å; M192-W196 HydrophobicContact CE-CZ2 4.16Å; M192-W196 HydrophobicContact CE-CZ3 3.98Å
193P84.6Confident73.9Confident10 Ų1076.8 Ų76.87%0.06546%0.461CS..PPolyproline II helixtrans-58.5140.2179.7-25.734.4000114.2A182 L187 G195 W196 L205A182-P193 HydrophobicContact CB-CG 3.9Å; L187-P193 HydrophobicContact CD1-CB 4.08Å; L187-P193 HydrophobicContact CD1-CG 3.76Å; P193-G195 PolarHBondContact O-N 2.87Å; P193-W196 VanDerWaalsContact O-CB 3.31Å; P193-W196 WeakPolarHBondContact O-CB 3.48Å; P193-W196 PolarHBondContact O-N 2.8Å; P193-L205 HydrophobicContact CB-CD2 4.05Å; P193-L205 HydrophobicContact CG-CD2 3.67Å
194A78.8Confident74.5Confident104 Ų10478.5 Ų78.586%0.8646%0.463SS*.THydrogen-bonded Turntrans-57.1133.4178.700000112.2W196A194-W196 VanDerWaalsContact C-N 3.34Å; A194-W196 PolarHBondContact O-N 2.85Å
195G79.6Confident75.8Confident62 Ų6276.7 Ų76.764%0.63944%0.444SS*.THydrogen-bonded Turntrans77.59.2-179.700000115.7P193 R197P193-G195 PolarHBondContact O-N 2.87Å; G195-R197 PolarHBondContact O-N 2.96Å
196W85.2Confident77.9Confident18 Ų1874.1 Ų74.17%0.06842%0.419CS..  trans-57.8-31.5-177.171.6-87.6000115A158 D165 M168 V169 M192 P193 A194 Y203 R204 L205A158-W196 HydrophobicContact CB-CZ2 4.2Å; D165-W196 HydrophobicContact CB-CH2 3.91Å; M168-W196 HydrophobicContact CB-CE3 4.31Å; M168-W196 HydrophobicContact CB-CZ3 3.71Å; V169-W196 HydrophobicContact CG2-CH2 4.32Å; M192-W196 HydrophobicContact CB-CG 4.32Å; M192-W196 HydrophobicContact CE-CB 4.29Å; M192-W196 HydrophobicContact CE-CD2 3.4Å; M192-W196 HydrophobicContact CE-CE3 3.54Å; M192-W196 HydrophobicContact CE-CG 3.77Å; M192-W196 HydrophobicContact CE-CH2 4.25Å; M192-W196 HydrophobicContact CE-CZ2 4.16Å; M192-W196 HydrophobicContact CE-CZ3 3.98Å; P193-W196 VanDerWaalsContact O-CB 3.31Å; P193-W196 WeakPolarHBondContact O-CB 3.48Å; P193-W196 PolarHBondContact O-N 2.8Å; A194-W196 VanDerWaalsContact C-N 3.34Å; A194-W196 PolarHBondContact O-N 2.85Å; W196-Y203 AromaticContact CE3-CD1 3.68Å; W196-Y203 HydrophobicContact CE3-CD1 3.68Å; W196-Y203 HydrophobicContact CE3-CE1 4.3Å; W196-Y203 HydrophobicContact CH2-CE1 4.47Å; W196-Y203 AromaticContact CZ3-CD1 3.52Å; W196-Y203 HydrophobicContact CZ3-CD1 3.52Å; W196-Y203 AromaticContact CZ3-CE1 3.71Å; W196-Y203 HydrophobicContact CZ3-CE1 3.71Å; W196-Y203 CarbonylContact O-C 3.53Å; W196-Y203 WeakPolarHBondContact O-CA 3.08Å; W196-Y203 WeakPolarHBondContact O-CB 3.35Å; W196-R204 WeakPolarHBondContact CA-O 3.48Å; W196-R204 PolarHBondContact O-N 3.39Å; W196-L205 HydrophobicContact CB-CD2 3.6Å; W196-L205 HydrophobicContact CB-CG 4.26Å
197R86Confident79.8Confident109 Ų10964.9 Ų64.941%0.41138%0.376SS..BIsolated β-bridgetrans-109.3130.3176.165.6179.8-177.4-167.1-4.3110.9A158 Q159 G195 Y203A158-R197 PolarHBondContact O-NH1 3.25Å; Q159-R197 PolarHBondContact O-NH1 2.82Å; Q159-R197 VanDerWaalsContact O-NH1 3.1Å; G195-R197 PolarHBondContact O-N 2.96Å; R197-Y203 HydrophobicContact CB-CD1 3.93Å; R197-Y203 HydrophobicContact CB-CE1 4.04Å
198S83.8Confident81.3Confident63 Ų6364.5 Ų64.544%0.44138%0.376SS..  trans-103.8151.2168.8-58.70000110.3E200 G201 V202S198-E200 PolarHBondContact O-N 3.11Å; S198-G201 PolarHBondContact O-N 3.3Å; S198-V202 VanDerWaalsContact CB-O 3.29Å; S198-V202 WeakPolarHBondContact CB-O 3.45Å; S198-V202 PolarHBondContact N-O 3.28Å
199A71.8Confident82.6Confident114 Ų11458.4 Ų58.494%0.94235%0.35SS*.THydrogen-bonded Turntrans-60.8-18.3-176.200000114.6G201A199-G201 VanDerWaalsContact C-N 3.33Å; A199-G201 PolarHBondContact O-N 3.18Å
200E74Confident83.8Confident170 Ų17056.4 Ų56.479%0.79434%0.337SS*.THydrogen-bonded Turntrans-87.112.5-178.5-58.3-176.2155.800114.2S198 V202S198-E200 PolarHBondContact O-N 3.11Å; E200-V202 VanDerWaalsContact C-N 3.26Å; E200-V202 PolarHBondContact O-N 2.99Å
201G77.7Confident84.4Confident18 Ų1859.9 Ų59.919%0.18635%0.351CS..SBendtrans72.122-176.900000113.7S198 A199 S223S198-G201 PolarHBondContact O-N 3.3Å; A199-G201 VanDerWaalsContact C-N 3.33Å; A199-G201 PolarHBondContact O-N 3.18Å; G201-S223 PolarHBondContact O-N 3.47Å; G201-S223 PolarHBondContact O-OG 2.92Å; G201-S223 VanDerWaalsContact O-OG 3.14Å
202V88.2Confident84.3Confident36 Ų3656.1 Ų56.122%0.21833%0.334CS..EExtended strand (participates in β ladder)trans-107.7135.1174.1-179.10000108.9S198 E200 V220 A221 V222S198-V202 VanDerWaalsContact CB-O 3.29Å; S198-V202 WeakPolarHBondContact CB-O 3.45Å; S198-V202 PolarHBondContact N-O 3.28Å; E200-V202 VanDerWaalsContact C-N 3.26Å; E200-V202 PolarHBondContact O-N 2.99Å; V202-V220 HydrophobicContact CG1-CG1 4.19Å; V202-A221 WeakPolarHBondContact CA-O 3.45Å; V202-V222 HydrophobicContact CG1-CG2 4.46Å; V202-V222 HydrophobicContact CG2-CG2 4.48Å
203Y89.9Confident83.7Confident7 Ų763.5 Ų63.53%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-118.3140.3179.1-48.2-93.1000109.5S162 N164 D165 M168 W196 R197 V220 A221 L228S162-Y203 PolarHBondContact OG-OH 3.39Å; N164-Y203 HydrophobicContact CB-CE2 4.06Å; N164-Y203 VanDerWaalsContact CB-OH 3.29Å; N164-Y203 WeakPolarHBondContact CB-OH 3.33Å; D165-Y203 PolarHBondContact N-OH 3.43Å; D165-Y203 WeakPolarHBondContact OD1-CE1 3.29Å; D165-Y203 PolarHBondContact OD1-OH 2.91Å; M168-Y203 HydrophobicContact CB-CD1 4.34Å; M168-Y203 HydrophobicContact CE-CG 4.49Å; M168-Y203 HydrophobicContact CG-CD1 3.9Å; M168-Y203 HydrophobicContact CG-CD2 3.83Å; M168-Y203 HydrophobicContact CG-CE1 4.24Å; M168-Y203 HydrophobicContact CG-CE2 4.2Å; M168-Y203 HydrophobicContact CG-CG 3.67Å; M168-Y203 HydrophobicContact SD-CD2 4.44Å; M168-Y203 HydrophobicContact SD-CG 4.4Å; W196-Y203 AromaticContact CE3-CD1 3.68Å; W196-Y203 HydrophobicContact CE3-CD1 3.68Å; W196-Y203 HydrophobicContact CE3-CE1 4.3Å; W196-Y203 HydrophobicContact CH2-CE1 4.47Å; W196-Y203 AromaticContact CZ3-CD1 3.52Å; W196-Y203 HydrophobicContact CZ3-CD1 3.52Å; W196-Y203 AromaticContact CZ3-CE1 3.71Å; W196-Y203 HydrophobicContact CZ3-CE1 3.71Å; W196-Y203 CarbonylContact O-C 3.53Å; W196-Y203 WeakPolarHBondContact O-CA 3.08Å; W196-Y203 WeakPolarHBondContact O-CB 3.35Å; R197-Y203 HydrophobicContact CB-CD1 3.93Å; R197-Y203 HydrophobicContact CB-CE1 4.04Å; Y203-V220 CarbonylContact O-C 3.58Å; Y203-V220 VanDerWaalsContact O-CA 3.32Å; Y203-V220 WeakPolarHBondContact O-CA 3.48Å; Y203-A221 HydrophobicContact CD2-CB 3.99Å; Y203-A221 PolarHBondContact N-O 3.48Å; Y203-A221 PolarHBondContact O-N 3.26Å; Y203-L228 HydrophobicContact CD2-CD1 4.5Å; Y203-L228 HydrophobicContact CE2-CD1 4.27Å
204R90.7Very high83.3Confident141 Ų14168.1 Ų68.153%0.53239%0.392SS..EExtended strand (participates in β ladder)trans-136.9122.8179.2-172.3-178.4-61.6171.63.3110W196 H206 T218 V219W196-R204 WeakPolarHBondContact CA-O 3.48Å; W196-R204 PolarHBondContact O-N 3.39Å; R204-H206 WeakPolarHBondContact CD-NE2 3.32Å; R204-T218 HydrophobicContact CG-CG2 4.33Å; R204-V219 WeakPolarHBondContact CA-O 3.29Å
205L90.3Very high83.4Confident2 Ų263.3 Ų63.31%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-131.7133.8178.8-69.2159000108.5M168 H172 P193 W196 Y207 V219M168-L205 HydrophobicContact CE-CD1 3.55Å; H172-L205 HydrophobicContact CB-CD1 4.41Å; P193-L205 HydrophobicContact CB-CD2 4.05Å; P193-L205 HydrophobicContact CG-CD2 3.67Å; W196-L205 HydrophobicContact CB-CD2 3.6Å; W196-L205 HydrophobicContact CB-CG 4.26Å; L205-Y207 HydrophobicContact CB-CD2 4.39Å; L205-Y207 HydrophobicContact CB-CE2 3.48Å; L205-Y207 VanDerWaalsContact CB-CE2 3.48Å; L205-Y207 WeakPolarHBondContact CD1-OH 3.38Å; L205-V219 HydrophobicContact CB-CB 4.38Å; L205-V219 PolarHBondContact N-O 3.15Å; L205-V219 PolarHBondContact O-N 3.42Å
206H91.3Very high83.8Confident60 Ų6062.7 Ų62.728%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-109140.5177.9-64.5-74.3000109.2A182 Q183 R204 L216 V217 T218A182-H206 WeakPolarHBondContact CA-O 3.28Å; Q183-H206 HydrophobicContact CB-CB 3.93Å; Q183-H206 PolarHBondContact N-O 3.5Å; R204-H206 WeakPolarHBondContact CD-NE2 3.32Å; H206-L216 HydrophobicContact CB-CD1 4.39Å; H206-V217 CarbonylContact C-O 3.57Å; H206-V217 WeakPolarHBondContact CA-O 3.43Å; H206-T218 VanDerWaalsContact CE1-CG2 3.41Å; H206-T218 WeakPolarHBondContact CE1-CG2 3.06Å; H206-T218 PolarHBondContact CE1-OG1 3.39Å; H206-T218 PolarHBondContact ND1-OG1 2.93Å
207Y90.9Very high84Confident1 Ų161.9 Ų61.90%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-141.7149.7-177.5-58.2-89.9000111.8H172 M175 F180 S181 A182 L205 V217 V219H172-Y207 WeakPolarHBondContact CA-OH 3.44Å; H172-Y207 AromaticContact ND1-CE1 3.64Å; H172-Y207 AromaticContact ND1-CZ 3.71Å; H172-Y207 PolarHBondContact ND1-OH 2.98Å; M175-Y207 HydrophobicContact CB-CD1 4.27Å; M175-Y207 HydrophobicContact CB-CE1 3.81Å; M175-Y207 HydrophobicContact CE-CD2 3.95Å; M175-Y207 HydrophobicContact CE-CE2 4.28Å; M175-Y207 HydrophobicContact CE-CG 4.15Å; M175-Y207 HydrophobicContact CG-CE1 4.39Å; M175-Y207 HydrophobicContact CG-CE2 4.24Å; F180-Y207 HydrophobicContact CB-CD1 4.03Å; F180-Y207 HydrophobicContact CB-CG 4.37Å; S181-Y207 CarbonylContact O-C 3.32Å; S181-Y207 VanDerWaalsContact O-CA 3.23Å; S181-Y207 WeakPolarHBondContact O-CA 3.31Å; A182-Y207 HydrophobicContact CB-CD1 3.99Å; A182-Y207 HydrophobicContact CB-CE1 3.95Å; L205-Y207 HydrophobicContact CB-CD2 4.39Å; L205-Y207 HydrophobicContact CB-CE2 3.48Å; L205-Y207 VanDerWaalsContact CB-CE2 3.48Å; L205-Y207 WeakPolarHBondContact CD1-OH 3.38Å; Y207-V217 HydrophobicContact CD2-CG1 4.25Å; Y207-V217 PolarHBondContact N-O 3.31Å; Y207-V217 PolarHBondContact O-N 2.74Å; Y207-V219 HydrophobicContact CD2-CG2 3.86Å; Y207-V219 HydrophobicContact CE2-CB 4.12Å; Y207-V219 HydrophobicContact CE2-CG2 3.63Å
208T89.6Confident84.2Confident50 Ų5057.4 Ų57.431%0.30732%0.316SS..EExtended strand (participates in β ladder)trans-117.8157.2167.647.80000109F180 S181 L216F180-T208 WeakPolarHBondContact CA-O 3.43Å; S181-T208 PolarHBondContact N-O 3.36Å; S181-T208 PolarHBondContact O-N 3.21Å; S181-T208 PolarHBondContact OG-O 3.17Å; S181-T208 VanDerWaalsContact OG-O 3.12Å; S181-T208 PolarHBondContact OG-OG1 3.24Å; T208-L216 HydrophobicContact CG2-CD1 4.48Å
209H89.4Confident84.5Confident10 Ų1054.5 Ų54.55%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-130.3127-179.7-168.2-84000109.9F180 L211 C212F180-H209 HydrophobicContact CD1-CB 3.73Å; F180-H209 AromaticContact CD1-CD2 3.63Å; F180-H209 AromaticContact CD2-CD2 3.99Å; F180-H209 HydrophobicContact CE1-CB 3.71Å; F180-H209 AromaticContact CE1-CD2 3.64Å; F180-H209 AromaticContact CE1-CG 3.96Å; F180-H209 AromaticContact CG-CD2 3.8Å; F180-H209 AromaticContact CZ-CD2 3.85Å; H209-L211 VanDerWaalsContact C-N 3.26Å; H209-L211 WeakPolarHBondContact ND1-CB 3.35Å; H209-L211 PolarHBondContact ND1-N 2.9Å; H209-L211 VanDerWaalsContact ND1-N 3.19Å; H209-L211 PolarHBondContact O-N 3.19Å; H209-C212 HydrophobicContact CB-CB 4.3Å; H209-C212 CarbonylContact O-C 3.6Å; H209-C212 WeakPolarHBondContact O-CA 2.99Å; H209-C212 PolarHBondContact O-N 3.38Å
210P85.1Confident85.5Confident93 Ų9350.8 Ų50.860%0.60426%0.261SS*.THydrogen-bonded Turntrans-64.2-28.8-173.225-33.8000113.2G179 C212G179-P210 WeakPolarHBondContact O-CD 3.4Å; P210-C212 PolarHBondContact O-N 3.38Å
211L80.9Confident86.3Confident87 Ų8742.7 Ų42.746%0.45522%0.223SC..THydrogen-bonded Turntrans-76.90.4173.5-51.6-177.8000114.5H209H209-L211 VanDerWaalsContact C-N 3.26Å; H209-L211 WeakPolarHBondContact ND1-CB 3.35Å; H209-L211 PolarHBondContact ND1-N 2.9Å; H209-L211 VanDerWaalsContact ND1-N 3.19Å; H209-L211 PolarHBondContact O-N 3.19Å
212C78Confident86.9Confident2 Ų243.8 Ų43.81%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-138.569.4-177.2-54.30000109.7H209 P210 N214 S215 A289H209-C212 HydrophobicContact CB-CB 4.3Å; H209-C212 CarbonylContact O-C 3.6Å; H209-C212 WeakPolarHBondContact O-CA 2.99Å; H209-C212 PolarHBondContact O-N 3.38Å; P210-C212 PolarHBondContact O-N 3.38Å; C212-N214 PolarHBondContact O-N 3.49Å; C212-S215 WeakPolarHBondContact CB-OG 3.31Å; C212-S215 PolarHBondContact O-N 3.1Å; C212-S215 PolarHBondContact O-OG 3.47Å; C212-A289 HydrophobicContact CB-CB 4.25Å
213E73.1Confident86.8Confident176 Ų17643.9 Ų43.982%0.82223%0.228SC*.EExtended strand (participates in β ladder)trans-43.1-38.7-162.9-64.3177.7152.800116.1
214N74.3Confident86.6Confident108 Ų10849.1 Ų49.158%0.57826%0.255SS*.EExtended strand (participates in β ladder)trans-115.510-175.2-65.5-34.5000114.8C212 P237C212-N214 PolarHBondContact O-N 3.49Å; N214-P237 HydrophobicContact CB-CG 4.18Å; N214-P237 WeakPolarHBondContact O-CD 3.48Å
215S82.1Confident86.3Confident3 Ų345.5 Ų45.52%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-91.4127.1-177.377.20000112.3C212C212-S215 WeakPolarHBondContact CB-OG 3.31Å; C212-S215 PolarHBondContact O-N 3.1Å; C212-S215 PolarHBondContact O-OG 3.47Å
216L87.9Confident86.1Confident48 Ų4850.2 Ų50.225%0.25129%0.291SS..EExtended strand (participates in β ladder)trans-100.3115.7173.7178.165.9000110.3H206 T208 K235H206-L216 HydrophobicContact CB-CD1 4.39Å; T208-L216 HydrophobicContact CG2-CD1 4.48Å; L216-K235 HydrophobicContact CB-CB 4.38Å; L216-K235 PolarHBondContact N-O 3.37Å; L216-K235 PolarHBondContact O-N 3.07Å
217V89.1Confident86Confident1 Ų149.7 Ų49.71%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-89126.7172168.80000109.4M175 F180 H206 Y207 V219 V232 L234 L285M175-V217 HydrophobicContact CE-CG1 4Å; F180-V217 HydrophobicContact CD1-CG2 4.45Å; F180-V217 HydrophobicContact CE1-CG2 3.83Å; H206-V217 CarbonylContact C-O 3.57Å; H206-V217 WeakPolarHBondContact CA-O 3.43Å; Y207-V217 HydrophobicContact CD2-CG1 4.25Å; Y207-V217 PolarHBondContact N-O 3.31Å; Y207-V217 PolarHBondContact O-N 2.74Å; V217-V219 HydrophobicContact CG1-CG2 4.07Å; V217-V232 HydrophobicContact CG1-CG1 3.62Å; V217-L234 HydrophobicContact CG2-CD1 3.45Å; V217-L234 VanDerWaalsContact CG2-CD1 3.45Å; V217-L285 HydrophobicContact CB-CD2 4.47Å; V217-L285 HydrophobicContact CG1-CD2 3.76Å; V217-L285 HydrophobicContact CG2-CD1 4.17Å; V217-L285 HydrophobicContact CG2-CD2 3.82Å; V217-L285 HydrophobicContact CG2-CG 4.12Å
218T90.4Very high85.9Confident15 Ų1549.6 Ų49.69%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-116112.5170.1-580000109.6R204 H206 V220 V232 V233R204-T218 HydrophobicContact CG-CG2 4.33Å; H206-T218 VanDerWaalsContact CE1-CG2 3.41Å; H206-T218 WeakPolarHBondContact CE1-CG2 3.06Å; H206-T218 PolarHBondContact CE1-OG1 3.39Å; H206-T218 PolarHBondContact ND1-OG1 2.93Å; T218-V220 HydrophobicContact CG2-CG2 3.9Å; T218-V232 WeakPolarHBondContact O-CA 3.4Å; T218-V233 PolarHBondContact N-O 2.8Å; T218-V233 PolarHBondContact O-N 3.29Å
219V90.9Very high86Confident3 Ų348 Ų482%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-91.2117.6172.4179.50000108.2M175 R204 L205 Y207 V217 L230 V232M175-V219 HydrophobicContact CE-CG2 4.25Å; R204-V219 WeakPolarHBondContact CA-O 3.29Å; L205-V219 HydrophobicContact CB-CB 4.38Å; L205-V219 PolarHBondContact N-O 3.15Å; L205-V219 PolarHBondContact O-N 3.42Å; Y207-V219 HydrophobicContact CD2-CG2 3.86Å; Y207-V219 HydrophobicContact CE2-CB 4.12Å; Y207-V219 HydrophobicContact CE2-CG2 3.63Å; V217-V219 HydrophobicContact CG1-CG2 4.07Å; V219-L230 HydrophobicContact CG1-CD2 3.76Å; V219-V232 HydrophobicContact CB-CG2 4.36Å; V219-V232 HydrophobicContact CG1-CG2 4.18Å; V219-V232 HydrophobicContact CG2-CG1 3.96Å; V219-V232 HydrophobicContact CG2-CG2 3.89Å
220V91Very high86.1Confident36 Ų3647.5 Ų47.522%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-115.5116.4172.9-174.20000108.8V202 Y203 T218 V222 N231V202-V220 HydrophobicContact CG1-CG1 4.19Å; Y203-V220 CarbonylContact O-C 3.58Å; Y203-V220 VanDerWaalsContact O-CA 3.32Å; Y203-V220 WeakPolarHBondContact O-CA 3.48Å; T218-V220 HydrophobicContact CG2-CG2 3.9Å; V220-V222 HydrophobicContact CG1-CG2 4.33Å; V220-N231 PolarHBondContact N-O 3.14Å; V220-N231 PolarHBondContact O-N 3.08Å; V220-N231 VanDerWaalsContact O-O 3.07Å
221A90.7Very high86.4Confident0 Ų045.7 Ų45.70%026%0.263CS..EExtended strand (participates in β ladder)trans-106.1138.517300000111.1M168 V202 Y203 L228 V229 L230M168-A221 HydrophobicContact CE-CB 3.95Å; M168-A221 HydrophobicContact CG-CB 4.45Å; M168-A221 HydrophobicContact SD-CB 3.31Å; M168-A221 WeakPolarHBondContact SD-CB 3.48Å; V202-A221 WeakPolarHBondContact CA-O 3.45Å; Y203-A221 HydrophobicContact CD2-CB 3.99Å; Y203-A221 PolarHBondContact N-O 3.48Å; Y203-A221 PolarHBondContact O-N 3.26Å; A221-L228 HydrophobicContact CB-CD1 4.05Å; A221-L228 HydrophobicContact CB-CG 4.43Å; A221-V229 CarbonylContact C-O 3.55Å; A221-V229 VanDerWaalsContact CA-O 3.26Å; A221-V229 WeakPolarHBondContact CA-O 3.36Å; A221-L230 HydrophobicContact CB-CD2 3.91Å; A221-L230 HydrophobicContact CB-CG 3.99Å
222V91.1Very high86.8Confident40 Ų4041.6 Ų41.624%0.24224%0.242CC..EExtended strand (participates in β ladder)trans-128.6125.2-180-176.90000109V202 V220 M224 V229V202-V222 HydrophobicContact CG1-CG2 4.46Å; V202-V222 HydrophobicContact CG2-CG2 4.48Å; V220-V222 HydrophobicContact CG1-CG2 4.33Å; V222-M224 HydrophobicContact CG1-CG 4.3Å; V222-M224 HydrophobicContact CG1-SD 4.05Å; V222-M224 PolarHBondContact O-N 3.29Å; V222-V229 PolarHBondContact N-O 3.18Å; V222-V229 PolarHBondContact O-N 3.02Å
223S86.8Confident87.4Confident38 Ų3843.3 Ų43.327%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-75.7119.7172.458.30000111N164 G201N164-S223 WeakPolarHBondContact ND2-CB 3.28Å; G201-S223 PolarHBondContact O-N 3.47Å; G201-S223 PolarHBondContact O-OG 2.92Å; G201-S223 VanDerWaalsContact O-OG 3.14Å
224M85.9Confident88.1Confident118 Ų11834.9 Ų34.958%0.58121%0.213SC*.EExtended strand (participates in β ladder)trans-118.576.1-179.9-67.2-63.4-65.300109.2V222 L227 V229V222-M224 HydrophobicContact CG1-CG 4.3Å; V222-M224 HydrophobicContact CG1-SD 4.05Å; V222-M224 PolarHBondContact O-N 3.29Å; M224-L227 CarbonylContact C-O 3.59Å; M224-L227 PolarHBondContact N-O 3.08Å; M224-L227 PolarHBondContact O-N 3.4Å; M224-V229 HydrophobicContact CB-CG2 4.36Å; M224-V229 HydrophobicContact CG-CG2 3.95Å
225G84.3Confident88.6Confident64 Ų6434.5 Ų34.566%0.6621%0.206SC*.THydrogen-bonded Turntrans62.8-122.9-173.800000111.5L227G225-L227 PolarHBondContact O-N 3.01Å
226P85.3Confident88.6Confident101 Ų10134.7 Ų34.766%0.65621%0.207SC*.THydrogen-bonded Turntrans-80.912.117936.5-36.9000113.7P250P226-P250 WeakPolarHBondContact O-CD 3.43Å
227L88.6Confident87.8Confident49 Ų4936.8 Ų36.826%0.25722%0.223SC..EExtended strand (participates in β ladder)trans-123139.4-177.1-59.3173000110.3M224 G225 L247 L248 K249M224-L227 CarbonylContact C-O 3.59Å; M224-L227 PolarHBondContact N-O 3.08Å; M224-L227 PolarHBondContact O-N 3.4Å; G225-L227 PolarHBondContact O-N 3.01Å; L227-L247 HydrophobicContact CB-CD1 3.98Å; L227-L247 HydrophobicContact CD1-CD1 4.21Å; L227-L247 HydrophobicContact CD2-CD1 4.5Å; L227-L247 HydrophobicContact CG-CD1 4.46Å; L227-L248 WeakPolarHBondContact CA-O 3.28Å; L227-K249 HydrophobicContact CD2-CD 4.24Å; L227-K249 HydrophobicContact CD2-CG 3.48Å; L227-K249 VanDerWaalsContact CD2-CG 3.48Å
228L89.3Confident86.8Confident0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-105.5120169.3-174.164.8000108.6N164 I167 M168 Y203 A221 L230 L248N164-L228 HydrophobicContact CB-CD1 4.19Å; I167-L228 HydrophobicContact CB-CD2 3.88Å; I167-L228 HydrophobicContact CD1-CD2 4.07Å; I167-L228 HydrophobicContact CG2-CD2 3.76Å; M168-L228 HydrophobicContact CG-CD2 4.37Å; M168-L228 HydrophobicContact SD-CD2 4.16Å; Y203-L228 HydrophobicContact CD2-CD1 4.5Å; Y203-L228 HydrophobicContact CE2-CD1 4.27Å; A221-L228 HydrophobicContact CB-CD1 4.05Å; A221-L228 HydrophobicContact CB-CG 4.43Å; L228-L230 HydrophobicContact CD2-CD1 4.47Å; L228-L248 PolarHBondContact N-O 3.41Å; L228-L248 PolarHBondContact O-N 3.16Å
229V91.6Very high85.7Confident15 Ų1547.3 Ų47.39%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-100.7111.9177.2-179.30000108.6A221 V222 M224 K245 L247A221-V229 CarbonylContact C-O 3.55Å; A221-V229 VanDerWaalsContact CA-O 3.26Å; A221-V229 WeakPolarHBondContact CA-O 3.36Å; V222-V229 PolarHBondContact N-O 3.18Å; V222-V229 PolarHBondContact O-N 3.02Å; M224-V229 HydrophobicContact CB-CG2 4.36Å; M224-V229 HydrophobicContact CG-CG2 3.95Å; V229-K245 HydrophobicContact CG1-CD 4.35Å; V229-K245 HydrophobicContact CG1-CG 4.2Å; V229-L247 HydrophobicContact CG2-CD1 3.72Å
230L91.6Very high84.5Confident0 Ų054.5 Ų54.50%031%0.312CS..EExtended strand (participates in β ladder)trans-93.1112170.7-75.3130.6000108.9M168 A171 V219 A221 L228 K245 L246 L248 F277 L281M168-L230 HydrophobicContact CE-CD2 4.25Å; M168-L230 HydrophobicContact SD-CD2 3.82Å; A171-L230 HydrophobicContact CB-CD2 4.49Å; V219-L230 HydrophobicContact CG1-CD2 3.76Å; A221-L230 HydrophobicContact CB-CD2 3.91Å; A221-L230 HydrophobicContact CB-CG 3.99Å; L228-L230 HydrophobicContact CD2-CD1 4.47Å; L230-K245 CarbonylContact O-C 3.58Å; L230-K245 WeakPolarHBondContact O-CA 3.26Å; L230-L246 HydrophobicContact CB-CB 4.23Å; L230-L246 HydrophobicContact CD1-CD2 4.31Å; L230-L246 PolarHBondContact N-O 2.81Å; L230-L246 PolarHBondContact O-N 3.16Å; L230-L248 HydrophobicContact CD1-CD1 3.49Å; L230-L248 VanDerWaalsContact CD1-CD1 3.49Å; L230-L248 HydrophobicContact CD1-CG 4.07Å; L230-F277 HydrophobicContact CD2-CE2 4.5Å; L230-L281 HydrophobicContact CB-CD1 4.41Å
231N91.5Very high83.9Confident55 Ų5556.5 Ų56.529%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-103.5122.6168.8-55.8-58.6000108V220 Q244 K245V220-N231 PolarHBondContact N-O 3.14Å; V220-N231 PolarHBondContact O-N 3.08Å; V220-N231 VanDerWaalsContact O-O 3.07Å; N231-Q244 CarbonylContact C-O 3.51Å; N231-Q244 WeakPolarHBondContact CA-O 3.12Å; N231-K245 WeakPolarHBondContact OD1-CG 3.39Å
232V90.4Very high83.3Confident1 Ų158.7 Ų58.71%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-111.6123.9177.1-172.30000108.6V217 T218 V219 A243 Q244 L281 L285V217-V232 HydrophobicContact CG1-CG1 3.62Å; T218-V232 WeakPolarHBondContact O-CA 3.4Å; V219-V232 HydrophobicContact CB-CG2 4.36Å; V219-V232 HydrophobicContact CG1-CG2 4.18Å; V219-V232 HydrophobicContact CG2-CG1 3.96Å; V219-V232 HydrophobicContact CG2-CG2 3.89Å; V232-A243 CarbonylContact O-C 3.4Å; V232-A243 VanDerWaalsContact O-CA 3.32Å; V232-A243 WeakPolarHBondContact O-CA 3.3Å; V232-Q244 PolarHBondContact N-O 3.15Å; V232-Q244 PolarHBondContact O-N 3.04Å; V232-L281 HydrophobicContact CG2-CD1 3.54Å; V232-L281 HydrophobicContact CG2-CD2 3.94Å; V232-L281 HydrophobicContact CG2-CG 3.69Å; V232-L285 HydrophobicContact CG1-CD1 3.96Å; V232-L285 HydrophobicContact CG1-CD2 3.8Å
233V89Confident82.8Confident38 Ų3860.7 Ų60.723%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-111.4115.6177.3-176.70000107.9T218 K235 D241 A243T218-V233 PolarHBondContact N-O 2.8Å; T218-V233 PolarHBondContact O-N 3.29Å; V233-K235 HydrophobicContact CG1-CG 4.21Å; V233-D241 HydrophobicContact CG1-CB 3.88Å; V233-A243 HydrophobicContact CG2-CB 4.48Å
234L88.1Confident82.7Confident0 Ų060.6 Ų60.60%035%0.351CS..EExtended strand (participates in β ladder)trans-85115.6167.4-176.480.5000108.5V217 V236 D241 T242 L285 A289V217-L234 HydrophobicContact CG2-CD1 3.45Å; V217-L234 VanDerWaalsContact CG2-CD1 3.45Å; L234-V236 HydrophobicContact CD2-CG2 3.58Å; L234-V236 HydrophobicContact CG-CG2 3.86Å; L234-D241 WeakPolarHBondContact O-CA 3.42Å; L234-T242 WeakPolarHBondContact CB-OG1 3.45Å; L234-T242 PolarHBondContact N-O 3.09Å; L234-T242 PolarHBondContact O-N 3.04Å; L234-T242 VanDerWaalsContact O-N 3.16Å; L234-L285 HydrophobicContact CB-CD1 3.84Å; L234-L285 HydrophobicContact CD1-CD1 4.15Å; L234-L285 HydrophobicContact CG-CD1 4.49Å; L234-A289 HydrophobicContact CD1-CB 3.9Å; L234-A289 VanDerWaalsContact CD2-CA 3.44Å; L234-A289 HydrophobicContact CD2-CB 3.53Å; L234-A289 HydrophobicContact CG-CB 4.37Å
235K85.7Confident82.9Confident100 Ų10062.3 Ų62.344%0.43536%0.355SS..EExtended strand (participates in β ladder)trans-94.4118.8169.9-59.6-164.6167.6-170.90109.1L216 V233L216-K235 HydrophobicContact CB-CB 4.38Å; L216-K235 PolarHBondContact N-O 3.37Å; L216-K235 PolarHBondContact O-N 3.07Å; V233-K235 HydrophobicContact CG1-CG 4.21Å
236V81.9Confident83.2Confident7 Ų759.3 Ų59.34%0.04232%0.324CS..  trans-114.9130.2174.6177.20000106.3L234 E238 T239 A292 M293L234-V236 HydrophobicContact CD2-CG2 3.58Å; L234-V236 HydrophobicContact CG-CG2 3.86Å; V236-E238 PolarHBondContact O-N 3.34Å; V236-T239 VanDerWaalsContact CB-OG1 3.31Å; V236-T239 WeakPolarHBondContact CB-OG1 3.47Å; V236-T239 HydrophobicContact CG1-CG2 4.38Å; V236-T239 WeakPolarHBondContact CG1-OG1 3.22Å; V236-T239 PolarHBondContact O-N 3.12Å; V236-A292 HydrophobicContact CG1-CB 4.47Å; V236-A292 HydrophobicContact CG2-CB 4.12Å; V236-M293 HydrophobicContact CG1-CG 4.43Å; V236-M293 HydrophobicContact CG1-SD 3.49Å; V236-M293 WeakPolarHBondContact CG1-SD 3.49Å
237P70.8Confident83.5Confident92 Ų9259.2 Ų59.260%0.59732%0.318SS*.THydrogen-bonded Turntrans-62.3-15.7-169.122-33.8000115.2N214N214-P237 HydrophobicContact CB-CG 4.18Å; N214-P237 WeakPolarHBondContact O-CD 3.48Å
238E68.3Low83.5Confident177 Ų17757.1 Ų57.183%0.82731%0.307SS*.THydrogen-bonded Turntrans-123.5-3.6-172.7-59.6-175.1168.900114.3V236V236-E238 PolarHBondContact O-N 3.34Å
239T66.5Low83.4Confident60 Ų6063 Ų6337%0.36833%0.332SS..SBendtrans-131.7168.5-176.369.20000112.9V236 D241 A292V236-T239 VanDerWaalsContact CB-OG1 3.31Å; V236-T239 WeakPolarHBondContact CB-OG1 3.47Å; V236-T239 HydrophobicContact CG1-CG2 4.38Å; V236-T239 WeakPolarHBondContact CG1-OG1 3.22Å; V236-T239 PolarHBondContact O-N 3.12Å; T239-D241 PolarHBondContact O-N 2.81Å; T239-A292 HydrophobicContact CG2-CB 4.48Å
240I66.5Low83.2Confident153 Ų15362.6 Ų62.679%0.78533%0.33SS*.PPolyproline II helixtrans-59.3132.9175.8-56.9173000110.1T242I240-T242 PolarHBondContact O-N 3.2Å
241D77.3Confident82.8Confident79 Ų7967.4 Ų67.442%0.42236%0.364SS..PPolyproline II helixtrans-52.6117.4172.8-823.8000110.5V233 L234 T239V233-D241 HydrophobicContact CG1-CB 3.88Å; L234-D241 WeakPolarHBondContact O-CA 3.42Å; T239-D241 PolarHBondContact O-N 2.81Å
242T78.3Confident82.5Confident46 Ų4667.3 Ų67.328%0.28237%0.367SS..EExtended strand (participates in β ladder)trans-88.6124.3174.959.90000110L234 I240L234-T242 WeakPolarHBondContact CB-OG1 3.45Å; L234-T242 PolarHBondContact N-O 3.09Å; L234-T242 PolarHBondContact O-N 3.04Å; L234-T242 VanDerWaalsContact O-N 3.16Å; I240-T242 PolarHBondContact O-N 3.2Å
243A81.9Confident82.1Confident81 Ų8168.6 Ų68.667%0.66937%0.372SS*.EExtended strand (participates in β ladder)trans-110.6123.7-177.800000111.1V232 V233V232-A243 CarbonylContact O-C 3.4Å; V232-A243 VanDerWaalsContact O-CA 3.32Å; V232-A243 WeakPolarHBondContact O-CA 3.3Å; V233-A243 HydrophobicContact CG2-CB 4.48Å
244Q84.4Confident81.9Confident36 Ų3667.4 Ų67.417%0.16837%0.365CS..EExtended strand (participates in β ladder)trans-114145.2174.5-66.8-179.84.500110N231 V232 L281 P284N231-Q244 CarbonylContact C-O 3.51Å; N231-Q244 WeakPolarHBondContact CA-O 3.12Å; V232-Q244 PolarHBondContact N-O 3.15Å; V232-Q244 PolarHBondContact O-N 3.04Å; Q244-L281 PolarHBondContact OE1-O 3.37Å; Q244-P284 PolarHBondContact NE2-O 3.27Å; Q244-P284 VanDerWaalsContact NE2-O 3.1Å
245K90Very high81.5Confident154 Ų15468 Ų6867%0.6737%0.369SS*.EExtended strand (participates in β ladder)trans-132123-173.7-179.9174-179.7177.50111V229 L230 N231V229-K245 HydrophobicContact CG1-CD 4.35Å; V229-K245 HydrophobicContact CG1-CG 4.2Å; L230-K245 CarbonylContact O-C 3.58Å; L230-K245 WeakPolarHBondContact O-CA 3.26Å; N231-K245 WeakPolarHBondContact OD1-CG 3.39Å
246L90.8Very high80.6Confident2 Ų272.4 Ų72.41%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-117.2136175.8175.462.2000109.8L230 L248 I276 F277 Q280 L281L230-L246 HydrophobicContact CB-CB 4.23Å; L230-L246 HydrophobicContact CD1-CD2 4.31Å; L230-L246 PolarHBondContact N-O 2.81Å; L230-L246 PolarHBondContact O-N 3.16Å; L246-L248 HydrophobicContact CD1-CD2 4.11Å; L246-L248 HydrophobicContact CD2-CD1 4.28Å; L246-L248 HydrophobicContact CD2-CD2 4.18Å; L246-L248 HydrophobicContact CD2-CG 4.24Å; L246-L248 HydrophobicContact CG-CD2 4.07Å; L246-L248 HydrophobicContact CG-CG 4.08Å; L246-I276 HydrophobicContact CD1-CG2 3.93Å; L246-F277 HydrophobicContact CD2-CB 4.43Å; L246-F277 HydrophobicContact CD2-CD2 3.73Å; L246-F277 HydrophobicContact CD2-CE2 4.43Å; L246-F277 HydrophobicContact CD2-CG 4.39Å; L246-Q280 HydrophobicContact CD1-CB 4.25Å; L246-Q280 VanDerWaalsContact CD1-OE1 3.25Å; L246-L281 HydrophobicContact CB-CD1 4.22Å; L246-L281 HydrophobicContact CD2-CB 4.33Å; L246-L281 HydrophobicContact CD2-CD1 3.99Å
247L90.3Very high79.7Confident99 Ų9977.2 Ų77.252%0.51842%0.416SS..EExtended strand (participates in β ladder)trans-113.1118.1178.4-176.371.9000109.7L227 V229L227-L247 HydrophobicContact CB-CD1 3.98Å; L227-L247 HydrophobicContact CD1-CD1 4.21Å; L227-L247 HydrophobicContact CD2-CD1 4.5Å; L227-L247 HydrophobicContact CG-CD1 4.46Å; V229-L247 HydrophobicContact CG2-CD1 3.72Å
248L89.1Confident79.1Confident4 Ų475.2 Ų75.22%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-116.5152.6179-61.6-179.3000111.8I167 L227 L228 L230 L246 Y253 L273 I276I167-L248 HydrophobicContact CG2-CD1 3.7Å; L227-L248 WeakPolarHBondContact CA-O 3.28Å; L228-L248 PolarHBondContact N-O 3.41Å; L228-L248 PolarHBondContact O-N 3.16Å; L230-L248 HydrophobicContact CD1-CD1 3.49Å; L230-L248 VanDerWaalsContact CD1-CD1 3.49Å; L230-L248 HydrophobicContact CD1-CG 4.07Å; L246-L248 HydrophobicContact CD1-CD2 4.11Å; L246-L248 HydrophobicContact CD2-CD1 4.28Å; L246-L248 HydrophobicContact CD2-CD2 4.18Å; L246-L248 HydrophobicContact CD2-CG 4.24Å; L246-L248 HydrophobicContact CG-CD2 4.07Å; L246-L248 HydrophobicContact CG-CG 4.08Å; L248-Y253 HydrophobicContact CD2-CE2 4.21Å; L248-L273 HydrophobicContact CD1-CD1 3.84Å; L248-L273 HydrophobicContact CD2-CD1 4.13Å; L248-I276 HydrophobicContact CD2-CG2 4.32Å
249K88.4Confident78.6Confident123 Ų12371.7 Ų71.754%0.53539%0.389SS..  trans-108.8114.5170.1-81.1173.4177.7-178.60108.3L227 S251 S252 Y253L227-K249 HydrophobicContact CD2-CD 4.24Å; L227-K249 HydrophobicContact CD2-CG 3.48Å; L227-K249 VanDerWaalsContact CD2-CG 3.48Å; K249-S251 VanDerWaalsContact C-N 3.3Å; K249-S251 PolarHBondContact O-N 2.94Å; K249-S252 PolarHBondContact O-N 3.07Å; K249-S252 PolarHBondContact O-OG 3.24Å; K249-Y253 VanDerWaalsContact O-CD2 3.26Å; K249-Y253 WeakPolarHBondContact O-CD2 3.48Å
250P86.6Confident78.4Confident8 Ų869.6 Ų69.65%0.05238%0.38CS..G310 helixtrans-55.3-45.4176.8-24.332.7000112.9P163 N164 I167 P226 S252 Y253 V254P163-P250 HydrophobicContact CB-CB 3.95Å; P163-P250 HydrophobicContact CG-CB 4.37Å; N164-P250 WeakPolarHBondContact OD1-CG 3.26Å; I167-P250 VanDerWaalsContact CD1-CA 3.41Å; I167-P250 HydrophobicContact CD1-CB 3.69Å; I167-P250 HydrophobicContact CD1-CG 3.73Å; P226-P250 WeakPolarHBondContact O-CD 3.43Å; P250-S252 PolarHBondContact O-N 2.82Å; P250-Y253 PolarHBondContact O-N 3.03Å; P250-V254 VanDerWaalsContact O-CB 3.28Å; P250-V254 WeakPolarHBondContact O-CB 3.41Å; P250-V254 WeakPolarHBondContact O-CG2 3.37Å; P250-V254 PolarHBondContact O-N 3.42Å
251S83.3Confident78.5Confident101 Ų10170.4 Ų70.471%0.70638%0.38SS*.G310 helixtrans-61.5-9.6-177.955.80000116.2K249K249-S251 VanDerWaalsContact C-N 3.3Å; K249-S251 PolarHBondContact O-N 2.94Å
252S85.1Confident78.5Confident53 Ų5370.5 Ų70.537%0.37138%0.381SS..G310 helixtrans-94.8-13.6173.3520000114.7K249 P250K249-S252 PolarHBondContact O-N 3.07Å; K249-S252 PolarHBondContact O-OG 3.24Å; P250-S252 PolarHBondContact O-N 2.82Å
253Y82.9Confident78.6Confident27 Ų2768.3 Ų68.311%0.10637%0.367CS..THydrogen-bonded Turntrans-124.3-11.8-174.9-54.5-66000113.9L248 K249 P250 K268 N269 K272 L273 I276L248-Y253 HydrophobicContact CD2-CE2 4.21Å; K249-Y253 VanDerWaalsContact O-CD2 3.26Å; K249-Y253 WeakPolarHBondContact O-CD2 3.48Å; P250-Y253 PolarHBondContact O-N 3.03Å; Y253-K268 WeakPolarHBondContact CA-O 3.28Å; Y253-K268 PolarHBondContact O-N 3.1Å; Y253-N269 HydrophobicContact CD1-CB 4.38Å; Y253-K272 HydrophobicContact CE1-CB 4.47Å; Y253-L273 HydrophobicContact CD1-CB 3.71Å; Y253-L273 HydrophobicContact CD1-CD1 4.44Å; Y253-L273 HydrophobicContact CD1-CD2 4.46Å; Y253-L273 HydrophobicContact CD1-CG 4.42Å; Y253-L273 HydrophobicContact CD2-CD1 4.07Å; Y253-L273 HydrophobicContact CE1-CB 3.84Å; Y253-L273 HydrophobicContact CE1-CD1 4.42Å; Y253-L273 HydrophobicContact CE2-CD1 4.05Å; Y253-L273 HydrophobicContact CG-CB 4.21Å; Y253-L273 HydrophobicContact CG-CD1 4.25Å; Y253-L273 HydrophobicContact CG-CD2 4.15Å; Y253-L273 HydrophobicContact CG-CG 4.45Å; Y253-I276 WeakPolarHBondContact OH-CD1 3.49Å
254V83.8Confident78.5Confident13 Ų1365.1 Ų65.18%0.07934%0.341CS..BIsolated β-bridgetrans-119.3126.1-1751790000106.5P163 A166 I167 P250 W258P163-V254 HydrophobicContact CB-CB 4.39Å; P163-V254 HydrophobicContact CB-CG1 3.72Å; A166-V254 HydrophobicContact CB-CG2 4.2Å; I167-V254 HydrophobicContact CG1-CG2 4.07Å; P250-V254 VanDerWaalsContact O-CB 3.28Å; P250-V254 WeakPolarHBondContact O-CB 3.41Å; P250-V254 WeakPolarHBondContact O-CG2 3.37Å; P250-V254 PolarHBondContact O-N 3.42Å; V254-W258 HydrophobicContact CB-CZ2 4.32Å; V254-W258 HydrophobicContact CG1-CD2 3.68Å; V254-W258 HydrophobicContact CG1-CE3 4.44Å; V254-W258 HydrophobicContact CG1-CG 3.91Å; V254-W258 HydrophobicContact CG1-CZ2 3.7Å; V254-W258 VanDerWaalsContact CG1-NE1 3.26Å; V254-W258 HydrophobicContact CG2-CZ2 4.37Å
255T78.9Confident78.4Confident13 Ų1367.3 Ų67.38%0.0836%0.357CS..  trans-62.7176.9173.260.10000112.8D257 W258 T265 A266 K268T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 WeakPolarHBondContact CB-OD2 3.35Å; T255-D257 PolarHBondContact OG1-N 3.5Å; T255-W258 VanDerWaalsContact C-CD1 3.48Å; T255-W258 PolarHBondContact OG1-NE1 2.95Å; T255-T265 VanDerWaalsContact CG2-O 3.22Å; T255-T265 WeakPolarHBondContact CG2-O 3.4Å; T255-T265 PolarHBondContact OG1-O 2.89Å; T255-A266 WeakPolarHBondContact CG2-O 3.46Å; T255-A266 PolarHBondContact N-O 2.87Å; T255-A266 PolarHBondContact OG1-O 2.87Å; T255-A266 VanDerWaalsContact OG1-O 3.09Å; T255-K268 HydrophobicContact CG2-CD 3.55Å; T255-K268 HydrophobicContact CG2-CG 3.63Å
256Q66.8Low78Confident193 Ų19360 Ų6090%0.90233%0.325SS*.SBendtrans-88.6-11.7165.1-69.8-177.4-9.300111.5W258Q256-W258 PolarHBondContact O-N 2.91Å
257D63.1Low77.7Confident107 Ų10760.6 Ų60.657%0.57233%0.328SS*.SBendtrans-81.238.7-176.4-43.2-71.6000111.5T255 G260T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 WeakPolarHBondContact CB-OD2 3.35Å; T255-D257 PolarHBondContact OG1-N 3.5Å; D257-G260 WeakPolarHBondContact O-CA 3.45Å; D257-G260 PolarHBondContact O-N 3.46Å
258W59.3Low77.5Confident50 Ų5060.5 Ų60.519%0.18932%0.324CS..  trans-103143.1-179.2-73.764.5000111.4Y155 A166 V254 T255 Q256 A266 F267Y155-W258 HydrophobicContact CD2-CZ3 4.17Å; Y155-W258 HydrophobicContact CE2-CE3 4.03Å; Y155-W258 AromaticContact CE2-CH2 3.97Å; Y155-W258 HydrophobicContact CE2-CH2 3.97Å; Y155-W258 AromaticContact CE2-CZ3 3.29Å; Y155-W258 HydrophobicContact CE2-CZ3 3.29Å; Y155-W258 AromaticContact CZ-CZ3 3.77Å; A166-W258 HydrophobicContact CB-CE3 4.01Å; A166-W258 HydrophobicContact CB-CH2 3.27Å; A166-W258 HydrophobicContact CB-CZ2 4.05Å; A166-W258 HydrophobicContact CB-CZ3 3.19Å; V254-W258 HydrophobicContact CB-CZ2 4.32Å; V254-W258 HydrophobicContact CG1-CD2 3.68Å; V254-W258 HydrophobicContact CG1-CE3 4.44Å; V254-W258 HydrophobicContact CG1-CG 3.91Å; V254-W258 HydrophobicContact CG1-CZ2 3.7Å; V254-W258 VanDerWaalsContact CG1-NE1 3.26Å; V254-W258 HydrophobicContact CG2-CZ2 4.37Å; T255-W258 VanDerWaalsContact C-CD1 3.48Å; T255-W258 PolarHBondContact OG1-NE1 2.95Å; Q256-W258 PolarHBondContact O-N 2.91Å; W258-A266 HydrophobicContact CD2-CB 3.99Å; W258-A266 VanDerWaalsContact CE2-C 3.48Å; W258-A266 HydrophobicContact CE3-CB 4.29Å; W258-A266 HydrophobicContact CH2-CB 3.46Å; W258-A266 VanDerWaalsContact CH2-CB 3.46Å; W258-A266 HydrophobicContact CZ2-CB 3.15Å; W258-A266 WeakPolarHBondContact CZ2-O 3.28Å; W258-A266 HydrophobicContact CZ3-CB 4.05Å; W258-A266 PolarHBondContact NE1-O 3.39Å; W258-F267 HydrophobicContact CH2-CD1 4.07Å; W258-F267 HydrophobicContact CH2-CD2 4.14Å; W258-F267 AromaticContact CH2-CE1 3.62Å; W258-F267 HydrophobicContact CH2-CE1 3.62Å; W258-F267 AromaticContact CH2-CE2 3.7Å; W258-F267 HydrophobicContact CH2-CE2 3.7Å; W258-F267 HydrophobicContact CH2-CG 4.33Å; W258-F267 AromaticContact CH2-CZ 3.44Å; W258-F267 HydrophobicContact CH2-CZ 3.44Å; W258-F267 VanDerWaalsContact CH2-CZ 3.44Å; W258-F267 AromaticContact CZ2-CD1 3.94Å; W258-F267 HydrophobicContact CZ2-CD1 3.94Å; W258-F267 HydrophobicContact CZ2-CD2 4.33Å; W258-F267 AromaticContact CZ2-CE1 3.93Å; W258-F267 HydrophobicContact CZ2-CE1 3.93Å; W258-F267 HydrophobicContact CZ2-CE2 4.32Å; W258-F267 HydrophobicContact CZ2-CG 4.17Å; W258-F267 HydrophobicContact CZ2-CZ 4.15Å; W258-F267 HydrophobicContact CZ3-CZ 4.43Å
259P58Low77.3Confident103 Ų10362.4 Ų62.467%0.66933%0.334SS*.SBendcis-85103.7-532.4-30.7000110.7
260G61.8Low77.3Confident17 Ų1757 Ų5718%0.17531%0.311CS..  trans-65.9150.8170.900000110.5Y155 D257 N262Y155-G260 WeakPolarHBondContact CE1-O 3.42Å; Y155-G260 PolarHBondContact OH-O 3.1Å; D257-G260 WeakPolarHBondContact O-CA 3.45Å; D257-G260 PolarHBondContact O-N 3.46Å; G260-N262 VanDerWaalsContact C-N 3.31Å; G260-N262 PolarHBondContact O-N 3.21Å
261E68.4Low77.5Confident169 Ų16960.3 Ų60.379%0.7932%0.324SS*.SBendtrans-60.7-40.6-179-66.6-179157.300111.7H156H156-E261 PolarHBondContact CE1-O 3Å
262N78.6Confident77.8Confident81 Ų8161.3 Ų61.343%0.43332%0.316SS..SBendtrans-105.7142.9-179.2-63.28.1000111.3G260 A264 T265 A266G260-N262 VanDerWaalsContact C-N 3.31Å; G260-N262 PolarHBondContact O-N 3.21Å; N262-A264 PolarHBondContact O-N 2.95Å; N262-T265 PolarHBondContact O-N 2.99Å; N262-T265 PolarHBondContact O-OG1 2.98Å; N262-T265 VanDerWaalsContact O-OG1 3.05Å; N262-A266 PolarHBondContact O-N 3.41Å
263A79.6Confident78.1Confident0 Ų058.9 Ų58.90%030%0.299CS..Hα-helixtrans-67-26.1178.100000112.7A147 L151 E152 Y155 T265 A266 F267A147-A263 HydrophobicContact CB-CB 4.31Å; L151-A263 HydrophobicContact CD2-CB 3.29Å; E152-A263 HydrophobicContact CG-CB 4.07Å; Y155-A263 HydrophobicContact CD1-CB 3.57Å; Y155-A263 HydrophobicContact CE1-CB 4.35Å; Y155-A263 HydrophobicContact CG-CB 3.84Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3Å; A263-A266 WeakPolarHBondContact O-CB 3.34Å; A263-A266 PolarHBondContact O-N 2.79Å; A263-A266 VanDerWaalsContact O-N 3.13Å; A263-F267 HydrophobicContact CB-CD2 4.13Å; A263-F267 HydrophobicContact CB-CE2 4.17Å; A263-F267 WeakPolarHBondContact O-CD2 3.42Å; A263-F267 PolarHBondContact O-N 3.35Å
264A79.5Confident78.6Confident15 Ų1557.6 Ų57.612%0.12429%0.294CS..Hα-helixtrans-59.2-33.1176.300000114.6A147 N262A147-A264 HydrophobicContact CB-CB 3.91Å; N262-A264 PolarHBondContact O-N 2.95Å
265T81.4Confident78.9Confident82 Ų8264 Ų6450%0.50332%0.316SS..Hα-helixtrans-89-20.3174.858.40000112.5T255 N262 A263T255-T265 VanDerWaalsContact CG2-O 3.22Å; T255-T265 WeakPolarHBondContact CG2-O 3.4Å; T255-T265 PolarHBondContact OG1-O 2.89Å; N262-T265 PolarHBondContact O-N 2.99Å; N262-T265 PolarHBondContact O-OG1 2.98Å; N262-T265 VanDerWaalsContact O-OG1 3.05Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3Å
266A82.1Confident79.6Confident0 Ų065.9 Ų65.90%033%0.325CS..Hα-helixtrans-75.8-51.4-179.300000110.6Y155 T255 W258 N262 A263Y155-A266 HydrophobicContact CE1-CB 4.44Å; T255-A266 WeakPolarHBondContact CG2-O 3.46Å; T255-A266 PolarHBondContact N-O 2.87Å; T255-A266 PolarHBondContact OG1-O 2.87Å; T255-A266 VanDerWaalsContact OG1-O 3.09Å; W258-A266 HydrophobicContact CD2-CB 3.99Å; W258-A266 VanDerWaalsContact CE2-C 3.48Å; W258-A266 HydrophobicContact CE3-CB 4.29Å; W258-A266 HydrophobicContact CH2-CB 3.46Å; W258-A266 VanDerWaalsContact CH2-CB 3.46Å; W258-A266 HydrophobicContact CZ2-CB 3.15Å; W258-A266 WeakPolarHBondContact CZ2-O 3.28Å; W258-A266 HydrophobicContact CZ3-CB 4.05Å; W258-A266 PolarHBondContact NE1-O 3.39Å; N262-A266 PolarHBondContact O-N 3.41Å; A263-A266 WeakPolarHBondContact O-CB 3.34Å; A263-A266 PolarHBondContact O-N 2.79Å; A263-A266 VanDerWaalsContact O-N 3.13Å
267F84.1Confident80.8Confident14 Ų1456.8 Ų56.86%0.06128%0.283CS..BIsolated β-bridgetrans-86.8145.5-176.4-66.2-74.9000113.6L151 A166 V170 W258 A263L151-F267 HydrophobicContact CD2-CD2 3.72Å; L151-F267 HydrophobicContact CD2-CE2 3.67Å; L151-F267 HydrophobicContact CG-CE2 4.39Å; A166-F267 HydrophobicContact CB-CE1 3.99Å; A166-F267 HydrophobicContact CB-CZ 4.1Å; A166-F267 WeakPolarHBondContact O-CZ 3.47Å; V170-F267 HydrophobicContact CB-CE1 4.46Å; V170-F267 HydrophobicContact CG2-CD1 3.88Å; V170-F267 HydrophobicContact CG2-CD2 4.4Å; V170-F267 HydrophobicContact CG2-CE1 3.24Å; V170-F267 HydrophobicContact CG2-CE2 3.86Å; V170-F267 HydrophobicContact CG2-CG 4.4Å; V170-F267 HydrophobicContact CG2-CZ 3.21Å; W258-F267 HydrophobicContact CH2-CD1 4.07Å; W258-F267 HydrophobicContact CH2-CD2 4.14Å; W258-F267 AromaticContact CH2-CE1 3.62Å; W258-F267 HydrophobicContact CH2-CE1 3.62Å; W258-F267 AromaticContact CH2-CE2 3.7Å; W258-F267 HydrophobicContact CH2-CE2 3.7Å; W258-F267 HydrophobicContact CH2-CG 4.33Å; W258-F267 AromaticContact CH2-CZ 3.44Å; W258-F267 HydrophobicContact CH2-CZ 3.44Å; W258-F267 VanDerWaalsContact CH2-CZ 3.44Å; W258-F267 AromaticContact CZ2-CD1 3.94Å; W258-F267 HydrophobicContact CZ2-CD1 3.94Å; W258-F267 HydrophobicContact CZ2-CD2 4.33Å; W258-F267 AromaticContact CZ2-CE1 3.93Å; W258-F267 HydrophobicContact CZ2-CE1 3.93Å; W258-F267 HydrophobicContact CZ2-CE2 4.32Å; W258-F267 HydrophobicContact CZ2-CG 4.17Å; W258-F267 HydrophobicContact CZ2-CZ 4.15Å; W258-F267 HydrophobicContact CZ3-CZ 4.43Å; A263-F267 HydrophobicContact CB-CD2 4.13Å; A263-F267 HydrophobicContact CB-CE2 4.17Å; A263-F267 WeakPolarHBondContact O-CD2 3.42Å; A263-F267 PolarHBondContact O-N 3.35Å
268K86.4Confident82.2Confident98 Ų9852.5 Ų52.543%0.42626%0.259SS..  trans-126.4147.3171-85.1179-178.1141.70110.3Y253 T255 L270Y253-K268 WeakPolarHBondContact CA-O 3.28Å; Y253-K268 PolarHBondContact O-N 3.1Å; T255-K268 HydrophobicContact CG2-CD 3.55Å; T255-K268 HydrophobicContact CG2-CG 3.63Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 3.12Å
269N86.2Confident83.7Confident44 Ų4454.9 Ų54.924%0.23528%0.275CS..  trans55.534.5176.5-61.7-88.7000114.2D144 Y253 K271 K272 L273D144-N269 PolarHBondContact OD1-N 3.23Å; Y253-N269 HydrophobicContact CD1-CB 4.38Å; N269-K271 PolarHBondContact O-N 2.95Å; N269-K271 VanDerWaalsContact O-N 3.14Å; N269-K272 HydrophobicContact CB-CB 4.26Å; N269-K272 HydrophobicContact CB-CD 4.05Å; N269-K272 HydrophobicContact CB-CG 4.3Å; N269-K272 WeakPolarHBondContact O-CA 3.42Å; N269-K272 WeakPolarHBondContact O-CB 3.29Å; N269-K272 PolarHBondContact O-N 2.9Å; N269-K272 WeakPolarHBondContact OD1-CE 3.41Å; N269-K272 PolarHBondContact OD1-NZ 2.91Å; N269-L273 PolarHBondContact O-N 2.66Å
270L88.1Confident85.2Confident10 Ų1055.3 Ų55.35%0.05227%0.269CS..Hα-helixtrans-54.4-38-175.8-172.858.6000112.1C139 A142 L151 V170 K268 K272 L273 S274C139-L270 HydrophobicContact CB-CD1 4.27Å; C139-L270 HydrophobicContact CB-CD2 4.09Å; C139-L270 HydrophobicContact CB-CG 3.95Å; C139-L270 CarbonylContact O-C 3.49Å; A142-L270 HydrophobicContact CB-CB 4.49Å; A142-L270 HydrophobicContact CB-CD2 3.88Å; L151-L270 HydrophobicContact CD1-CD1 4.25Å; L151-L270 HydrophobicContact CD1-CD2 3.79Å; V170-L270 HydrophobicContact CG1-CD1 3.63Å; V170-L270 HydrophobicContact CG2-CD1 4.33Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 3.12Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 2.72Å; L270-L273 HydrophobicContact CD1-CD2 4.47Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-S274 WeakPolarHBondContact O-CB 3.38Å; L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 PolarHBondContact O-OG 3.46Å
271K90Very high86.6Confident77 Ų7754.7 Ų54.734%0.33526%0.261SS..Hα-helixtrans-57.4-28.8171.4-172.6165.1-155.7154.10116C139 S140 N269 S274 R275C139-K271 PolarHBondContact O-N 3.41Å; S140-K271 VanDerWaalsContact O-CE 3.29Å; S140-K271 WeakPolarHBondContact O-CE 3.25Å; S140-K271 WeakPolarHBondContact O-CG 3.19Å; N269-K271 PolarHBondContact O-N 2.95Å; N269-K271 VanDerWaalsContact O-N 3.14Å; K271-S274 WeakPolarHBondContact CA-OG 3.33Å; K271-S274 PolarHBondContact O-OG 3.13Å; K271-R275 WeakPolarHBondContact O-CD 3.45Å; K271-R275 VanDerWaalsContact O-CG 3.28Å; K271-R275 WeakPolarHBondContact O-CG 3.38Å
272K90.9Very high87.6Confident122 Ų12246.6 Ų46.653%0.5322%0.223SC..Hα-helixtrans-83.8-41.5174.7-62.9179.5-172.3152.50110.5Y253 N269 L270 R275 I276Y253-K272 HydrophobicContact CE1-CB 4.47Å; N269-K272 HydrophobicContact CB-CB 4.26Å; N269-K272 HydrophobicContact CB-CD 4.05Å; N269-K272 HydrophobicContact CB-CG 4.3Å; N269-K272 WeakPolarHBondContact O-CA 3.42Å; N269-K272 WeakPolarHBondContact O-CB 3.29Å; N269-K272 PolarHBondContact O-N 2.9Å; N269-K272 WeakPolarHBondContact OD1-CE 3.41Å; N269-K272 PolarHBondContact OD1-NZ 2.91Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 2.72Å; K272-R275 PolarHBondContact O-N 3.15Å; K272-I276 WeakPolarHBondContact O-CG1 3.19Å; K272-I276 PolarHBondContact O-N 3.27Å
273L90.8Very high88.2Confident2 Ų247.2 Ų47.21%0.0122%0.22CC..Hα-helixtrans-61-48.8176.2179.557.1000111.4V170 L248 Y253 N269 L270 R275 I276 F277V170-L273 HydrophobicContact CB-CD2 4.38Å; V170-L273 HydrophobicContact CG1-CD2 3.81Å; V170-L273 HydrophobicContact CG1-CG 4.47Å; L248-L273 HydrophobicContact CD1-CD1 3.84Å; L248-L273 HydrophobicContact CD2-CD1 4.13Å; Y253-L273 HydrophobicContact CD1-CB 3.71Å; Y253-L273 HydrophobicContact CD1-CD1 4.44Å; Y253-L273 HydrophobicContact CD1-CD2 4.46Å; Y253-L273 HydrophobicContact CD1-CG 4.42Å; Y253-L273 HydrophobicContact CD2-CD1 4.07Å; Y253-L273 HydrophobicContact CE1-CB 3.84Å; Y253-L273 HydrophobicContact CE1-CD1 4.42Å; Y253-L273 HydrophobicContact CE2-CD1 4.05Å; Y253-L273 HydrophobicContact CG-CB 4.21Å; Y253-L273 HydrophobicContact CG-CD1 4.25Å; Y253-L273 HydrophobicContact CG-CD2 4.15Å; Y253-L273 HydrophobicContact CG-CG 4.45Å; N269-L273 PolarHBondContact O-N 2.66Å; L270-L273 HydrophobicContact CD1-CD2 4.47Å; L270-L273 PolarHBondContact O-N 3.37Å; L273-R275 PolarHBondContact O-N 2.8Å; L273-I276 PolarHBondContact O-N 3.37Å; L273-F277 VanDerWaalsContact O-CB 3.25Å; L273-F277 WeakPolarHBondContact O-CB 3.38Å; L273-F277 PolarHBondContact O-N 3.05Å
274S92.1Very high88.7Confident0 Ų049.3 Ų49.30%023%0.234CC..Hα-helixtrans-60.2-41.8178.957.30000112.5C139 S140 L174 L270 K271 K278C139-S274 WeakPolarHBondContact O-CB 3.43Å; C139-S274 PolarHBondContact O-OG 3.09Å; S140-S274 WeakPolarHBondContact CA-OG 3.12Å; L174-S274 VanDerWaalsContact CD2-CB 3.5Å; L270-S274 WeakPolarHBondContact O-CB 3.38Å; L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 PolarHBondContact O-OG 3.46Å; K271-S274 WeakPolarHBondContact CA-OG 3.33Å; K271-S274 PolarHBondContact O-OG 3.13Å; S274-K278 VanDerWaalsContact O-CB 3.25Å; S274-K278 WeakPolarHBondContact O-CB 3.36Å; S274-K278 WeakPolarHBondContact O-CG 3.15Å; S274-K278 PolarHBondContact O-N 3.17Å
275R91.9Very high89.1Confident147 Ų14748.7 Ų48.756%0.55523%0.228SC*.Hα-helixtrans-61.9-55.9172.7-72.9174.4-178.1-166.5-2.2112.1K271 K272 L273 F277 K278 D279K271-R275 WeakPolarHBondContact O-CD 3.45Å; K271-R275 VanDerWaalsContact O-CG 3.28Å; K271-R275 WeakPolarHBondContact O-CG 3.38Å; K272-R275 PolarHBondContact O-N 3.15Å; L273-R275 PolarHBondContact O-N 2.8Å; R275-F277 VanDerWaalsContact C-N 3.27Å; R275-F277 PolarHBondContact O-N 3.33Å; R275-K278 PolarHBondContact O-N 3.16Å; R275-D279 WeakPolarHBondContact O-CB 3.24Å; R275-D279 PolarHBondContact O-N 3.07Å
276I92.1Very high89.4Confident53 Ų5344.8 Ų44.827%0.27221%0.205SC..Hα-helixtrans-57.2-42.7-178-70.6164.8000111.2L246 L248 Y253 K272 L273 Q280L246-I276 HydrophobicContact CD1-CG2 3.93Å; L248-I276 HydrophobicContact CD2-CG2 4.32Å; Y253-I276 WeakPolarHBondContact OH-CD1 3.49Å; K272-I276 WeakPolarHBondContact O-CG1 3.19Å; K272-I276 PolarHBondContact O-N 3.27Å; L273-I276 PolarHBondContact O-N 3.37Å; I276-Q280 VanDerWaalsContact O-CB 3.24Å; I276-Q280 WeakPolarHBondContact O-CB 3.32Å; I276-Q280 WeakPolarHBondContact O-CG 3.26Å; I276-Q280 PolarHBondContact O-N 2.87Å; I276-Q280 VanDerWaalsContact O-N 3.07Å
277F92.6Very high89.8Confident2 Ų247 Ų471%0.00922%0.223CC..Hα-helixtrans-68.3-48178.2-171.4-85.1000112.3A171 L174 M175 L230 L246 L273 R275 L281 A282A171-F277 HydrophobicContact CB-CD2 4.38Å; A171-F277 HydrophobicContact CB-CE2 3.57Å; A171-F277 HydrophobicContact CB-CZ 3.9Å; L174-F277 HydrophobicContact CB-CD1 3.61Å; L174-F277 HydrophobicContact CB-CE1 3.72Å; L174-F277 HydrophobicContact CB-CG 4.37Å; L174-F277 HydrophobicContact CD1-CB 3.81Å; L174-F277 HydrophobicContact CD1-CD1 3.87Å; L174-F277 HydrophobicContact CD1-CD2 4.42Å; L174-F277 HydrophobicContact CD1-CG 3.78Å; L174-F277 HydrophobicContact CG-CD1 4.37Å; M175-F277 HydrophobicContact CG-CE1 4Å; M175-F277 HydrophobicContact CG-CZ 3.96Å; M175-F277 HydrophobicContact SD-CE1 3.86Å; M175-F277 HydrophobicContact SD-CZ 4.03Å; L230-F277 HydrophobicContact CD2-CE2 4.5Å; L246-F277 HydrophobicContact CD2-CB 4.43Å; L246-F277 HydrophobicContact CD2-CD2 3.73Å; L246-F277 HydrophobicContact CD2-CE2 4.43Å; L246-F277 HydrophobicContact CD2-CG 4.39Å; L273-F277 VanDerWaalsContact O-CB 3.25Å; L273-F277 WeakPolarHBondContact O-CB 3.38Å; L273-F277 PolarHBondContact O-N 3.05Å; R275-F277 VanDerWaalsContact C-N 3.27Å; R275-F277 PolarHBondContact O-N 3.33Å; F277-L281 HydrophobicContact CD2-CD1 4.19Å; F277-L281 HydrophobicContact CE1-CD2 4.08Å; F277-L281 HydrophobicContact CE2-CD1 3.69Å; F277-L281 HydrophobicContact CZ-CD1 3.94Å; F277-L281 HydrophobicContact CZ-CD2 3.95Å; F277-L281 WeakPolarHBondContact O-CA 3.37Å; F277-L281 VanDerWaalsContact O-CB 3.28Å; F277-L281 WeakPolarHBondContact O-CB 3.18Å; F277-L281 PolarHBondContact O-N 3.28Å; F277-A282 PolarHBondContact O-N 2.81Å; F277-A282 VanDerWaalsContact O-N 3.12Å
278K92Very high89.9Confident17 Ų1747.3 Ų47.37%0.07423%0.228CC..Iπ-helixtrans-66.7-42.4-179.9-68.7-178-175.1-174.70111.7E177 T178 S274 R275 A282 Y283E177-K278 VanDerWaalsContact OE2-CE 3.29Å; E177-K278 WeakPolarHBondContact OE2-CE 3.35Å; E177-K278 IonicContact OE2-NZ 3.14Å; E177-K278 PolarHBondContact OE2-NZ 3.17Å; T178-K278 HydrophobicContact CG2-CD 3.85Å; T178-K278 HydrophobicContact CG2-CG 3.81Å; S274-K278 VanDerWaalsContact O-CB 3.25Å; S274-K278 WeakPolarHBondContact O-CB 3.36Å; S274-K278 WeakPolarHBondContact O-CG 3.15Å; S274-K278 PolarHBondContact O-N 3.17Å; R275-K278 PolarHBondContact O-N 3.16Å; K278-A282 PolarHBondContact O-N 3.26Å; K278-Y283 HydrophobicContact CB-CD2 4.11Å; K278-Y283 HydrophobicContact CB-CE2 3.68Å; K278-Y283 WeakPolarHBondContact O-CD2 3.2Å; K278-Y283 PolarHBondContact O-N 2.89Å
279D91.8Very high89.9Confident99 Ų9942.7 Ų42.753%0.52921%0.208SC..Iπ-helixtrans-72.6-35.5-176.9-63.9-19.9000113.6R275 P284R275-D279 WeakPolarHBondContact O-CB 3.24Å; R275-D279 PolarHBondContact O-N 3.07Å; D279-P284 WeakPolarHBondContact O-CD 3.39Å; D279-P284 WeakPolarHBondContact O-CG 3.25Å
280Q89.7Confident89.9Confident113 Ų11342.6 Ų42.653%0.52821%0.205SC..Iπ-helixtrans-99.8-19.6-175.6-59.8-175.611.100114.4L246 I276L246-Q280 HydrophobicContact CD1-CB 4.25Å; L246-Q280 VanDerWaalsContact CD1-OE1 3.25Å; I276-Q280 VanDerWaalsContact O-CB 3.24Å; I276-Q280 WeakPolarHBondContact O-CB 3.32Å; I276-Q280 WeakPolarHBondContact O-CG 3.26Å; I276-Q280 PolarHBondContact O-N 2.87Å; I276-Q280 VanDerWaalsContact O-N 3.07Å
281L89.5Confident89.8Confident3 Ų349.8 Ų49.82%0.01624%0.238CC..Iπ-helixtrans-124.9-63.3-175.1-174.2167.9000110.7M175 L230 V232 Q244 L246 F277 L285M175-L281 HydrophobicContact SD-CD2 3.84Å; L230-L281 HydrophobicContact CB-CD1 4.41Å; V232-L281 HydrophobicContact CG2-CD1 3.54Å; V232-L281 HydrophobicContact CG2-CD2 3.94Å; V232-L281 HydrophobicContact CG2-CG 3.69Å; Q244-L281 PolarHBondContact OE1-O 3.37Å; L246-L281 HydrophobicContact CB-CD1 4.22Å; L246-L281 HydrophobicContact CD2-CB 4.33Å; L246-L281 HydrophobicContact CD2-CD1 3.99Å; F277-L281 HydrophobicContact CD2-CD1 4.19Å; F277-L281 HydrophobicContact CE1-CD2 4.08Å; F277-L281 HydrophobicContact CE2-CD1 3.69Å; F277-L281 HydrophobicContact CZ-CD1 3.94Å; F277-L281 HydrophobicContact CZ-CD2 3.95Å; F277-L281 WeakPolarHBondContact O-CA 3.37Å; F277-L281 VanDerWaalsContact O-CB 3.28Å; F277-L281 WeakPolarHBondContact O-CB 3.18Å; F277-L281 PolarHBondContact O-N 3.28Å; L281-L285 HydrophobicContact CD2-CD2 4.37Å; L281-L285 WeakPolarHBondContact O-CB 3.43Å; L281-L285 PolarHBondContact O-N 3.33Å
282A90.1Very high89.6Confident0 Ų047.6 Ų47.60%023%0.234CC..Iπ-helixtrans-66.4-51.3-169.200000114.1T178 F277 K278 L285 I286T178-A282 HydrophobicContact CG2-CB 3.85Å; F277-A282 PolarHBondContact O-N 2.81Å; F277-A282 VanDerWaalsContact O-N 3.12Å; K278-A282 PolarHBondContact O-N 3.26Å; A282-L285 PolarHBondContact O-N 3.02Å; A282-I286 WeakPolarHBondContact O-CG1 3.44Å; A282-I286 PolarHBondContact O-N 3.19Å; A282-I286 VanDerWaalsContact O-N 3.15Å
283Y91.1Very high89.2Confident94 Ų9444.6 Ų44.637%0.36922%0.222SC..Hα-helixtrans-69.4-43.6-179.7-59-50.9000113.3T178 K278 L285 I286 A287 F299T178-Y283 HydrophobicContact CG2-CE1 4.46Å; K278-Y283 HydrophobicContact CB-CD2 4.11Å; K278-Y283 HydrophobicContact CB-CE2 3.68Å; K278-Y283 WeakPolarHBondContact O-CD2 3.2Å; K278-Y283 PolarHBondContact O-N 2.89Å; Y283-L285 VanDerWaalsContact C-N 3.27Å; Y283-L285 PolarHBondContact O-N 3.43Å; Y283-I286 PolarHBondContact O-N 3.18Å; Y283-A287 WeakPolarHBondContact O-CB 3.39Å; Y283-A287 PolarHBondContact O-N 3.26Å; Y283-F299 AromaticContact CD1-CD2 3.97Å; Y283-F299 HydrophobicContact CD1-CD2 3.97Å; Y283-F299 AromaticContact CD1-CE2 3.87Å; Y283-F299 HydrophobicContact CD1-CE2 3.87Å; Y283-F299 HydrophobicContact CD1-CG 4.46Å; Y283-F299 HydrophobicContact CD1-CZ 4.27Å
284P89.6Confident88.8Confident44 Ų4449 Ų4929%0.28626%0.26SS..Hα-helixtrans-63-32.7174.8-24.436.5000113Q244 D279 A287 A288Q244-P284 PolarHBondContact NE2-O 3.27Å; Q244-P284 VanDerWaalsContact NE2-O 3.1Å; D279-P284 WeakPolarHBondContact O-CD 3.39Å; D279-P284 WeakPolarHBondContact O-CG 3.25Å; P284-A287 PolarHBondContact O-N 2.88Å; P284-A288 VanDerWaalsContact O-CB 3.31Å; P284-A288 WeakPolarHBondContact O-CB 3.22Å; P284-A288 PolarHBondContact O-N 3Å
285L88.8Confident88.5Confident1 Ų152.3 Ų52.31%0.00528%0.277CS..Hα-helixtrans-66-47.1176.3179.267.7000112M175 F180 V217 V232 L234 L281 A282 Y283 A287 A288 A289M175-L285 HydrophobicContact CE-CD2 4.13Å; F180-L285 HydrophobicContact CE1-CD2 4.14Å; F180-L285 HydrophobicContact CE2-CD2 4.46Å; F180-L285 HydrophobicContact CZ-CD2 3.7Å; F180-L285 HydrophobicContact CZ-CG 4.24Å; V217-L285 HydrophobicContact CB-CD2 4.47Å; V217-L285 HydrophobicContact CG1-CD2 3.76Å; V217-L285 HydrophobicContact CG2-CD1 4.17Å; V217-L285 HydrophobicContact CG2-CD2 3.82Å; V217-L285 HydrophobicContact CG2-CG 4.12Å; V232-L285 HydrophobicContact CG1-CD1 3.96Å; V232-L285 HydrophobicContact CG1-CD2 3.8Å; L234-L285 HydrophobicContact CB-CD1 3.84Å; L234-L285 HydrophobicContact CD1-CD1 4.15Å; L234-L285 HydrophobicContact CG-CD1 4.49Å; L281-L285 HydrophobicContact CD2-CD2 4.37Å; L281-L285 WeakPolarHBondContact O-CB 3.43Å; L281-L285 PolarHBondContact O-N 3.33Å; A282-L285 PolarHBondContact O-N 3.02Å; Y283-L285 VanDerWaalsContact C-N 3.27Å; Y283-L285 PolarHBondContact O-N 3.43Å; L285-A287 VanDerWaalsContact C-N 3.32Å; L285-A287 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 2.84Å; L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 3.02Å
286I88.4Confident88.1Confident1 Ų149.8 Ų49.81%0.00528%0.279CS..Hα-helixtrans-65-39.2175.7-60.5164.9000110.3F180 A282 Y283 A289 R290 A298 F299F180-I286 HydrophobicContact CE1-CG1 4.44Å; F180-I286 HydrophobicContact CE2-CD1 3.87Å; F180-I286 HydrophobicContact CE2-CG1 3.91Å; F180-I286 HydrophobicContact CZ-CD1 4Å; F180-I286 HydrophobicContact CZ-CG1 3.51Å; A282-I286 WeakPolarHBondContact O-CG1 3.44Å; A282-I286 PolarHBondContact O-N 3.19Å; A282-I286 VanDerWaalsContact O-N 3.15Å; Y283-I286 PolarHBondContact O-N 3.18Å; I286-A289 PolarHBondContact O-N 3.03Å; I286-R290 HydrophobicContact CG2-CG 4.49Å; I286-R290 WeakPolarHBondContact O-CG 3.37Å; I286-R290 PolarHBondContact O-N 3.3Å; I286-A298 HydrophobicContact CG2-CB 4.46Å; I286-F299 HydrophobicContact CB-CE2 3.87Å; I286-F299 HydrophobicContact CD1-CE2 3.74Å; I286-F299 HydrophobicContact CD1-CZ 3.96Å; I286-F299 HydrophobicContact CG1-CE2 4.41Å; I286-F299 HydrophobicContact CG2-CE2 3.64Å; I286-F299 HydrophobicContact CG2-CZ 4.28Å
287A88.8Confident87.6Confident47 Ų4751.2 Ų51.239%0.38829%0.29SS..Hα-helixtrans-61.2-49.3175.900000111.8Y283 P284 L285 A289 R290 E291Y283-A287 WeakPolarHBondContact O-CB 3.39Å; Y283-A287 PolarHBondContact O-N 3.26Å; P284-A287 PolarHBondContact O-N 2.88Å; L285-A287 VanDerWaalsContact C-N 3.32Å; L285-A287 PolarHBondContact O-N 3.48Å; A287-A289 VanDerWaalsContact C-N 3.33Å; A287-A289 PolarHBondContact O-N 2.84Å; A287-R290 PolarHBondContact O-N 3.42Å; A287-E291 WeakPolarHBondContact O-CB 3.05Å; A287-E291 PolarHBondContact O-N 3.29Å
288A87.2Confident86.9Confident19 Ų1952.3 Ų52.316%0.15730%0.3CS..Hα-helixtrans-62.1-38.2176.700000112.4P284 L285 E291 A292P284-A288 VanDerWaalsContact O-CB 3.31Å; P284-A288 WeakPolarHBondContact O-CB 3.22Å; P284-A288 PolarHBondContact O-N 3Å; L285-A288 PolarHBondContact O-N 2.84Å; A288-E291 PolarHBondContact O-N 2.83Å; A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.31Å; A288-A292 PolarHBondContact O-N 2.87Å
289A85.9Confident86.3Confident2 Ų255.7 Ų55.72%0.01732%0.315CS..Hα-helixtrans-65.3-40.6176.200000112.9C212 L234 L285 I286 A287 M293C212-A289 HydrophobicContact CB-CB 4.25Å; L234-A289 HydrophobicContact CD1-CB 3.9Å; L234-A289 VanDerWaalsContact CD2-CA 3.44Å; L234-A289 HydrophobicContact CD2-CB 3.53Å; L234-A289 HydrophobicContact CG-CB 4.37Å; L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 3.02Å; I286-A289 PolarHBondContact O-N 3.03Å; A287-A289 VanDerWaalsContact C-N 3.33Å; A287-A289 PolarHBondContact O-N 2.84Å; A289-M293 WeakPolarHBondContact O-CB 3.34Å; A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.47Å; A289-M293 PolarHBondContact O-N 2.99Å
290R86.8Confident85.9Confident42 Ų4253.6 Ų53.616%0.15832%0.317CS..Hα-helixtrans-71.2-39.6175.9-66.6-165.993.6-162.84112.1I286 A287 M293 A294 L295 P296 V297I286-R290 HydrophobicContact CG2-CG 4.49Å; I286-R290 WeakPolarHBondContact O-CG 3.37Å; I286-R290 PolarHBondContact O-N 3.3Å; A287-R290 PolarHBondContact O-N 3.42Å; R290-M293 CarbonylContact O-C 3.58Å; R290-M293 PolarHBondContact O-N 3.12Å; R290-A294 PolarHBondContact O-N 3.27Å; R290-A294 VanDerWaalsContact O-N 3.11Å; R290-L295 HydrophobicContact CB-CB 3.91Å; R290-L295 HydrophobicContact CG-CB 4.21Å; R290-L295 HydrophobicContact CG-CD1 4.35Å; R290-L295 PolarHBondContact O-N 3.02Å; R290-P296 WeakPolarHBondContact CD-O 3.43Å; R290-P296 PolarHBondContact NE-O 3.14Å; R290-P296 PolarHBondContact NH1-O 2.87Å; R290-V297 PolarHBondContact NH1-O 3.06Å
291E86.3Confident85.6Confident161 Ų16151.3 Ų51.375%0.75231%0.308SS*.Hα-helixtrans-61.8-46.1175-174.2171.6-166.700111.9A287 A288 M293 A294A287-E291 WeakPolarHBondContact O-CB 3.05Å; A287-E291 PolarHBondContact O-N 3.29Å; A288-E291 PolarHBondContact O-N 2.83Å; E291-M293 VanDerWaalsContact C-N 3.28Å; E291-M293 PolarHBondContact O-N 2.84Å; E291-A294 PolarHBondContact O-N 3.18Å; E291-A294 VanDerWaalsContact O-N 3.07Å
292A84.6Confident85.3Confident31 Ų3155.7 Ų55.726%0.25633%0.328SS..Hα-helixtrans-61.2-33.9176.400000113.3V236 T239 A288 A294V236-A292 HydrophobicContact CG1-CB 4.47Å; V236-A292 HydrophobicContact CG2-CB 4.12Å; T239-A292 HydrophobicContact CG2-CB 4.48Å; A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.31Å; A288-A292 PolarHBondContact O-N 2.87Å; A292-A294 VanDerWaalsContact C-N 3.35Å
293M83.3Confident85Confident58 Ų5857.7 Ų57.729%0.28634%0.344SS..THydrogen-bonded Turntrans-89.88.4176.6-64.1-61.1-60.300113.7V236 A289 R290 E291 L295V236-M293 HydrophobicContact CG1-CG 4.43Å; V236-M293 HydrophobicContact CG1-SD 3.49Å; V236-M293 WeakPolarHBondContact CG1-SD 3.49Å; A289-M293 WeakPolarHBondContact O-CB 3.34Å; A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.47Å; A289-M293 PolarHBondContact O-N 2.99Å; R290-M293 CarbonylContact O-C 3.58Å; R290-M293 PolarHBondContact O-N 3.12Å; E291-M293 VanDerWaalsContact C-N 3.28Å; E291-M293 PolarHBondContact O-N 2.84Å; M293-L295 HydrophobicContact CB-CD1 3.88Å; M293-L295 HydrophobicContact CB-CG 3.88Å; M293-L295 PolarHBondContact O-N 3.15Å; M293-L295 VanDerWaalsContact O-N 3.08Å
294A83.4Confident84.8Confident96 Ų9655.9 Ų55.979%0.79334%0.341SS*.THydrogen-bonded Turntrans52.425.6-173.800000115R290 E291 A292R290-A294 PolarHBondContact O-N 3.27Å; R290-A294 VanDerWaalsContact O-N 3.11Å; E291-A294 PolarHBondContact O-N 3.18Å; E291-A294 VanDerWaalsContact O-N 3.07Å; A292-A294 VanDerWaalsContact C-N 3.35Å
295L84.8Confident84.7Confident68 Ų6857.3 Ų57.336%0.35635%0.35SS..PPolyproline II helixtrans-80.2151.2175.4-65.3172.4000110.4R290 M293R290-L295 HydrophobicContact CB-CB 3.91Å; R290-L295 HydrophobicContact CG-CB 4.21Å; R290-L295 HydrophobicContact CG-CD1 4.35Å; R290-L295 PolarHBondContact O-N 3.02Å; M293-L295 HydrophobicContact CB-CD1 3.88Å; M293-L295 HydrophobicContact CB-CG 3.88Å; M293-L295 PolarHBondContact O-N 3.15Å; M293-L295 VanDerWaalsContact O-N 3.08Å
296P83.1Confident84.5Confident94 Ų9461.6 Ų61.661%0.6138%0.378SS*.PPolyproline II helixtrans-61.5161.5176.225.1-33.7000112R290R290-P296 WeakPolarHBondContact CD-O 3.43Å; R290-P296 PolarHBondContact NE-O 3.14Å; R290-P296 PolarHBondContact NH1-O 2.87Å
297V82.4Confident84.5Confident83 Ų8368.4 Ų68.450%0.50341%0.41SS..PPolyproline II helixtrans-66137.8179.8-173.50000110.6R290 F299 A303R290-V297 PolarHBondContact NH1-O 3.06Å; V297-F299 WeakPolarHBondContact CG1-O 3.46Å; V297-A303 WeakPolarHBondContact O-CB 3.49Å
298A76.7Confident84.6Confident26 Ų2669.9 Ų69.922%0.21541%0.411CS..  trans-87.2-31.5-179.100000114.4I286 A303I286-A298 HydrophobicContact CG2-CB 4.46Å; A298-A303 WeakPolarHBondContact O-CB 3.38Å
299F80.2Confident84.8Confident87 Ų8769.1 Ų69.138%0.38240%0.404SS..SBendtrans-128.7154.8-166-54.6-58.2000111.9Y283 I286 V297Y283-F299 AromaticContact CD1-CD2 3.97Å; Y283-F299 HydrophobicContact CD1-CD2 3.97Å; Y283-F299 AromaticContact CD1-CE2 3.87Å; Y283-F299 HydrophobicContact CD1-CE2 3.87Å; Y283-F299 HydrophobicContact CD1-CG 4.46Å; Y283-F299 HydrophobicContact CD1-CZ 4.27Å; I286-F299 HydrophobicContact CB-CE2 3.87Å; I286-F299 HydrophobicContact CD1-CE2 3.74Å; I286-F299 HydrophobicContact CD1-CZ 3.96Å; I286-F299 HydrophobicContact CG1-CE2 4.41Å; I286-F299 HydrophobicContact CG2-CE2 3.64Å; I286-F299 HydrophobicContact CG2-CZ 4.28Å; V297-F299 WeakPolarHBondContact CG1-O 3.46Å
300G82.5Confident85Confident55 Ų5571.2 Ų71.257%0.56742%0.415SS*.SBendtrans88.1179.117900000114.3Q302 A303G300-Q302 PolarHBondContact O-N 2.91Å; G300-Q302 VanDerWaalsContact O-N 3.11Å; G300-A303 PolarHBondContact O-N 3.31Å
301L83.8Confident85.1Confident65 Ų6575.3 Ų75.334%0.3443%0.43SS..G310 helixtrans-63.2-21.9-167.5-168.974.9000114.1L304 L309 V312 L324 F331L301-L304 HydrophobicContact CD1-CD1 3.69Å; L301-L309 HydrophobicContact CD1-CD1 4.32Å; L301-L309 HydrophobicContact CD2-CD1 4.42Å; L301-L309 HydrophobicContact CG-CD1 4.05Å; L301-V312 HydrophobicContact CD1-CG1 4.32Å; L301-L324 HydrophobicContact CD2-CD1 4.17Å; L301-F331 HydrophobicContact CB-CE1 4.3Å; L301-F331 HydrophobicContact CB-CZ 3.84Å; L301-F331 HydrophobicContact CD2-CE1 3.81Å; L301-F331 HydrophobicContact CD2-CE2 4.33Å; L301-F331 HydrophobicContact CD2-CZ 3.63Å; L301-F331 HydrophobicContact CG-CE1 3.83Å; L301-F331 HydrophobicContact CG-CZ 3.79Å
302Q82.8Confident85.3Confident96 Ų9670.3 Ų70.345%0.44941%0.411SS..G310 helixtrans-80.9-17.8176.8-61.4-176.918.700113.6G300 L304 F331G300-Q302 PolarHBondContact O-N 2.91Å; G300-Q302 VanDerWaalsContact O-N 3.11Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-F331 HydrophobicContact CB-CZ 4.41Å; Q302-F331 HydrophobicContact CG-CE1 4.05Å; Q302-F331 HydrophobicContact CG-CE2 3.84Å; Q302-F331 HydrophobicContact CG-CZ 3.38Å
303A84.9Confident85.6Confident41 Ų4168.9 Ų68.934%0.33940%0.399SS..G310 helixtrans-88.8-2.2178.300000112.8V297 A298 G300V297-A303 WeakPolarHBondContact O-CB 3.49Å; A298-A303 WeakPolarHBondContact O-CB 3.38Å; G300-A303 PolarHBondContact O-N 3.31Å
304L86.8Confident86Confident57 Ų5772 Ų7230%0.29841%0.407SS..SBendtrans-72.8143.7178.7-70.1-180000111.7L301 Q302 L308L301-L304 HydrophobicContact CD1-CD1 3.69Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; L304-L308 HydrophobicContact CB-CB 4.42Å; L304-L308 HydrophobicContact CD1-CB 4.45Å; L304-L308 HydrophobicContact CD2-CD1 4.33Å
305P86.8Confident86.2Confident74 Ų7473.1 Ų73.148%0.48140%0.399SS..  trans-52.4144.7162.8-25.534.3000111.5E307 L308 L309P305-E307 PolarHBondContact O-N 3.11Å; P305-E307 VanDerWaalsContact O-N 3.1Å; P305-L308 PolarHBondContact O-N 3.44Å; P305-L309 PolarHBondContact O-N 3.1Å; P305-L309 VanDerWaalsContact O-N 3.12Å
306P85.3Confident86.4Confident91 Ų9172.2 Ų72.259%0.59140%0.395SS*.Hα-helixtrans-58.6-30.9-173.922.6-33.8000112.8L309 L310P306-L309 PolarHBondContact O-N 3.36Å; P306-L310 WeakPolarHBondContact O-CB 3.38Å; P306-L310 VanDerWaalsContact O-CG 3.29Å; P306-L310 WeakPolarHBondContact O-CG 3.28Å; P306-L310 PolarHBondContact O-N 3.03Å
307E89Confident86.7Confident144 Ų14470 Ų7067%0.67338%0.378SS*.Hα-helixtrans-62-44.5175.1-60.5-177.8-162.500113.2P305 L310 R311P305-E307 PolarHBondContact O-N 3.11Å; P305-E307 VanDerWaalsContact O-N 3.1Å; E307-L310 PolarHBondContact O-N 2.72Å; E307-R311 WeakPolarHBondContact O-CG 3.36Å; E307-R311 PolarHBondContact O-N 2.93Å
308L90.7Very high86.9Confident78 Ų7866.5 Ų66.541%0.40836%0.358SS..Hα-helixtrans-70.8-39.2178.8-62.5-171.1000110.5L304 P305 R311 V312L304-L308 HydrophobicContact CB-CB 4.42Å; L304-L308 HydrophobicContact CD1-CB 4.45Å; L304-L308 HydrophobicContact CD2-CD1 4.33Å; P305-L308 PolarHBondContact O-N 3.44Å; L308-R311 PolarHBondContact O-N 3.39Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.42Å
309L90.8Very high87.5Confident2 Ų269.2 Ų69.21%0.0137%0.366CS..Hα-helixtrans-58-49172.4-179.159.2000110.9L301 P305 P306 R311 V312 L313 H330 F331 A334L301-L309 HydrophobicContact CD1-CD1 4.32Å; L301-L309 HydrophobicContact CD2-CD1 4.42Å; L301-L309 HydrophobicContact CG-CD1 4.05Å; P305-L309 PolarHBondContact O-N 3.1Å; P305-L309 VanDerWaalsContact O-N 3.12Å; P306-L309 PolarHBondContact O-N 3.36Å; L309-R311 PolarHBondContact O-N 2.93Å; L309-V312 WeakPolarHBondContact O-CB 3.29Å; L309-V312 PolarHBondContact O-N 3.4Å; L309-V312 VanDerWaalsContact O-N 3.12Å; L309-L313 HydrophobicContact CD1-CG 4.32Å; L309-L313 HydrophobicContact CG-CD1 4.26Å; L309-L313 HydrophobicContact CG-CG 4.42Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 2.87Å; L309-H330 WeakPolarHBondContact CD2-NE2 3.37Å; L309-F331 HydrophobicContact CD1-CD1 3.95Å; L309-F331 HydrophobicContact CD1-CE1 3.76Å; L309-F331 HydrophobicContact CD2-CD1 4.11Å; L309-F331 HydrophobicContact CD2-CE1 4.27Å; L309-A334 HydrophobicContact CD2-CB 3.59Å; L309-A334 HydrophobicContact CG-CB 4.2Å
310L90.3Very high88Confident47 Ų4766.9 Ų66.925%0.24636%0.36CS..Hα-helixtrans-63.4-38.2177.2-73.1168.6000113P306 E307 V312 L313 R314 D337 L340P306-L310 WeakPolarHBondContact O-CB 3.38Å; P306-L310 VanDerWaalsContact O-CG 3.29Å; P306-L310 WeakPolarHBondContact O-CG 3.28Å; P306-L310 PolarHBondContact O-N 3.03Å; E307-L310 PolarHBondContact O-N 2.72Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 3.43Å; L310-L313 HydrophobicContact CD2-CD1 4.4Å; L310-L313 PolarHBondContact O-N 3.12Å; L310-R314 WeakPolarHBondContact O-CB 3.34Å; L310-R314 PolarHBondContact O-N 3Å; L310-D337 WeakPolarHBondContact CD1-OD2 3.41Å; L310-D337 HydrophobicContact CD2-CB 4.27Å; L310-D337 VanDerWaalsContact CD2-OD2 3.29Å; L310-D337 WeakPolarHBondContact CD2-OD2 3.32Å; L310-L340 HydrophobicContact CD2-CD2 4.29Å
311R88.3Confident88.4Confident127 Ų12764.3 Ų64.348%0.47933%0.333SS..Hα-helixtrans-58.8-40.8171.9-76.8175.2177-131.70.4111.5E307 L308 L309 I464E307-R311 WeakPolarHBondContact O-CG 3.36Å; E307-R311 PolarHBondContact O-N 2.93Å; L308-R311 PolarHBondContact O-N 3.39Å; L309-R311 PolarHBondContact O-N 2.93Å; R311-I464 PolarHBondContact NH1-O 3.1Å
312V91.3Very high88.8Confident57 Ų5765 Ų6535%0.34534%0.34SS..Hα-helixtrans-69-47.4175.1173.10000111.4L301 L308 L309 L310 R314 L315L301-V312 HydrophobicContact CD1-CG1 4.32Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.42Å; L309-V312 WeakPolarHBondContact O-CB 3.29Å; L309-V312 PolarHBondContact O-N 3.4Å; L309-V312 VanDerWaalsContact O-N 3.12Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 3.43Å; V312-R314 PolarHBondContact O-N 2.92Å; V312-L315 WeakPolarHBondContact O-CB 3.39Å; V312-L315 PolarHBondContact O-N 2.74Å
313L90.7Very high89.2Confident0 Ų067.7 Ų67.70%035%0.346CS..Hα-helixtrans-59.5-34.7178.8-66.5-178.5000112.5L309 L310 L315 L316 L324 A334 L340L309-L313 HydrophobicContact CD1-CG 4.32Å; L309-L313 HydrophobicContact CG-CD1 4.26Å; L309-L313 HydrophobicContact CG-CG 4.42Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 2.87Å; L310-L313 HydrophobicContact CD2-CD1 4.4Å; L310-L313 PolarHBondContact O-N 3.12Å; L313-L315 PolarHBondContact O-N 3.13Å; L313-L316 HydrophobicContact CD2-CD1 3.98Å; L313-L316 PolarHBondContact O-N 3.23Å; L313-L316 VanDerWaalsContact O-N 3.15Å; L313-L324 HydrophobicContact CD2-CD1 4.2Å; L313-L324 HydrophobicContact CD2-CD2 3.48Å; L313-L324 VanDerWaalsContact CD2-CD2 3.48Å; L313-A334 HydrophobicContact CD1-CB 3.82Å; L313-L340 HydrophobicContact CB-CD1 4.13Å; L313-L340 HydrophobicContact CB-CD2 3.94Å; L313-L340 HydrophobicContact CD1-CD2 4.06Å
314R90.8Very high89.5Confident124 Ų12467.2 Ų67.247%0.46834%0.338SS..THydrogen-bonded Turntrans-60-28.5175.8-166.5-178.669.2173.81.1113.5L310 V312 L340 H343 R347L310-R314 WeakPolarHBondContact O-CB 3.34Å; L310-R314 PolarHBondContact O-N 3Å; V312-R314 PolarHBondContact O-N 2.92Å; R314-L340 HydrophobicContact CB-CD1 4.27Å; R314-H343 WeakPolarHBondContact CG-CD2 3.42Å; R314-H343 WeakPolarHBondContact CG-NE2 3.45Å; R314-R347 PolarHBondContact O-NH1 3.17Å; R314-R347 VanDerWaalsContact O-NH1 3.1Å
315L88.6Confident89.7Confident120 Ų12065.4 Ų65.463%0.62833%0.33SS*.THydrogen-bonded Turntrans-81.7-17.1179.9-61.6172.5000113V312 L313V312-L315 WeakPolarHBondContact O-CB 3.39Å; V312-L315 PolarHBondContact O-N 2.74Å; L313-L315 PolarHBondContact O-N 3.13Å
316L89.4Confident90Very high48 Ų4866 Ų6625%0.25134%0.341SS..SBendtrans-78.6155.3-177.9-64.1174.7000112.6L313 L321 L324 R347L313-L316 HydrophobicContact CD2-CD1 3.98Å; L313-L316 PolarHBondContact O-N 3.23Å; L313-L316 VanDerWaalsContact O-N 3.15Å; L316-L321 HydrophobicContact CB-CB 4.42Å; L316-L324 HydrophobicContact CD1-CD1 4.06Å; L316-R347 PolarHBondContact O-NH1 3.18Å; L316-R347 PolarHBondContact O-NH2 3.18Å
317D88Confident90.2Very high49 Ų4966.5 Ų66.526%0.26234%0.343SS..  trans-77.1157.1164.371.1-78000110.8Q319 S320 L321D317-Q319 PolarHBondContact O-N 3.38Å; D317-Q319 WeakPolarHBondContact OD2-CA 3.21Å; D317-Q319 VanDerWaalsContact OD2-CB 3.27Å; D317-Q319 WeakPolarHBondContact OD2-CB 3.34Å; D317-Q319 PolarHBondContact OD2-N 2.91Å; D317-S320 PolarHBondContact O-N 3.45Å; D317-S320 WeakPolarHBondContact OD1-CB 3.39Å; D317-S320 PolarHBondContact OD1-OG 3.24Å; D317-S320 PolarHBondContact OD2-N 2.94Å; D317-S320 PolarHBondContact OD2-OG 3.45Å; D317-L321 WeakPolarHBondContact O-CB 3.29Å; D317-L321 PolarHBondContact O-N 3.3Å
318A87.6Confident90.2Very high9 Ų960.7 Ų60.77%0.07432%0.317CS..Hα-helixtrans-63.6-25.2-176.600000114.3V322 W341 Y366A318-V322 VanDerWaalsContact O-CG2 3.28Å; A318-V322 WeakPolarHBondContact O-CG2 3.35Å; A318-V322 PolarHBondContact O-N 3.43Å; A318-V322 VanDerWaalsContact O-N 3.1Å; A318-W341 HydrophobicContact CB-CZ3 4.43Å; A318-Y366 HydrophobicContact CB-CE1 3.5Å; A318-Y366 VanDerWaalsContact CB-CE1 3.5Å; A318-Y366 VanDerWaalsContact CB-OH 3.23Å; A318-Y366 WeakPolarHBondContact CB-OH 3.28Å
319Q88.2Confident90.1Very high83 Ų8366.8 Ų66.839%0.38834%0.335SS..Hα-helixtrans-74.2-47176.8-55.2-174.56.600110.6D317 L321 V322 R323 Y370D317-Q319 PolarHBondContact O-N 3.38Å; D317-Q319 WeakPolarHBondContact OD2-CA 3.21Å; D317-Q319 VanDerWaalsContact OD2-CB 3.27Å; D317-Q319 WeakPolarHBondContact OD2-CB 3.34Å; D317-Q319 PolarHBondContact OD2-N 2.91Å; Q319-L321 VanDerWaalsContact C-N 3.32Å; Q319-L321 PolarHBondContact O-N 2.93Å; Q319-V322 PolarHBondContact O-N 3.12Å; Q319-R323 WeakPolarHBondContact O-CG 3.41Å; Q319-R323 PolarHBondContact O-N 3.23Å; Q319-Y370 PolarHBondContact NE2-OH 2.68Å
320S91.6Very high90.1Very high38 Ų3869.1 Ų69.127%0.26635%0.346SS..Hα-helixtrans-64.5-37176.8-56.90000112D317 R323 L324D317-S320 PolarHBondContact O-N 3.45Å; D317-S320 WeakPolarHBondContact OD1-CB 3.39Å; D317-S320 PolarHBondContact OD1-OG 3.24Å; D317-S320 PolarHBondContact OD2-N 2.94Å; D317-S320 PolarHBondContact OD2-OG 3.45Å; S320-R323 PolarHBondContact O-N 3.16Å; S320-L324 VanDerWaalsContact O-CB 3.27Å; S320-L324 WeakPolarHBondContact O-CB 3.48Å; S320-L324 PolarHBondContact O-N 2.67Å
321L91.4Very high90Very high0 Ų067.5 Ų67.50%034%0.337CS..Hα-helixtrans-62.7-44173.8-177.2159.6000112L316 D317 Q319 L324 S325 L340 W341 L344L316-L321 HydrophobicContact CB-CB 4.42Å; D317-L321 WeakPolarHBondContact O-CB 3.29Å; D317-L321 PolarHBondContact O-N 3.3Å; Q319-L321 VanDerWaalsContact C-N 3.32Å; Q319-L321 PolarHBondContact O-N 2.93Å; L321-L324 PolarHBondContact O-N 3.35Å; L321-S325 PolarHBondContact O-N 3.35Å; L321-L340 HydrophobicContact CD1-CD2 3.96Å; L321-L340 HydrophobicContact CD1-CG 4.35Å; L321-W341 HydrophobicContact CD2-CH2 3.69Å; L321-W341 HydrophobicContact CD2-CZ2 3.45Å; L321-W341 VanDerWaalsContact CD2-CZ2 3.45Å; L321-L344 HydrophobicContact CD1-CD1 3.6Å
322V90.9Very high90.2Very high79 Ų7965.3 Ų65.348%0.47934%0.335SS..Hα-helixtrans-65.7-41175.2170.40000111.4A318 Q319 L324 S325 A326 W341A318-V322 VanDerWaalsContact O-CG2 3.28Å; A318-V322 WeakPolarHBondContact O-CG2 3.35Å; A318-V322 PolarHBondContact O-N 3.43Å; A318-V322 VanDerWaalsContact O-N 3.1Å; Q319-V322 PolarHBondContact O-N 3.12Å; V322-L324 VanDerWaalsContact C-N 3.35Å; V322-L324 PolarHBondContact O-N 2.99Å; V322-S325 WeakPolarHBondContact CA-OG 3.45Å; V322-S325 PolarHBondContact O-N 2.85Å; V322-S325 PolarHBondContact O-OG 2.73Å; V322-A326 PolarHBondContact O-N 2.86Å; V322-W341 HydrophobicContact CG2-CH2 4.24Å
323R92.4Very high90.1Very high153 Ų15364.8 Ų64.858%0.57734%0.337SS*.Hα-helixtrans-59.5-45.5173.8-70.3175.9-165.8130.29.2111.5Q319 S320 A326Q319-R323 WeakPolarHBondContact O-CG 3.41Å; Q319-R323 PolarHBondContact O-N 3.23Å; S320-R323 PolarHBondContact O-N 3.16Å; R323-A326 WeakPolarHBondContact O-CB 3.18Å; R323-A326 PolarHBondContact O-N 3.36Å; R323-A326 VanDerWaalsContact O-N 3.16Å
324L91.1Very high90.1Very high32 Ų3265.5 Ų65.517%0.16834%0.342CS..Hα-helixtrans-64.4-38177.1173.8148.5000112L301 L313 L316 S320 L321 V322 A326 T327 F331L301-L324 HydrophobicContact CD2-CD1 4.17Å; L313-L324 HydrophobicContact CD2-CD1 4.2Å; L313-L324 HydrophobicContact CD2-CD2 3.48Å; L313-L324 VanDerWaalsContact CD2-CD2 3.48Å; L316-L324 HydrophobicContact CD1-CD1 4.06Å; S320-L324 VanDerWaalsContact O-CB 3.27Å; S320-L324 WeakPolarHBondContact O-CB 3.48Å; S320-L324 PolarHBondContact O-N 2.67Å; L321-L324 PolarHBondContact O-N 3.35Å; V322-L324 VanDerWaalsContact C-N 3.35Å; V322-L324 PolarHBondContact O-N 2.99Å; L324-A326 PolarHBondContact O-N 3.27Å; L324-T327 PolarHBondContact O-N 2.86Å; L324-T327 VanDerWaalsContact O-N 3.13Å; L324-T327 PolarHBondContact O-OG1 3.47Å; L324-F331 HydrophobicContact CD2-CB 3.66Å; L324-F331 HydrophobicContact CD2-CD1 4.39Å; L324-F331 HydrophobicContact CD2-CD2 4.48Å; L324-F331 HydrophobicContact CD2-CG 3.95Å; L324-F331 HydrophobicContact CG-CB 4.33Å; L324-F331 HydrophobicContact CG-CD2 4.35Å; L324-F331 HydrophobicContact CG-CG 4.3Å
325S91.4Very high90Very high19 Ų1959.6 Ų59.613%0.13332%0.32CS..Hα-helixtrans-63.2-23.7174.273.20000113.5L321 V322 N332 S335L321-S325 PolarHBondContact O-N 3.35Å; V322-S325 WeakPolarHBondContact CA-OG 3.45Å; V322-S325 PolarHBondContact O-N 2.85Å; V322-S325 PolarHBondContact O-OG 2.73Å; S325-N332 WeakPolarHBondContact O-CB 3.44Å; S325-S335 WeakPolarHBondContact CB-OG 3.37Å
326A91.9Very high90Very high86 Ų8657.2 Ų57.271%0.71131%0.313SS*.THydrogen-bonded Turntrans-84.2-8.3177.400000113.7V322 R323 L324V322-A326 PolarHBondContact O-N 2.86Å; R323-A326 WeakPolarHBondContact O-CB 3.18Å; R323-A326 PolarHBondContact O-N 3.36Å; R323-A326 VanDerWaalsContact O-N 3.16Å; L324-A326 PolarHBondContact O-N 3.27Å
327T90.7Very high90Very high102 Ų10257.5 Ų57.563%0.62632%0.315SS*.THydrogen-bonded Turntrans-89.7-27.2-177.766.60000114.2L324L324-T327 PolarHBondContact O-N 2.86Å; L324-T327 VanDerWaalsContact O-N 3.13Å; L324-T327 PolarHBondContact O-OG1 3.47Å
328S88.6Confident90Very high21 Ų2158.5 Ų58.515%0.14733%0.326CS..  trans-152.1153.3176.9870000112.9H330 F331 N332S328-H330 VanDerWaalsContact C-N 3.28Å; S328-H330 PolarHBondContact O-N 3.32Å; S328-F331 PolarHBondContact O-N 2.78Å; S328-F331 WeakPolarHBondContact OG-CB 3.43Å; S328-F331 WeakPolarHBondContact OG-CD2 3.4Å; S328-F331 VanDerWaalsContact OG-CG 3.31Å; S328-F331 WeakPolarHBondContact OG-CG 3.27Å; S328-F331 PolarHBondContact OG-N 3.21Å; S328-N332 WeakPolarHBondContact O-CB 3.4Å; S328-N332 PolarHBondContact O-N 3.35Å
329W89Confident90.1Very high207 Ų20762.7 Ų62.778%0.78435%0.351SS*.Hα-helixtrans-61.6-37.3175.874.9-94.5000112N332 A333W329-N332 WeakPolarHBondContact O-CB 3.25Å; W329-N332 PolarHBondContact O-N 3.29Å; W329-A333 PolarHBondContact O-N 3.1Å
330H89.1Confident90.2Very high50 Ų5059.1 Ų59.123%0.23133%0.334CS..Hα-helixtrans-66.7-43.9-179.3177.580.1000111.3L309 S328 A333 A334L309-H330 WeakPolarHBondContact CD2-NE2 3.37Å; S328-H330 VanDerWaalsContact C-N 3.28Å; S328-H330 PolarHBondContact O-N 3.32Å; H330-A333 PolarHBondContact O-N 2.94Å; H330-A334 PolarHBondContact O-N 3.43Å
331F89.8Confident90.1Very high14 Ų1457.8 Ų57.86%0.06132%0.323CS..Hα-helixtrans-70.2-33174-65.4-36.2000112.6L301 Q302 L309 L324 S328 S335L301-F331 HydrophobicContact CB-CE1 4.3Å; L301-F331 HydrophobicContact CB-CZ 3.84Å; L301-F331 HydrophobicContact CD2-CE1 3.81Å; L301-F331 HydrophobicContact CD2-CE2 4.33Å; L301-F331 HydrophobicContact CD2-CZ 3.63Å; L301-F331 HydrophobicContact CG-CE1 3.83Å; L301-F331 HydrophobicContact CG-CZ 3.79Å; Q302-F331 HydrophobicContact CB-CZ 4.41Å; Q302-F331 HydrophobicContact CG-CE1 4.05Å; Q302-F331 HydrophobicContact CG-CE2 3.84Å; Q302-F331 HydrophobicContact CG-CZ 3.38Å; L309-F331 HydrophobicContact CD1-CD1 3.95Å; L309-F331 HydrophobicContact CD1-CE1 3.76Å; L309-F331 HydrophobicContact CD2-CD1 4.11Å; L309-F331 HydrophobicContact CD2-CE1 4.27Å; L324-F331 HydrophobicContact CD2-CB 3.66Å; L324-F331 HydrophobicContact CD2-CD1 4.39Å; L324-F331 HydrophobicContact CD2-CD2 4.48Å; L324-F331 HydrophobicContact CD2-CG 3.95Å; L324-F331 HydrophobicContact CG-CB 4.33Å; L324-F331 HydrophobicContact CG-CD2 4.35Å; L324-F331 HydrophobicContact CG-CG 4.3Å; S328-F331 PolarHBondContact O-N 2.78Å; S328-F331 WeakPolarHBondContact OG-CB 3.43Å; S328-F331 WeakPolarHBondContact OG-CD2 3.4Å; S328-F331 VanDerWaalsContact OG-CG 3.31Å; S328-F331 WeakPolarHBondContact OG-CG 3.27Å; S328-F331 PolarHBondContact OG-N 3.21Å; F331-S335 WeakPolarHBondContact O-CB 3.48Å; F331-S335 PolarHBondContact O-N 2.99Å; F331-S335 PolarHBondContact O-OG 3.4Å
332N90.9Very high90Very high81 Ų8162.3 Ų62.343%0.43334%0.343SS..Hα-helixtrans-60.2-47.5170.8-169.119.5000111.2S325 S328 W329 S335 S336S325-N332 WeakPolarHBondContact O-CB 3.44Å; S328-N332 WeakPolarHBondContact O-CB 3.4Å; S328-N332 PolarHBondContact O-N 3.35Å; W329-N332 WeakPolarHBondContact O-CB 3.25Å; W329-N332 PolarHBondContact O-N 3.29Å; N332-S335 CarbonylContact O-C 3.53Å; N332-S335 PolarHBondContact O-N 3.26Å; N332-S335 PolarHBondContact O-OG 3.15Å; N332-S336 PolarHBondContact O-N 3.26Å
333A90.3Very high89.8Confident46 Ų4662 Ų6238%0.3834%0.337SS..Hα-helixtrans-58-53.1176.600000111.8W329 H330 S335 S336W329-A333 PolarHBondContact O-N 3.1Å; H330-A333 PolarHBondContact O-N 2.94Å; A333-S335 PolarHBondContact O-N 3.04Å; A333-S336 VanDerWaalsContact O-CB 3.28Å; A333-S336 WeakPolarHBondContact O-CB 3.28Å; A333-S336 PolarHBondContact O-N 3.31Å; A333-S336 PolarHBondContact O-OG 3.1Å
334A89.5Confident89.6Confident15 Ų1554.8 Ų54.812%0.12431%0.309CS..Hα-helixtrans-62.3-28176.700000113.5L309 L313 H330 S336L309-A334 HydrophobicContact CD2-CB 3.59Å; L309-A334 HydrophobicContact CG-CB 4.2Å; L313-A334 HydrophobicContact CD1-CB 3.82Å; H330-A334 PolarHBondContact O-N 3.43Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 PolarHBondContact O-N 2.95Å
335S89.1Confident89.4Confident0 Ų054.3 Ų54.30%031%0.305CS..THydrogen-bonded Turntrans-79.1-3.2173.684.40000114.3S325 F331 N332 A333 W341 K363S325-S335 WeakPolarHBondContact CB-OG 3.37Å; F331-S335 WeakPolarHBondContact O-CB 3.48Å; F331-S335 PolarHBondContact O-N 2.99Å; F331-S335 PolarHBondContact O-OG 3.4Å; N332-S335 CarbonylContact O-C 3.53Å; N332-S335 PolarHBondContact O-N 3.26Å; N332-S335 PolarHBondContact O-OG 3.15Å; A333-S335 PolarHBondContact O-N 3.04Å; S335-W341 PolarHBondContact O-NE1 3.29Å; S335-K363 PolarHBondContact O-NZ 2.84Å
336S88.3Confident89.1Confident69 Ų6956.7 Ų56.748%0.48332%0.316SS..THydrogen-bonded Turntrans-84.9-19.7179780000112.9N332 A333 A334 S338N332-S336 PolarHBondContact O-N 3.26Å; A333-S336 VanDerWaalsContact O-CB 3.28Å; A333-S336 WeakPolarHBondContact O-CB 3.28Å; A333-S336 PolarHBondContact O-N 3.31Å; A333-S336 PolarHBondContact O-OG 3.1Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 PolarHBondContact O-N 2.95Å; S336-S338 PolarHBondContact O-N 3.35Å
337D90.3Very high88.8Confident54 Ų5456.6 Ų56.629%0.28930%0.297SS..  trans-54.2120.9-173.8-72.511.6000114.1L310 T339 L340 W341L310-D337 WeakPolarHBondContact CD1-OD2 3.41Å; L310-D337 HydrophobicContact CD2-CB 4.27Å; L310-D337 VanDerWaalsContact CD2-OD2 3.29Å; L310-D337 WeakPolarHBondContact CD2-OD2 3.32Å; D337-T339 VanDerWaalsContact C-N 3.28Å; D337-T339 PolarHBondContact O-N 3.31Å; D337-L340 HydrophobicContact CB-CB 4.13Å; D337-L340 WeakPolarHBondContact O-CB 3.09Å; D337-L340 PolarHBondContact O-N 2.97Å; D337-W341 VanDerWaalsContact O-CD1 3.23Å; D337-W341 PolarHBondContact O-N 3.21Å
338S88.7Confident88.5Confident70 Ų7054.5 Ų54.549%0.4928%0.282SS..Hα-helixtrans-62.8-33-177630000113.1S336 W341 K342S336-S338 PolarHBondContact O-N 3.35Å; S338-W341 PolarHBondContact O-N 3.48Å; S338-K342 PolarHBondContact O-N 2.94Å
339T88.9Confident88.1Confident97 Ų9755 Ų5560%0.59528%0.282SS*.Hα-helixtrans-69-34.6178.557.20000112.5D337 K342 H343D337-T339 VanDerWaalsContact C-N 3.28Å; D337-T339 PolarHBondContact O-N 3.31Å; T339-K342 WeakPolarHBondContact O-CB 3.23Å; T339-K342 PolarHBondContact O-N 3.45Å; T339-H343 PolarHBondContact O-N 2.59Å
340L90.3Very high87Confident8 Ų850 Ų504%0.04228%0.278CS..Hα-helixtrans-63.9-49.3173.7179.462.9000110.2L310 L313 R314 L321 D337 K342 H343 L344L310-L340 HydrophobicContact CD2-CD2 4.29Å; L313-L340 HydrophobicContact CB-CD1 4.13Å; L313-L340 HydrophobicContact CB-CD2 3.94Å; L313-L340 HydrophobicContact CD1-CD2 4.06Å; R314-L340 HydrophobicContact CB-CD1 4.27Å; L321-L340 HydrophobicContact CD1-CD2 3.96Å; L321-L340 HydrophobicContact CD1-CG 4.35Å; D337-L340 HydrophobicContact CB-CB 4.13Å; D337-L340 WeakPolarHBondContact O-CB 3.09Å; D337-L340 PolarHBondContact O-N 2.97Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 2.99Å; L340-H343 PolarHBondContact O-N 3.11Å; L340-H343 VanDerWaalsContact O-N 3.17Å; L340-L344 HydrophobicContact CD1-CD1 4.46Å; L340-L344 HydrophobicContact CG-CD1 4.19Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.3Å; L340-L344 PolarHBondContact O-N 3.45Å
341W90Very high85.5Confident10 Ų1053.3 Ų53.34%0.03831%0.307CS..Hα-helixtrans-64.5-33.8175.8-67.999.8000113.2A318 L321 V322 S335 D337 S338 L344 Y345 W362 K363 Y366A318-W341 HydrophobicContact CB-CZ3 4.43Å; L321-W341 HydrophobicContact CD2-CH2 3.69Å; L321-W341 HydrophobicContact CD2-CZ2 3.45Å; L321-W341 VanDerWaalsContact CD2-CZ2 3.45Å; V322-W341 HydrophobicContact CG2-CH2 4.24Å; S335-W341 PolarHBondContact O-NE1 3.29Å; D337-W341 VanDerWaalsContact O-CD1 3.23Å; D337-W341 PolarHBondContact O-N 3.21Å; S338-W341 PolarHBondContact O-N 3.48Å; W341-L344 HydrophobicContact CD2-CD1 4.42Å; W341-L344 HydrophobicContact CE3-CD1 4.07Å; W341-L344 HydrophobicContact CZ3-CD1 4.29Å; W341-L344 PolarHBondContact O-N 2.89Å; W341-Y345 VanDerWaalsContact O-CB 3.3Å; W341-Y345 WeakPolarHBondContact O-CB 3.3Å; W341-Y345 PolarHBondContact O-N 2.96Å; W341-W362 HydrophobicContact CB-CB 3.75Å; W341-K363 HydrophobicContact CB-CB 4.32Å; W341-K363 HydrophobicContact CD2-CB 4.02Å; W341-K363 HydrophobicContact CD2-CD 4.39Å; W341-K363 HydrophobicContact CD2-CG 3.84Å; W341-K363 HydrophobicContact CE3-CG 4.43Å; W341-K363 HydrophobicContact CG-CB 3.76Å; W341-K363 HydrophobicContact CG-CG 4.09Å; W341-K363 HydrophobicContact CZ2-CD 4.15Å; W341-K363 HydrophobicContact CZ2-CG 4.13Å; W341-Y366 HydrophobicContact CE3-CD1 4.11Å; W341-Y366 HydrophobicContact CE3-CD2 4.34Å; W341-Y366 AromaticContact CE3-CG 3.88Å; W341-Y366 HydrophobicContact CE3-CG 3.88Å; W341-Y366 AromaticContact CZ3-CD1 3.81Å; W341-Y366 HydrophobicContact CZ3-CD1 3.81Å; W341-Y366 HydrophobicContact CZ3-CE1 4.27Å; W341-Y366 HydrophobicContact CZ3-CG 4.08Å
342K88.2Confident83.8Confident95 Ų9555.6 Ų55.641%0.41333%0.325SS..Hα-helixtrans-60.6-46.7171-176.6177.6-177.8-178.90111.5S338 T339 L340 Y345 L346 W362S338-K342 PolarHBondContact O-N 2.94Å; T339-K342 WeakPolarHBondContact O-CB 3.23Å; T339-K342 PolarHBondContact O-N 3.45Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 2.99Å; K342-Y345 PolarHBondContact O-N 3.22Å; K342-L346 HydrophobicContact CG-CD1 4.21Å; K342-L346 WeakPolarHBondContact O-CG 3.28Å; K342-L346 PolarHBondContact O-N 2.93Å; K342-W362 HydrophobicContact CB-CB 4.36Å; K342-W362 HydrophobicContact CB-CD2 3.56Å; K342-W362 HydrophobicContact CB-CE3 3.97Å; K342-W362 HydrophobicContact CB-CG 3.72Å; K342-W362 HydrophobicContact CD-CD2 4.3Å; K342-W362 HydrophobicContact CD-CH2 4.25Å; K342-W362 HydrophobicContact CD-CZ2 3.72Å; K342-W362 HydrophobicContact CG-CD2 3.72Å; K342-W362 HydrophobicContact CG-CE3 3.88Å; K342-W362 HydrophobicContact CG-CG 4.39Å; K342-W362 HydrophobicContact CG-CH2 3.98Å; K342-W362 HydrophobicContact CG-CZ2 3.83Å; K342-W362 HydrophobicContact CG-CZ3 4Å
343H88.4Confident82.1Confident74 Ų7456.9 Ų56.934%0.34334%0.336SS..Hα-helixtrans-62.7-47.3177.2178.883.4000111.7R314 T339 L340 Y345 L346 R347R314-H343 WeakPolarHBondContact CG-CD2 3.42Å; R314-H343 WeakPolarHBondContact CG-NE2 3.45Å; T339-H343 PolarHBondContact O-N 2.59Å; L340-H343 PolarHBondContact O-N 3.11Å; L340-H343 VanDerWaalsContact O-N 3.17Å; H343-Y345 VanDerWaalsContact C-N 3.33Å; H343-Y345 PolarHBondContact O-N 2.7Å; H343-L346 PolarHBondContact O-N 3.07Å; H343-R347 VanDerWaalsContact O-CB 3.28Å; H343-R347 WeakPolarHBondContact O-CB 3.35Å; H343-R347 PolarHBondContact O-N 2.89Å
344L88.1Confident80.6Confident0 Ų058 Ų580%034%0.339CS..Hα-helixtrans-60.4-42.3178.3-64.9168.1000111.6L321 L340 W341 R347 D348 Y366L321-L344 HydrophobicContact CD1-CD1 3.6Å; L340-L344 HydrophobicContact CD1-CD1 4.46Å; L340-L344 HydrophobicContact CG-CD1 4.19Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.3Å; L340-L344 PolarHBondContact O-N 3.45Å; W341-L344 HydrophobicContact CD2-CD1 4.42Å; W341-L344 HydrophobicContact CE3-CD1 4.07Å; W341-L344 HydrophobicContact CZ3-CD1 4.29Å; W341-L344 PolarHBondContact O-N 2.89Å; L344-R347 VanDerWaalsContact CD2-CZ 3.45Å; L344-R347 PolarHBondContact O-N 2.8Å; L344-D348 VanDerWaalsContact O-CB 3.29Å; L344-D348 WeakPolarHBondContact O-CB 3.48Å; L344-D348 VanDerWaalsContact O-CG 3.29Å; L344-D348 PolarHBondContact O-N 3.41Å; L344-Y366 HydrophobicContact CB-CD2 4.2Å; L344-Y366 HydrophobicContact CB-CE2 3.98Å
345Y86.3Confident79Confident22 Ų2265.6 Ų65.69%0.08638%0.378CS..Hα-helixtrans-60.2-49.1175.5-178.6-91.5000112W341 K342 H343 R347 D348 F349 S352 W362W341-Y345 VanDerWaalsContact O-CB 3.3Å; W341-Y345 WeakPolarHBondContact O-CB 3.3Å; W341-Y345 PolarHBondContact O-N 2.96Å; K342-Y345 PolarHBondContact O-N 3.22Å; H343-Y345 VanDerWaalsContact C-N 3.33Å; H343-Y345 PolarHBondContact O-N 2.7Å; Y345-R347 VanDerWaalsContact C-N 3.33Å; Y345-R347 PolarHBondContact O-N 3.48Å; Y345-D348 PolarHBondContact O-N 3.39Å; Y345-F349 HydrophobicContact CD2-CB 4.49Å; Y345-F349 AromaticContact CD2-CD2 3.68Å; Y345-F349 HydrophobicContact CD2-CD2 3.68Å; Y345-F349 HydrophobicContact CD2-CE2 4.37Å; Y345-F349 HydrophobicContact CD2-CG 4.44Å; Y345-F349 HydrophobicContact CE2-CB 4.23Å; Y345-F349 AromaticContact CE2-CD2 3.96Å; Y345-F349 HydrophobicContact CE2-CD2 3.96Å; Y345-F349 HydrophobicContact CE2-CG 4.32Å; Y345-F349 HydrophobicContact CG-CD2 4.34Å; Y345-F349 WeakPolarHBondContact O-CA 3.35Å; Y345-F349 WeakPolarHBondContact O-CB 3.49Å; Y345-F349 PolarHBondContact O-N 3.48Å; Y345-S352 PolarHBondContact OH-O 3.48Å; Y345-W362 HydrophobicContact CD1-CE3 4.39Å; Y345-W362 HydrophobicContact CD1-CZ3 4.05Å; Y345-W362 HydrophobicContact CG-CE3 4.48Å
346L84.9Confident77.9Confident69 Ų6969 Ų6936%0.36140%0.395SS..Hα-helixtrans-65.1-36178.7-69.3172.6000112.5K342 H343 S350 V353K342-L346 HydrophobicContact CG-CD1 4.21Å; K342-L346 WeakPolarHBondContact O-CG 3.28Å; K342-L346 PolarHBondContact O-N 2.93Å; H343-L346 PolarHBondContact O-N 3.07Å; L346-S350 WeakPolarHBondContact O-CA 3.39Å; L346-S350 WeakPolarHBondContact O-CB 3.27Å; L346-S350 PolarHBondContact O-OG 2.95Å; L346-V353 HydrophobicContact CD2-CG2 3.77Å
347R85.4Confident76.7Confident84 Ų8470.2 Ų70.232%0.31740%0.402SS..Hα-helixtrans-68.2-42.3177.4-172.9-167.672.7-171.3-1.7112.2R314 L316 H343 L344 Y345R314-R347 PolarHBondContact O-NH1 3.17Å; R314-R347 VanDerWaalsContact O-NH1 3.1Å; L316-R347 PolarHBondContact O-NH1 3.18Å; L316-R347 PolarHBondContact O-NH2 3.18Å; H343-R347 VanDerWaalsContact O-CB 3.28Å; H343-R347 WeakPolarHBondContact O-CB 3.35Å; H343-R347 PolarHBondContact O-N 2.89Å; L344-R347 VanDerWaalsContact CD2-CZ 3.45Å; L344-R347 PolarHBondContact O-N 2.8Å; Y345-R347 VanDerWaalsContact C-N 3.33Å; Y345-R347 PolarHBondContact O-N 3.48Å
348D84Confident75.2Confident59 Ų5980.1 Ų80.132%0.31644%0.435SS..Hα-helixtrans-95.6-23.1-169.6-61.3-18.1000112.7L344 Y345 Y366L344-D348 VanDerWaalsContact O-CB 3.29Å; L344-D348 WeakPolarHBondContact O-CB 3.48Å; L344-D348 VanDerWaalsContact O-CG 3.29Å; L344-D348 PolarHBondContact O-N 3.41Å; Y345-D348 PolarHBondContact O-N 3.39Å; D348-Y366 HydrophobicContact CB-CE2 4.26Å; D348-Y366 PolarHBondContact OD2-OH 2.86Å; D348-Y366 VanDerWaalsContact OD2-OH 3.05Å
349F80.9Confident73.9Confident31 Ų3185.9 Ų85.914%0.13645%0.454CS..  trans-130.342.8-176.5-53.8-76.3000113.4Y345 S351 Y366 S369 Y370 C373Y345-F349 HydrophobicContact CD2-CB 4.49Å; Y345-F349 AromaticContact CD2-CD2 3.68Å; Y345-F349 HydrophobicContact CD2-CD2 3.68Å; Y345-F349 HydrophobicContact CD2-CE2 4.37Å; Y345-F349 HydrophobicContact CD2-CG 4.44Å; Y345-F349 HydrophobicContact CE2-CB 4.23Å; Y345-F349 AromaticContact CE2-CD2 3.96Å; Y345-F349 HydrophobicContact CE2-CD2 3.96Å; Y345-F349 HydrophobicContact CE2-CG 4.32Å; Y345-F349 HydrophobicContact CG-CD2 4.34Å; Y345-F349 WeakPolarHBondContact O-CA 3.35Å; Y345-F349 WeakPolarHBondContact O-CB 3.49Å; Y345-F349 PolarHBondContact O-N 3.48Å; F349-S351 PolarHBondContact O-N 2.88Å; F349-Y366 HydrophobicContact CD2-CD2 4.35Å; F349-Y366 HydrophobicContact CD2-CE2 4.25Å; F349-Y366 AromaticContact CE2-CD2 3.84Å; F349-Y366 HydrophobicContact CE2-CD2 3.84Å; F349-Y366 HydrophobicContact CE2-CE1 4.5Å; F349-Y366 AromaticContact CE2-CE2 3.62Å; F349-Y366 HydrophobicContact CE2-CE2 3.62Å; F349-Y366 HydrophobicContact CE2-CG 4.36Å; F349-Y366 AromaticContact CE2-CZ 3.94Å; F349-S369 WeakPolarHBondContact CD2-OG 3.06Å; F349-S369 WeakPolarHBondContact CE2-OG 3.09Å; F349-S369 WeakPolarHBondContact CZ-OG 3.33Å; F349-Y370 HydrophobicContact CZ-CD2 4.46Å; F349-C373 HydrophobicContact CE1-CB 4.27Å
350S66.1Low73.3Confident101 Ų10182.1 Ų82.171%0.70643%0.431SS*.THydrogen-bonded Turntrans-59.415.5-172.3-44.10000118.2L346L346-S350 WeakPolarHBondContact O-CA 3.39Å; L346-S350 WeakPolarHBondContact O-CB 3.27Å; L346-S350 PolarHBondContact O-OG 2.95Å
351S56.4Low73Confident120 Ų12087.3 Ų87.384%0.83946%0.459SS*.THydrogen-bonded Turntrans-115.50.3-173.256.30000115.7F349F349-S351 PolarHBondContact O-N 2.88Å
352S55.6Low72.8Confident63 Ų6388.8 Ų88.844%0.44147%0.465SS..  trans-152.3114.3166.4590000111.7Y345 P354Y345-S352 PolarHBondContact OH-O 3.48Å; S352-P354 WeakPolarHBondContact O-CD 3.22Å
353V55Low72.7Confident108 Ų10888.2 Ų88.266%0.65546%0.462SS*.  trans-102.598.5154.6-1790000105L346L346-V353 HydrophobicContact CD2-CG2 3.77Å
354P58.3Low72.6Confident68 Ų6889 Ų8944%0.44247%0.466SS..  trans-68.4154.1165.64.310.5000108.5S352 L356S352-P354 WeakPolarHBondContact O-CD 3.22Å; P354-L356 HydrophobicContact CB-CD1 3.44Å; P354-L356 VanDerWaalsContact CB-CD1 3.44Å; P354-L356 HydrophobicContact CG-CD1 3.5Å; P354-L356 VanDerWaalsContact CG-CD1 3.5Å; P354-L356 WeakPolarHBondContact O-CD1 3.41Å; P354-L356 PolarHBondContact O-N 3.1Å
355D56.3Low72.5Confident176 Ų17691.1 Ų91.194%0.94148%0.477SS*.  trans-64.297.3174.4-69-54.6000109.6
356L65.3Low72.6Confident70 Ų7090.7 Ų90.737%0.36648%0.475SS..  trans-104.9143.5-171.3-104.574.6000112.5P354 T360 L365P354-L356 HydrophobicContact CB-CD1 3.44Å; P354-L356 VanDerWaalsContact CB-CD1 3.44Å; P354-L356 HydrophobicContact CG-CD1 3.5Å; P354-L356 VanDerWaalsContact CG-CD1 3.5Å; P354-L356 WeakPolarHBondContact O-CD1 3.41Å; P354-L356 PolarHBondContact O-N 3.1Å; L356-T360 HydrophobicContact CD2-CG2 3.76Å; L356-L365 HydrophobicContact CD2-CD1 3.18Å; L356-L365 HydrophobicContact CD2-CD2 4.46Å; L356-L365 HydrophobicContact CD2-CG 4.42Å
357P62.7Low72.7Confident96 Ų9693.1 Ų93.162%0.62348%0.483SS*.  trans-63.4153.5179.727.5-34.3000111.4E359 T360P357-E359 PolarHBondContact O-N 3.28Å; P357-E359 VanDerWaalsContact O-N 3.1Å; P357-T360 PolarHBondContact O-N 2.87Å; P357-T360 PolarHBondContact O-OG1 3.19Å
358R60.3Low72.8Confident262 Ų26295.7 Ų95.799%0.98950%0.496SS*.SBendtrans-55.7-32.3-174-131.5175.1-173.6-136.13.4113.3T360R358-T360 PolarHBondContact O-N 3.04Å
359E61.6Low72.8Confident190 Ų19094 Ų9489%0.88849%0.489SS*.SBendtrans-94.674.7175.3-66.4179.517300110.4P357P357-E359 PolarHBondContact O-N 3.28Å; P357-E359 VanDerWaalsContact O-N 3.1Å
360T74.6Confident73.1Confident19 Ų1994.8 Ų94.812%0.11749%0.492CS..  trans-102.6119.3179-78.10000111.5L356 P357 R358 W362 L365L356-T360 HydrophobicContact CD2-CG2 3.76Å; P357-T360 PolarHBondContact O-N 2.87Å; P357-T360 PolarHBondContact O-OG1 3.19Å; R358-T360 PolarHBondContact O-N 3.04Å; T360-W362 VanDerWaalsContact C-N 3.27Å; T360-W362 HydrophobicContact CG2-CD2 3.74Å; T360-W362 HydrophobicContact CG2-CE3 4.2Å; T360-W362 HydrophobicContact CG2-CG 4.02Å; T360-W362 HydrophobicContact CG2-CH2 4.44Å; T360-W362 HydrophobicContact CG2-CZ2 4Å; T360-W362 PolarHBondContact O-N 3.23Å; T360-W362 PolarHBondContact O-NE1 2.89Å; T360-L365 HydrophobicContact CG2-CD1 3.27Å; T360-L365 HydrophobicContact CG2-CG 4.29Å
361D84.9Confident74Confident116 Ų11695.9 Ų95.962%0.6248%0.484SS*.  trans-70.978.8167.7-89.1-12.7000111.3K363 Q364 L365D361-K363 PolarHBondContact O-N 3.02Å; D361-K363 VanDerWaalsContact O-N 3.11Å; D361-Q364 HydrophobicContact CB-CB 3.89Å; D361-Q364 HydrophobicContact CB-CG 3.83Å; D361-Q364 PolarHBondContact O-N 2.94Å; D361-L365 PolarHBondContact O-N 3.43Å
362W85.6Confident75.3Confident42 Ų4294.3 Ų94.316%0.15947%0.469CS..Hα-helixtrans-52.4-35.5179.6-65.797.6000113.1W341 K342 Y345 T360 L365 Y366W341-W362 HydrophobicContact CB-CB 3.75Å; K342-W362 HydrophobicContact CB-CB 4.36Å; K342-W362 HydrophobicContact CB-CD2 3.56Å; K342-W362 HydrophobicContact CB-CE3 3.97Å; K342-W362 HydrophobicContact CB-CG 3.72Å; K342-W362 HydrophobicContact CD-CD2 4.3Å; K342-W362 HydrophobicContact CD-CH2 4.25Å; K342-W362 HydrophobicContact CD-CZ2 3.72Å; K342-W362 HydrophobicContact CG-CD2 3.72Å; K342-W362 HydrophobicContact CG-CE3 3.88Å; K342-W362 HydrophobicContact CG-CG 4.39Å; K342-W362 HydrophobicContact CG-CH2 3.98Å; K342-W362 HydrophobicContact CG-CZ2 3.83Å; K342-W362 HydrophobicContact CG-CZ3 4Å; Y345-W362 HydrophobicContact CD1-CE3 4.39Å; Y345-W362 HydrophobicContact CD1-CZ3 4.05Å; Y345-W362 HydrophobicContact CG-CE3 4.48Å; T360-W362 VanDerWaalsContact C-N 3.27Å; T360-W362 HydrophobicContact CG2-CD2 3.74Å; T360-W362 HydrophobicContact CG2-CE3 4.2Å; T360-W362 HydrophobicContact CG2-CG 4.02Å; T360-W362 HydrophobicContact CG2-CH2 4.44Å; T360-W362 HydrophobicContact CG2-CZ2 4Å; T360-W362 PolarHBondContact O-N 3.23Å; T360-W362 PolarHBondContact O-NE1 2.89Å; W362-L365 PolarHBondContact O-N 2.96Å; W362-Y366 VanDerWaalsContact O-CB 3.32Å; W362-Y366 WeakPolarHBondContact O-CB 3.45Å; W362-Y366 PolarHBondContact O-N 3.33Å
363K86.1Confident76.5Confident83 Ų8392.8 Ų92.836%0.36146%0.458SS..Hα-helixtrans-64.9-40175.7-168.6168.5-170.2162.80112.5S335 W341 D361 K367S335-K363 PolarHBondContact O-NZ 2.84Å; W341-K363 HydrophobicContact CB-CB 4.32Å; W341-K363 HydrophobicContact CD2-CB 4.02Å; W341-K363 HydrophobicContact CD2-CD 4.39Å; W341-K363 HydrophobicContact CD2-CG 3.84Å; W341-K363 HydrophobicContact CE3-CG 4.43Å; W341-K363 HydrophobicContact CG-CB 3.76Å; W341-K363 HydrophobicContact CG-CG 4.09Å; W341-K363 HydrophobicContact CZ2-CD 4.15Å; W341-K363 HydrophobicContact CZ2-CG 4.13Å; D361-K363 PolarHBondContact O-N 3.02Å; D361-K363 VanDerWaalsContact O-N 3.11Å; K363-K367 WeakPolarHBondContact O-CB 3.44Å; K363-K367 PolarHBondContact O-N 3.38Å; K363-K367 VanDerWaalsContact O-N 3.07Å
364Q86.5Confident77.7Confident91 Ų9190.1 Ų90.143%0.42544%0.44SS..Hα-helixtrans-74.3-35.7177.3-63.2-692.500111.7D361 K367 K368D361-Q364 HydrophobicContact CB-CB 3.89Å; D361-Q364 HydrophobicContact CB-CG 3.83Å; D361-Q364 PolarHBondContact O-N 2.94Å; Q364-K367 WeakPolarHBondContact O-CB 3.48Å; Q364-K367 PolarHBondContact O-N 3.45Å; Q364-K368 WeakPolarHBondContact O-CG 3.49Å; Q364-K368 PolarHBondContact O-N 3.44Å
365L86.3Confident78.8Confident44 Ų4491 Ų9123%0.2344%0.441CS..Hα-helixtrans-65.8-46.9173.6-68.2-180000112.2L356 T360 D361 W362 K367 K368 S369L356-L365 HydrophobicContact CD2-CD1 3.18Å; L356-L365 HydrophobicContact CD2-CD2 4.46Å; L356-L365 HydrophobicContact CD2-CG 4.42Å; T360-L365 HydrophobicContact CG2-CD1 3.27Å; T360-L365 HydrophobicContact CG2-CG 4.29Å; D361-L365 PolarHBondContact O-N 3.43Å; W362-L365 PolarHBondContact O-N 2.96Å; L365-K367 PolarHBondContact O-N 3.42Å; L365-K368 WeakPolarHBondContact O-CA 3.48Å; L365-K368 WeakPolarHBondContact O-CB 3.29Å; L365-K368 PolarHBondContact O-N 2.91Å; L365-S369 PolarHBondContact O-N 3.23Å; L365-S369 PolarHBondContact O-OG 2.9Å
366Y87.6Confident79.6Confident13 Ų1385.1 Ų85.15%0.05141%0.411CS..Hα-helixtrans-55.2-44.1173.5-170.5-75.9000110.4A318 W341 L344 D348 F349 W362 K368 S369 Y370A318-Y366 HydrophobicContact CB-CE1 3.5Å; A318-Y366 VanDerWaalsContact CB-CE1 3.5Å; A318-Y366 VanDerWaalsContact CB-OH 3.23Å; A318-Y366 WeakPolarHBondContact CB-OH 3.28Å; W341-Y366 HydrophobicContact CE3-CD1 4.11Å; W341-Y366 HydrophobicContact CE3-CD2 4.34Å; W341-Y366 AromaticContact CE3-CG 3.88Å; W341-Y366 HydrophobicContact CE3-CG 3.88Å; W341-Y366 AromaticContact CZ3-CD1 3.81Å; W341-Y366 HydrophobicContact CZ3-CD1 3.81Å; W341-Y366 HydrophobicContact CZ3-CE1 4.27Å; W341-Y366 HydrophobicContact CZ3-CG 4.08Å; L344-Y366 HydrophobicContact CB-CD2 4.2Å; L344-Y366 HydrophobicContact CB-CE2 3.98Å; D348-Y366 HydrophobicContact CB-CE2 4.26Å; D348-Y366 PolarHBondContact OD2-OH 2.86Å; D348-Y366 VanDerWaalsContact OD2-OH 3.05Å; F349-Y366 HydrophobicContact CD2-CD2 4.35Å; F349-Y366 HydrophobicContact CD2-CE2 4.25Å; F349-Y366 AromaticContact CE2-CD2 3.84Å; F349-Y366 HydrophobicContact CE2-CD2 3.84Å; F349-Y366 HydrophobicContact CE2-CE1 4.5Å; F349-Y366 AromaticContact CE2-CE2 3.62Å; F349-Y366 HydrophobicContact CE2-CE2 3.62Å; F349-Y366 HydrophobicContact CE2-CG 4.36Å; F349-Y366 AromaticContact CE2-CZ 3.94Å; W362-Y366 VanDerWaalsContact O-CB 3.32Å; W362-Y366 WeakPolarHBondContact O-CB 3.45Å; W362-Y366 PolarHBondContact O-N 3.33Å; Y366-K368 VanDerWaalsContact C-N 3.35Å; Y366-K368 PolarHBondContact O-N 3.36Å; Y366-S369 PolarHBondContact O-OG 3.21Å; Y366-Y370 HydrophobicContact CE1-CD2 4.09Å; Y366-Y370 HydrophobicContact CE1-CG 4.33Å; Y366-Y370 WeakPolarHBondContact O-CB 3.44Å; Y366-Y370 PolarHBondContact O-N 3.05Å
367K88.1Confident79.7Confident120 Ų12084.7 Ų84.752%0.52241%0.407SS..Hα-helixtrans-61.7-37.9175.1-173.2179.2-177.8179.80113K363 Q364 L365 K371K363-K367 WeakPolarHBondContact O-CB 3.44Å; K363-K367 PolarHBondContact O-N 3.38Å; K363-K367 VanDerWaalsContact O-N 3.07Å; Q364-K367 WeakPolarHBondContact O-CB 3.48Å; Q364-K367 PolarHBondContact O-N 3.45Å; L365-K367 PolarHBondContact O-N 3.42Å; K367-K371 WeakPolarHBondContact O-CG 3.35Å; K367-K371 PolarHBondContact O-N 3.43Å
368K87.1Confident79.7Confident137 Ų13785.6 Ų85.660%0.59640%0.403SS*.Hα-helixtrans-69.5-53.3176.1-73.9172.5-178.9179.30111.5Q364 L365 Y366 Y370 K371 T372Q364-K368 WeakPolarHBondContact O-CG 3.49Å; Q364-K368 PolarHBondContact O-N 3.44Å; L365-K368 WeakPolarHBondContact O-CA 3.48Å; L365-K368 WeakPolarHBondContact O-CB 3.29Å; L365-K368 PolarHBondContact O-N 2.91Å; Y366-K368 VanDerWaalsContact C-N 3.35Å; Y366-K368 PolarHBondContact O-N 3.36Å; K368-Y370 VanDerWaalsContact C-N 3.32Å; K368-Y370 PolarHBondContact O-N 3.3Å; K368-K371 WeakPolarHBondContact O-CB 3.45Å; K368-K371 PolarHBondContact O-N 3.39Å; K368-T372 PolarHBondContact O-N 2.88Å; K368-T372 PolarHBondContact O-OG1 2.62Å
369S84.4Confident79.7Confident24 Ų2481 Ų8117%0.16839%0.393CS..Hα-helixtrans-63.1-37.8-179.860.60000112.4F349 L365 Y366 T372 C373F349-S369 WeakPolarHBondContact CD2-OG 3.06Å; F349-S369 WeakPolarHBondContact CE2-OG 3.09Å; F349-S369 WeakPolarHBondContact CZ-OG 3.33Å; L365-S369 PolarHBondContact O-N 3.23Å; L365-S369 PolarHBondContact O-OG 2.9Å; Y366-S369 PolarHBondContact O-OG 3.21Å; S369-T372 PolarHBondContact O-N 3.2Å; S369-C373 WeakPolarHBondContact O-CB 3.45Å; S369-C373 PolarHBondContact O-N 2.92Å
370Y85.8Confident79.5Confident48 Ų4876.3 Ų76.319%0.18837%0.372CS..Hα-helixtrans-63.3-42.1175.1-171.2-95.8000112.1Q319 F349 Y366 K368 C373 L374 P452Q319-Y370 PolarHBondContact NE2-OH 2.68Å; F349-Y370 HydrophobicContact CZ-CD2 4.46Å; Y366-Y370 HydrophobicContact CE1-CD2 4.09Å; Y366-Y370 HydrophobicContact CE1-CG 4.33Å; Y366-Y370 WeakPolarHBondContact O-CB 3.44Å; Y366-Y370 PolarHBondContact O-N 3.05Å; K368-Y370 VanDerWaalsContact C-N 3.32Å; K368-Y370 PolarHBondContact O-N 3.3Å; Y370-C373 PolarHBondContact O-N 3Å; Y370-L374 HydrophobicContact CD1-CD1 3.95Å; Y370-L374 HydrophobicContact CD1-CG 4.42Å; Y370-L374 HydrophobicContact CE1-CD1 3.52Å; Y370-L374 HydrophobicContact CE1-CG 4.13Å; Y370-L374 WeakPolarHBondContact O-CG 3.32Å; Y370-L374 PolarHBondContact O-N 3.18Å; Y370-P452 HydrophobicContact CD2-CB 4.37Å; Y370-P452 HydrophobicContact CD2-CG 4.25Å; Y370-P452 HydrophobicContact CE2-CB 4.02Å; Y370-P452 HydrophobicContact CE2-CG 3.82Å
371K86.3Confident78.4Confident124 Ų12484.6 Ų84.654%0.53940%0.401SS..Hα-helixtrans-60.9-52.8172.3-79.6-177.8170.6-160.30111.7K367 K368 C373 L374 D375K367-K371 WeakPolarHBondContact O-CG 3.35Å; K367-K371 PolarHBondContact O-N 3.43Å; K368-K371 WeakPolarHBondContact O-CB 3.45Å; K368-K371 PolarHBondContact O-N 3.39Å; K371-C373 PolarHBondContact O-N 3.4Å; K371-L374 CarbonylContact O-C 3.58Å; K371-L374 WeakPolarHBondContact O-CA 3.47Å; K371-L374 WeakPolarHBondContact O-CB 3.43Å; K371-L374 PolarHBondContact O-N 2.9Å; K371-D375 VanDerWaalsContact O-CG 3.24Å; K371-D375 PolarHBondContact O-N 2.72Å
372T83.8Confident76.7Confident86 Ų8684.4 Ų84.453%0.52841%0.407SS..Hα-helixtrans-56.3-39.2178.5-54.70000112.1K368 S369 D375 V376K368-T372 PolarHBondContact O-N 2.88Å; K368-T372 PolarHBondContact O-OG1 2.62Å; S369-T372 PolarHBondContact O-N 3.2Å; T372-D375 PolarHBondContact O-N 3.13Å; T372-V376 WeakPolarHBondContact O-CB 3.42Å; T372-V376 VanDerWaalsContact O-CG2 3.24Å; T372-V376 WeakPolarHBondContact O-CG2 3.43Å; T372-V376 PolarHBondContact O-N 3.04Å
373C80.4Confident75Confident31 Ų3193 Ų9321%0.20944%0.441CS..Hα-helixtrans-65-41.1175.8-166.80000112.4F349 S369 Y370 K371 Q377F349-C373 HydrophobicContact CE1-CB 4.27Å; S369-C373 WeakPolarHBondContact O-CB 3.45Å; S369-C373 PolarHBondContact O-N 2.92Å; Y370-C373 PolarHBondContact O-N 3Å; K371-C373 PolarHBondContact O-N 3.4Å; C373-Q377 WeakPolarHBondContact O-CB 3.45Å; C373-Q377 PolarHBondContact O-N 3.44Å; C373-Q377 VanDerWaalsContact O-N 3.07Å
374L80.8Confident73.2Confident52 Ų5294.4 Ų94.427%0.27246%0.461SS..Hα-helixtrans-66.1-46.7173.2-72179.2000112.2Y370 K371 V376 Q377 H378Y370-L374 HydrophobicContact CD1-CD1 3.95Å; Y370-L374 HydrophobicContact CD1-CG 4.42Å; Y370-L374 HydrophobicContact CE1-CD1 3.52Å; Y370-L374 HydrophobicContact CE1-CG 4.13Å; Y370-L374 WeakPolarHBondContact O-CG 3.32Å; Y370-L374 PolarHBondContact O-N 3.18Å; K371-L374 CarbonylContact O-C 3.58Å; K371-L374 WeakPolarHBondContact O-CA 3.47Å; K371-L374 WeakPolarHBondContact O-CB 3.43Å; K371-L374 PolarHBondContact O-N 2.9Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.95Å; L374-Q377 CarbonylContact O-C 3.58Å; L374-Q377 WeakPolarHBondContact O-CA 3.24Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 3.06Å; L374-H378 PolarHBondContact O-CD2 2.99Å; L374-H378 PolarHBondContact O-N 3.3Å
375D79.8Confident71.6Confident88 Ų8896.2 Ų96.247%0.47147%0.473SS..Hα-helixtrans-60.6-43.5-177.9-63.1-33.5000110.9K371 T372 Q377 H378 H379K371-D375 VanDerWaalsContact O-CG 3.24Å; K371-D375 PolarHBondContact O-N 2.72Å; T372-D375 PolarHBondContact O-N 3.13Å; D375-Q377 PolarHBondContact O-N 3.41Å; D375-H378 WeakPolarHBondContact O-CB 3.25Å; D375-H378 PolarHBondContact O-N 3.47Å; D375-H378 VanDerWaalsContact O-N 3.17Å; D375-H379 PolarHBondContact O-N 3.07Å
376V74.8Confident69.7Low52 Ų5298.7 Ų98.732%0.31549%0.492SS..Hα-helixtrans-63.7-39.3172.9175.10000111.4T372 L374 H378 H379 I380 F449T372-V376 WeakPolarHBondContact O-CB 3.42Å; T372-V376 VanDerWaalsContact O-CG2 3.24Å; T372-V376 WeakPolarHBondContact O-CG2 3.43Å; T372-V376 PolarHBondContact O-N 3.04Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.95Å; V376-H378 VanDerWaalsContact C-N 3.32Å; V376-H378 PolarHBondContact O-N 2.82Å; V376-H379 PolarHBondContact O-N 3.04Å; V376-I380 HydrophobicContact CG1-CD1 3.61Å; V376-I380 HydrophobicContact CG1-CG1 4.41Å; V376-I380 WeakPolarHBondContact O-CB 3.46Å; V376-I380 VanDerWaalsContact O-CG1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.38Å; V376-I380 PolarHBondContact O-N 3.41Å; V376-F449 HydrophobicContact CB-CE1 4.37Å; V376-F449 HydrophobicContact CB-CZ 4.46Å; V376-F449 HydrophobicContact CG1-CE1 3.62Å; V376-F449 HydrophobicContact CG1-CE2 4.05Å; V376-F449 HydrophobicContact CG1-CZ 3.31Å
377Q65.4Low67.7Low61 Ų61103.8 Ų103.829%0.28553%0.527SS..Hα-helixtrans-66-32.7173.4-173.7168.346.100112.8C373 L374 D375 I380 R381C373-Q377 WeakPolarHBondContact O-CB 3.45Å; C373-Q377 PolarHBondContact O-N 3.44Å; C373-Q377 VanDerWaalsContact O-N 3.07Å; L374-Q377 CarbonylContact O-C 3.58Å; L374-Q377 WeakPolarHBondContact O-CA 3.24Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 3.06Å; D375-Q377 PolarHBondContact O-N 3.41Å; Q377-I380 PolarHBondContact O-N 2.79Å; Q377-R381 PolarHBondContact O-N 3.03Å; Q377-R381 VanDerWaalsContact O-N 3.12Å
378H63.2Low65.8Low115 Ų115105.8 Ų105.853%0.53254%0.536SS..Hα-helixtrans-68.6-38.5173.6-81.5-74.9000111.9L374 D375 V376 I380L374-H378 PolarHBondContact O-CD2 2.99Å; L374-H378 PolarHBondContact O-N 3.3Å; D375-H378 WeakPolarHBondContact O-CB 3.25Å; D375-H378 PolarHBondContact O-N 3.47Å; D375-H378 VanDerWaalsContact O-N 3.17Å; V376-H378 VanDerWaalsContact C-N 3.32Å; V376-H378 PolarHBondContact O-N 2.82Å; H378-I380 VanDerWaalsContact C-N 3.32Å
379H60.9Low63.8Low166 Ų166104.6 Ų104.677%0.76954%0.542SS*.Hα-helixtrans-73-21.4173.2-66.61.8000113.5D375 V376D375-H379 PolarHBondContact O-N 3.07Å; V376-H379 PolarHBondContact O-N 3.04Å
380I57.4Low62.1Low90 Ų90110.7 Ų110.746%0.46257%0.571SS.*Hα-helixtrans-93.6-2.6177.3-67.4171.7000112.7V376 Q377 H378 P382 F449V376-I380 HydrophobicContact CG1-CD1 3.61Å; V376-I380 HydrophobicContact CG1-CG1 4.41Å; V376-I380 WeakPolarHBondContact O-CB 3.46Å; V376-I380 VanDerWaalsContact O-CG1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.38Å; V376-I380 PolarHBondContact O-N 3.41Å; Q377-I380 PolarHBondContact O-N 2.79Å; H378-I380 VanDerWaalsContact C-N 3.32Å; I380-P382 WeakPolarHBondContact O-CD 3.15Å; I380-F449 HydrophobicContact CD1-CD2 3.51Å; I380-F449 HydrophobicContact CD1-CE2 3.21Å; I380-F449 HydrophobicContact CD1-CG 4.33Å; I380-F449 HydrophobicContact CD1-CZ 3.86Å
381R51.2Low59.9Low193 Ų193119.4 Ų119.473%0.72860%0.603SS**SBendtrans-58.9111.5154.5-78.3-168.9175.7-163.4-0.2106Q377 Y383Q377-R381 PolarHBondContact O-N 3.03Å; Q377-R381 VanDerWaalsContact O-N 3.12Å; R381-Y383 PolarHBondContact O-N 3.22Å
382P49.4Very low57.5Low113 Ų113119.9 Ų119.973%0.73461%0.612SS**  trans-59140176.528.3-33.7000106.5I380 S384I380-P382 WeakPolarHBondContact O-CD 3.15Å; P382-S384 PolarHBondContact O-N 2.76Å
383Y50.3Low55.8Low221 Ų221123.4 Ų123.487%0.86763%0.626SS**  trans-18.9110.2168.1-76.3-101.7000110.3R381 L385R381-Y383 PolarHBondContact O-N 3.22Å; Y383-L385 VanDerWaalsContact C-N 3.32Å; Y383-L385 PolarHBondContact O-N 3.27Å
384S47.8Very low54.3Low113 Ų113129.3 Ų129.379%0.7965%0.654SS**  trans-50.6109.7162.746.30000104.8P382 P386P382-S384 PolarHBondContact O-N 2.76Å; S384-P386 VanDerWaalsContact O-N 3.12Å
385L53.3Low52.1Low129 Ų129132.6 Ų132.668%0.67568%0.676SS**  trans-46.7127.1-176.1-75.5165.5000106.3Y383Y383-L385 VanDerWaalsContact C-N 3.32Å; Y383-L385 PolarHBondContact O-N 3.27Å
386P46.3Very low50.5Low96 Ų96135.2 Ų135.262%0.62370%0.696SS**  trans-52135.3-176.723.5-33.5000106.7S384 F388S384-P386 VanDerWaalsContact O-N 3.12Å; P386-F388 PolarHBondContact O-N 3.32Å
387P44.5Very low48.8Very low121 Ų121138.6 Ų138.679%0.78672%0.716SS**  trans-54.1114-175.322.9-32.8000106.7P389P387-P389 WeakPolarHBondContact O-CD 3.38Å
388F48.3Very low47.5Very low162 Ų162141.2 Ų141.271%0.71174%0.738SS**  trans-53.3120178-69.8-82.8000105.6P386 I390P386-F388 PolarHBondContact O-N 3.32Å; F388-I390 PolarHBondContact O-N 3.31Å
389P45.3Very low46.6Very low112 Ų112146.8 Ų146.873%0.72775%0.754SS**  trans-58.7117.9175.823.9-31.5000105.5P387 R391P387-P389 WeakPolarHBondContact O-CD 3.38Å; P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.96Å
390I49.6Very low45.6Very low152 Ų152144.9 Ų144.978%0.77976%0.757SS**  trans-59.2100.8173.5-60.7175.4000104.2F388 D392F388-I390 PolarHBondContact O-N 3.31Å; I390-D392 PolarHBondContact O-N 2.95Å; I390-D392 VanDerWaalsContact O-N 3.12Å
391R40Very low44.8Very low230 Ų230147.7 Ų147.787%0.86877%0.772SS**  trans-67.8114.7173.2-89.8-171.5172.2-100.11.6105.8P389 I393P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.96Å; R391-I393 PolarHBondContact O-N 3.46Å
392D35.9Very low44Very low134 Ų134147.4 Ų147.472%0.71778%0.777SS**  trans-50.1128.8-179.1-65.8-61.5000110.6I390 I394I390-D392 PolarHBondContact O-N 2.95Å; I390-D392 VanDerWaalsContact O-N 3.12Å; D392-I394 PolarHBondContact O-N 3.17Å
393I48.3Very low43.9Very low160 Ų160147.7 Ų147.782%0.82178%0.778SS**SBendtrans-61.2133.1163.8-57.6168.2000105.2R391R391-I393 PolarHBondContact O-N 3.46Å
394I48.2Very low43.8Very low156 Ų156142.5 Ų142.580%0.877%0.772SS**  trans89.377.7-171.1-45152.9000114D392D392-I394 PolarHBondContact O-N 3.17Å
395T34.3Very low43.6Very low121 Ų121145.2 Ų145.274%0.74278%0.776SS**  trans-148.4115.2135.7-21.50000110.5V397T395-V397 PolarHBondContact O-N 3.48Å
396T45.9Very low43.4Very low143 Ų143145.2 Ų145.288%0.87778%0.784SS**  trans-81.9107.6177.346.30000110.5
397V40.5Very low43.4Very low123 Ų123143.6 Ų143.675%0.74579%0.785SS**  trans-131.9134171.1-178.20000107.6T395T395-V397 PolarHBondContact O-N 3.48Å
398P36.9Very low43.8Very low115 Ų115145.3 Ų145.375%0.74779%0.786SS**PPolyproline II helixtrans-79.6151.2-153.729.9-36.5000114.5P400P398-P400 WeakPolarHBondContact O-CD 3.37Å
399R45.4Very low44.2Very low232 Ų232144.8 Ų144.888%0.87579%0.789SS**PPolyproline II helixtrans-68.9126.3165.7-74.3-177.5170.5-157.6-2.2110.1
400P39.2Very low44.3Very low127 Ų127142.4 Ų142.483%0.82579%0.785SS**PPolyproline II helixtrans-72.9141.8157.630.9-31.3000110P398P398-P400 WeakPolarHBondContact O-CD 3.37Å
401L41Very low44.9Very low149 Ų149137 Ų13778%0.7877%0.767SS**  trans-94.9115.1-175.5-76.3151.3000111.2
402F34.7Very low45.5Very low187 Ų187132.3 Ų132.382%0.8276%0.759SS**  trans59.6171.8157.1-68.7-82.2000117.6
403P46.3Very low46.3Very low118 Ų118133.8 Ų133.877%0.76676%0.756SS**  cis-113.9178.8-4.641.5-28000113.8
404P48.2Very low46.6Very low112 Ų112131.2 Ų131.273%0.72774%0.743SS**  trans-90.8153.1-172.235.6-33.9000113.9
405L44Very low46.9Very low170 Ų170131 Ų13189%0.8974%0.739SS**  trans-117.5137.1163.1-80.5170000110.1
406P48.6Very low47.7Very low130 Ų130135 Ų13584%0.84474%0.74SS**  trans-83.4127.9-169.632.5-34.2000111.9
407G46.4Very low48Very low62 Ų62133.7 Ų133.764%0.63973%0.734SS**  trans-157.9113.5172.300000110.2I409G407-I409 PolarHBondContact O-N 3.12Å; G407-I409 VanDerWaalsContact O-N 3.1Å
408I52.9Low48.4Very low157 Ų157134.8 Ų134.881%0.80574%0.736SS**  trans-72.7101177.2-62.4167.8000107.8G410I408-G410 PolarHBondContact O-N 3.37Å
409I57.1Low48.8Very low150 Ų150135.6 Ų135.677%0.76973%0.734SS**  trans-85.172.3172.5-55.4175.2000107.2G407G407-I409 PolarHBondContact O-N 3.12Å; G407-I409 VanDerWaalsContact O-N 3.1Å
410G46Very low48.6Very low62 Ų62130 Ų13064%0.63973%0.727SS**  trans-57.6137.7-166.200000114.5I408I408-G410 PolarHBondContact O-N 3.37Å
411G63Low49.2Very low39 Ų39132.7 Ų132.740%0.40272%0.721SS.*SBendtrans161-173.417500000111.1Y413 D414G411-Y413 PolarHBondContact O-N 3.1Å; G411-D414 PolarHBondContact O-N 2.94Å
412D53Low49.4Very low131 Ų131133 Ų13370%0.70172%0.723SS**THydrogen-bonded Turntrans-60.2-3.1-178.8-54.2-13.1000114.7
413Y52.2Low49.6Very low166 Ų166132 Ų13265%0.65173%0.725SS**THydrogen-bonded Turntrans-69.7-32.1176.3-64.2-85.1000112.9G411 Q415G411-Y413 PolarHBondContact O-N 3.1Å; Y413-Q415 PolarHBondContact O-N 2.84Å
414D55.5Low49.4Very low105 Ų105134.7 Ų134.756%0.56173%0.733SS**THydrogen-bonded Turntrans-82.9-10.3-174.4-67.8-27.4000113.9G411 R416G411-D414 PolarHBondContact O-N 2.94Å; D414-R416 PolarHBondContact O-N 3.33Å
415Q53.8Low49Very low153 Ų153140.9 Ų140.972%0.71574%0.741SS**THydrogen-bonded Turntrans-77.7-21.3-170.4-69.5-171.4-11.300114.9Y413Y413-Q415 PolarHBondContact O-N 2.84Å
416R51.5Low48.7Very low204 Ų204138.4 Ų138.477%0.7774%0.736SS**  trans-152.593.2-178.8-62.8-171.4-174.5-163.8-1.2112.6D414 N418D414-R416 PolarHBondContact O-N 3.33Å; R416-N418 PolarHBondContact O-N 3Å
417P51.2Low48.5Very low115 Ų115143.4 Ų143.475%0.74774%0.738SS**SBendtrans-76.8-15.1-176.728.5-34.5000115.2
418N48.7Very low48Very low147 Ų147149.3 Ų149.379%0.78675%0.748SS**SBendtrans-117.442.4-163-63.2-18.9000114.9R416R416-N418 PolarHBondContact O-N 3Å
419L46.5Very low47.2Very low132 Ų132149.7 Ų149.769%0.69175%0.752SS**  trans-141.9128.4175.5-151.977000113.1R421L419-R421 PolarHBondContact O-N 3.28Å
420P41.8Very low46.5Very low113 Ų113147.5 Ų147.573%0.73475%0.747SS**  trans-70.7120.2179.227.8-33.8000111.6N422P420-N422 PolarHBondContact O-N 2.83Å
421R50.8Low46.3Very low184 Ų184153 Ų15369%0.69476%0.76SS**  trans-76.834.5-174.1-69.5-174171.7-169.1-1.8115.3L419L419-R421 PolarHBondContact O-N 3.28Å
422N45.1Very low44.8Very low155 Ų155154.3 Ų154.383%0.82977%0.774SS**  trans-109.342.6-178.3-84.76.5000113.8P420P420-N422 PolarHBondContact O-N 2.83Å
423L39.8Very low43.8Very low166 Ų166153.8 Ų153.887%0.86978%0.777SS**SBendtrans-130.3128.8166.9-72175.9000111.1R425L423-R425 PolarHBondContact O-N 3.36Å
424L42.2Very low43.3Very low176 Ų176154.3 Ų154.392%0.92179%0.79SS**PPolyproline II helixtrans-58.5123177.3-67.9154.5000109.9P426L424-P426 WeakPolarHBondContact O-CD 3.45Å
425R39.8Very low42.1Very low242 Ų242154.4 Ų154.491%0.91380%0.795SS**PPolyproline II helixtrans-79.5120170.7-120.2-176.9177.3-178.8-3.2109.4L423 R427L423-R425 PolarHBondContact O-N 3.36Å; R425-R427 PolarHBondContact O-N 3.24Å
426P36.7Very low41.2Very low118 Ų118153.8 Ų153.877%0.76680%0.797SS**PPolyproline II helixtrans-64.8125.3165.3-14.229.6000108.4L424 H428L424-P426 WeakPolarHBondContact O-CD 3.45Å; P426-H428 PolarHBondContact O-N 3.33Å
427R45.4Very low40.3Very low235 Ų235150 Ų15089%0.88779%0.79SS**SBendtrans-73.7105.5159.5-86.4-179.1168157.8-3.5106.9R425R425-R427 PolarHBondContact O-N 3.24Å
428H35Very low39.5Very low185 Ų185149.9 Ų149.986%0.85679%0.792SS**  trans173.2102.7145.9-84.7115.6000107.1P426P426-H428 PolarHBondContact O-N 3.33Å
429D35.9Very low38.6Very low166 Ų166147.6 Ų147.689%0.88879%0.787SS**  trans-99.9116.5162.9-103.9-33.7000107.4
430P43Very low38.2Very low103 Ų103152.9 Ų152.967%0.66980%0.798SS**  trans-80.6145.8164.333.4-30000109.3
431I42.2Very low37.5Very low178 Ų178156.3 Ų156.391%0.91380%0.804SS**  trans82.787.1-179.9-46.4158.4000113.7
432G30.5Very low36.8Very low67 Ų67153.5 Ų153.569%0.69181%0.81SS**  trans-168.9140.7168.200000109.4
433P32.1Very low36.3Very low119 Ų119149.8 Ų149.877%0.77381%0.808SS**  trans-77.2154.6-158.529.4-35.8000114.9V435P433-V435 PolarHBondContact O-N 3.26Å
434L41.3Very low35.7Very low177 Ų177153.2 Ų153.293%0.92781%0.809SS**  trans-58.3114.4171.8-174.678.9000110.6
435V31.7Very low35.2Very low108 Ų108150.3 Ų150.366%0.65580%0.801SS**  trans-117.5108.4168.7-173.40000108.8P433 I437P433-V435 PolarHBondContact O-N 3.26Å; V435-I437 HydrophobicContact CG1-CD1 4.1Å; V435-I437 HydrophobicContact CG1-CG1 3.77Å
436D34.7Very low34.7Very low140 Ų140150 Ų15075%0.74980%0.8SS**  trans-69.6123.9167.1-175.613.2000109
437I31.7Very low34.6Very low124 Ų124150.1 Ų150.164%0.63679%0.793SS**  trans-12884.9173.7-53.7-175.1000108.9V435 S439V435-I437 HydrophobicContact CG1-CD1 4.1Å; V435-I437 HydrophobicContact CG1-CG1 3.77Å; I437-S439 VanDerWaalsContact C-N 3.27Å; I437-S439 PolarHBondContact O-N 3.03Å
438S34.6Very low34.1Very low112 Ų112144 Ų14478%0.78378%0.778SS**  trans-66.983.615533.80000109.9
439S30.4Very low34.4Very low99 Ų99138.6 Ų138.669%0.69275%0.752SS**  trans-114.6112.216770.70000112I437I437-S439 VanDerWaalsContact C-N 3.27Å; I437-S439 PolarHBondContact O-N 3.03Å
440R36.4Very low34.9Very low243 Ų243138.3 Ų138.392%0.91774%0.739SS**  trans-93.2100.8-174.4-177.4-176.6-174.1-178.62.4109.3
441H28.7Very low34.9Very low185 Ų185142.5 Ų142.586%0.85674%0.741SS**  trans-115.2124.2166.2-96.7-20.8000111.1
442P36.6Very low34.9Very low126 Ų126135.5 Ų135.582%0.81871%0.707SS**  trans-78.4144.3177.632.9-33.2000110.6
443G32.7Very low35.7Very low76 Ų76135 Ų13578%0.78470%0.702SS**SBendtrans117.51116400000118.3
444R28.1Very low36Very low239 Ų239132 Ų13290%0.90269%0.693SS**  trans-133.9112.2165.2-69.9-167.5-179.5-142.1-0112R446R444-R446 PolarHBondContact O-N 2.93Å
445P31.5Very low36Very low114 Ų114133 Ų13374%0.7468%0.684SS**  trans-68.1120.817027.9-31.6000109.2L447P445-L447 VanDerWaalsContact C-N 3.28Å; P445-L447 PolarHBondContact O-N 2.84Å
446R29.2Very low36.4Very low237 Ų237133.5 Ų133.589%0.89469%0.692SS**  trans-7187168.3-119.2-178.1176.3157.7-2108.2R444 D448R444-R446 PolarHBondContact O-N 2.93Å; R446-D448 PolarHBondContact O-N 2.8Å; R446-D448 VanDerWaalsContact O-N 3.1Å
447L35.6Very low36.9Very low119 Ų119130.4 Ų130.462%0.62369%0.687SS**  trans-7592.9167.1-80.9156.6000108.6P445 F449P445-L447 VanDerWaalsContact C-N 3.28Å; P445-L447 PolarHBondContact O-N 2.84Å; L447-F449 HydrophobicContact CB-CD2 3.69Å; L447-F449 HydrophobicContact CB-CE2 3.38Å; L447-F449 HydrophobicContact CB-CZ 4.07Å; L447-F449 HydrophobicContact CD1-CE2 3.78Å; L447-F449 HydrophobicContact CD1-CZ 4.01Å; L447-F449 HydrophobicContact CD2-CE2 4.14Å; L447-F449 HydrophobicContact CD2-CZ 3.94Å; L447-F449 HydrophobicContact CG-CE2 3.96Å; L447-F449 HydrophobicContact CG-CZ 4.23Å; L447-F449 PolarHBondContact O-N 3.12Å
448D34.4Very low37.3Very low107 Ų107132.3 Ų132.357%0.57270%0.698SS**  trans-67.477.2168.3-108.428000109R446 R450R446-D448 PolarHBondContact O-N 2.8Å; R446-D448 VanDerWaalsContact O-N 3.1Å; D448-R450 PolarHBondContact O-N 3.27Å; D448-R450 IonicContact OD2-CZ 2.67Å; D448-R450 IonicContact OD2-NE 3.74Å; D448-R450 PolarHBondContact OD2-NE 2.94Å; D448-R450 IonicContact OD2-NH2 2.66Å; D448-R450 PolarHBondContact OD2-NH2 3.34Å
449F41.2Very low37.8Very low72 Ų72133.1 Ų133.132%0.31669%0.692SS.*  trans-69.870.4173.4-77.3-71000111.4V376 I380 L447V376-F449 HydrophobicContact CB-CE1 4.37Å; V376-F449 HydrophobicContact CB-CZ 4.46Å; V376-F449 HydrophobicContact CG1-CE1 3.62Å; V376-F449 HydrophobicContact CG1-CE2 4.05Å; V376-F449 HydrophobicContact CG1-CZ 3.31Å; I380-F449 HydrophobicContact CD1-CD2 3.51Å; I380-F449 HydrophobicContact CD1-CE2 3.21Å; I380-F449 HydrophobicContact CD1-CG 4.33Å; I380-F449 HydrophobicContact CD1-CZ 3.86Å; L447-F449 HydrophobicContact CB-CD2 3.69Å; L447-F449 HydrophobicContact CB-CE2 3.38Å; L447-F449 HydrophobicContact CB-CZ 4.07Å; L447-F449 HydrophobicContact CD1-CE2 3.78Å; L447-F449 HydrophobicContact CD1-CZ 4.01Å; L447-F449 HydrophobicContact CD2-CE2 4.14Å; L447-F449 HydrophobicContact CD2-CZ 3.94Å; L447-F449 HydrophobicContact CG-CE2 3.96Å; L447-F449 HydrophobicContact CG-CZ 4.23Å; L447-F449 PolarHBondContact O-N 3.12Å
450R45.4Very low38.2Very low159 Ų159139.9 Ų139.960%0.670%0.703SS**  trans-80.5144.5165.6-61.5-175.1-172.1-147.6-0.2108.7D448D448-R450 PolarHBondContact O-N 3.27Å; D448-R450 IonicContact OD2-CZ 2.67Å; D448-R450 IonicContact OD2-NE 3.74Å; D448-R450 PolarHBondContact OD2-NE 2.94Å; D448-R450 IonicContact OD2-NH2 2.66Å; D448-R450 PolarHBondContact OD2-NH2 3.34Å
451R43.7Very low38.6Very low192 Ų192138.8 Ų138.873%0.72570%0.699SS**  trans-51.4127.8176.2-77.9-176.7173.9-174-0.8110.5G453 G454R451-G453 PolarHBondContact O-N 3.46Å; R451-G454 PolarHBondContact O-N 2.82Å
452P42.6Very low38.7Very low30 Ų30133.6 Ų133.620%0.19570%0.695CS.*THydrogen-bonded Turntrans-63.6110.316125-28.2000107.6Y370Y370-P452 HydrophobicContact CD2-CB 4.37Å; Y370-P452 HydrophobicContact CD2-CG 4.25Å; Y370-P452 HydrophobicContact CE2-CB 4.02Å; Y370-P452 HydrophobicContact CE2-CG 3.82Å
453G46.9Very low38.6Very low57 Ų57136 Ų13659%0.58869%0.693SS**THydrogen-bonded Turntrans107.85.4-169.600000115.9R451R451-G453 PolarHBondContact O-N 3.46Å
454G38Very low38.6Very low56 Ų56142.1 Ų142.158%0.57771%0.706SS**  trans-90.72.8-176.800000117.3R451R451-G454 PolarHBondContact O-N 2.82Å
455R41.5Very low39.1Very low198 Ų198137.3 Ų137.375%0.74770%0.696SS**  trans-125.4119178.3-98.9-176.3165.1175.6-4.8110.6A457R455-A457 PolarHBondContact O-N 3.42Å
456S40.3Very low39.6Very low118 Ų118138.5 Ų138.583%0.82569%0.693SS**  trans-56.4120.8143.542.90000107.2N458S456-N458 PolarHBondContact O-N 3.48Å
457A44.7Very low40.1Very low76 Ų76133.1 Ų133.163%0.62868%0.682SS**  trans-67.4130.9-178.700000109.6R455 I459R455-A457 PolarHBondContact O-N 3.42Å; A457-I459 HydrophobicContact CB-CG1 4.37Å; A457-I459 PolarHBondContact O-N 3.24Å
458N40.7Very low40.4Very low164 Ų164133.9 Ų133.988%0.87769%0.686SS**  trans-67.192.2158.7-91.3-24.1000107.2S456 R460S456-N458 PolarHBondContact O-N 3.48Å; N458-R460 VanDerWaalsContact C-N 3.34Å; N458-R460 PolarHBondContact O-N 3.45Å
459I46Very low40.8Very low129 Ų129135.6 Ų135.666%0.66269%0.693SS**  trans-68.293.9175.9-60.7165.4000107.2A457 R461A457-I459 HydrophobicContact CB-CG1 4.37Å; A457-I459 PolarHBondContact O-N 3.24Å; I459-R461 PolarHBondContact O-N 3.48Å
460R38.6Very low40.7Very low241 Ų241139.8 Ų139.891%0.90972%0.718SS**  trans-62.3117.9156.8-84.1-168.9171.5-167.8-2.3106.5N458 G462N458-R460 VanDerWaalsContact C-N 3.34Å; N458-R460 PolarHBondContact O-N 3.45Å; R460-G462 PolarHBondContact O-N 3.07Å
461R43.7Very low40.4Very low220 Ų220138.4 Ų138.483%0.8373%0.726SS**  trans-51.1126.2-176.8-69.3178.1173.3-169.1-2.7110.7I459 F463I459-R461 PolarHBondContact O-N 3.48Å; R461-F463 HydrophobicContact CB-CD2 4.4Å; R461-F463 HydrophobicContact CG-CE2 4.41Å
462G31.4Very low40.2Very low76 Ų76134.3 Ų134.378%0.78473%0.727SS**  trans-136.180.6162.200000107.2R460R460-G462 PolarHBondContact O-N 3.07Å
463F34.5Very low40Very low176 Ų176143 Ų14377%0.77277%0.771SS**  trans-76.7119.1172-85.7-92.1000108.9R461R461-F463 HydrophobicContact CB-CD2 4.4Å; R461-F463 HydrophobicContact CG-CE2 4.41Å
464I33.2Very low39.3Very low205 Ų205150.8 Ų150.8100%1.05179%0.788SS**  trans-144.10146.3-51.6-177000107.2R311R311-I464 PolarHBondContact NH1-O 3.1Å

Retrieved 464 of 464 residues in 304.8 ms (Link to these results)

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