A0A087YC29_POEFO Loading...

Ras association domain family member 8

AlphaFold DB , UniProt , Accession A0A087YC29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 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
1M82.8Confident88Confident134 Ų13479.4 Ų79.466%0.6642%0.415SS*.  0162.10-63.7177.5171.800108.8G16 V17 V60M1-G16 PolarHBondContact O-N 2.8Å; M1-V17 WeakPolarHBondContact CB-O 3.28Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 2.55Å; M1-V60 HydrophobicContact SD-CG1 3.74Å; M1-V60 HydrophobicContact SD-CG2 4.48Å
2E87.4Confident88.3Confident154 Ų15480.9 Ų80.972%0.7241%0.411SS*.EExtended strand (participates in β ladder)trans-109.4128.6174.9-68.2-178.7-178.500109.2V13E2-V13 HydrophobicContact CB-CG1 3.92Å; E2-V13 HydrophobicContact CG-CG1 4.31Å
3L88.3Confident88.5Confident8 Ų880.8 Ų80.84%0.04242%0.416CS..EExtended strand (participates in β ladder)trans-112.2124.8-178-164.273.2000110V5 V13 V14 V17 V26 P59 L63 L75L3-V5 HydrophobicContact CD2-CG2 3.94Å; L3-V5 HydrophobicContact CG-CG2 4.06Å; L3-V13 WeakPolarHBondContact O-CA 3.24Å; L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3.37Å; L3-V17 HydrophobicContact CB-CB 4.46Å; L3-V17 HydrophobicContact CB-CG2 3.94Å; L3-V17 HydrophobicContact CD2-CG1 4.46Å; L3-V26 HydrophobicContact CD2-CG1 4.09Å; L3-P59 HydrophobicContact CD2-CB 3.94Å; L3-P59 HydrophobicContact CD2-CG 3.95Å; L3-L63 HydrophobicContact CD1-CD1 3.51Å; L3-L75 HydrophobicContact CD1-CD1 3.5Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.62Å
4K91.8Very high88.5Confident131 Ų13176.6 Ų76.657%0.5740%0.396SS*.EExtended strand (participates in β ladder)trans-91.7117177.6-65.6179.8-178.51790109.6Q11 V13K4-Q11 HydrophobicContact CB-CG 4.37Å; K4-V13 HydrophobicContact CG-CG2 4.43Å
5V91.9Very high88.6Confident0 Ų078.3 Ų78.30%042%0.416CS..EExtended strand (participates in β ladder)trans-127.5131.7-178.6-173.30000110L3 R12 L30 L75 L77L3-V5 HydrophobicContact CD2-CG2 3.94Å; L3-V5 HydrophobicContact CG-CG2 4.06Å; V5-R12 PolarHBondContact N-O 3.33Å; V5-R12 PolarHBondContact O-N 3.13Å; V5-L30 HydrophobicContact CB-CD1 3.95Å; V5-L30 HydrophobicContact CG1-CD1 3.71Å; V5-L30 HydrophobicContact CG2-CD1 4.14Å; V5-L75 CarbonylContact C-O 3.53Å; V5-L75 WeakPolarHBondContact CA-O 3.2Å; V5-L75 HydrophobicContact CB-CB 4.5Å; V5-L75 HydrophobicContact CG1-CB 4.36Å; V5-L75 HydrophobicContact CG2-CB 4.11Å; V5-L75 HydrophobicContact CG2-CD1 4.37Å; V5-L77 HydrophobicContact CG1-CB 4.23Å
6W91.8Very high88.4Confident78 Ų7877.4 Ų77.430%0.29543%0.432SS..EExtended strand (participates in β ladder)trans-83.4126.8174.3-69.986.9000110.6G9 Q11 L75 I76 L77W6-G9 WeakPolarHBondContact CZ3-O 3.23Å; W6-Q11 HydrophobicContact CD2-CB 4.24Å; W6-Q11 HydrophobicContact CE3-CB 4.35Å; W6-Q11 HydrophobicContact CH2-CB 4.47Å; W6-Q11 HydrophobicContact CZ2-CB 4.35Å; W6-Q11 HydrophobicContact CZ3-CB 4.46Å; W6-L75 PolarHBondContact N-O 3.37Å; W6-I76 HydrophobicContact CB-CG1 4.18Å; W6-I76 HydrophobicContact CB-CG2 4.46Å; W6-L77 PolarHBondContact O-N 3.37Å
7V89.9Confident88.3Confident6 Ų673.2 Ų73.24%0.03641%0.408CS..EExtended strand (participates in β ladder)trans-129.9120.4179178.60000107.8G9 V10 R12 L30 I34 L77V7-G9 PolarHBondContact O-N 3.42Å; V7-G9 VanDerWaalsContact O-N 3.07Å; V7-V10 PolarHBondContact N-O 3.3Å; V7-V10 PolarHBondContact O-N 2.82Å; V7-R12 HydrophobicContact CG2-CG 4.48Å; V7-L30 HydrophobicContact CG2-CD2 4.36Å; V7-I34 HydrophobicContact CB-CD1 4.35Å; V7-I34 HydrophobicContact CG1-CD1 3.28Å; V7-I34 HydrophobicContact CG1-CG1 3.99Å; V7-I34 HydrophobicContact CG2-CD1 4.21Å; V7-L77 HydrophobicContact CG1-CD2 4.34Å; V7-L77 HydrophobicContact CG2-CB 4.01Å; V7-L77 HydrophobicContact CG2-CD2 4.05Å
8D83.6Confident88.3Confident118 Ų11873.3 Ų73.363%0.63141%0.411SS*.THydrogen-bonded Turntrans48.837178.4-62.4-21.8000113.4R36D8-R36 IonicContact OD2-NH1 2.8Å; D8-R36 PolarHBondContact OD2-NH1 2.92Å
9G82.9Confident88.1Confident62 Ų6275.9 Ų75.964%0.63942%0.42SS*.THydrogen-bonded Turntrans82.62.1-178.900000115.7W6 V7W6-G9 WeakPolarHBondContact CZ3-O 3.23Å; V7-G9 PolarHBondContact O-N 3.42Å; V7-G9 VanDerWaalsContact O-N 3.07Å
10V87.7Confident88.1Confident88 Ų8876.3 Ų76.353%0.53343%0.433SS..EExtended strand (participates in β ladder)trans-113.3131.1177.3-176.20000110.5V7 R12V7-V10 PolarHBondContact N-O 3.3Å; V7-V10 PolarHBondContact O-N 2.82Å; V10-R12 PolarHBondContact O-N 2.83Å
11Q90.3Very high88.2Confident94 Ų9473.8 Ų73.844%0.43942%0.419SS..EExtended strand (participates in β ladder)trans-75.8123.1175.1-172.3171.659.200110.6K4 W6K4-Q11 HydrophobicContact CB-CG 4.37Å; W6-Q11 HydrophobicContact CD2-CB 4.24Å; W6-Q11 HydrophobicContact CE3-CB 4.35Å; W6-Q11 HydrophobicContact CH2-CB 4.47Å; W6-Q11 HydrophobicContact CZ2-CB 4.35Å; W6-Q11 HydrophobicContact CZ3-CB 4.46Å
12R91Very high88.7Confident98 Ų9869 Ų6937%0.3740%0.398SS..EExtended strand (participates in β ladder)trans-115148.3173.6-64.5-167.7176.1-152.3-0.4110.3V5 V7 V10 L30V5-R12 PolarHBondContact N-O 3.33Å; V5-R12 PolarHBondContact O-N 3.13Å; V7-R12 HydrophobicContact CG2-CG 4.48Å; V10-R12 PolarHBondContact O-N 2.83Å; R12-L30 HydrophobicContact CB-CD2 4.49Å
13V90.5Very high88.9Confident79 Ų7961.8 Ų61.848%0.47937%0.365SS..EExtended strand (participates in β ladder)trans-108.3124.4178.1-175.50000108.9E2 L3 K4E2-V13 HydrophobicContact CB-CG1 3.92Å; E2-V13 HydrophobicContact CG-CG1 4.31Å; L3-V13 WeakPolarHBondContact O-CA 3.24Å; K4-V13 HydrophobicContact CG-CG2 4.43Å
14V89.7Confident89Confident22 Ų2266.5 Ų66.513%0.13339%0.386CS..EExtended strand (participates in β ladder)trans-96.4116.1172.1-173.20000107.9L3 V17 V26 L30L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3.37Å; V14-V17 HydrophobicContact CB-CG2 3.97Å; V14-V17 HydrophobicContact CG1-CG2 3.62Å; V14-V26 HydrophobicContact CG2-CG1 4.38Å; V14-L30 HydrophobicContact CG2-CD1 4.14Å; V14-L30 HydrophobicContact CG2-CD2 3.52Å; V14-L30 HydrophobicContact CG2-CG 3.81Å
15C88.9Confident89Confident102 Ų10265.2 Ų65.269%0.68938%0.382SS*.EExtended strand (participates in β ladder)trans-89.8150.9175.957.40000111
16G85.6Confident89Confident65 Ų6565.5 Ų65.567%0.6738%0.384SS*.SBendtrans85.710.7175.800000115.7M1M1-G16 PolarHBondContact O-N 2.8Å
17V87.6Confident88.9Confident5 Ų562.5 Ų62.53%0.0337%0.374CS..  trans-72.1134178.5-172.10000110M1 L3 V14 T21 V26 V60M1-V17 WeakPolarHBondContact CB-O 3.28Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 2.55Å; L3-V17 HydrophobicContact CB-CB 4.46Å; L3-V17 HydrophobicContact CB-CG2 3.94Å; L3-V17 HydrophobicContact CD2-CG1 4.46Å; V14-V17 HydrophobicContact CB-CG2 3.97Å; V14-V17 HydrophobicContact CG1-CG2 3.62Å; V17-T21 WeakPolarHBondContact CG1-OG1 3.39Å; V17-V26 HydrophobicContact CG1-CG2 4.43Å; V17-V60 HydrophobicContact CG1-CG2 3.65Å
18T87.9Confident88.9Confident75 Ų7565.7 Ų65.746%0.4639%0.39SS..  trans-124.1167.9176.767.80000110.5A20 T21T18-A20 PolarHBondContact O-N 3.34Å; T18-A20 VanDerWaalsContact O-N 3.14Å; T18-T21 PolarHBondContact N-OG1 2.82Å; T18-T21 PolarHBondContact O-N 3.48Å; T18-T21 PolarHBondContact O-OG1 3.3Å
19E85.3Confident89.2Confident123 Ų12362.3 Ų62.358%0.57538%0.379SS*.THydrogen-bonded Turntrans-61.6-22.9179.9-64.2-178.9173.700113.7S58 V60E19-S58 WeakPolarHBondContact O-CB 3.41Å; E19-S58 PolarHBondContact O-OG 2.91Å; E19-V60 HydrophobicContact CG-CG1 4.05Å
20A86.6Confident89.6Confident84 Ų8459.8 Ų59.869%0.69435%0.35SS*.THydrogen-bonded Turntrans-83.5-15.6176.400000113.6T18 T22T18-A20 PolarHBondContact O-N 3.34Å; T18-A20 VanDerWaalsContact O-N 3.14Å; A20-T22 PolarHBondContact O-N 2.83Å
21T91.4Very high89.6Confident23 Ų2356 Ų5614%0.14133%0.328CS..  trans-68.8132.3179.555.70000110.7V17 T18 E25 S58 P59V17-T21 WeakPolarHBondContact CG1-OG1 3.39Å; T18-T21 PolarHBondContact N-OG1 2.82Å; T18-T21 PolarHBondContact O-N 3.48Å; T18-T21 PolarHBondContact O-OG1 3.3Å; T21-E25 WeakPolarHBondContact CA-OE2 3.48Å; T21-S58 WeakPolarHBondContact O-CA 3.28Å; T21-S58 WeakPolarHBondContact O-CB 3.3Å; T21-P59 VanDerWaalsContact O-CD 3.28Å; T21-P59 WeakPolarHBondContact O-CD 3.23Å
22T93Very high89.4Confident35 Ų3558 Ų5822%0.21534%0.338CS..  trans-88.4156.3-178.459.30000111.2A20 Q24 E25 V26A20-T22 PolarHBondContact O-N 2.83Å; T22-Q24 PolarHBondContact O-N 2.8Å; T22-E25 PolarHBondContact N-OE2 2.83Å; T22-E25 PolarHBondContact O-N 3.47Å; T22-E25 VanDerWaalsContact O-N 3.1Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-N 3.11Å; T22-V26 PolarHBondContact O-N 2.72Å
23C90.6Very high89.2Confident2 Ų256.8 Ų56.81%0.01435%0.349CS..Hα-helixtrans-56.4-35.3172.6-71.60000110.7V26 V27 L42 L53 E57C23-V26 PolarHBondContact O-N 3.16Å; C23-V27 VanDerWaalsContact O-CB 3.23Å; C23-V27 WeakPolarHBondContact O-CB 3.35Å; C23-V27 WeakPolarHBondContact O-CG2 3.45Å; C23-V27 PolarHBondContact O-N 3.28Å; C23-L42 HydrophobicContact CB-CB 4.49Å; C23-L53 VanDerWaalsContact SG-CD1 3.52Å; C23-E57 WeakPolarHBondContact CB-O 3.49Å; C23-E57 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact SG-O 3.44Å
24Q91.1Very high88.9Confident107 Ų10754.6 Ų54.650%0.533%0.334SS..Hα-helixtrans-57.7-48.6174.1179.6174-8.900112.8T22 V27 I28 P55T22-Q24 PolarHBondContact O-N 2.8Å; Q24-V27 PolarHBondContact O-N 2.91Å; Q24-I28 HydrophobicContact CG-CD1 3.72Å; Q24-I28 HydrophobicContact CG-CG1 4.49Å; Q24-I28 WeakPolarHBondContact O-CB 3.38Å; Q24-I28 WeakPolarHBondContact O-CD1 3.25Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.43Å; Q24-P55 HydrophobicContact CB-CB 4.18Å; Q24-P55 VanDerWaalsContact CB-O 3.3Å; Q24-P55 WeakPolarHBondContact CB-O 3.39Å; Q24-P55 PolarHBondContact N-O 2.78Å; Q24-P55 VanDerWaalsContact N-O 3.08Å
25E91.7Very high88.6Confident104 Ų10456.5 Ų56.549%0.48636%0.358SS..Hα-helixtrans-63.2-43.8179.7-73.2166.7-17900112T21 T22 I28 A29T21-E25 WeakPolarHBondContact CA-OE2 3.48Å; T22-E25 PolarHBondContact N-OE2 2.83Å; T22-E25 PolarHBondContact O-N 3.47Å; T22-E25 VanDerWaalsContact O-N 3.1Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-N 3.11Å; E25-I28 PolarHBondContact O-N 2.84Å; E25-A29 WeakPolarHBondContact O-CB 3.22Å; E25-A29 PolarHBondContact O-N 2.94Å
26V91.1Very high88.2Confident6 Ų656 Ų564%0.03634%0.342CS..Hα-helixtrans-64-43.5177.6175.10000111.1L3 V14 V17 T22 C23 A29 L30 L42 P59L3-V26 HydrophobicContact CD2-CG1 4.09Å; V14-V26 HydrophobicContact CG2-CG1 4.38Å; V17-V26 HydrophobicContact CG1-CG2 4.43Å; T22-V26 PolarHBondContact O-N 2.72Å; C23-V26 PolarHBondContact O-N 3.16Å; V26-A29 PolarHBondContact O-N 3.45Å; V26-L30 HydrophobicContact CG1-CD1 4.02Å; V26-L30 WeakPolarHBondContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.29Å; V26-L30 PolarHBondContact O-N 2.67Å; V26-L42 HydrophobicContact CB-CD1 4.3Å; V26-L42 HydrophobicContact CG1-CD1 3.84Å; V26-P59 HydrophobicContact CG2-CG 3.98Å
27V91.3Very high87.9Confident14 Ų1456.7 Ų56.79%0.08533%0.333CS..Hα-helixtrans-60.9-45176162.80000111.3C23 Q24 L30 A31 Y40 L42 L77C23-V27 VanDerWaalsContact O-CB 3.23Å; C23-V27 WeakPolarHBondContact O-CB 3.35Å; C23-V27 WeakPolarHBondContact O-CG2 3.45Å; C23-V27 PolarHBondContact O-N 3.28Å; Q24-V27 PolarHBondContact O-N 2.91Å; V27-L30 PolarHBondContact O-N 3.47Å; V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.21Å; V27-A31 PolarHBondContact O-N 3.34Å; V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.32Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; V27-L42 HydrophobicContact CG2-CD1 4.08Å; V27-L42 HydrophobicContact CG2-CG 4.49Å; V27-L77 HydrophobicContact CB-CD1 4.29Å; V27-L77 HydrophobicContact CG1-CD1 4.2Å; V27-L77 HydrophobicContact CG2-CD1 3.73Å
28I89.6Confident87.6Confident74 Ų7458.1 Ų58.138%0.37935%0.349SS..Hα-helixtrans-63.9-46.6178.4-70.2165.9000110.3Q24 E25 L30 A31 Q32Q24-I28 HydrophobicContact CG-CD1 3.72Å; Q24-I28 HydrophobicContact CG-CG1 4.49Å; Q24-I28 WeakPolarHBondContact O-CB 3.38Å; Q24-I28 WeakPolarHBondContact O-CD1 3.25Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.43Å; E25-I28 PolarHBondContact O-N 2.84Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.03Å; I28-A31 PolarHBondContact O-N 2.76Å; I28-Q32 HydrophobicContact CG2-CG 4.27Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.46Å; I28-Q32 PolarHBondContact O-N 3.03Å
29A90.3Very high87.6Confident47 Ų4763 Ų6339%0.38836%0.359SS..Hα-helixtrans-60.4-44179.300000111.8E25 V26 A33E25-A29 WeakPolarHBondContact O-CB 3.22Å; E25-A29 PolarHBondContact O-N 2.94Å; V26-A29 PolarHBondContact O-N 3.45Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.36Å
30L90Very high87.8Confident8 Ų858.6 Ų58.64%0.04234%0.338CS..Hα-helixtrans-64-49.4175.3-75.5170.9000111.5V5 V7 R12 V14 V26 V27 I28 Q32 A33 I34 L77V5-L30 HydrophobicContact CB-CD1 3.95Å; V5-L30 HydrophobicContact CG1-CD1 3.71Å; V5-L30 HydrophobicContact CG2-CD1 4.14Å; V7-L30 HydrophobicContact CG2-CD2 4.36Å; R12-L30 HydrophobicContact CB-CD2 4.49Å; V14-L30 HydrophobicContact CG2-CD1 4.14Å; V14-L30 HydrophobicContact CG2-CD2 3.52Å; V14-L30 HydrophobicContact CG2-CG 3.81Å; V26-L30 HydrophobicContact CG1-CD1 4.02Å; V26-L30 WeakPolarHBondContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.29Å; V26-L30 PolarHBondContact O-N 2.67Å; V27-L30 PolarHBondContact O-N 3.47Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.03Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.85Å; L30-A33 PolarHBondContact O-N 2.76Å; L30-A33 VanDerWaalsContact O-N 3.14Å; L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.38Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.88Å; L30-L77 HydrophobicContact CB-CD2 3.97Å; L30-L77 HydrophobicContact CD1-CD1 4.44Å; L30-L77 HydrophobicContact CD1-CD2 4.42Å
31A88.4Confident88Confident8 Ų856.5 Ų56.57%0.06632%0.316CS..Hα-helixtrans-58.4-41.2179.100000112.3V27 I28 I34 G35 R36 Y40V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.21Å; V27-A31 PolarHBondContact O-N 3.34Å; I28-A31 PolarHBondContact O-N 2.76Å; A31-I34 PolarHBondContact O-N 3.41Å; A31-G35 PolarHBondContact O-N 3.47Å; A31-G35 VanDerWaalsContact O-N 3.12Å; A31-R36 PolarHBondContact O-N 3.32Å; A31-Y40 HydrophobicContact CB-CD2 3.77Å; A31-Y40 HydrophobicContact CB-CE2 3.54Å
32Q87.1Confident87.9Confident136 Ų13655.5 Ų55.564%0.63631%0.31SS*.Hα-helixtrans-64.9-44174.8-74.1176.5-4.700111.8I28 L30 I34 G35I28-Q32 HydrophobicContact CG2-CG 4.27Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.46Å; I28-Q32 PolarHBondContact O-N 3.03Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.85Å; Q32-I34 VanDerWaalsContact C-N 3.27Å; Q32-I34 PolarHBondContact O-N 3.17Å; Q32-G35 PolarHBondContact O-N 2.81Å
33A86.8Confident87.9Confident74 Ų7454.1 Ų54.161%0.61230%0.301SS*.Hα-helixtrans-67.6-25177.600000113.6A29 L30 G35A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.36Å; L30-A33 PolarHBondContact O-N 2.76Å; L30-A33 VanDerWaalsContact O-N 3.14Å; A33-G35 VanDerWaalsContact C-N 3.35Å
34I84.2Confident87.9Confident33 Ų3354.1 Ų54.117%0.16930%0.301CS..Hα-helixtrans-84.2-15.5174.3-58.2151.9000110.9V7 L30 A31 Q32 R36 L77V7-I34 HydrophobicContact CB-CD1 4.35Å; V7-I34 HydrophobicContact CG1-CD1 3.28Å; V7-I34 HydrophobicContact CG1-CG1 3.99Å; V7-I34 HydrophobicContact CG2-CD1 4.21Å; L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.38Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.88Å; A31-I34 PolarHBondContact O-N 3.41Å; Q32-I34 VanDerWaalsContact C-N 3.27Å; Q32-I34 PolarHBondContact O-N 3.17Å; I34-R36 HydrophobicContact CG2-CB 4.13Å; I34-R36 HydrophobicContact CG2-CG 4.04Å; I34-R36 PolarHBondContact O-N 2.79Å; I34-L77 HydrophobicContact CD1-CD2 3.85Å
35G82.1Confident87.8Confident62 Ų6252.3 Ų52.364%0.63929%0.292SS*.THydrogen-bonded Turntrans71.511.5-175.200000113.8A31 Q32 A33A31-G35 PolarHBondContact O-N 3.47Å; A31-G35 VanDerWaalsContact O-N 3.12Å; Q32-G35 PolarHBondContact O-N 2.81Å; A33-G35 VanDerWaalsContact C-N 3.35Å
36R81.3Confident87.6Confident92 Ų9250 Ų5035%0.34728%0.278SS..  trans-113.3103.2-179.4-71.6-179.1163.6159.31.5109.6D8 A31 I34 Y40 E86D8-R36 IonicContact OD2-NH1 2.8Å; D8-R36 PolarHBondContact OD2-NH1 2.92Å; A31-R36 PolarHBondContact O-N 3.32Å; I34-R36 HydrophobicContact CG2-CB 4.13Å; I34-R36 HydrophobicContact CG2-CG 4.04Å; I34-R36 PolarHBondContact O-N 2.79Å; R36-Y40 VanDerWaalsContact CB-OH 3.22Å; R36-Y40 WeakPolarHBondContact CB-OH 3.45Å; R36-Y40 VanDerWaalsContact O-CE2 3.26Å; R36-Y40 WeakPolarHBondContact O-CE2 3.4Å; R36-Y40 PolarHBondContact O-OH 3.25Å; R36-E86 IonicContact CZ-OE1 2.81Å; R36-E86 IonicContact NE-OE1 3Å; R36-E86 PolarHBondContact NE-OE1 3.4Å; R36-E86 IonicContact NE-OE2 3.76Å; R36-E86 IonicContact NH2-OE1 3.89Å; R36-E86 PolarHBondContact NH2-OE1 3.04Å
37T78.3Confident87.3Confident78 Ų7858 Ų5848%0.47931%0.308SS..  trans-86.3132177.554.20000110.8S83T37-S83 WeakPolarHBondContact O-CA 3.36Å; T37-S83 WeakPolarHBondContact O-CB 3.45Å
38G82.4Confident86.7Confident36 Ų3665 Ų6537%0.37135%0.345SS..SBendtrans-177.2-179.2-174.300000112.2Y40G38-Y40 VanDerWaalsContact O-CD2 3.24Å; G38-Y40 WeakPolarHBondContact O-CD2 3.39Å
39R86.4Confident86.4Confident176 Ų17665.2 Ų65.266%0.66435%0.35SS*.  trans-85.1116.8171.6-65.9-177.3-178.2-179.21108.8T80 G81R39-T80 PolarHBondContact O-N 3.21Å; R39-G81 PolarHBondContact O-N 3.13Å
40Y89.5Confident86.4Confident32 Ų3268.2 Ų68.213%0.12536%0.356CS..EExtended strand (participates in β ladder)trans-124.7151179.4-64-85.4000109.8V27 A31 R36 G38 L77 H78 R79V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.32Å; A31-Y40 HydrophobicContact CB-CD2 3.77Å; A31-Y40 HydrophobicContact CB-CE2 3.54Å; R36-Y40 VanDerWaalsContact CB-OH 3.22Å; R36-Y40 WeakPolarHBondContact CB-OH 3.45Å; R36-Y40 VanDerWaalsContact O-CE2 3.26Å; R36-Y40 WeakPolarHBondContact O-CE2 3.4Å; R36-Y40 PolarHBondContact O-OH 3.25Å; G38-Y40 VanDerWaalsContact O-CD2 3.24Å; G38-Y40 WeakPolarHBondContact O-CD2 3.39Å; Y40-L77 HydrophobicContact CD1-CD1 4.4Å; Y40-L77 HydrophobicContact CD1-CD2 4.07Å; Y40-L77 HydrophobicContact CD1-CG 3.96Å; Y40-L77 HydrophobicContact CE1-CD2 4.39Å; Y40-L77 HydrophobicContact CG-CD1 4.39Å; Y40-L77 HydrophobicContact CG-CG 4.43Å; Y40-H78 CarbonylContact C-O 3.6Å; Y40-H78 VanDerWaalsContact CA-O 3.28Å; Y40-H78 WeakPolarHBondContact CA-O 3.19Å; Y40-R79 HydrophobicContact CD1-CB 3.82Å; Y40-R79 HydrophobicContact CD1-CG 4.11Å; Y40-R79 HydrophobicContact CE1-CB 3.77Å; Y40-R79 HydrophobicContact CE1-CG 3.82Å
41T90.6Very high86.4Confident39 Ų3972.4 Ų72.424%0.23937%0.371CS..EExtended strand (participates in β ladder)trans-132.7143.1174.554.40000108.8H78 T80T41-H78 PolarHBondContact N-O 2.8Å; T41-H78 PolarHBondContact O-N 3.41Å; T41-T80 WeakPolarHBondContact CG2-OG1 3.4Å; T41-T80 PolarHBondContact OG1-OG1 2.82Å
42L91.1Very high86.4Confident2 Ų277.6 Ų77.61%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-90.3129.3178.7-145.3148.3000108.5C23 V26 V27 L53 L75C23-L42 HydrophobicContact CB-CB 4.49Å; V26-L42 HydrophobicContact CB-CD1 4.3Å; V26-L42 HydrophobicContact CG1-CD1 3.84Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; V27-L42 HydrophobicContact CG2-CD1 4.08Å; V27-L42 HydrophobicContact CG2-CG 4.49Å; L42-L53 HydrophobicContact CD2-CD1 3.93Å; L42-L53 WeakPolarHBondContact O-CB 3.39Å; L42-L53 PolarHBondContact O-N 2.86Å; L42-L75 HydrophobicContact CD2-CB 3.85Å; L42-L75 HydrophobicContact CD2-CD1 4.19Å; L42-L75 HydrophobicContact CD2-CD2 3.41Å; L42-L75 VanDerWaalsContact CD2-CD2 3.41Å; L42-L75 HydrophobicContact CD2-CG 4Å
43V91.3Very high86.5Confident6 Ų671.4 Ų71.44%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-117.5129.5-176.2-176.40000109.1E50 R51 H52 L75 I76 H78V43-E50 HydrophobicContact CG1-CB 4.22Å; V43-R51 CarbonylContact C-O 3.57Å; V43-R51 WeakPolarHBondContact CA-O 3.4Å; V43-H52 WeakPolarHBondContact CG2-ND1 3.28Å; V43-L75 CarbonylContact O-C 3.54Å; V43-L75 WeakPolarHBondContact O-CA 3.46Å; V43-I76 PolarHBondContact N-O 2.88Å; V43-I76 PolarHBondContact O-N 3.38Å; V43-H78 HydrophobicContact CG2-CB 3.68Å
44E91.1Very high86.6Confident3 Ų369.1 Ų69.11%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-92116.3170.8-77.7177.3169.800109.3E50 R51 L53 S62 V73 L75E44-E50 WeakPolarHBondContact O-CA 3.27Å; E44-R51 HydrophobicContact CB-CB 4.47Å; E44-R51 PolarHBondContact N-O 3.08Å; E44-R51 PolarHBondContact O-N 2.87Å; E44-R51 IonicContact OE2-NH1 3.27Å; E44-L53 HydrophobicContact CG-CD1 3.9Å; E44-L53 HydrophobicContact CG-CD2 4.21Å; E44-L53 HydrophobicContact CG-CG 4.04Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.35Å; E44-S62 WeakPolarHBondContact OE1-CB 3.36Å; E44-V73 HydrophobicContact CB-CG1 4.16Å; E44-V73 HydrophobicContact CG-CG1 4.24Å; E44-L75 HydrophobicContact CB-CD2 4.45Å; E44-L75 HydrophobicContact CG-CD2 3.31Å
45K89.9Confident86.9Confident69 Ų6971.1 Ų71.130%0.336%0.361SS..EExtended strand (participates in β ladder)trans-108.6119.9175.1-176.4170.1-174.7141.50109.8E50 Q74 I76K45-E50 HydrophobicContact CB-CG 4.29Å; K45-E50 HydrophobicContact CD-CG 4.19Å; K45-E50 WeakPolarHBondContact CE-OE1 3.45Å; K45-E50 HydrophobicContact CG-CG 3.97Å; K45-E50 IonicContact NZ-OE1 3.76Å; K45-E50 PolarHBondContact NZ-OE1 3.49Å; K45-Q74 PolarHBondContact N-O 2.94Å; K45-Q74 PolarHBondContact O-N 3.33Å; K45-I76 HydrophobicContact CB-CD1 3.78Å; K45-I76 HydrophobicContact CD-CD1 3.77Å; K45-I76 HydrophobicContact CG-CD1 4.43Å
46W86.7Confident87.3Confident54 Ų5475.4 Ų75.421%0.20536%0.364CS..EExtended strand (participates in β ladder)trans-126.5114.4170.1-177.882.5000109D48 T49 W66 V73W46-D48 PolarHBondContact O-N 3.3Å; W46-D48 VanDerWaalsContact O-N 3.1Å; W46-T49 PolarHBondContact N-O 2.93Å; W46-T49 PolarHBondContact O-N 2.88Å; W46-W66 HydrophobicContact CB-CH2 4.41Å; W46-W66 HydrophobicContact CD2-CZ3 4.25Å; W46-W66 HydrophobicContact CE3-CZ3 4.37Å; W46-W66 HydrophobicContact CG-CZ3 4.36Å; W46-V73 HydrophobicContact CB-CG2 4.27Å; W46-V73 HydrophobicContact CG-CG2 4.38Å
47R84.1Confident87.7Confident174 Ų17473.5 Ų73.566%0.65736%0.359SS*.THydrogen-bonded Turntrans50.5-114.4-172.9-58.4-177.9176-176-1.4111.2
48D80.1Confident88.2Confident163 Ų16370.9 Ų70.987%0.87234%0.344SS*.THydrogen-bonded Turntrans-98.55.6179.6-56.7-46.1000113.3W46W46-D48 PolarHBondContact O-N 3.3Å; W46-D48 VanDerWaalsContact O-N 3.1Å
49T83Confident88.4Confident77 Ų7769.2 Ų69.247%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-103.4121.1179-51.60000110.2W46W46-T49 PolarHBondContact N-O 2.93Å; W46-T49 PolarHBondContact O-N 2.88Å
50E89.9Confident88.5Confident110 Ų11061.2 Ų61.251%0.51430%0.298SS..EExtended strand (participates in β ladder)trans-112.9125.6175.3-66.4-178.5177.700109.5V43 E44 K45V43-E50 HydrophobicContact CG1-CB 4.22Å; E44-E50 WeakPolarHBondContact O-CA 3.27Å; K45-E50 HydrophobicContact CB-CG 4.29Å; K45-E50 HydrophobicContact CD-CG 4.19Å; K45-E50 WeakPolarHBondContact CE-OE1 3.45Å; K45-E50 HydrophobicContact CG-CG 3.97Å; K45-E50 IonicContact NZ-OE1 3.76Å; K45-E50 PolarHBondContact NZ-OE1 3.49Å
51R89.7Confident88.4Confident97 Ų9761.9 Ų61.937%0.36631%0.309SS..EExtended strand (participates in β ladder)trans-121.8124.8178.3-177.9178.5176.6-113-9.2109.9V43 E44 E57V43-R51 CarbonylContact C-O 3.57Å; V43-R51 WeakPolarHBondContact CA-O 3.4Å; E44-R51 HydrophobicContact CB-CB 4.47Å; E44-R51 PolarHBondContact N-O 3.08Å; E44-R51 PolarHBondContact O-N 2.87Å; E44-R51 IonicContact OE2-NH1 3.27Å; R51-E57 IonicContact NH2-OE1 3.4Å; R51-E57 PolarHBondContact NH2-OE1 3.42Å; R51-E57 IonicContact NH2-OE2 2.6Å
52H88.6Confident88.2Confident116 Ų11660.4 Ų60.454%0.53730%0.301SS..EExtended strand (participates in β ladder)trans-79.9125.6172.7-65.2-89.5000110V43V43-H52 WeakPolarHBondContact CG2-ND1 3.28Å
53L88.9Confident88Confident7 Ų761.7 Ų61.74%0.03731%0.307CS..PPolyproline II helixtrans-82.3139.3173.5-63.4-178.5000110.8C23 L42 E44 E57 L75C23-L53 VanDerWaalsContact SG-CD1 3.52Å; L42-L53 HydrophobicContact CD2-CD1 3.93Å; L42-L53 WeakPolarHBondContact O-CB 3.39Å; L42-L53 PolarHBondContact O-N 2.86Å; E44-L53 HydrophobicContact CG-CD1 3.9Å; E44-L53 HydrophobicContact CG-CD2 4.21Å; E44-L53 HydrophobicContact CG-CG 4.04Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.35Å; L53-E57 WeakPolarHBondContact CA-OE2 3.36Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.42Å; L53-L75 HydrophobicContact CD1-CD2 4.43Å
54A89.4Confident87.8Confident26 Ų2665.8 Ų65.822%0.21533%0.329CS..PPolyproline II helixtrans-74.9151.9175.400000110.8H56 E57A54-H56 VanDerWaalsContact CB-CE1 3.41Å; A54-H56 WeakPolarHBondContact CB-CE1 3.43Å; A54-H56 PolarHBondContact O-N 3.29Å; A54-H56 VanDerWaalsContact O-N 3.08Å; A54-E57 HydrophobicContact CB-CG 4Å; A54-E57 PolarHBondContact N-OE2 3.38Å; A54-E57 PolarHBondContact O-N 2.98Å
55P89.8Confident87.5Confident74 Ų7470.7 Ų70.748%0.48136%0.36SS..THydrogen-bonded Turntrans-58.2-28.1-177-2634.7000114.7Q24Q24-P55 HydrophobicContact CB-CB 4.18Å; Q24-P55 VanDerWaalsContact CB-O 3.3Å; Q24-P55 WeakPolarHBondContact CB-O 3.39Å; Q24-P55 PolarHBondContact N-O 2.78Å; Q24-P55 VanDerWaalsContact N-O 3.08Å
56H90.3Very high87.2Confident152 Ų15271.1 Ų71.170%0.70436%0.359SS*.THydrogen-bonded Turntrans-92-7.2-178.256.8-90.5000113.9A54A54-H56 VanDerWaalsContact CB-CE1 3.41Å; A54-H56 WeakPolarHBondContact CB-CE1 3.43Å; A54-H56 PolarHBondContact O-N 3.29Å; A54-H56 VanDerWaalsContact O-N 3.08Å
57E91.1Very high87.1Confident52 Ų5270.8 Ų70.824%0.24337%0.373CS..SBendtrans-77.4151.8173.8-70175.6150.900109.7C23 R51 L53 A54C23-E57 WeakPolarHBondContact CB-O 3.49Å; C23-E57 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact SG-O 3.44Å; R51-E57 IonicContact NH2-OE1 3.4Å; R51-E57 PolarHBondContact NH2-OE1 3.42Å; R51-E57 IonicContact NH2-OE2 2.6Å; L53-E57 WeakPolarHBondContact CA-OE2 3.36Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.42Å; A54-E57 HydrophobicContact CB-CG 4Å; A54-E57 PolarHBondContact N-OE2 3.38Å; A54-E57 PolarHBondContact O-N 2.98Å
58S89Confident87Confident24 Ų2471.4 Ų71.417%0.16838%0.383CS..  trans-93.7135.417262.40000110.7E19 T21 V60 A61 S62E19-S58 WeakPolarHBondContact O-CB 3.41Å; E19-S58 PolarHBondContact O-OG 2.91Å; T21-S58 WeakPolarHBondContact O-CA 3.28Å; T21-S58 WeakPolarHBondContact O-CB 3.3Å; S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3.39Å; S58-A61 PolarHBondContact O-N 3.34Å; S58-A61 WeakPolarHBondContact OG-CB 3.35Å; S58-A61 PolarHBondContact OG-N 2.87Å; S58-S62 WeakPolarHBondContact O-CB 3.24Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.44Å
59P86.4Confident87.2Confident0 Ų069.8 Ų69.80%037%0.366CS..Hα-helixtrans-69.8-30-177.226.9-31000111.2L3 T21 V26 L63 L75L3-P59 HydrophobicContact CD2-CB 3.94Å; L3-P59 HydrophobicContact CD2-CG 3.95Å; T21-P59 VanDerWaalsContact O-CD 3.28Å; T21-P59 WeakPolarHBondContact O-CD 3.23Å; V26-P59 HydrophobicContact CG2-CG 3.98Å; P59-L63 WeakPolarHBondContact O-CB 3.27Å; P59-L63 WeakPolarHBondContact O-CG 3.47Å; P59-L63 PolarHBondContact O-N 3.05Å; P59-L75 HydrophobicContact CB-CD1 4.47Å
60V87.8Confident87.1Confident9 Ų967.5 Ų67.56%0.05536%0.355CS..Hα-helixtrans-70.3-42.5175.7-178.30000111.1M1 V17 E19 S58 S62 L63 N64M1-V60 HydrophobicContact SD-CG1 3.74Å; M1-V60 HydrophobicContact SD-CG2 4.48Å; V17-V60 HydrophobicContact CG1-CG2 3.65Å; E19-V60 HydrophobicContact CG-CG1 4.05Å; S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3.39Å; V60-S62 VanDerWaalsContact C-N 3.3Å; V60-S62 PolarHBondContact O-N 3.22Å; V60-L63 PolarHBondContact O-N 2.89Å; V60-N64 WeakPolarHBondContact O-CB 3.43Å; V60-N64 PolarHBondContact O-N 2.95Å; V60-N64 PolarHBondContact O-ND2 2.86Å
61A86.9Confident86.7Confident45 Ų4565.9 Ų65.937%0.37237%0.367SS..Hα-helixtrans-65.3-38.4175.700000111.3S58 N64 T65S58-A61 PolarHBondContact O-N 3.34Å; S58-A61 WeakPolarHBondContact OG-CB 3.35Å; S58-A61 PolarHBondContact OG-N 2.87Å; A61-N64 WeakPolarHBondContact O-CB 3.34Å; A61-N64 PolarHBondContact O-N 2.8Å; A61-T65 VanDerWaalsContact O-CG2 3.31Å; A61-T65 WeakPolarHBondContact O-CG2 3.43Å; A61-T65 PolarHBondContact O-N 2.82Å
62S86.8Confident86.5Confident8 Ų866.3 Ų66.36%0.05638%0.377CS..Hα-helixtrans-65.9-43.3178.6-54.60000111.5E44 S58 V60 N64 T65 W66E44-S62 WeakPolarHBondContact OE1-CB 3.36Å; S58-S62 WeakPolarHBondContact O-CB 3.24Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.44Å; V60-S62 VanDerWaalsContact C-N 3.3Å; V60-S62 PolarHBondContact O-N 3.22Å; S62-N64 VanDerWaalsContact C-N 3.35Å; S62-N64 PolarHBondContact O-N 3.07Å; S62-T65 WeakPolarHBondContact O-CB 3.33Å; S62-T65 PolarHBondContact O-N 3.41Å; S62-T65 PolarHBondContact O-OG1 3.27Å; S62-W66 VanDerWaalsContact O-CD1 3.24Å
63L87.3Confident86.5Confident29 Ų2961.4 Ų61.415%0.15236%0.356CS..Hα-helixtrans-61.1-39.9169.1-73.8177000113L3 P59 V60 T65 W66 A70 V73 L75L3-L63 HydrophobicContact CD1-CD1 3.51Å; P59-L63 WeakPolarHBondContact O-CB 3.27Å; P59-L63 WeakPolarHBondContact O-CG 3.47Å; P59-L63 PolarHBondContact O-N 3.05Å; V60-L63 PolarHBondContact O-N 2.89Å; L63-T65 PolarHBondContact O-N 3.04Å; L63-W66 WeakPolarHBondContact O-CB 3.48Å; L63-W66 PolarHBondContact O-N 3.32Å; L63-W66 VanDerWaalsContact O-N 3.08Å; L63-A70 WeakPolarHBondContact O-CB 3.27Å; L63-V73 HydrophobicContact CD2-CB 3.84Å; L63-V73 HydrophobicContact CD2-CG1 3.8Å; L63-L75 HydrophobicContact CD1-CD1 3.87Å; L63-L75 HydrophobicContact CD2-CD1 4.5Å; L63-L75 HydrophobicContact CD2-CD2 4.36Å; L63-L75 HydrophobicContact CD2-CG 4.34Å; L63-L75 HydrophobicContact CG-CD1 4.28Å
64N86.4Confident86.6Confident93 Ų9365.3 Ų65.350%0.49737%0.373SS..Hα-helixtrans-64.7-26178.4-75.7-13.3000112.7V60 A61 S62 W66 G67V60-N64 WeakPolarHBondContact O-CB 3.43Å; V60-N64 PolarHBondContact O-N 2.95Å; V60-N64 PolarHBondContact O-ND2 2.86Å; A61-N64 WeakPolarHBondContact O-CB 3.34Å; A61-N64 PolarHBondContact O-N 2.8Å; S62-N64 VanDerWaalsContact C-N 3.35Å; S62-N64 PolarHBondContact O-N 3.07Å; N64-W66 PolarHBondContact O-N 3.2Å; N64-G67 PolarHBondContact O-N 2.81Å; N64-G67 VanDerWaalsContact O-N 3.1Å
65T86.5Confident86.7Confident106 Ų10664.1 Ų64.165%0.6536%0.364SS*.Hα-helixtrans-62.5-25.1173.769.40000113.1A61 S62 L63A61-T65 VanDerWaalsContact O-CG2 3.31Å; A61-T65 WeakPolarHBondContact O-CG2 3.43Å; A61-T65 PolarHBondContact O-N 2.82Å; S62-T65 WeakPolarHBondContact O-CB 3.33Å; S62-T65 PolarHBondContact O-N 3.41Å; S62-T65 PolarHBondContact O-OG1 3.27Å; L63-T65 PolarHBondContact O-N 3.04Å
66W82.4Confident86.8Confident77 Ų7762.8 Ų62.829%0.29235%0.352SS..THydrogen-bonded Turntrans-84.6-10.9177.2-63.298.4000113.6W46 S62 L63 N64 Q68 Y69 A70 V73W46-W66 HydrophobicContact CB-CH2 4.41Å; W46-W66 HydrophobicContact CD2-CZ3 4.25Å; W46-W66 HydrophobicContact CE3-CZ3 4.37Å; W46-W66 HydrophobicContact CG-CZ3 4.36Å; S62-W66 VanDerWaalsContact O-CD1 3.24Å; L63-W66 WeakPolarHBondContact O-CB 3.48Å; L63-W66 PolarHBondContact O-N 3.32Å; L63-W66 VanDerWaalsContact O-N 3.08Å; N64-W66 PolarHBondContact O-N 3.2Å; W66-Q68 PolarHBondContact O-N 3.19Å; W66-Q68 VanDerWaalsContact O-N 3.14Å; W66-Y69 PolarHBondContact O-N 3.01Å; W66-A70 HydrophobicContact CB-CB 4.49Å; W66-V73 HydrophobicContact CB-CG2 4.08Å; W66-V73 HydrophobicContact CD2-CG2 4.03Å; W66-V73 HydrophobicContact CG-CG2 3.73Å
67G84.7Confident86.9Confident48 Ų4856.1 Ų56.150%0.49532%0.321SS..G310 helixtrans54.1-115.217500000113.3N64 Y69 A70N64-G67 PolarHBondContact O-N 2.81Å; N64-G67 VanDerWaalsContact O-N 3.1Å; G67-Y69 PolarHBondContact O-N 3.35Å; G67-A70 VanDerWaalsContact O-CB 3.25Å; G67-A70 WeakPolarHBondContact O-CB 3.36Å; G67-A70 PolarHBondContact O-N 3.32Å
68Q82.8Confident86.8Confident187 Ų18758.2 Ų58.287%0.87433%0.331SS*.G310 helixtrans-65.1-23.6-178.4-65.2178.4-4.700113.5W66W66-Q68 PolarHBondContact O-N 3.19Å; W66-Q68 VanDerWaalsContact O-N 3.14Å
69Y82.9Confident86.6Confident128 Ų12861.1 Ų61.150%0.50234%0.338SS..G310 helixtrans-90.91.4179.8-57.1-71.4000113.2W66 G67 G71 D72W66-Y69 PolarHBondContact O-N 3.01Å; G67-Y69 PolarHBondContact O-N 3.35Å; Y69-G71 PolarHBondContact O-N 2.92Å; Y69-G71 VanDerWaalsContact O-N 3.1Å; Y69-D72 PolarHBondContact O-N 2.67Å
70A82.2Confident86.2Confident29 Ų2965.1 Ų65.124%0.2436%0.363CS..G310 helixtrans-57.9-26.7-179.800000113.1L63 W66 G67 D72L63-A70 WeakPolarHBondContact O-CB 3.27Å; W66-A70 HydrophobicContact CB-CB 4.49Å; G67-A70 VanDerWaalsContact O-CB 3.25Å; G67-A70 WeakPolarHBondContact O-CB 3.36Å; G67-A70 PolarHBondContact O-N 3.32Å; A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.35Å
71G80.8Confident85.3Confident76 Ų7665.3 Ų65.378%0.78437%0.367SS*.G310 helixtrans-69.3-23.8175.900000114.7Y69Y69-G71 PolarHBondContact O-N 2.92Å; Y69-G71 VanDerWaalsContact O-N 3.1Å
72D86.2Confident84Confident106 Ų10668.9 Ų68.957%0.56739%0.386SS*.G310 helixtrans-94.6-9.8-178.6-66.7-20.7000112.7Y69 A70Y69-D72 PolarHBondContact O-N 2.67Å; A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.35Å
73V88.9Confident82.4Confident14 Ų1469 Ų699%0.08539%0.387CS..PPolyproline II helixtrans-80.2128.8178.8-177.20000109.6E44 W46 L63 W66E44-V73 HydrophobicContact CB-CG1 4.16Å; E44-V73 HydrophobicContact CG-CG1 4.24Å; W46-V73 HydrophobicContact CB-CG2 4.27Å; W46-V73 HydrophobicContact CG-CG2 4.38Å; L63-V73 HydrophobicContact CD2-CB 3.84Å; L63-V73 HydrophobicContact CD2-CG1 3.8Å; W66-V73 HydrophobicContact CB-CG2 4.08Å; W66-V73 HydrophobicContact CD2-CG2 4.03Å; W66-V73 HydrophobicContact CG-CG2 3.73Å
74Q91.2Very high80.7Confident88 Ų8876.1 Ų76.141%0.41142%0.424SS..EExtended strand (participates in β ladder)trans-102.7124175.7-63.7-177.4-2.400110K45K45-Q74 PolarHBondContact N-O 2.94Å; K45-Q74 PolarHBondContact O-N 3.33Å
75L91.4Very high78.8Confident2 Ų276.7 Ų76.71%0.0143%0.431CS..EExtended strand (participates in β ladder)trans-86.8127.8169.8-66.5175.5000109.4L3 V5 W6 L42 V43 E44 L53 P59 L63L3-L75 HydrophobicContact CD1-CD1 3.5Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.62Å; V5-L75 CarbonylContact C-O 3.53Å; V5-L75 WeakPolarHBondContact CA-O 3.2Å; V5-L75 HydrophobicContact CB-CB 4.5Å; V5-L75 HydrophobicContact CG1-CB 4.36Å; V5-L75 HydrophobicContact CG2-CB 4.11Å; V5-L75 HydrophobicContact CG2-CD1 4.37Å; W6-L75 PolarHBondContact N-O 3.37Å; L42-L75 HydrophobicContact CD2-CB 3.85Å; L42-L75 HydrophobicContact CD2-CD1 4.19Å; L42-L75 HydrophobicContact CD2-CD2 3.41Å; L42-L75 VanDerWaalsContact CD2-CD2 3.41Å; L42-L75 HydrophobicContact CD2-CG 4Å; V43-L75 CarbonylContact O-C 3.54Å; V43-L75 WeakPolarHBondContact O-CA 3.46Å; E44-L75 HydrophobicContact CB-CD2 4.45Å; E44-L75 HydrophobicContact CG-CD2 3.31Å; L53-L75 HydrophobicContact CD1-CD2 4.43Å; P59-L75 HydrophobicContact CB-CD1 4.47Å; L63-L75 HydrophobicContact CD1-CD1 3.87Å; L63-L75 HydrophobicContact CD2-CD1 4.5Å; L63-L75 HydrophobicContact CD2-CD2 4.36Å; L63-L75 HydrophobicContact CD2-CG 4.34Å; L63-L75 HydrophobicContact CG-CD1 4.28Å
76I91.9Very high76.6Confident46 Ų4675 Ų7524%0.23642%0.416CS..EExtended strand (participates in β ladder)trans-124.9129-176.7-52.9173.6000108.5W6 V43 K45 H78W6-I76 HydrophobicContact CB-CG1 4.18Å; W6-I76 HydrophobicContact CB-CG2 4.46Å; V43-I76 PolarHBondContact N-O 2.88Å; V43-I76 PolarHBondContact O-N 3.38Å; K45-I76 HydrophobicContact CB-CD1 3.78Å; K45-I76 HydrophobicContact CD-CD1 3.77Å; K45-I76 HydrophobicContact CG-CD1 4.43Å; I76-H78 PolarHBondContact O-N 3.4Å
77L91.4Very high74.5Confident12 Ų1282.6 Ų82.66%0.06344%0.444CS..EExtended strand (participates in β ladder)trans-82.1104.6173.4-172.470.2000109.1V5 W6 V7 V27 L30 I34 Y40V5-L77 HydrophobicContact CG1-CB 4.23Å; W6-L77 PolarHBondContact O-N 3.37Å; V7-L77 HydrophobicContact CG1-CD2 4.34Å; V7-L77 HydrophobicContact CG2-CB 4.01Å; V7-L77 HydrophobicContact CG2-CD2 4.05Å; V27-L77 HydrophobicContact CB-CD1 4.29Å; V27-L77 HydrophobicContact CG1-CD1 4.2Å; V27-L77 HydrophobicContact CG2-CD1 3.73Å; L30-L77 HydrophobicContact CB-CD2 3.97Å; L30-L77 HydrophobicContact CD1-CD1 4.44Å; L30-L77 HydrophobicContact CD1-CD2 4.42Å; I34-L77 HydrophobicContact CD1-CD2 3.85Å; Y40-L77 HydrophobicContact CD1-CD1 4.4Å; Y40-L77 HydrophobicContact CD1-CD2 4.07Å; Y40-L77 HydrophobicContact CD1-CG 3.96Å; Y40-L77 HydrophobicContact CE1-CD2 4.39Å; Y40-L77 HydrophobicContact CG-CD1 4.39Å; Y40-L77 HydrophobicContact CG-CG 4.43Å
78H88.6Confident72.3Confident96 Ų9685.9 Ų85.944%0.44446%0.457SS..EExtended strand (participates in β ladder)trans-95.8135.5177.9-167.6-88.1000110.8Y40 T41 V43 I76Y40-H78 CarbonylContact C-O 3.6Å; Y40-H78 VanDerWaalsContact CA-O 3.28Å; Y40-H78 WeakPolarHBondContact CA-O 3.19Å; T41-H78 PolarHBondContact N-O 2.8Å; T41-H78 PolarHBondContact O-N 3.41Å; V43-H78 HydrophobicContact CG2-CB 3.68Å; I76-H78 PolarHBondContact O-N 3.4Å
79R85.7Confident70.2Confident85 Ų8582.5 Ų82.532%0.32145%0.451SS..EExtended strand (participates in β ladder)trans-93117.5177.5-175.5173.8160.7-178.4-8.7109.7Y40 G81 S83 E86Y40-R79 HydrophobicContact CD1-CB 3.82Å; Y40-R79 HydrophobicContact CD1-CG 4.11Å; Y40-R79 HydrophobicContact CE1-CB 3.77Å; Y40-R79 HydrophobicContact CE1-CG 3.82Å; R79-G81 PolarHBondContact NE-O 3.42Å; R79-S83 VanDerWaalsContact NH2-N 3.16Å; R79-S83 PolarHBondContact NH2-OG 2.9Å; R79-E86 IonicContact CZ-OE2 2.73Å; R79-E86 IonicContact NH1-OE2 3.78Å; R79-E86 PolarHBondContact NH1-OE2 3.2Å; R79-E86 IonicContact NH2-OE2 3.34Å
80T77.9Confident68.5Low84 Ų8481.9 Ų81.952%0.51547%0.466SS..  trans-110.8-1.4-170.2-32.20000112.4R39 T41R39-T80 PolarHBondContact O-N 3.21Å; T41-T80 WeakPolarHBondContact CG2-OG1 3.4Å; T41-T80 PolarHBondContact OG1-OG1 2.82Å
81G69.1Low66.5Low13 Ų1389.8 Ų89.813%0.13450%0.498CS..SBendtrans-151163.4174.500000114.9R39 R79R39-G81 PolarHBondContact O-N 3.13Å; R79-G81 PolarHBondContact NE-O 3.42Å
82P58.9Low64.6Low120 Ų12089.2 Ų89.278%0.77949%0.492SS*.  trans-65.6137177.927.2-32.8000110.4
83S52.7Low62.4Low10 Ų1090 Ų907%0.0750%0.503CS..  trans-76.4144.3171.252.20000108.5T37 R79 T85 E86T37-S83 WeakPolarHBondContact O-CA 3.36Å; T37-S83 WeakPolarHBondContact O-CB 3.45Å; R79-S83 VanDerWaalsContact NH2-N 3.16Å; R79-S83 PolarHBondContact NH2-OG 2.9Å; S83-T85 PolarHBondContact O-N 2.98Å; S83-T85 VanDerWaalsContact O-N 3.13Å; S83-E86 WeakPolarHBondContact OG-CB 3.28Å; S83-E86 PolarHBondContact OG-N 3.04Å
84L51.8Low60.4Low179 Ų17994.8 Ų94.894%0.93753%0.534SS*.THydrogen-bonded Turntrans-69.1-4.5177.1-77.6166000112.9
85T47.2Very low58.3Low104 Ų10499.3 Ų99.364%0.63856%0.56SS**THydrogen-bonded Turntrans-126.8-5.4-168.452.80000116S83S83-T85 PolarHBondContact O-N 2.98Å; S83-T85 VanDerWaalsContact O-N 3.13Å
86E39.6Very low56.2Low72 Ų72107.6 Ų107.634%0.33659%0.591SS.*SBendtrans-111.2124.9173-75.3173.1152.200111R36 R79 S83R36-E86 IonicContact CZ-OE1 2.81Å; R36-E86 IonicContact NE-OE1 3Å; R36-E86 PolarHBondContact NE-OE1 3.4Å; R36-E86 IonicContact NE-OE2 3.76Å; R36-E86 IonicContact NH2-OE1 3.89Å; R36-E86 PolarHBondContact NH2-OE1 3.04Å; R79-E86 IonicContact CZ-OE2 2.73Å; R79-E86 IonicContact NH1-OE2 3.78Å; R79-E86 PolarHBondContact NH1-OE2 3.2Å; R79-E86 IonicContact NH2-OE2 3.34Å; S83-E86 WeakPolarHBondContact OG-CB 3.28Å; S83-E86 PolarHBondContact OG-N 3.04Å
87R37.4Very low54Low235 Ų235108.2 Ų108.289%0.88761%0.609SS**  trans-43.9138.5161.4-112.5177.8178.8121.9-1.7109.5P89R87-P89 WeakPolarHBondContact O-CD 3.4Å
88P39.8Very low51.8Low118 Ų118113.9 Ų113.977%0.76665%0.646SS**  trans-68.7126.9-171.926.4-31.8000110.9S90P88-S90 PolarHBondContact O-N 3.45Å
89P37.7Very low49.9Very low115 Ų115116.7 Ų116.775%0.74766%0.66SS**  trans-71119.6154.229.4-26.8000107.2R87 E91R87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-E91 PolarHBondContact O-N 2.79Å
90S47Very low48.2Very low116 Ų116120.3 Ų120.381%0.81167%0.673SS**  trans-63.9105.4170.6175.10000108.7P88P88-S90 PolarHBondContact O-N 3.45Å
91E42Very low46.7Very low195 Ų195118.6 Ų118.691%0.91167%0.672SS**  trans176.6122145.4-101.6176.1-166.600110.8P89P89-E91 PolarHBondContact O-N 2.79Å
92G39Very low45.8Very low64 Ų64125.6 Ų125.666%0.6671%0.705SS**  trans141.6122.2173.900000112.6
93P41.8Very low45.2Very low123 Ų123127 Ų12780%0.79970%0.702SS**  trans-72.4130.1178.321.1-16.4000109.9L95P93-L95 PolarHBondContact O-N 2.94Å; P93-L95 VanDerWaalsContact O-N 3.16Å
94P47Very low45.3Very low113 Ų113131 Ų13173%0.73472%0.715SS**  trans-71.8113.317827.7-30.6000109.7R96P94-R96 PolarHBondContact O-N 3.44Å
95L46.6Very low45.4Very low184 Ų184130.2 Ų130.296%0.96371%0.706SS**  trans-73.625.9165.3-75.9172.6000112.8P93P93-L95 PolarHBondContact O-N 2.94Å; P93-L95 VanDerWaalsContact O-N 3.16Å
96R47.7Very low45.6Very low176 Ų176128.8 Ų128.866%0.66470%0.701SS**SBendtrans-112.7122168.9-89.3-165.3171.2-154.9-4.6108.3P94 E99P94-R96 PolarHBondContact O-N 3.44Å; R96-E99 IonicContact NH1-OE1 3.05Å
97G44.1Very low46.4Very low59 Ų59126.7 Ų126.761%0.60869%0.692SS**  trans-52.6162.9172.400000112E99G97-E99 PolarHBondContact O-N 3.31Å
98P46.5Very low47Very low130 Ų130119.5 Ų119.584%0.84468%0.676SS**  trans-53.1115.7-165.6-22.931.4000111.3R100P98-R100 PolarHBondContact O-N 3.46Å
99E48.5Very low47.6Very low155 Ų155117.8 Ų117.872%0.72467%0.665SS**  trans-62.3122.6173.4-69.4-158.6153.300108.4R96 G97 G101R96-E99 IonicContact NH1-OE1 3.05Å; G97-E99 PolarHBondContact O-N 3.31Å; E99-G101 PolarHBondContact O-N 3.28Å
100R50.7Low48.2Very low162 Ų162117.3 Ų117.361%0.61166%0.655SS**  trans-66.5100.9177.4-66.2-170.5-178.21740.8108.1P98 R104P98-R100 PolarHBondContact O-N 3.46Å; R100-R104 HydrophobicContact CB-CB 4.03Å
101G46.2Very low48Very low47 Ų47115.7 Ų115.749%0.48565%0.648SS.*  trans-58.2166.1172.800000112E99 H103 R104E99-G101 PolarHBondContact O-N 3.28Å; G101-H103 PolarHBondContact O-N 3.3Å; G101-R104 WeakPolarHBondContact O-CB 3.47Å; G101-R104 PolarHBondContact O-N 2.94Å
102L48.6Very low48Very low160 Ų160115.8 Ų115.884%0.83865%0.646SS**G310 helixtrans-51.5-22.2-178.3-66.7168.7000114.1R104L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.48Å
103H46.6Very low48.4Very low151 Ų151119.8 Ų119.870%0.69965%0.652SS**G310 helixtrans-77-9.8177-124.667.8000114.9G101G101-H103 PolarHBondContact O-N 3.3Å
104R55.1Low48.2Very low94 Ų94124.6 Ų124.636%0.35565%0.654SS.*G310 helixtrans-11018.4-168.4-131.8-167-169-103-0.8114.5R100 G101 L102 L107R100-R104 HydrophobicContact CB-CB 4.03Å; G101-R104 WeakPolarHBondContact O-CB 3.47Å; G101-R104 PolarHBondContact O-N 2.94Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.48Å; R104-L107 HydrophobicContact CG-CD1 3.79Å; R104-L107 VanDerWaalsContact CZ-CD1 3.48Å; R104-L107 VanDerWaalsContact NH1-CD1 3.26Å
105Q55.3Low47.9Very low161 Ų161127.5 Ų127.575%0.75266%0.657SS**SBendtrans-85.2-13178.5-64-172.210.600113.3
106S49.8Very low47.7Very low75 Ų75125 Ų12552%0.52465%0.652SS.*SBendtrans-79.8-17.217949.70000114.2
107L56.1Low47.5Very low27 Ų27123.2 Ų123.214%0.14166%0.655CS.*SBendtrans-72.1128.8-178.2-68.4177.3000111.3R104 F260 E264R104-L107 HydrophobicContact CG-CD1 3.79Å; R104-L107 VanDerWaalsContact CZ-CD1 3.48Å; R104-L107 VanDerWaalsContact NH1-CD1 3.26Å; L107-F260 HydrophobicContact CD2-CZ 4.14Å; L107-E264 HydrophobicContact CD2-CG 4.24Å; L107-E264 VanDerWaalsContact CD2-OE2 3.29Å; L107-E264 WeakPolarHBondContact CD2-OE2 3.39Å
108P51.6Low47.2Very low85 Ų85128 Ų12855%0.55267%0.667SS**  trans-54141.4163.7-19.429.5000109.4L110P108-L110 PolarHBondContact O-N 2.98Å
109P50.8Low46.9Very low82 Ų82125 Ų12553%0.53266%0.659SS.*  trans-56.1113.9172.5-21.431.3000108.9A111 K112P109-A111 HydrophobicContact CB-CB 3.98Å; P109-A111 PolarHBondContact O-N 2.88Å; P109-K112 PolarHBondContact O-N 2.7Å
110L50.3Low46.6Very low105 Ų105122.9 Ų122.955%0.5566%0.662SS.*G310 helixtrans-55.8-0.4166.7-67.7172.8000112.9P108 K112 L113P108-L110 PolarHBondContact O-N 2.98Å; L110-K112 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 2.83Å
111A43.4Very low46.1Very low81 Ų81123 Ų12367%0.66967%0.674SS**G310 helixtrans-62.9-16.4169.900000114.3P109 L113P109-A111 HydrophobicContact CB-CB 3.98Å; P109-A111 PolarHBondContact O-N 2.88Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.45Å
112K43.1Very low45.6Very low197 Ų197129.2 Ų129.286%0.85769%0.69SS**G310 helixtrans-78.6-7.7176.2-69.4-171.5179.9-179.30114.8P109 L110P109-K112 PolarHBondContact O-N 2.7Å; L110-K112 PolarHBondContact O-N 3.26Å
113L45.9Very low45.5Very low149 Ų149131.7 Ų131.778%0.7869%0.688SS**G310 helixtrans-112.88.3-173.6-79.9163.5000114.9L110 A111L110-L113 PolarHBondContact O-N 2.83Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.45Å
114R37.6Very low45.2Very low224 Ų224135.7 Ų135.785%0.84570%0.697SS**  trans-105.7101.9173.3-67.6-165.5-174.6154.21.4110.7
115H41.1Very low44.9Very low173 Ų173137.3 Ų137.380%0.80171%0.708SS**  trans-63.9140.3154-86.8-75000108.7N117H115-N117 PolarHBondContact O-N 3.35Å
116P43.7Very low44.4Very low131 Ų131135.6 Ų135.685%0.85171%0.711SS**SBendtrans-74.48.8-16728.7-34.5000114.8
117N42.3Very low44Very low139 Ų139143.1 Ų143.174%0.74373%0.728SS**  trans-148.491.7-178.4-158.938.7000110.1H115H115-N117 PolarHBondContact O-N 3.35Å
118D37.6Very low43.7Very low161 Ų161153.1 Ų153.186%0.86176%0.764SS**  trans-152.6115147.9-98.1-31.7000109.1
119G40.3Very low43.7Very low65 Ų65158.8 Ų158.867%0.6778%0.78SS**  trans-63.4154.1171.700000111.1L121G119-L121 PolarHBondContact O-N 2.82Å
120S43.5Very low43.3Very low112 Ų112159.8 Ų159.878%0.78379%0.789SS**  trans-26.3116.8169.356.50000115.1
121L40.3Very low43Very low164 Ų164162.3 Ų162.386%0.85980%0.802SS**  trans-158.8117.5141.4-76.7-169.5000110.3G119G119-L121 PolarHBondContact O-N 2.82Å
122H35.5Very low43Very low178 Ų178164.3 Ų164.382%0.82481%0.806SS**  trans27.9108.2156.7-86.8-74.4000119.9R124H122-R124 PolarHBondContact O-N 3.44Å
123R45.5Very low42.6Very low212 Ų212163.5 Ų163.580%0.880%0.803SS**  trans-36.5103149.4-176.1-178.3176.3171.3-2.5111.3E125R123-E125 HydrophobicContact CG-CG 4.3Å; R123-E125 IonicContact CZ-OE1 2.91Å; R123-E125 IonicContact NE-OE1 3.74Å; R123-E125 PolarHBondContact NE-OE1 2.98Å; R123-E125 IonicContact NH2-OE1 3.79Å; R123-E125 PolarHBondContact NH2-OE1 3.06Å
124R40.5Very low42.6Very low234 Ų234163 Ų16388%0.88381%0.806SS**  trans-102.1103.5160.1-116.3-174.9-179.6-166.72.7107.2H122H122-R124 PolarHBondContact O-N 3.44Å
125E48Very low42.6Very low128 Ų128155 Ų15560%0.59879%0.794SS**  trans-58.2138.5170.5-68.5175164.800109.6R123 R127R123-E125 HydrophobicContact CG-CG 4.3Å; R123-E125 IonicContact CZ-OE1 2.91Å; R123-E125 IonicContact NE-OE1 3.74Å; R123-E125 PolarHBondContact NE-OE1 2.98Å; R123-E125 IonicContact NH2-OE1 3.79Å; R123-E125 PolarHBondContact NH2-OE1 3.06Å; E125-R127 PolarHBondContact O-N 3.17Å
126P45.2Very low42.7Very low125 Ų125151.1 Ų151.181%0.81279%0.792SS**  trans-58.2112.2173.7-23.933.9000110.1R128P126-R128 PolarHBondContact O-N 3.35Å
127R40.9Very low42.8Very low233 Ų233151.1 Ų151.188%0.87979%0.792SS**  trans-54.5104173.1-86.5-178161.3-173.5-5.7109.6E125 K129E125-R127 PolarHBondContact O-N 3.17Å; R127-K129 PolarHBondContact O-N 3.4Å; R127-K129 VanDerWaalsContact O-N 3.15Å
128R50.2Low43.2Very low237 Ų237154.5 Ų154.589%0.89479%0.794SS**  trans-55.6114160.2-74.1179.8150.3-154.7-6.6108.4P126 S130P126-R128 PolarHBondContact O-N 3.35Å; R128-S130 VanDerWaalsContact C-N 3.34Å; R128-S130 PolarHBondContact O-N 3.12Å; R128-S130 VanDerWaalsContact O-N 3.15Å
129K53Low43.7Very low205 Ų205150.6 Ų150.689%0.89178%0.779SS**  trans-78.188.6164.7-64.7176.4-176.9175.50107.1R127 L131R127-K129 PolarHBondContact O-N 3.4Å; R127-K129 VanDerWaalsContact O-N 3.15Å; K129-L131 PolarHBondContact O-N 3.29Å; K129-L131 VanDerWaalsContact O-N 3.14Å
130S42.3Very low44.5Very low103 Ų103154.3 Ų154.372%0.7278%0.783SS**  trans-75.692.5165.455.20000108.4R128 T132R128-S130 VanDerWaalsContact C-N 3.34Å; R128-S130 PolarHBondContact O-N 3.12Å; R128-S130 VanDerWaalsContact O-N 3.15Å; S130-T132 PolarHBondContact O-N 3.03Å
131L43.1Very low45Very low158 Ų158158.4 Ų158.483%0.82778%0.781SS**  trans-85.787.5160.7-175.968.3000107.2K129 F133K129-L131 PolarHBondContact O-N 3.29Å; K129-L131 VanDerWaalsContact O-N 3.14Å; L131-F133 PolarHBondContact O-N 3.3Å
132T43Very low45.6Very low123 Ų123156.2 Ų156.276%0.75577%0.767SS**  trans-71.3104.6163.339.10000108.2S130S130-T132 PolarHBondContact O-N 3.03Å
133F35.2Very low46.7Very low179 Ų179154.4 Ų154.479%0.78576%0.761SS**  trans-97.3106.5160.3-160-96.2000107.8L131 G135L131-F133 PolarHBondContact O-N 3.3Å; F133-G135 PolarHBondContact O-N 2.84Å
134T45.2Very low47.2Very low138 Ų138151.5 Ų151.585%0.84776%0.761SS**  trans-70.2108162.840.30000108
135G38.1Very low47.7Very low58 Ų58144.9 Ų144.960%0.59875%0.751SS**  trans-174.7111.817500000112.1F133F133-G135 PolarHBondContact O-N 2.84Å
136A43.9Very low47.1Very low90 Ų90142.7 Ų142.774%0.74476%0.763SS**PPolyproline II helixtrans-53.8154.4-179.200000114.2R138A136-R138 PolarHBondContact O-N 2.94Å
137P44.7Very low46.5Very low131 Ų131140.4 Ų140.485%0.85176%0.762SS**PPolyproline II helixtrans-75.3127-174.130.6-32.8000111
138R52Low46.9Very low211 Ų211140.8 Ų140.880%0.79676%0.763SS**PPolyproline II helixtrans-87.5134.9166.5-70.7-174.8-177.1-111.25.2110.1A136 E142A136-R138 PolarHBondContact O-N 2.94Å; R138-E142 IonicContact NH1-OE2 3.32Å; R138-E142 PolarHBondContact NH1-OE2 3.43Å
139S47.3Very low46.3Very low78 Ų78137.9 Ų137.955%0.54576%0.764SS.*PPolyproline II helixtrans-71.2139-179.81770000111.8R141 E142S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 PolarHBondContact OG-N 3.24Å; S139-E142 PolarHBondContact O-N 3.44Å
140L56.2Low45.3Very low143 Ų143131.5 Ų131.575%0.74976%0.756SS**THydrogen-bonded Turntrans-57.2-7.9173.4-83165.8000114.7
141R55.2Low44.8Very low198 Ų198134 Ų13475%0.74776%0.761SS**THydrogen-bonded Turntrans-73.4-27.1172.4165.4178.7-89-120.1-2.2113.6S139S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 PolarHBondContact OG-N 3.24Å
142E53.2Low44.3Very low119 Ų119131.2 Ų131.256%0.55676%0.761SS**SBendtrans-76.8-25.4-177.5-80.4-173160.900113.5R138 S139 L144R138-E142 IonicContact NH1-OE2 3.32Å; R138-E142 PolarHBondContact NH1-OE2 3.43Å; S139-E142 PolarHBondContact O-N 3.44Å; E142-L144 VanDerWaalsContact C-N 3.33Å
143I57.5Low43.6Very low139 Ų139132.5 Ų132.571%0.71376%0.758SS**SBendtrans-76.5-23.6-178.6-59.7174.7000111.7
144L55.6Low43.4Very low152 Ų152127.7 Ų127.780%0.79676%0.759SS**SBendtrans-109.23.7-171.5-61.9176.2000114.1E142E142-L144 VanDerWaalsContact C-N 3.33Å
145S52.1Low42.9Very low94 Ų94129 Ų12966%0.65775%0.753SS**  trans-133.178.3-175.9-63.70000112.8
146G36.3Very low42.7Very low83 Ų83138.4 Ų138.486%0.85677%0.771SS**  trans158.8119.416500000111.4
147G32.2Very low42.2Very low77 Ų77144.8 Ų144.879%0.79478%0.776SS**  cis-168.3155.63.700000108.3
148R48.4Very low41.4Very low240 Ų240146.8 Ų146.891%0.90678%0.778SS**  trans-77.8175.7171.3-63.4-173.3-167.9-133.54.6110.8
149I37.3Very low40.7Very low177 Ų177144.3 Ų144.391%0.90878%0.78SS**  trans109.5126.3152.5-53.6153.2000111.2
150G33.6Very low40Very low70 Ų70149 Ų14972%0.72280%0.798SS**  cis-158.7-162.31.400000106.3
151D31Very low38.7Very low157 Ų157145.5 Ų145.584%0.8480%0.796SS**  cis-173.9145.3-0.5-157.7-0.3000103.7
152A32.8Very low37.4Very low98 Ų98141.9 Ų141.981%0.8180%0.801SS**  trans170.980.3156.500000111.7
153E28.4Very low36.3Very low150 Ų150142 Ų14270%0.70181%0.81SS**  13.9126.6128.5-155.2151-158.100120.4K155E153-K155 IonicContact OE1-NZ 3.51Å; E153-K155 PolarHBondContact OE1-NZ 2.92Å
154G30.3Very low35.1Very low79 Ų79138.4 Ų138.481%0.81481%0.807SS**  trans-163.860.3169.300000112.7
155K34.7Very low34Very low165 Ų165137.7 Ų137.772%0.71780%0.802SS**  trans-57.2130.4170.6-72.2159.9178143.80110.9E153E153-K155 IonicContact OE1-NZ 3.51Å; E153-K155 PolarHBondContact OE1-NZ 2.92Å
156R33.8Very low33.2Very low255 Ų255140.2 Ų140.296%0.96280%0.804SS**  -143.6122.2126.5-69.4-160.5-178.5-170.70.4111
157R32.9Very low33.1Very low225 Ų225142.7 Ų142.785%0.84979%0.793SS**  trans-78.2148.1175.1-178.9-172-63.3-148.2-1.1108.8
158L27.9Very low33.3Very low172 Ų172146.7 Ų146.790%0.90179%0.79SS**  trans-16699.6136.2-99.2158.9000109
159L37.5Very low32.7Very low160 Ų160139.7 Ų139.784%0.83878%0.784SS**  trans-96.5132.9152.1-82.2167.3000106.4
160L34Very low32.7Very low177 Ų177135 Ų13593%0.92778%0.779SS**  trans-179129.6151-115.487.2000102.9
161G27.1Very low33.5Very low69 Ų69137.6 Ų137.671%0.71178%0.783SS**  cis156.6146.29.600000106.9
162S29.3Very low33.9Very low122 Ų122134 Ų13485%0.85378%0.775SS**  trans47.3132.9145.1-129.20000119.2
163V29.5Very low34.3Very low122 Ų122139.4 Ų139.474%0.73978%0.781SS**  -174.3136.757.4172.10000104
164G32.1Very low35.1Very low63 Ų63135.4 Ų135.465%0.64978%0.78SS**  97.3138.153.200000111.1
165I33.3Very low36.2Very low136 Ų136139 Ų13970%0.69779%0.786SS**  trans95.597.9158.4-57-172.9000116.3
166H34.7Very low36.5Very low148 Ų148134.9 Ų134.969%0.68578%0.783SS**  84.5150.893.7-66.2-4.8000112.9
167H34.8Very low37.4Very low134 Ų134127.1 Ų127.162%0.6277%0.766SS**  cis-168.9155.6-0.3-104.5-54000107.8
168H36.1Very low38.6Very low161 Ų161121.9 Ų121.975%0.74576%0.76SS**  trans54.4115.7142.6-63.8-60.1000125.4
169A34.9Very low40.1Very low94 Ų94115.8 Ų115.878%0.77774%0.739SS**  35.7112.8114.300000123.1
170G37.1Very low40.9Very low77 Ų77113.8 Ų113.879%0.79473%0.729SS**  trans66.4162.614200000119.5
171P51.2Low42Very low125 Ų125115.4 Ų115.481%0.81272%0.723SS**  cis-137.3-179.30.739.9-20.1000115.5
172A38.9Very low43.6Very low82 Ų82115.6 Ų115.668%0.67871%0.71SS**  trans58.5120.3145.800000122.2
173F42.4Very low45.3Very low212 Ų212112.8 Ų112.893%0.9369%0.69SS**  trans53.7128.7145-73.3-84.6000121.2
174G44.8Very low47.3Very low65 Ų65112.5 Ų112.567%0.6768%0.681SS**  trans101.399.6147.100000114.6
175T54Low49.3Very low154 Ų154115.3 Ų115.395%0.94568%0.678SS**  trans53.699.1143.7-23.80000117
176A40.1Very low51.6Low80 Ų80113.9 Ų113.966%0.66167%0.669SS**  trans-132.3154.2171.100000111.9L180A176-L180 HydrophobicContact CB-CD1 4.45Å
177P52.7Low54Low92 Ų92110.7 Ų110.760%0.59766%0.656SS**  trans-89.9174.5-150.437-35.5000114.5G179P177-G179 PolarHBondContact O-N 3.29Å
178P58.4Low56.5Low114 Ų114107.8 Ų107.874%0.7465%0.645SS**THydrogen-bonded Turntrans-59.3-11.7-169.2-25.134.4000117.6
179G58.4Low59Low44 Ų44104.4 Ų104.445%0.45464%0.636SS.*Hα-helixtrans-81.6-9.2-174.100000116.7P177 T182P177-G179 PolarHBondContact O-N 3.29Å; G179-T182 PolarHBondContact O-OG1 3.02Å
180L56.2Low61.5Low119 Ų119107.1 Ų107.162%0.62363%0.626SS**Hα-helixtrans-85.2-27.1175.5-92147.6000112.7A176 H184A176-L180 HydrophobicContact CB-CD1 4.45Å; L180-H184 PolarHBondContact O-N 3.02Å
181W56.3Low64.1Low210 Ų210107.5 Ų107.580%0.79561%0.609SS**Hα-helixtrans-71.6-34.1176.7-76.969.2000112H184 M185W181-H184 PolarHBondContact O-N 2.96Å; W181-M185 VanDerWaalsContact O-CB 3.28Å; W181-M185 WeakPolarHBondContact O-CB 3.38Å; W181-M185 PolarHBondContact O-N 3.38Å
182T61.2Low66Low73 Ų73105.7 Ų105.745%0.44860%0.596SS.*Hα-helixtrans-64.2-41.6175.344.60000111.5G179 M185 E186G179-T182 PolarHBondContact O-OG1 3.02Å; T182-M185 PolarHBondContact O-N 3.38Å; T182-E186 WeakPolarHBondContact O-CB 3.33Å; T182-E186 VanDerWaalsContact O-CG 3.25Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.97Å
183C63.9Low68.4Low64 Ų64104.3 Ų104.343%0.43258%0.581SS.*Hα-helixtrans-67-41.2177.4-62.30000112.8M185 E186 D187C183-M185 VanDerWaalsContact C-N 3.33Å; C183-M185 PolarHBondContact O-N 2.98Å; C183-E186 PolarHBondContact O-N 2.65Å; C183-D187 PolarHBondContact O-N 3.3Å
184H72.6Confident70.8Confident116 Ų11698.6 Ų98.654%0.53756%0.56SS.*Hα-helixtrans-66-36.9175.2-177.258.1000112.3L180 W181 D187 L188L180-H184 PolarHBondContact O-N 3.02Å; W181-H184 PolarHBondContact O-N 2.96Å; H184-D187 PolarHBondContact O-N 3.15Å; H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 2.99Å
185M74.4Confident73Confident121 Ų121100.3 Ų100.360%0.59655%0.55SS**Hα-helixtrans-65.9-40.2174.7-17064.2161.900111.5W181 T182 C183 L188 V189W181-M185 VanDerWaalsContact O-CB 3.28Å; W181-M185 WeakPolarHBondContact O-CB 3.38Å; W181-M185 PolarHBondContact O-N 3.38Å; T182-M185 PolarHBondContact O-N 3.38Å; C183-M185 VanDerWaalsContact C-N 3.33Å; C183-M185 PolarHBondContact O-N 2.98Å; M185-L188 PolarHBondContact O-N 2.83Å; M185-V189 WeakPolarHBondContact O-CB 3.42Å; M185-V189 VanDerWaalsContact O-CG2 3.24Å; M185-V189 WeakPolarHBondContact O-CG2 3.31Å; M185-V189 PolarHBondContact O-N 3.5Å
186E81.7Confident74.8Confident107 Ų107102.3 Ų102.350%0.554%0.541SS..Hα-helixtrans-63.8-37.8173.8-73.3165.2-162.900112.3T182 C183 V189 R190T182-E186 WeakPolarHBondContact O-CB 3.33Å; T182-E186 VanDerWaalsContact O-CG 3.25Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.97Å; C183-E186 PolarHBondContact O-N 2.65Å; E186-V189 PolarHBondContact O-N 2.98Å; E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 2.85Å
187D83.4Confident77.4Confident80 Ų80104.1 Ų104.143%0.42854%0.535SS..Hα-helixtrans-66.3-40.5173.5-73.5-21.2000112.8C183 H184 R190 L191C183-D187 PolarHBondContact O-N 3.3Å; H184-D187 PolarHBondContact O-N 3.15Å; D187-R190 PolarHBondContact O-N 3.18Å; D187-R190 IonicContact OD1-CZ 3.33Å; D187-R190 VanDerWaalsContact OD1-CZ 3.27Å; D187-R190 IonicContact OD1-NE 3.39Å; D187-R190 PolarHBondContact OD1-NE 3.49Å; D187-R190 IonicContact OD1-NH2 2.66Å; D187-R190 PolarHBondContact OD1-NH2 2.93Å; D187-L191 WeakPolarHBondContact O-CB 3.41Å; D187-L191 PolarHBondContact O-N 3.44Å
188L87.3Confident79.3Confident74 Ų74103.2 Ų103.239%0.38753%0.528SS..Hα-helixtrans-65.5-42.1173.9-74.4171.6000111.5H184 M185 R190 L191 V192H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 2.99Å; M185-L188 PolarHBondContact O-N 2.83Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 PolarHBondContact O-N 3.38Å; L188-L191 PolarHBondContact O-N 2.83Å; L188-V192 WeakPolarHBondContact O-CB 3.44Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 2.89Å
189V89.3Confident81Confident90 Ų90102.5 Ų102.555%0.54552%0.517SS..Hα-helixtrans-61.8-42174.6170.60000110.7M185 E186 V192 S193M185-V189 WeakPolarHBondContact O-CB 3.42Å; M185-V189 VanDerWaalsContact O-CG2 3.24Å; M185-V189 WeakPolarHBondContact O-CG2 3.31Å; M185-V189 PolarHBondContact O-N 3.5Å; E186-V189 PolarHBondContact O-N 2.98Å; V189-V192 PolarHBondContact O-N 3.38Å; V189-S193 WeakPolarHBondContact O-CB 3.34Å; V189-S193 PolarHBondContact O-N 3.4Å; V189-S193 PolarHBondContact O-OG 3.34Å
190R88.3Confident82.7Confident150 Ų150103.9 Ų103.957%0.56651%0.514SS*.Hα-helixtrans-63.7-38.6173.5-77.3-172.6-77.7-164-6.8112.8E186 D187 L188 S193 L194E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 2.85Å; D187-R190 PolarHBondContact O-N 3.18Å; D187-R190 IonicContact OD1-CZ 3.33Å; D187-R190 VanDerWaalsContact OD1-CZ 3.27Å; D187-R190 IonicContact OD1-NE 3.39Å; D187-R190 PolarHBondContact OD1-NE 3.49Å; D187-R190 IonicContact OD1-NH2 2.66Å; D187-R190 PolarHBondContact OD1-NH2 2.93Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 PolarHBondContact O-N 3.38Å; R190-S193 WeakPolarHBondContact CA-OG 3.36Å; R190-S193 PolarHBondContact O-OG 2.93Å; R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 2.9Å
191L90.5Very high84.6Confident85 Ų85101.8 Ų101.845%0.44551%0.507SS..Hα-helixtrans-69.6-41.4177.1-174.763.2000111.3D187 L188 S193 L194 Q195D187-L191 WeakPolarHBondContact O-CB 3.41Å; D187-L191 PolarHBondContact O-N 3.44Å; L188-L191 PolarHBondContact O-N 2.83Å; L191-S193 VanDerWaalsContact C-N 3.35Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-Q195 WeakPolarHBondContact O-CB 3.48Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.36Å; L191-Q195 PolarHBondContact O-N 3.16Å
192V92.3Very high86.4Confident87 Ų8796.5 Ų96.553%0.52749%0.493SS..Hα-helixtrans-66-38.7175.6171.20000110.7L188 V189 Q195 R196L188-V192 WeakPolarHBondContact O-CB 3.44Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 2.89Å; V189-V192 PolarHBondContact O-N 3.38Å; V192-Q195 PolarHBondContact O-N 2.97Å; V192-R196 VanDerWaalsContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CB 3.27Å; V192-R196 PolarHBondContact O-N 2.86Å
193S88.5Confident88Confident53 Ų5398.1 Ų98.137%0.37150%0.496SS..Hα-helixtrans-65.3-42.5173.465.90000111.5V189 R190 L191 R196 E197V189-S193 WeakPolarHBondContact O-CB 3.34Å; V189-S193 PolarHBondContact O-N 3.4Å; V189-S193 PolarHBondContact O-OG 3.34Å; R190-S193 WeakPolarHBondContact CA-OG 3.36Å; R190-S193 PolarHBondContact O-OG 2.93Å; L191-S193 VanDerWaalsContact C-N 3.35Å; S193-R196 PolarHBondContact O-N 3.22Å; S193-E197 WeakPolarHBondContact O-CG 3.4Å; S193-E197 PolarHBondContact O-N 2.88Å
194L92.4Very high89.5Confident92 Ų92101 Ų10148%0.48250%0.501SS..Hα-helixtrans-63.7-42.6175.2-175.169.1000111.9R190 L191 R196 E197 T198R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 2.9Å; L191-L194 PolarHBondContact O-N 3.4Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 2.84Å; L194-E197 PolarHBondContact O-N 3.32Å; L194-T198 WeakPolarHBondContact O-CG2 3.16Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.43Å
195Q92.1Very high90.6Very high101 Ų101100.9 Ų100.947%0.47250%0.499SS..Hα-helixtrans-61.7-42.9174.8-78177.5-1700111L191 V192 E197 T198 L199L191-Q195 WeakPolarHBondContact O-CB 3.48Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.36Å; L191-Q195 PolarHBondContact O-N 3.16Å; V192-Q195 PolarHBondContact O-N 2.97Å; Q195-E197 VanDerWaalsContact C-N 3.34Å; Q195-E197 PolarHBondContact O-N 3.35Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.36Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 PolarHBondContact O-OG1 2.91Å; Q195-L199 WeakPolarHBondContact O-CB 3.44Å; Q195-L199 PolarHBondContact O-N 2.86Å
196R92Very high91.5Very high197 Ų19799.9 Ų99.974%0.74350%0.495SS*.Hα-helixtrans-63.5-38.8175.7-172.4168.9-175.9-122.6-0.9112.4V192 S193 L194 N200V192-R196 VanDerWaalsContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CB 3.27Å; V192-R196 PolarHBondContact O-N 2.86Å; S193-R196 PolarHBondContact O-N 3.22Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 2.84Å; R196-N200 VanDerWaalsContact O-CB 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.21Å; R196-N200 PolarHBondContact O-N 2.86Å
197E93.9Very high92.1Very high117 Ų117100.4 Ų100.455%0.54750%0.498SS..Hα-helixtrans-65.5-43.2173.4-73.5168.2-165.900111.7S193 L194 Q195 N200 V201S193-E197 WeakPolarHBondContact O-CG 3.4Å; S193-E197 PolarHBondContact O-N 2.88Å; L194-E197 PolarHBondContact O-N 3.32Å; Q195-E197 VanDerWaalsContact C-N 3.34Å; Q195-E197 PolarHBondContact O-N 3.35Å; E197-N200 PolarHBondContact O-N 3.34Å; E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.38Å
198T92.6Very high92.6Very high73 Ų7398.9 Ų98.945%0.44850%0.497SS..Hα-helixtrans-65.5-40.2178.263.30000112.3L194 Q195 V201 L202L194-T198 WeakPolarHBondContact O-CG2 3.16Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.43Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.36Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 PolarHBondContact O-OG1 2.91Å; T198-V201 PolarHBondContact O-N 3.41Å; T198-L202 WeakPolarHBondContact O-CG 3.36Å; T198-L202 PolarHBondContact O-N 2.79Å
199L94.8Very high92.7Very high99 Ų99102 Ų10252%0.51850%0.504SS..Hα-helixtrans-62.2-45.2173.3-82.8167.9000111.1Q195 V201 L202 E203Q195-L199 WeakPolarHBondContact O-CB 3.44Å; Q195-L199 PolarHBondContact O-N 2.86Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 PolarHBondContact O-N 2.83Å; L199-L202 CarbonylContact O-C 3.56Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L199-E203 WeakPolarHBondContact O-CB 3.44Å; L199-E203 WeakPolarHBondContact O-CG 3.42Å; L199-E203 PolarHBondContact O-N 3.46Å
200N94.2Very high92.9Very high73 Ų73102.8 Ų102.839%0.3950%0.502SS..Hα-helixtrans-62-36.4177.4-169-7.7000112.3R196 E197 K204R196-N200 VanDerWaalsContact O-CB 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.21Å; R196-N200 PolarHBondContact O-N 2.86Å; E197-N200 PolarHBondContact O-N 3.34Å; N200-K204 WeakPolarHBondContact O-CB 3.41Å; N200-K204 VanDerWaalsContact O-CG 3.3Å; N200-K204 WeakPolarHBondContact O-CG 3.26Å; N200-K204 PolarHBondContact O-N 2.93Å; N200-K204 VanDerWaalsContact OD1-CE 3.26Å; N200-K204 WeakPolarHBondContact OD1-CE 3.41Å
201V95.2Very high92.7Very high76 Ų7698 Ų9846%0.46150%0.495SS..Hα-helixtrans-66.9-39.6173.2171.40000111.7E197 T198 L199 K205E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.38Å; T198-V201 PolarHBondContact O-N 3.41Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 PolarHBondContact O-N 2.83Å; V201-K205 HydrophobicContact CG1-CD 4.49Å; V201-K205 WeakPolarHBondContact O-CG 3.34Å; V201-K205 PolarHBondContact O-N 3.08Å; V201-K205 VanDerWaalsContact O-N 3.08Å
202L94.1Very high92.5Very high99 Ų9999.1 Ų99.152%0.51850%0.497SS..Hα-helixtrans-70.4-39.9176.7-69.7175.2000112T198 L199 K205 L206T198-L202 WeakPolarHBondContact O-CG 3.36Å; T198-L202 PolarHBondContact O-N 2.79Å; L199-L202 CarbonylContact O-C 3.56Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L202-K205 PolarHBondContact O-N 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.35Å
203E95.1Very high92Very high107 Ų107100.7 Ų100.750%0.550%0.502SS..Hα-helixtrans-57.1-49.9172.3-76.8171.7172.200110.3L199 K205 L206 E207L199-E203 WeakPolarHBondContact O-CB 3.44Å; L199-E203 WeakPolarHBondContact O-CG 3.42Å; L199-E203 PolarHBondContact O-N 3.46Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.38Å; E203-L206 CarbonylContact O-C 3.43Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 2.9Å; E203-L206 VanDerWaalsContact O-N 3.13Å; E203-E207 WeakPolarHBondContact O-CB 3.36Å; E203-E207 VanDerWaalsContact O-CG 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.48Å; E203-E207 PolarHBondContact O-N 3.48Å
204K95.3Very high91.4Very high125 Ų125103 Ų10354%0.54351%0.507SS..Hα-helixtrans-61.5-33.7175.6-72.9174.3-179.3174.50114.1N200 A208N200-K204 WeakPolarHBondContact O-CB 3.41Å; N200-K204 VanDerWaalsContact O-CG 3.3Å; N200-K204 WeakPolarHBondContact O-CG 3.26Å; N200-K204 PolarHBondContact O-N 2.93Å; N200-K204 VanDerWaalsContact OD1-CE 3.26Å; N200-K204 WeakPolarHBondContact OD1-CE 3.41Å; K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 3.44Å
205K94.8Very high90.6Very high112 Ų112101.3 Ų101.349%0.48751%0.506SS..Hα-helixtrans-72.1-39175.1-77178.2-179.7-178.30111.6V201 L202 E203 A208 Y209V201-K205 HydrophobicContact CG1-CD 4.49Å; V201-K205 WeakPolarHBondContact O-CG 3.34Å; V201-K205 PolarHBondContact O-N 3.08Å; V201-K205 VanDerWaalsContact O-N 3.08Å; L202-K205 PolarHBondContact O-N 3.28Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.38Å; K205-A208 PolarHBondContact O-N 2.89Å; K205-Y209 WeakPolarHBondContact O-CD2 3.18Å; K205-Y209 PolarHBondContact O-N 2.93Å
206L94.3Very high89.5Confident100 Ų100104.9 Ų104.952%0.52452%0.515SS..Hα-helixtrans-63.8-45.4172.6-75.2170.8000110.3L202 E203 A208 Y209 E210L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.35Å; E203-L206 CarbonylContact O-C 3.43Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 2.9Å; E203-L206 VanDerWaalsContact O-N 3.13Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.09Å; L206-Y209 CarbonylContact O-C 3.46Å; L206-Y209 PolarHBondContact O-N 2.8Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; L206-E210 VanDerWaalsContact O-CB 3.27Å; L206-E210 WeakPolarHBondContact O-CB 3.36Å; L206-E210 VanDerWaalsContact O-CG 3.26Å; L206-E210 WeakPolarHBondContact O-CG 3.48Å; L206-E210 PolarHBondContact O-N 3.39Å
207E94.8Very high88.2Confident119 Ų11998.6 Ų98.656%0.55650%0.501SS*.Hα-helixtrans-57.5-38.3172.4-71.4170.2178.800111.8E203 A211E203-E207 WeakPolarHBondContact O-CB 3.36Å; E203-E207 VanDerWaalsContact O-CG 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.48Å; E203-E207 PolarHBondContact O-N 3.48Å; E207-A211 WeakPolarHBondContact O-CB 3.31Å; E207-A211 PolarHBondContact O-N 2.67Å
208A92.9Very high86.4Confident48 Ų4898.6 Ų98.640%0.39750%0.502SS..Hα-helixtrans-68.8-43175.100000112.6K204 K205 L206 A211 E212K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 3.44Å; K205-A208 PolarHBondContact O-N 2.89Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.09Å; A208-A211 PolarHBondContact O-N 2.96Å; A208-E212 WeakPolarHBondContact O-CB 3.46Å; A208-E212 WeakPolarHBondContact O-CG 3.3Å; A208-E212 PolarHBondContact O-N 3.34Å
209Y90.2Very high84.7Confident139 Ų13997.9 Ų97.955%0.54551%0.508SS..Hα-helixtrans-68.1-35.7174.3-69.3-49.2000112.2K205 L206 E212 L213K205-Y209 WeakPolarHBondContact O-CD2 3.18Å; K205-Y209 PolarHBondContact O-N 2.93Å; L206-Y209 CarbonylContact O-C 3.46Å; L206-Y209 PolarHBondContact O-N 2.8Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; Y209-E212 PolarHBondContact O-N 2.66Å; Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 WeakPolarHBondContact O-CG 3.43Å; Y209-L213 PolarHBondContact O-N 3.1Å
210E92.3Very high82.7Confident107 Ų107101.4 Ų101.450%0.552%0.515SS..Hα-helixtrans-65.5-42172.2-75.9176.7-174.100110.4L206 L213 Q214L206-E210 VanDerWaalsContact O-CB 3.27Å; L206-E210 WeakPolarHBondContact O-CB 3.36Å; L206-E210 VanDerWaalsContact O-CG 3.26Å; L206-E210 WeakPolarHBondContact O-CG 3.48Å; L206-E210 PolarHBondContact O-N 3.39Å; E210-L213 PolarHBondContact O-N 2.97Å; E210-Q214 WeakPolarHBondContact O-CB 3.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.2Å
211A85.5Confident80.7Confident50 Ų50100.6 Ų100.641%0.41352%0.524SS..Hα-helixtrans-67.7-35.5173.800000112.5E207 A208 Q214 A215E207-A211 WeakPolarHBondContact O-CB 3.31Å; E207-A211 PolarHBondContact O-N 2.67Å; A208-A211 PolarHBondContact O-N 2.96Å; A211-Q214 CarbonylContact O-C 3.05Å; A211-A215 VanDerWaalsContact O-CB 3.24Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.91Å
212E85.8Confident78.3Confident108 Ų10899.6 Ų99.651%0.50553%0.529SS..Hα-helixtrans-67.5-46.8172.1-78.3179-17200110.7A208 Y209 Q214 A215 W216A208-E212 WeakPolarHBondContact O-CB 3.46Å; A208-E212 WeakPolarHBondContact O-CG 3.3Å; A208-E212 PolarHBondContact O-N 3.34Å; Y209-E212 PolarHBondContact O-N 2.66Å; E212-Q214 VanDerWaalsContact C-N 3.29Å; E212-Q214 PolarHBondContact O-N 3.44Å; E212-A215 CarbonylContact O-C 3.59Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-A215 VanDerWaalsContact O-N 3.1Å; E212-W216 WeakPolarHBondContact O-CB 3.44Å; E212-W216 PolarHBondContact O-N 3.04Å
213L80.4Confident76.2Confident119 Ų119106.4 Ų106.462%0.62355%0.548SS*.Hα-helixtrans-62-38.7175.1-75.1168.2000111.6Y209 E210 W216 S217Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 WeakPolarHBondContact O-CG 3.43Å; Y209-L213 PolarHBondContact O-N 3.1Å; E210-L213 PolarHBondContact O-N 2.97Å; L213-W216 CarbonylContact O-C 3.58Å; L213-W216 PolarHBondContact O-N 3.17Å; L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.03Å; L213-S217 PolarHBondContact O-OG 3.32Å
214Q77.3Confident73.7Confident103 Ų103104.1 Ų104.148%0.48155%0.553SS.*Hα-helixtrans-66.2-40.1171.1-75.3168.84.500110.8E210 A211 E212 W216 S217 E218E210-Q214 WeakPolarHBondContact O-CB 3.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.2Å; A211-Q214 CarbonylContact O-C 3.05Å; E212-Q214 VanDerWaalsContact C-N 3.29Å; E212-Q214 PolarHBondContact O-N 3.44Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 2.89Å; Q214-S217 WeakPolarHBondContact CA-OG 3.41Å; Q214-S217 CarbonylContact O-C 3.58Å; Q214-S217 WeakPolarHBondContact O-CA 3.43Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.8Å; Q214-E218 WeakPolarHBondContact O-CA 3.43Å; Q214-E218 WeakPolarHBondContact O-CB 3.44Å; Q214-E218 VanDerWaalsContact O-CG 3.25Å; Q214-E218 WeakPolarHBondContact O-CG 3.24Å; Q214-E218 PolarHBondContact O-N 3Å
215A74.9Confident71.4Confident55 Ų55104 Ų10446%0.45558%0.575SS.*Hα-helixtrans-68.7-30.2173.600000112.4A211 E212 S217 G219A211-A215 VanDerWaalsContact O-CB 3.24Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.91Å; E212-A215 CarbonylContact O-C 3.59Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-A215 VanDerWaalsContact O-N 3.1Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-G219 WeakPolarHBondContact O-CA 3.33Å; A215-G219 PolarHBondContact O-N 3.32Å
216W68.9Low69Low177 Ų177101.2 Ų101.267%0.6758%0.578SS**Hα-helixtrans-74.6-18.4170.1-72.1115.1000112.8E212 L213 Q214 R220E212-W216 WeakPolarHBondContact O-CB 3.44Å; E212-W216 PolarHBondContact O-N 3.04Å; L213-W216 CarbonylContact O-C 3.58Å; L213-W216 PolarHBondContact O-N 3.17Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 2.89Å; W216-R220 WeakPolarHBondContact O-CB 3.5Å; W216-R220 PolarHBondContact O-NE 3.39Å
217S64.6Low66.1Low64 Ų64102.1 Ų102.145%0.44859%0.591SS.*Hα-helixtrans-98-28.6175.5800000113L213 Q214 A215 R220 G221L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.03Å; L213-S217 PolarHBondContact O-OG 3.32Å; Q214-S217 WeakPolarHBondContact CA-OG 3.41Å; Q214-S217 CarbonylContact O-C 3.58Å; Q214-S217 WeakPolarHBondContact O-CA 3.43Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.8Å; A215-S217 VanDerWaalsContact C-N 3.28Å; S217-R220 CarbonylContact O-C 3.53Å; S217-R220 VanDerWaalsContact O-CA 3.3Å; S217-R220 WeakPolarHBondContact O-CA 3.48Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 2.92Å; S217-G221 VanDerWaalsContact O-CA 3.26Å; S217-G221 WeakPolarHBondContact O-CA 3.4Å; S217-G221 PolarHBondContact O-N 3.34Å
218E57Low63.6Low118 Ų118102.3 Ų102.355%0.55161%0.613SS**Hα-helixtrans-91.3-35.2176.4-71.2-179.417200111.2Q214 R220 G221 G222Q214-E218 WeakPolarHBondContact O-CA 3.43Å; Q214-E218 WeakPolarHBondContact O-CB 3.44Å; Q214-E218 VanDerWaalsContact O-CG 3.25Å; Q214-E218 WeakPolarHBondContact O-CG 3.24Å; Q214-E218 PolarHBondContact O-N 3Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-G221 VanDerWaalsContact C-N 3.31Å; E218-G221 CarbonylContact O-C 3.57Å; E218-G221 PolarHBondContact O-N 3.45Å; E218-G222 VanDerWaalsContact O-CA 3.25Å; E218-G222 WeakPolarHBondContact O-CA 3.41Å; E218-G222 PolarHBondContact O-N 2.96Å
219G55.4Low61.3Low57 Ų57104.2 Ų104.259%0.58863%0.629SS**THydrogen-bonded Turntrans-58-17.1157.200000111.9A215A215-G219 WeakPolarHBondContact O-CA 3.33Å; A215-G219 PolarHBondContact O-N 3.32Å
220R53.8Low59.1Low174 Ų174103.9 Ų103.966%0.65764%0.636SS**THydrogen-bonded Turntrans-103.5-5.2168.9-133-178.8-74.1-114.53.6114.4W216 S217 E218W216-R220 WeakPolarHBondContact O-CB 3.5Å; W216-R220 PolarHBondContact O-NE 3.39Å; S217-R220 CarbonylContact O-C 3.53Å; S217-R220 VanDerWaalsContact O-CA 3.3Å; S217-R220 WeakPolarHBondContact O-CA 3.48Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 2.92Å; E218-R220 PolarHBondContact O-N 3.1Å
221G51.1Low57Low56 Ų56106.6 Ų106.658%0.57765%0.654SS**THydrogen-bonded Turntrans-15712.7-162.100000116.8S217 E218S217-G221 VanDerWaalsContact O-CA 3.26Å; S217-G221 WeakPolarHBondContact O-CA 3.4Å; S217-G221 PolarHBondContact O-N 3.34Å; E218-G221 VanDerWaalsContact C-N 3.31Å; E218-G221 CarbonylContact O-C 3.57Å; E218-G221 PolarHBondContact O-N 3.45Å
222G45.8Very low55.4Low55 Ų55105.9 Ų105.957%0.56765%0.651SS**  trans-111.544.7-167.500000114.5E218E218-G222 VanDerWaalsContact O-CA 3.25Å; E218-G222 WeakPolarHBondContact O-CA 3.41Å; E218-G222 PolarHBondContact O-N 2.96Å
223R49Very low53.6Low242 Ų242109.6 Ų109.691%0.91366%0.661SS**SBendtrans-152.987.2147.1-76.1-161.6-168-138.9-0.1108.7
224G42.7Very low52.3Low59 Ų59105.5 Ų105.561%0.60865%0.647SS**  trans157.162.1167.900000116.6G226G224-G226 PolarHBondContact O-N 2.87Å
225A48.3Very low51.5Low122 Ų122101.4 Ų101.4100%1.00863%0.632SS**SBendtrans-7280.6147.300000107.4
226G43.3Very low51.4Low53 Ų53100 Ų10055%0.54662%0.624SS.*SBendtrans151.1112.6-178.400000111.1G224G224-G226 PolarHBondContact O-N 2.87Å
227C33.7Very low51.8Low120 Ų12096.9 Ų96.981%0.81162%0.619SS**  trans85.4117.1173.2-51.70000116A229C227-A229 PolarHBondContact O-N 2.92Å
228A42.7Very low52.5Low123 Ų12399 Ų99100%1.01763%0.625SS**THydrogen-bonded Turntrans-67.951.7175.800000113.8
229A45.3Very low53.8Low88 Ų8899.6 Ų99.673%0.72763%0.628SS**THydrogen-bonded Turntrans-120.8-8.5-172.400000115.5C227C227-A229 PolarHBondContact O-N 2.92Å
230D43.3Very low55.3Low131 Ų131102.2 Ų102.270%0.70163%0.625SS**  trans-117.462.9-164.6-144.1-3.2000115.1G232D230-G232 PolarHBondContact O-N 3.3Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.86Å; D230-G232 VanDerWaalsContact OD1-N 3.15Å
231L48Very low56.9Low164 Ų16498 Ų9886%0.85961%0.614SS**  trans-68.28.7153.2-78.6166.8000112G235L231-G235 WeakPolarHBondContact O-CA 3.41Å; L231-G235 PolarHBondContact O-N 3.43Å
232G51.9Low58.9Low35 Ų35100.3 Ų100.336%0.36161%0.613SS.*Hα-helixtrans-84.3-16.2-157.700000117.8D230 G236D230-G232 PolarHBondContact O-N 3.3Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.86Å; D230-G232 VanDerWaalsContact OD1-N 3.15Å; G232-G236 WeakPolarHBondContact O-CA 3.45Å; G232-G236 PolarHBondContact O-N 3.33Å
233R48.2Very low61.2Low187 Ų187105.5 Ų105.571%0.70662%0.616SS**Hα-helixtrans-92.6-40.7-180-172.3171.2-82-106.6-1.7114
234G52.5Low63.4Low32 Ų3298.6 Ų98.633%0.3360%0.596SS.*Hα-helixtrans-73-35.3163.500000111.4L238G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 WeakPolarHBondContact O-CG 3.23Å; G234-L238 PolarHBondContact O-N 2.94Å
235G61Low65.8Low17 Ų1799.4 Ų99.418%0.17558%0.584CS.*Hα-helixtrans-61.3-40.6169.200000112.4L231 L237 L238 E239L231-G235 WeakPolarHBondContact O-CA 3.41Å; L231-G235 PolarHBondContact O-N 3.43Å; G235-L237 PolarHBondContact O-N 2.85Å; G235-L238 CarbonylContact O-C 3.58Å; G235-L238 PolarHBondContact O-N 3.37Å; G235-E239 WeakPolarHBondContact O-CA 3.33Å; G235-E239 WeakPolarHBondContact O-CB 3.47Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.07Å
236G73.7Confident68Low27 Ų2799.9 Ų99.928%0.27856%0.563SS.*Hα-helixtrans-63.7-41.2178.600000113.8G232 E240G232-G236 WeakPolarHBondContact O-CA 3.45Å; G232-G236 PolarHBondContact O-N 3.33Å; G236-E240 WeakPolarHBondContact O-CB 3.25Å; G236-E240 PolarHBondContact O-N 3.31Å
237L76.7Confident70.5Confident110 Ų110100.9 Ų100.958%0.57655%0.554SS**Hα-helixtrans-68.6-39.6172.5-73172.6000111.9G235 E240 I241G235-L237 PolarHBondContact O-N 2.85Å; L237-E240 PolarHBondContact O-N 2.98Å; L237-I241 WeakPolarHBondContact O-CB 3.4Å; L237-I241 WeakPolarHBondContact O-CD1 3.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.38Å
238L79.3Confident73.4Confident109 Ų109100.6 Ų100.657%0.57154%0.543SS*.Hα-helixtrans-66.7-39174.8-75.2166.9000112.1G234 G235 I241 L242G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 WeakPolarHBondContact O-CG 3.23Å; G234-L238 PolarHBondContact O-N 2.94Å; G235-L238 CarbonylContact O-C 3.58Å; G235-L238 PolarHBondContact O-N 3.37Å; L238-I241 PolarHBondContact O-N 2.91Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.46Å
239E84Confident75.9Confident131 Ų131102.3 Ų102.361%0.61252%0.524SS*.Hα-helixtrans-66.6-38.4174.2-77.2169.5-162.400110.8G235 L242 R243G235-E239 WeakPolarHBondContact O-CA 3.33Å; G235-E239 WeakPolarHBondContact O-CB 3.47Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.07Å; E239-L242 PolarHBondContact O-N 2.98Å; E239-R243 WeakPolarHBondContact O-CB 3.31Å; E239-R243 PolarHBondContact O-N 2.86Å
240E86.9Confident78.3Confident111 Ų111103 Ų10352%0.51951%0.51SS..Hα-helixtrans-66.9-43.3173.2-172.9166.9-157.200111.2G236 L237 R243 L244G236-E240 WeakPolarHBondContact O-CB 3.25Å; G236-E240 PolarHBondContact O-N 3.31Å; L237-E240 PolarHBondContact O-N 2.98Å; E240-R243 PolarHBondContact O-N 3.15Å; E240-L244 HydrophobicContact CG-CD1 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.49Å; E240-L244 PolarHBondContact O-N 2.92Å
241I88.5Confident80.8Confident85 Ų85100.5 Ų100.544%0.43650%0.497SS..Hα-helixtrans-59.2-49.3171.7-70.5162.7000110.1L237 L238 R243 L244 E245L237-I241 WeakPolarHBondContact O-CB 3.4Å; L237-I241 WeakPolarHBondContact O-CD1 3.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.38Å; L238-I241 PolarHBondContact O-N 2.91Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 2.96Å; I241-L244 CarbonylContact O-C 3.55Å; I241-L244 PolarHBondContact O-N 3.44Å; I241-E245 HydrophobicContact CG2-CG 4.31Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.48Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 VanDerWaalsContact O-CG 3.31Å; I241-E245 WeakPolarHBondContact O-CG 3.41Å; I241-E245 PolarHBondContact O-N 3.29Å
242L92.3Very high83Confident105 Ų10598.3 Ų98.355%0.5548%0.482SS..Hα-helixtrans-62.8-37178.2-73.8171.1000112.6L238 E239 K246L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.46Å; E239-L242 PolarHBondContact O-N 2.98Å; L242-K246 WeakPolarHBondContact O-CB 3.21Å; L242-K246 PolarHBondContact O-N 3.31Å
243R94.1Very high85Confident165 Ų165100 Ų10062%0.62349%0.485SS*.Hα-helixtrans-64.9-46.7174.1173.2-179.11601273110.3E239 E240 I241 K246 H247E239-R243 WeakPolarHBondContact O-CB 3.31Å; E239-R243 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3.15Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 2.94Å; R243-H247 PolarHBondContact O-CD2 3.31Å; R243-H247 PolarHBondContact O-N 2.86Å
244L94.3Very high87.1Confident97 Ų9796.1 Ų96.151%0.50848%0.475SS..Hα-helixtrans-64.4-41.5177.4-72173.2000111.4E240 I241 K246 H247 L248E240-L244 HydrophobicContact CG-CD1 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.49Å; E240-L244 PolarHBondContact O-N 2.92Å; I241-L244 CarbonylContact O-C 3.55Å; I241-L244 PolarHBondContact O-N 3.44Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.4Å; L244-H247 CarbonylContact O-C 3.59Å; L244-H247 WeakPolarHBondContact O-CB 3.45Å; L244-H247 PolarHBondContact O-N 3.38Å; L244-H247 VanDerWaalsContact O-N 3.13Å; L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 3.32Å
245E93.9Very high89Confident76 Ų7699.3 Ų99.336%0.35548%0.483SS..Hα-helixtrans-59.9-43.2173-75.4177.8-176.800111.7I241 H247 L248 R249I241-E245 HydrophobicContact CG2-CG 4.31Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.48Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 VanDerWaalsContact O-CG 3.31Å; I241-E245 WeakPolarHBondContact O-CG 3.41Å; I241-E245 PolarHBondContact O-N 3.29Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 2.91Å; E245-R249 WeakPolarHBondContact O-CG 3.32Å; E245-R249 PolarHBondContact O-N 2.63Å
246K94.9Very high90.5Very high131 Ų131103.9 Ų103.957%0.5750%0.499SS*.Hα-helixtrans-63.6-37.4174.5-175.4177-177.81760111.9L242 R243 L244 K250L242-K246 WeakPolarHBondContact O-CB 3.21Å; L242-K246 PolarHBondContact O-N 3.31Å; R243-K246 PolarHBondContact O-N 2.94Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.4Å; K246-K250 VanDerWaalsContact O-CG 3.31Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 3.44Å; K246-K250 VanDerWaalsContact O-N 3.16Å
247H95.2Very high91.3Very high74 Ų74107.8 Ų107.834%0.34351%0.511SS..Hα-helixtrans-69.2-40.7174-83.6-73.9000112R243 L244 E245 K250 N251R243-H247 PolarHBondContact O-CD2 3.31Å; R243-H247 PolarHBondContact O-N 2.86Å; L244-H247 CarbonylContact O-C 3.59Å; L244-H247 WeakPolarHBondContact O-CB 3.45Å; L244-H247 PolarHBondContact O-N 3.38Å; L244-H247 VanDerWaalsContact O-N 3.13Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.23Å; H247-K250 PolarHBondContact O-N 2.87Å; H247-N251 WeakPolarHBondContact O-CB 3.35Å; H247-N251 PolarHBondContact O-N 3.21Å; H247-N251 PolarHBondContact O-OD1 2.85Å
248L95.3Very high91.9Very high114 Ų114108.7 Ų108.760%0.59751%0.512SS*.Hα-helixtrans-60.7-46175.1-76172.2000111.1L244 E245 K250 N251 E252L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 3.32Å; E245-L248 PolarHBondContact O-N 2.91Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.32Å; L248-N251 PolarHBondContact O-N 2.86Å; L248-E252 VanDerWaalsContact O-CB 3.31Å; L248-E252 WeakPolarHBondContact O-CB 3.35Å; L248-E252 PolarHBondContact O-N 2.88Å
249R95.5Very high92.5Very high160 Ų160109.1 Ų109.160%0.60451%0.511SS*.Hα-helixtrans-61.2-36.8175.4-70.4178.4-167159.710.3112.9E245 V253E245-R249 WeakPolarHBondContact O-CG 3.32Å; E245-R249 PolarHBondContact O-N 2.63Å; R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 2.95Å
250K95.5Very high93Very high102 Ų102106 Ų10644%0.44350%0.496SS..Hα-helixtrans-67.7-47.3175.1-75173.8176.3-1700111.3K246 H247 L248 E252 V253 E254K246-K250 VanDerWaalsContact O-CG 3.31Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 3.44Å; K246-K250 VanDerWaalsContact O-N 3.16Å; H247-K250 PolarHBondContact O-N 2.87Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.32Å; K250-E252 VanDerWaalsContact C-N 3.25Å; K250-E252 PolarHBondContact O-N 3.46Å; K250-V253 PolarHBondContact O-N 3.47Å; K250-E254 WeakPolarHBondContact O-CG 3.2Å; K250-E254 PolarHBondContact O-N 3.22Å
251N95.3Very high93.2Very high78 Ų78107.6 Ų107.642%0.41750%0.497SS..Hα-helixtrans-62-37.2177.5-670.5000110.8H247 L248 E254 M255H247-N251 WeakPolarHBondContact O-CB 3.35Å; H247-N251 PolarHBondContact O-N 3.21Å; H247-N251 PolarHBondContact O-OD1 2.85Å; L248-N251 PolarHBondContact O-N 2.86Å; N251-E254 PolarHBondContact O-N 3.24Å; N251-M255 WeakPolarHBondContact O-CB 3.29Å; N251-M255 WeakPolarHBondContact O-CG 3.36Å; N251-M255 PolarHBondContact O-N 3.4Å
252E94.9Very high93.3Very high118 Ų118106.4 Ų106.455%0.55150%0.5SS*.Hα-helixtrans-60.5-48.3175.3-173.1172.1-15600111.2L248 K250 E254 M255 E256L248-E252 VanDerWaalsContact O-CB 3.31Å; L248-E252 WeakPolarHBondContact O-CB 3.35Å; L248-E252 PolarHBondContact O-N 2.88Å; K250-E252 VanDerWaalsContact C-N 3.25Å; K250-E252 PolarHBondContact O-N 3.46Å; E252-E254 PolarHBondContact O-N 2.89Å; E252-M255 PolarHBondContact O-N 2.85Å; E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 3.42Å
253V93.8Very high93.4Very high70 Ų70105 Ų10542%0.42450%0.496SS..Hα-helixtrans-63.3-42.1174.7174.80000111.9R249 K250 M255 E256 E257R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 2.95Å; K250-V253 PolarHBondContact O-N 3.47Å; V253-M255 VanDerWaalsContact C-N 3.32Å; V253-M255 PolarHBondContact O-N 3.18Å; V253-E256 PolarHBondContact O-N 2.97Å; V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.3Å
254E90.6Very high92.9Very high106 Ų10698.1 Ų98.150%0.49547%0.471SS..Hα-helixtrans-62.3-39.4176.7-72.4171.1-168.800111.5K250 N251 E252 E257 E258K250-E254 WeakPolarHBondContact O-CG 3.2Å; K250-E254 PolarHBondContact O-N 3.22Å; N251-E254 PolarHBondContact O-N 3.24Å; E252-E254 PolarHBondContact O-N 2.89Å; E254-E257 PolarHBondContact O-N 3.48Å; E254-E258 WeakPolarHBondContact O-CG 3.41Å; E254-E258 PolarHBondContact O-N 2.92Å
255M94.1Very high92.8Very high99 Ų9998.7 Ų98.749%0.48847%0.473SS..Hα-helixtrans-65-44.5174.5-72.6-62.3-51.200111.7N251 E252 V253 E257 E258 E259N251-M255 WeakPolarHBondContact O-CB 3.29Å; N251-M255 WeakPolarHBondContact O-CG 3.36Å; N251-M255 PolarHBondContact O-N 3.4Å; E252-M255 PolarHBondContact O-N 2.85Å; V253-M255 VanDerWaalsContact C-N 3.32Å; V253-M255 PolarHBondContact O-N 3.18Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 3.29Å; M255-E258 PolarHBondContact O-N 3.24Å; M255-E259 WeakPolarHBondContact O-CB 3.29Å; M255-E259 VanDerWaalsContact O-CG 3.3Å; M255-E259 WeakPolarHBondContact O-CG 3.5Å; M255-E259 PolarHBondContact O-N 3.37Å
256E92.1Very high92.8Very high113 Ų11399.6 Ų99.653%0.52848%0.478SS..Hα-helixtrans-60.2-39.5175.2-71.2174.7174.700111.8E252 V253 F260E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 3.42Å; V253-E256 PolarHBondContact O-N 2.97Å; E256-F260 WeakPolarHBondContact O-CB 3.42Å; E256-F260 PolarHBondContact O-N 3.09Å
257E89.8Confident92.7Very high110 Ų11096 Ų9651%0.51446%0.464SS..Hα-helixtrans-65.7-44174.8-73.4179.3-178.500111.8V253 E254 M255 F260 W261V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.3Å; E254-E257 PolarHBondContact O-N 3.48Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 3.29Å; E257-F260 WeakPolarHBondContact O-CB 3.28Å; E257-F260 PolarHBondContact O-N 2.75Å; E257-W261 PolarHBondContact O-N 3.34Å
258E89.7Confident92.3Very high128 Ų12896.3 Ų96.360%0.59847%0.466SS*.Hα-helixtrans-62.3-42.2175.9-75.4-174.4175.700111.9E254 M255 W261 A262E254-E258 WeakPolarHBondContact O-CG 3.41Å; E254-E258 PolarHBondContact O-N 2.92Å; M255-E258 PolarHBondContact O-N 3.24Å; E258-W261 PolarHBondContact O-N 3.37Å; E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 2.93Å
259E91.8Very high92.1Very high118 Ų11895.8 Ų95.855%0.55146%0.462SS*.Hα-helixtrans-61.7-44.6174.5-73.6176.5-173.100111.2M255 W261 A262 T263M255-E259 WeakPolarHBondContact O-CB 3.29Å; M255-E259 VanDerWaalsContact O-CG 3.3Å; M255-E259 WeakPolarHBondContact O-CG 3.5Å; M255-E259 PolarHBondContact O-N 3.37Å; E259-W261 PolarHBondContact O-N 3.36Å; E259-A262 PolarHBondContact O-N 3.04Å; E259-T263 WeakPolarHBondContact O-CG2 3.41Å; E259-T263 PolarHBondContact O-N 3.47Å; E259-T263 PolarHBondContact O-OG1 2.92Å
260F93.8Very high92.1Very high67 Ų6792.4 Ų92.429%0.29445%0.452SS..Hα-helixtrans-57.2-51.2174.1175.4-96.6000111.5L107 E256 E257 A262 T263 E264L107-F260 HydrophobicContact CD2-CZ 4.14Å; E256-F260 WeakPolarHBondContact O-CB 3.42Å; E256-F260 PolarHBondContact O-N 3.09Å; E257-F260 WeakPolarHBondContact O-CB 3.28Å; E257-F260 PolarHBondContact O-N 2.75Å; F260-A262 VanDerWaalsContact C-N 3.3Å; F260-A262 PolarHBondContact O-N 3.06Å; F260-T263 PolarHBondContact O-N 3.47Å; F260-T263 VanDerWaalsContact O-N 3.16Å; F260-T263 PolarHBondContact O-OG1 2.83Å; F260-E264 HydrophobicContact CD1-CG 4.22Å; F260-E264 HydrophobicContact CD2-CG 4.43Å; F260-E264 HydrophobicContact CE1-CG 3.72Å; F260-E264 HydrophobicContact CE2-CG 3.96Å; F260-E264 HydrophobicContact CZ-CG 3.57Å; F260-E264 PolarHBondContact O-N 3.41Å
261W92.2Very high91.7Very high143 Ų14389.2 Ų89.254%0.54244%0.443SS..Hα-helixtrans-64.4-33.5179-71117.1000113.1E257 E258 E259 L265E257-W261 PolarHBondContact O-N 3.34Å; E258-W261 PolarHBondContact O-N 3.37Å; E259-W261 PolarHBondContact O-N 3.36Å; W261-L265 VanDerWaalsContact O-CB 3.26Å; W261-L265 WeakPolarHBondContact O-CB 3.47Å; W261-L265 PolarHBondContact O-N 3.17Å
262A91.1Very high91.6Very high60 Ų6091 Ų9150%0.49645%0.449SS..Hα-helixtrans-64.4-42.4173.900000111.5E258 E259 F260 Q266E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 2.93Å; E259-A262 PolarHBondContact O-N 3.04Å; F260-A262 VanDerWaalsContact C-N 3.3Å; F260-A262 PolarHBondContact O-N 3.06Å; A262-Q266 PolarHBondContact O-N 3.15Å
263T93.5Very high91.7Very high76 Ų7691.9 Ų91.947%0.46645%0.447SS..Hα-helixtrans-66.9-43.3175.960.20000112.5E259 F260 L265 Q266 I267E259-T263 WeakPolarHBondContact O-CG2 3.41Å; E259-T263 PolarHBondContact O-N 3.47Å; E259-T263 PolarHBondContact O-OG1 2.92Å; F260-T263 PolarHBondContact O-N 3.47Å; F260-T263 VanDerWaalsContact O-N 3.16Å; F260-T263 PolarHBondContact O-OG1 2.83Å; T263-L265 PolarHBondContact O-N 3.14Å; T263-Q266 WeakPolarHBondContact O-CB 3.5Å; T263-Q266 PolarHBondContact O-N 2.88Å; T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.98Å
264E84.3Confident91.8Very high21 Ų2192.7 Ų92.710%0.09845%0.446CS..Hα-helixtrans-64.4-40.3177-72.4-67.4141.900111.6L107 F260 Q266 I267 E268L107-E264 HydrophobicContact CD2-CG 4.24Å; L107-E264 VanDerWaalsContact CD2-OE2 3.29Å; L107-E264 WeakPolarHBondContact CD2-OE2 3.39Å; F260-E264 HydrophobicContact CD1-CG 4.22Å; F260-E264 HydrophobicContact CD2-CG 4.43Å; F260-E264 HydrophobicContact CE1-CG 3.72Å; F260-E264 HydrophobicContact CE2-CG 3.96Å; F260-E264 HydrophobicContact CZ-CG 3.57Å; F260-E264 PolarHBondContact O-N 3.41Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 3.44Å; E264-I267 PolarHBondContact O-N 3.27Å; E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 WeakPolarHBondContact O-CG 3.28Å; E264-E268 PolarHBondContact O-N 2.97Å
265L90.9Very high92Very high108 Ų10892.3 Ų92.357%0.56545%0.447SS*.Hα-helixtrans-60.6-43.6174.4178.862.7000111.4W261 T263 E268 M269W261-L265 VanDerWaalsContact O-CB 3.26Å; W261-L265 WeakPolarHBondContact O-CB 3.47Å; W261-L265 PolarHBondContact O-N 3.17Å; T263-L265 PolarHBondContact O-N 3.14Å; L265-E268 PolarHBondContact O-N 3.18Å; L265-M269 HydrophobicContact CD1-CG 4.43Å; L265-M269 HydrophobicContact CG-SD 4.24Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.35Å; L265-M269 PolarHBondContact O-N 3.23Å
266Q95.3Very high92.1Very high96 Ų9692.1 Ų92.145%0.44945%0.445SS..Hα-helixtrans-61.7-43.8177.5-178.563.722.100111.7A262 T263 E264 M269 E270A262-Q266 PolarHBondContact O-N 3.15Å; T263-Q266 WeakPolarHBondContact O-CB 3.5Å; T263-Q266 PolarHBondContact O-N 2.88Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 3.44Å; Q266-M269 PolarHBondContact O-N 3.06Å; Q266-E270 PolarHBondContact NE2-OE1 2.92Å; Q266-E270 WeakPolarHBondContact O-CG 3.34Å; Q266-E270 PolarHBondContact O-N 2.92Å
267I91.4Very high92.4Very high55 Ų5591.1 Ų91.128%0.28244%0.44SS..Hα-helixtrans-62.1-45.3176.6-68165.7000110.7T263 E264 M269 E270 S271T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.98Å; E264-I267 PolarHBondContact O-N 3.27Å; I267-M269 PolarHBondContact O-N 3.45Å; I267-E270 PolarHBondContact O-N 2.83Å; I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 3.16Å
268E88.3Confident92.8Very high81 Ų8192.9 Ų92.938%0.37944%0.442SS..Hα-helixtrans-63.1-42.7178.7-71.3-74.6177.200110.9E264 L265 E270 S271 E272E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 WeakPolarHBondContact O-CG 3.28Å; E264-E268 PolarHBondContact O-N 2.97Å; L265-E268 PolarHBondContact O-N 3.18Å; E268-E270 PolarHBondContact O-N 2.75Å; E268-S271 PolarHBondContact O-N 3.15Å; E268-S271 PolarHBondContact O-OG 2.86Å; E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 PolarHBondContact O-N 3.46Å
269M90Very high93.2Very high103 Ų10391.2 Ų91.251%0.50744%0.437SS..Hα-helixtrans-60-42.6174.1-73177.164.200112.6L265 Q266 I267 S271 E272 R273L265-M269 HydrophobicContact CD1-CG 4.43Å; L265-M269 HydrophobicContact CG-SD 4.24Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.35Å; L265-M269 PolarHBondContact O-N 3.23Å; Q266-M269 PolarHBondContact O-N 3.06Å; I267-M269 PolarHBondContact O-N 3.45Å; M269-S271 VanDerWaalsContact C-N 3.34Å; M269-E272 PolarHBondContact O-N 3.49Å; M269-R273 WeakPolarHBondContact O-CB 3.34Å; M269-R273 PolarHBondContact O-N 3.37Å
270E94.8Very high93.5Very high88 Ų8891.7 Ų91.741%0.41144%0.439SS..Hα-helixtrans-67-36.7176.2-73.6174.8-165.900111.9Q266 I267 E268 R273 Q274Q266-E270 PolarHBondContact NE2-OE1 2.92Å; Q266-E270 WeakPolarHBondContact O-CG 3.34Å; Q266-E270 PolarHBondContact O-N 2.92Å; I267-E270 PolarHBondContact O-N 2.83Å; E268-E270 PolarHBondContact O-N 2.75Å; E270-R273 PolarHBondContact O-N 3.34Å; E270-Q274 VanDerWaalsContact O-CG 3.28Å; E270-Q274 WeakPolarHBondContact O-CG 3.38Å; E270-Q274 PolarHBondContact O-N 3.17Å
271S88.1Confident93.7Very high36 Ų3694 Ų9425%0.25245%0.451SS..Hα-helixtrans-68.3-40.2176.384.30000112.1I267 E268 M269 Q274 L275I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 3.16Å; E268-S271 PolarHBondContact O-N 3.15Å; E268-S271 PolarHBondContact O-OG 2.86Å; M269-S271 VanDerWaalsContact C-N 3.34Å; S271-Q274 PolarHBondContact O-N 3.02Å; S271-L275 VanDerWaalsContact O-CG 3.31Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.44Å
272E93.8Very high94Very high116 Ų11692 Ų9254%0.54245%0.45SS..Hα-helixtrans-61.2-48.1173.8-177.1171.9-156.500109.5E268 M269 Q274 L275 E276E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 PolarHBondContact O-N 3.46Å; M269-E272 PolarHBondContact O-N 3.49Å; E272-Q274 VanDerWaalsContact C-N 3.33Å; E272-Q274 PolarHBondContact O-N 3Å; E272-L275 WeakPolarHBondContact O-CB 3.39Å; E272-L275 PolarHBondContact O-N 3.32Å; E272-L275 VanDerWaalsContact O-N 3.09Å; E272-E276 WeakPolarHBondContact O-CG 3.46Å; E272-E276 PolarHBondContact O-N 2.92Å
273R96.8Very high94.3Very high135 Ų13596.9 Ų96.951%0.50946%0.456SS..Hα-helixtrans-56.4-44.6175.2-166-178.278.381.710.8112.3M269 E270 E276 E277M269-R273 WeakPolarHBondContact O-CB 3.34Å; M269-R273 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.34Å; R273-E276 PolarHBondContact O-N 2.79Å; R273-E277 IonicContact CZ-OE1 2.79Å; R273-E277 IonicContact NH1-OE1 3.49Å; R273-E277 PolarHBondContact NH1-OE1 3.16Å; R273-E277 IonicContact NH2-OE1 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.91Å
274Q96.3Very high94.6Very high87 Ų8795.1 Ų95.141%0.40745%0.453SS..Hα-helixtrans-65.1-38.2176.7-72.6172.721.400112.5E270 S271 E272 R278E270-Q274 VanDerWaalsContact O-CG 3.28Å; E270-Q274 WeakPolarHBondContact O-CG 3.38Å; E270-Q274 PolarHBondContact O-N 3.17Å; S271-Q274 PolarHBondContact O-N 3.02Å; E272-Q274 VanDerWaalsContact C-N 3.33Å; E272-Q274 PolarHBondContact O-N 3Å; Q274-R278 VanDerWaalsContact O-CG 3.3Å; Q274-R278 WeakPolarHBondContact O-CG 2.95Å; Q274-R278 PolarHBondContact O-N 2.96Å
275L94.6Very high95.2Very high98 Ų98101.8 Ų101.851%0.51348%0.477SS..Hα-helixtrans-67.6-40.5176-72.5171.2000111.1S271 E272 R278 L279S271-L275 VanDerWaalsContact O-CG 3.31Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.44Å; E272-L275 WeakPolarHBondContact O-CB 3.39Å; E272-L275 PolarHBondContact O-N 3.32Å; E272-L275 VanDerWaalsContact O-N 3.09Å; L275-R278 PolarHBondContact O-N 3.31Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.81Å
276E96.4Very high95.6Very high96 Ų96101.5 Ų101.545%0.44948%0.476SS..Hα-helixtrans-61.1-45.9173.9-72.2-179.7160.600111.8E272 R273 R278 L279 Q280E272-E276 WeakPolarHBondContact O-CG 3.46Å; E272-E276 PolarHBondContact O-N 2.92Å; R273-E276 PolarHBondContact O-N 2.79Å; E276-R278 PolarHBondContact O-N 2.91Å; E276-L279 PolarHBondContact O-N 3.48Å; E276-Q280 VanDerWaalsContact O-CG 3.28Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.81Å
277E98Very high95.7Very high91 Ų91102.7 Ų102.743%0.42548%0.481SS..Hα-helixtrans-58.6-46.5175-75173.4173.500111.5R273 L279 Q280 E281R273-E277 IonicContact CZ-OE1 2.79Å; R273-E277 IonicContact NH1-OE1 3.49Å; R273-E277 PolarHBondContact NH1-OE1 3.16Å; R273-E277 IonicContact NH2-OE1 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.91Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.93Å; E277-Q280 PolarHBondContact O-N 3Å; E277-E281 PolarHBondContact O-N 2.99Å
278R97.7Very high96.1Very high147 Ų147101.4 Ų101.456%0.55548%0.482SS*.Hα-helixtrans-62.9-40.2176-72.9175-176.2172.55.9112.2Q274 L275 E276 Q280 E281 L282Q274-R278 VanDerWaalsContact O-CG 3.3Å; Q274-R278 WeakPolarHBondContact O-CG 2.95Å; Q274-R278 PolarHBondContact O-N 2.96Å; L275-R278 PolarHBondContact O-N 3.31Å; E276-R278 PolarHBondContact O-N 2.91Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-E281 PolarHBondContact O-N 3.36Å; R278-L282 WeakPolarHBondContact O-CB 3.11Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 2.86Å
279L98Very high96.5Very high93 Ų93100.8 Ų100.849%0.48749%0.485SS..Hα-helixtrans-64.6-40.2175.9-76.9173000111.3L275 E276 E277 L282 R283L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.81Å; E276-L279 PolarHBondContact O-N 3.48Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.93Å; L279-L282 PolarHBondContact O-N 3.07Å; L279-R283 WeakPolarHBondContact O-CB 3.18Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.04Å
280Q98.3Very high96.9Very high128 Ų128100 Ų10060%0.59848%0.48SS*.Hα-helixtrans-64.9-43.2175.2-71.4173.11900111.5E276 E277 R278 R283 G284E276-Q280 VanDerWaalsContact O-CG 3.28Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.81Å; E277-Q280 PolarHBondContact O-N 3Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; Q280-R283 PolarHBondContact O-N 2.89Å; Q280-G284 PolarHBondContact O-N 2.87Å
281E98.4Very high97.1Very high116 Ų116101.2 Ų101.254%0.54249%0.488SS..Hα-helixtrans-59.8-48.4174.7-169.9-163.3150.200111.2E277 R278 R283 G284 R285E277-E281 PolarHBondContact O-N 2.99Å; R278-E281 PolarHBondContact O-N 3.36Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.05Å; E281-G284 PolarHBondContact O-N 3.33Å; E281-R285 WeakPolarHBondContact O-CG 3.26Å; E281-R285 PolarHBondContact O-N 2.73Å
282L97.9Very high97.6Very high100 Ų100104.4 Ų104.452%0.52450%0.498SS..Hα-helixtrans-62.6-40.2177.8-72.1175.2000112R278 L279 R285 L286R278-L282 WeakPolarHBondContact O-CB 3.11Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 2.86Å; L279-L282 PolarHBondContact O-N 3.07Å; L282-R285 PolarHBondContact O-N 3.29Å; L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 2.9Å
283R98.1Very high97.8Very high164 Ų164103.5 Ų103.562%0.61950%0.496SS*.Hα-helixtrans-62.1-43.9173.6-76172.8-175.2-170.74111.5L279 Q280 E281 L286 Q287L279-R283 WeakPolarHBondContact O-CB 3.18Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.04Å; Q280-R283 PolarHBondContact O-N 2.89Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.05Å; R283-L286 PolarHBondContact O-N 3.48Å; R283-Q287 WeakPolarHBondContact O-CB 3.47Å; R283-Q287 VanDerWaalsContact O-CG 3.31Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.13Å
284G98.3Very high97.9Very high38 Ų38102.9 Ų102.939%0.39250%0.497SS..Hα-helixtrans-62.3-43.717600000112.3Q280 E281 Q287 G288Q280-G284 PolarHBondContact O-N 2.87Å; E281-G284 PolarHBondContact O-N 3.33Å; G284-Q287 PolarHBondContact O-N 3.47Å; G284-G288 PolarHBondContact O-N 3.07Å
285R98.6Very high98Very high161 Ų161104.1 Ų104.161%0.60850%0.503SS*.Hα-helixtrans-63.1-41.3174.6-71176.962.7-179-1.4112.3E281 L282 G288 C289E281-R285 WeakPolarHBondContact O-CG 3.26Å; E281-R285 PolarHBondContact O-N 2.73Å; L282-R285 PolarHBondContact O-N 3.29Å; R285-G288 PolarHBondContact O-N 3.12Å; R285-C289 PolarHBondContact O-N 2.87Å; R285-C289 PolarHBondContact O-SG 3.1Å
286L98.4Very high98.2Very high103 Ų103105.5 Ų105.554%0.53951%0.505SS..Hα-helixtrans-64-44.7176.8-173.6121.7000111.2L282 R283 G288 C289 E290L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 2.9Å; R283-L286 PolarHBondContact O-N 3.48Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.32Å; L286-C289 WeakPolarHBondContact O-CB 3.36Å; L286-C289 PolarHBondContact O-N 3.49Å; L286-E290 VanDerWaalsContact CD2-OE1 3.28Å; L286-E290 WeakPolarHBondContact CD2-OE1 3.38Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.42Å
287Q98.4Very high98.3Very high120 Ų120105.2 Ų105.256%0.56151%0.506SS*.Hα-helixtrans-60.8-40.2173.9-72.7173.4-2.400112R283 G284 E290 M291R283-Q287 WeakPolarHBondContact O-CB 3.47Å; R283-Q287 VanDerWaalsContact O-CG 3.31Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.13Å; G284-Q287 PolarHBondContact O-N 3.47Å; Q287-E290 WeakPolarHBondContact O-CB 3.42Å; Q287-E290 PolarHBondContact O-N 3.35Å; Q287-M291 WeakPolarHBondContact O-CG 3.26Å; Q287-M291 PolarHBondContact O-N 3.19Å
288G98.4Very high98.3Very high29 Ų29105.2 Ų105.230%0.29951%0.513SS..Hα-helixtrans-58.8-49.9172.400000112.1G284 R285 L286 E290 M291 E292G284-G288 PolarHBondContact O-N 3.07Å; R285-G288 PolarHBondContact O-N 3.12Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.32Å; G288-E290 VanDerWaalsContact C-N 3.32Å; G288-E290 PolarHBondContact O-N 2.93Å; G288-M291 PolarHBondContact O-N 3.26Å; G288-M291 VanDerWaalsContact O-N 3.15Å; G288-E292 WeakPolarHBondContact O-CG 3.12Å; G288-E292 PolarHBondContact O-N 2.78Å
289C97.8Very high98.3Very high67 Ų67104.6 Ų104.645%0.45352%0.517SS..Hα-helixtrans-58.9-41.6174.8-67.60000112.3R285 L286 M291 E292 I293R285-C289 PolarHBondContact O-N 2.87Å; R285-C289 PolarHBondContact O-SG 3.1Å; L286-C289 WeakPolarHBondContact O-CB 3.36Å; L286-C289 PolarHBondContact O-N 3.49Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.35Å; C289-E292 PolarHBondContact O-N 3.41Å; C289-I293 WeakPolarHBondContact O-CB 3.43Å; C289-I293 WeakPolarHBondContact O-CD1 3.43Å; C289-I293 WeakPolarHBondContact O-CG1 3.4Å; C289-I293 PolarHBondContact O-N 2.92Å
290E98.4Very high98.3Very high86 Ų86104.6 Ų104.640%0.40252%0.518SS..Hα-helixtrans-61.5-40176.1-75.4179.7-170.800112.1L286 Q287 G288 K294L286-E290 VanDerWaalsContact CD2-OE1 3.28Å; L286-E290 WeakPolarHBondContact CD2-OE1 3.38Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.42Å; Q287-E290 WeakPolarHBondContact O-CB 3.42Å; Q287-E290 PolarHBondContact O-N 3.35Å; G288-E290 VanDerWaalsContact C-N 3.32Å; G288-E290 PolarHBondContact O-N 2.93Å; E290-K294 WeakPolarHBondContact O-CD 3.38Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.35Å; E290-K294 PolarHBondContact O-N 2.72Å
291M98.3Very high98.3Very high115 Ų115105.3 Ų105.357%0.56752%0.519SS*.Hα-helixtrans-65.7-47.7175.3-71.5-177.564.500111.4Q287 G288 C289 I293 K294 E295Q287-M291 WeakPolarHBondContact O-CG 3.26Å; Q287-M291 PolarHBondContact O-N 3.19Å; G288-M291 PolarHBondContact O-N 3.26Å; G288-M291 VanDerWaalsContact O-N 3.15Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.35Å; M291-I293 VanDerWaalsContact C-N 3.27Å; M291-I293 PolarHBondContact O-N 2.88Å; M291-K294 WeakPolarHBondContact O-CB 3.24Å; M291-K294 PolarHBondContact O-N 3Å; M291-K294 VanDerWaalsContact O-N 3.07Å; M291-E295 WeakPolarHBondContact O-CG 3.49Å; M291-E295 PolarHBondContact O-N 2.87Å
292E98.6Very high98.3Very high102 Ų102102 Ų10248%0.47752%0.516SS..Hα-helixtrans-58.8-38.6176.3-71.2179.8-160.600112.3G288 C289 K296G288-E292 WeakPolarHBondContact O-CG 3.12Å; G288-E292 PolarHBondContact O-N 2.78Å; C289-E292 PolarHBondContact O-N 3.41Å; E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CG 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.25Å; E292-K296 PolarHBondContact O-N 2.84Å
293I98.4Very high98.3Very high97 Ų97101.3 Ų101.350%0.49752%0.516SS..Hα-helixtrans-65.7-45.3175.1-70.2165.2000110.2C289 M291 E295 K296 L297C289-I293 WeakPolarHBondContact O-CB 3.43Å; C289-I293 WeakPolarHBondContact O-CD1 3.43Å; C289-I293 WeakPolarHBondContact O-CG1 3.4Å; C289-I293 PolarHBondContact O-N 2.92Å; M291-I293 VanDerWaalsContact C-N 3.27Å; M291-I293 PolarHBondContact O-N 2.88Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-E295 PolarHBondContact O-N 3.23Å; I293-K296 PolarHBondContact O-N 2.92Å; I293-L297 HydrophobicContact CG2-CD1 3.86Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.28Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.23Å; I293-L297 PolarHBondContact O-N 3.37Å
294K98.5Very high98.3Very high122 Ų12298.6 Ų98.653%0.5351%0.51SS..Hα-helixtrans-59.1-44.7176.6-73.5164.4-172.4164.30111.3E290 M291 L297 T298E290-K294 WeakPolarHBondContact O-CD 3.38Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.35Å; E290-K294 PolarHBondContact O-N 2.72Å; M291-K294 WeakPolarHBondContact O-CB 3.24Å; M291-K294 PolarHBondContact O-N 3Å; M291-K294 VanDerWaalsContact O-N 3.07Å; K294-L297 PolarHBondContact O-N 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.37Å; K294-T298 PolarHBondContact O-N 2.96Å; K294-T298 PolarHBondContact O-OG1 3.22Å
295E98.5Very high98.2Very high114 Ų11498.9 Ų98.953%0.53351%0.508SS..Hα-helixtrans-60.2-50.2176.1-72.1173.6-175.200111.4M291 I293 L297 T298 M299M291-E295 WeakPolarHBondContact O-CG 3.49Å; M291-E295 PolarHBondContact O-N 2.87Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-E295 PolarHBondContact O-N 3.23Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.41Å; E295-T298 WeakPolarHBondContact CA-OG1 3.42Å; E295-T298 PolarHBondContact O-N 3.46Å; E295-T298 VanDerWaalsContact O-N 3.1Å; E295-T298 PolarHBondContact O-OG1 3.22Å; E295-M299 WeakPolarHBondContact O-CG 3.4Å; E295-M299 PolarHBondContact O-N 3.27Å
296K97.9Very high98.2Very high127 Ų12792.8 Ų92.855%0.55250%0.496SS*.Hα-helixtrans-59.7-39.5176.6-73.6171.3-176.9163.30112.2E292 I293 M299 L300E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CG 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.25Å; E292-K296 PolarHBondContact O-N 2.84Å; I293-K296 PolarHBondContact O-N 2.92Å; K296-M299 PolarHBondContact O-N 2.81Å; K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.35Å; K296-L300 PolarHBondContact O-N 2.91Å
297L98.4Very high98.1Very high89 Ų8991.9 Ų91.947%0.46649%0.491SS..Hα-helixtrans-64.4-40.3174.7-73.6171.5000112I293 K294 E295 M299 L300 K301I293-L297 HydrophobicContact CG2-CD1 3.86Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.28Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.23Å; I293-L297 PolarHBondContact O-N 3.37Å; K294-L297 PolarHBondContact O-N 3.3Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.41Å; L297-M299 VanDerWaalsContact C-N 3.35Å; L297-L300 PolarHBondContact O-N 2.83Å; L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 2.87Å
298T98.3Very high98.1Very high92 Ų9292.5 Ų92.556%0.56449%0.494SS*.Hα-helixtrans-65.5-39.3174.8570000112.1K294 E295 K301 G302K294-T298 WeakPolarHBondContact O-CG2 3.37Å; K294-T298 PolarHBondContact O-N 2.96Å; K294-T298 PolarHBondContact O-OG1 3.22Å; E295-T298 WeakPolarHBondContact CA-OG1 3.42Å; E295-T298 PolarHBondContact O-N 3.46Å; E295-T298 VanDerWaalsContact O-N 3.1Å; E295-T298 PolarHBondContact O-OG1 3.22Å; T298-K301 PolarHBondContact O-N 2.95Å; T298-G302 PolarHBondContact O-N 2.93Å
299M98.3Very high98Very high133 Ų13397 Ų9766%0.65551%0.507SS*.Hα-helixtrans-63.7-44.8174.4-69.8-62.9-63.600111.7E295 K296 L297 G302 V303E295-M299 WeakPolarHBondContact O-CG 3.4Å; E295-M299 PolarHBondContact O-N 3.27Å; K296-M299 PolarHBondContact O-N 2.81Å; L297-M299 VanDerWaalsContact C-N 3.35Å; M299-G302 PolarHBondContact O-N 2.86Å; M299-V303 WeakPolarHBondContact O-CG2 3.15Å; M299-V303 PolarHBondContact O-N 2.8Å
300L98.3Very high97.9Very high94 Ų9497.5 Ų97.549%0.49250%0.503SS..Hα-helixtrans-60.2-46.5176.1-75.6172.1000111.6K296 L297 G302 V303 E304K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.35Å; K296-L300 PolarHBondContact O-N 2.91Å; L297-L300 PolarHBondContact O-N 2.83Å; L300-G302 VanDerWaalsContact C-N 3.26Å; L300-G302 PolarHBondContact O-N 2.83Å; L300-V303 PolarHBondContact O-N 2.86Å; L300-V303 VanDerWaalsContact O-N 3.1Å; L300-E304 WeakPolarHBondContact O-CB 3.49Å; L300-E304 VanDerWaalsContact O-CG 3.32Å; L300-E304 WeakPolarHBondContact O-CG 3.46Å; L300-E304 PolarHBondContact O-N 2.79Å
301K98.1Very high97.8Very high143 Ų14399.3 Ų99.362%0.62251%0.51SS*.Hα-helixtrans-58.5-38.6175.2-73.6176.5-179.7-175.50112.6L297 T298 A305L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 2.87Å; T298-K301 PolarHBondContact O-N 2.95Å; K301-A305 WeakPolarHBondContact O-CB 3.45Å; K301-A305 PolarHBondContact O-N 3.33Å
302G98.2Very high97.8Very high47 Ų4797.4 Ų97.449%0.48550%0.501SS..Hα-helixtrans-64.6-42.8174.700000112.7T298 M299 L300 G306T298-G302 PolarHBondContact O-N 2.93Å; M299-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact C-N 3.26Å; L300-G302 PolarHBondContact O-N 2.83Å; G302-G306 PolarHBondContact O-N 2.77Å
303V97.9Very high97.6Very high85 Ų8597.3 Ų97.352%0.51550%0.501SS..Hα-helixtrans-67.3-41.4176.4173.30000111.6M299 L300 G306 L307M299-V303 WeakPolarHBondContact O-CG2 3.15Å; M299-V303 PolarHBondContact O-N 2.8Å; L300-V303 PolarHBondContact O-N 2.86Å; L300-V303 VanDerWaalsContact O-N 3.1Å; V303-G306 PolarHBondContact O-N 2.86Å; V303-L307 HydrophobicContact CG1-CD1 4.2Å; V303-L307 WeakPolarHBondContact O-CG 3.31Å; V303-L307 PolarHBondContact O-N 3.37Å
304E97.8Very high97.5Very high107 Ų10798.1 Ų98.150%0.550%0.498SS..Hα-helixtrans-59.7-49.1175.8-74.7169.6176.600111.1L300 G306 L307 E308L300-E304 WeakPolarHBondContact O-CB 3.49Å; L300-E304 VanDerWaalsContact O-CG 3.32Å; L300-E304 WeakPolarHBondContact O-CG 3.46Å; L300-E304 PolarHBondContact O-N 2.79Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.47Å; E304-L307 PolarHBondContact O-N 3.34Å; E304-L307 VanDerWaalsContact O-N 3.17Å; E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 2.87Å
305A97.8Very high97.4Very high43 Ų4397.7 Ų97.736%0.35550%0.497SS..Hα-helixtrans-58.7-42.9174.900000111.9K301 L307 E308 E309K301-A305 WeakPolarHBondContact O-CB 3.45Å; K301-A305 PolarHBondContact O-N 3.33Å; A305-L307 PolarHBondContact O-N 2.82Å; A305-E308 PolarHBondContact O-N 2.85Å; A305-E309 WeakPolarHBondContact O-CG 3.37Å; A305-E309 PolarHBondContact O-N 2.92Å
306G97.8Very high97.2Very high34 Ų3498.9 Ų98.935%0.35150%0.497SS..Hα-helixtrans-62.2-39.9175.600000113.4G302 V303 E304 E310G302-G306 PolarHBondContact O-N 2.77Å; V303-G306 PolarHBondContact O-N 2.86Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.47Å; G306-E310 WeakPolarHBondContact O-CB 3.38Å; G306-E310 PolarHBondContact O-N 2.97Å
307L97.2Very high97.1Very high84 Ų8498.6 Ų98.644%0.4450%0.498SS..Hα-helixtrans-67.9-37.7175.1-75.5171.4000112.2V303 E304 A305 E310 K311V303-L307 HydrophobicContact CG1-CD1 4.2Å; V303-L307 WeakPolarHBondContact O-CG 3.31Å; V303-L307 PolarHBondContact O-N 3.37Å; E304-L307 PolarHBondContact O-N 3.34Å; E304-L307 VanDerWaalsContact O-N 3.17Å; A305-L307 PolarHBondContact O-N 2.82Å; L307-E310 PolarHBondContact O-N 3.31Å; L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.3Å; L307-K311 PolarHBondContact O-N 3.39Å
308E96.9Very high97Very high132 Ų132100.4 Ų100.462%0.61750%0.504SS*.Hα-helixtrans-64.8-44174.9-73.2178.9175.700111.7E304 A305 E310 K311 L312E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 2.87Å; A305-E308 PolarHBondContact O-N 2.85Å; E308-E310 VanDerWaalsContact C-N 3.34Å; E308-E310 PolarHBondContact O-N 2.9Å; E308-K311 PolarHBondContact O-N 3.35Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.37Å
309E96.8Very high96.8Very high125 Ų125100.3 Ų100.358%0.58450%0.503SS*.Hα-helixtrans-60.1-44.4173.9-73.2176.3-175.300111.5A305 L312 Q313A305-E309 WeakPolarHBondContact O-CG 3.37Å; A305-E309 PolarHBondContact O-N 2.92Å; E309-L312 PolarHBondContact O-N 3.25Å; E309-Q313 WeakPolarHBondContact O-CB 3.18Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.39Å; E309-Q313 PolarHBondContact O-N 3.49Å
310E95.8Very high96.7Very high76 Ų76100.1 Ų100.136%0.35550%0.501SS..Hα-helixtrans-66.6-38.9178.8-158.2-164.1-169.900112.1G306 L307 E308 Q313 R314G306-E310 WeakPolarHBondContact O-CB 3.38Å; G306-E310 PolarHBondContact O-N 2.97Å; L307-E310 PolarHBondContact O-N 3.31Å; E308-E310 VanDerWaalsContact C-N 3.34Å; E308-E310 PolarHBondContact O-N 2.9Å; E310-Q313 PolarHBondContact O-N 2.89Å; E310-R314 VanDerWaalsContact CG-NH1 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 3.18Å; E310-R314 IonicContact OE1-NH1 3.32Å; E310-R314 PolarHBondContact OE1-NH1 3.14Å; E310-R314 IonicContact OE1-NH2 2.75Å; E310-R314 PolarHBondContact OE1-NH2 3.44Å; E310-R314 IonicContact OE2-CZ 3.38Å; E310-R314 IonicContact OE2-NH1 2.63Å; E310-R314 PolarHBondContact OE2-NH1 2.96Å; E310-R314 IonicContact OE2-NH2 3.76Å; E310-R314 PolarHBondContact OE2-NH2 2.79Å
311K96.6Very high96.5Very high125 Ų125103.9 Ų103.954%0.54351%0.509SS..Hα-helixtrans-61.6-48.7172.8-77.1171.7-177.41770111.3L307 E308 Q313 R314 E315L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.3Å; L307-K311 PolarHBondContact O-N 3.39Å; E308-K311 PolarHBondContact O-N 3.35Å; K311-Q313 VanDerWaalsContact C-N 3.26Å; K311-Q313 PolarHBondContact O-N 3.26Å; K311-R314 WeakPolarHBondContact O-CB 3.44Å; K311-R314 PolarHBondContact O-N 2.87Å; K311-R314 VanDerWaalsContact O-N 3.09Å; K311-E315 WeakPolarHBondContact O-CG 3.2Å; K311-E315 PolarHBondContact O-N 3.29Å
312L96.9Very high96.4Very high75 Ų75100.1 Ų100.139%0.39350%0.497SS..Hα-helixtrans-62.2-36.4178.3-17464.7000111.6E308 E309 R316E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.37Å; E309-L312 PolarHBondContact O-N 3.25Å; L312-R316 WeakPolarHBondContact O-CB 3.09Å; L312-R316 WeakPolarHBondContact O-CD 3.21Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.75Å
313Q96.1Very high96.2Very high99 Ų99101.3 Ų101.346%0.46350%0.498SS..Hα-helixtrans-63.8-43.8172.5-75.1176.116.100112.1E309 E310 K311 R316 Q317E309-Q313 WeakPolarHBondContact O-CB 3.18Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.39Å; E309-Q313 PolarHBondContact O-N 3.49Å; E310-Q313 PolarHBondContact O-N 2.89Å; K311-Q313 VanDerWaalsContact C-N 3.26Å; K311-Q313 PolarHBondContact O-N 3.26Å; Q313-R316 PolarHBondContact O-N 3.17Å; Q313-Q317 WeakPolarHBondContact O-CG 3.26Å; Q313-Q317 PolarHBondContact O-N 3.49Å
314R95.6Very high96.2Very high115 Ų115101.8 Ų101.843%0.43450%0.495SS..Hα-helixtrans-62-46.9175.3-73.6-176.5-177.398.21.9111.9E310 K311 R316 Q317 E318E310-R314 VanDerWaalsContact CG-NH1 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 3.18Å; E310-R314 IonicContact OE1-NH1 3.32Å; E310-R314 PolarHBondContact OE1-NH1 3.14Å; E310-R314 IonicContact OE1-NH2 2.75Å; E310-R314 PolarHBondContact OE1-NH2 3.44Å; E310-R314 IonicContact OE2-CZ 3.38Å; E310-R314 IonicContact OE2-NH1 2.63Å; E310-R314 PolarHBondContact OE2-NH1 2.96Å; E310-R314 IonicContact OE2-NH2 3.76Å; E310-R314 PolarHBondContact OE2-NH2 2.79Å; K311-R314 WeakPolarHBondContact O-CB 3.44Å; K311-R314 PolarHBondContact O-N 2.87Å; K311-R314 VanDerWaalsContact O-N 3.09Å; R314-R316 VanDerWaalsContact C-N 3.29Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-Q317 WeakPolarHBondContact O-CB 3.41Å; R314-Q317 PolarHBondContact O-N 2.86Å; R314-Q317 VanDerWaalsContact O-N 3.08Å; R314-E318 WeakPolarHBondContact O-CG 3.45Å; R314-E318 PolarHBondContact O-N 3.23Å
315E95.7Very high96.1Very high113 Ų11398.5 Ų98.553%0.52849%0.486SS..Hα-helixtrans-59.8-39.9176.3-71.7177.3176.200111.8K311 E318 T319K311-E315 WeakPolarHBondContact O-CG 3.2Å; K311-E315 PolarHBondContact O-N 3.29Å; E315-E318 PolarHBondContact O-N 2.78Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 VanDerWaalsContact O-CG2 3.3Å; E315-T319 WeakPolarHBondContact O-CG2 3.31Å; E315-T319 PolarHBondContact O-N 3.43Å; E315-T319 PolarHBondContact O-OG1 3.34Å
316R95.8Very high96Very high138 Ų138101.8 Ų101.852%0.52149%0.494SS..Hα-helixtrans-63.6-41.4173.3-74.3168.9-176.7172.82112.3L312 Q313 R314 T319 Q320L312-R316 WeakPolarHBondContact O-CB 3.09Å; L312-R316 WeakPolarHBondContact O-CD 3.21Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.75Å; Q313-R316 PolarHBondContact O-N 3.17Å; R314-R316 VanDerWaalsContact C-N 3.29Å; R314-R316 PolarHBondContact O-N 3.24Å; R316-T319 VanDerWaalsContact CA-OG1 3.31Å; R316-T319 WeakPolarHBondContact CA-OG1 3.45Å; R316-T319 PolarHBondContact O-OG1 2.9Å; R316-Q320 WeakPolarHBondContact O-CB 3.49Å; R316-Q320 WeakPolarHBondContact O-CG 3.48Å; R316-Q320 PolarHBondContact O-N 2.83Å
317Q95.3Very high96Very high121 Ų121102.4 Ų102.457%0.56550%0.496SS*.Hα-helixtrans-66.6-41.3176.3-72.4173.912.700111.6Q313 R314 Q320 W321Q313-Q317 WeakPolarHBondContact O-CG 3.26Å; Q313-Q317 PolarHBondContact O-N 3.49Å; R314-Q317 WeakPolarHBondContact O-CB 3.41Å; R314-Q317 PolarHBondContact O-N 2.86Å; R314-Q317 VanDerWaalsContact O-N 3.08Å; Q317-Q320 PolarHBondContact O-N 3.22Å; Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.92Å
318E95.1Very high96Very high127 Ų127105.9 Ų105.959%0.59350%0.503SS*.Hα-helixtrans-64.6-46.2176.5-74179.9179.600111.5R314 E315 Q320 W321 V322R314-E318 WeakPolarHBondContact O-CG 3.45Å; R314-E318 PolarHBondContact O-N 3.23Å; E315-E318 PolarHBondContact O-N 2.78Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.1Å; E318-W321 PolarHBondContact O-N 3.27Å; E318-W321 VanDerWaalsContact O-N 3.16Å; E318-V322 VanDerWaalsContact O-CG2 3.32Å; E318-V322 WeakPolarHBondContact O-CG2 3.46Å; E318-V322 PolarHBondContact O-N 2.89Å
319T95.6Very high96Very high90 Ų90101.7 Ų101.755%0.55249%0.491SS*.Hα-helixtrans-62.3-39.3175.649.40000112.1E315 R316 V322 S323E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 VanDerWaalsContact O-CG2 3.3Å; E315-T319 WeakPolarHBondContact O-CG2 3.31Å; E315-T319 PolarHBondContact O-N 3.43Å; E315-T319 PolarHBondContact O-OG1 3.34Å; R316-T319 VanDerWaalsContact CA-OG1 3.31Å; R316-T319 WeakPolarHBondContact CA-OG1 3.45Å; R316-T319 PolarHBondContact O-OG1 2.9Å; T319-V322 PolarHBondContact O-N 3.47Å; T319-S323 WeakPolarHBondContact O-CB 3.41Å; T319-S323 PolarHBondContact O-N 3.4Å
320Q95.3Very high96Very high130 Ų130101 Ų10161%0.60749%0.487SS*.Hα-helixtrans-61.8-45.4171.4-75.1171.114.800111.8R316 Q317 E318 S323 E324R316-Q320 WeakPolarHBondContact O-CB 3.49Å; R316-Q320 WeakPolarHBondContact O-CG 3.48Å; R316-Q320 PolarHBondContact O-N 2.83Å; Q317-Q320 PolarHBondContact O-N 3.22Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.1Å; Q320-S323 PolarHBondContact O-N 3Å; Q320-E324 WeakPolarHBondContact O-CB 3.49Å; Q320-E324 PolarHBondContact O-N 3.2Å
321W94.5Very high96.1Very high173 Ų173102 Ų10266%0.65550%0.499SS*.Hα-helixtrans-63.5-42177.9178.386.2000112.2Q317 E318 E324 A325Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.92Å; E318-W321 PolarHBondContact O-N 3.27Å; E318-W321 VanDerWaalsContact O-N 3.16Å; W321-E324 PolarHBondContact O-N 3.05Å; W321-A325 WeakPolarHBondContact O-CB 2.83Å; W321-A325 PolarHBondContact O-N 3.39Å
322V96Very high96.2Very high64 Ų64101.5 Ų101.539%0.38850%0.502SS..Hα-helixtrans-62.7-45.6174.5172.70000110.1E318 T319 E324 A325 E326E318-V322 VanDerWaalsContact O-CG2 3.32Å; E318-V322 WeakPolarHBondContact O-CG2 3.46Å; E318-V322 PolarHBondContact O-N 2.89Å; T319-V322 PolarHBondContact O-N 3.47Å; V322-E324 VanDerWaalsContact C-N 3.31Å; V322-E324 PolarHBondContact O-N 2.91Å; V322-A325 PolarHBondContact O-N 2.89Å; V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CB 3.37Å; V322-E326 WeakPolarHBondContact O-CG 3.41Å; V322-E326 PolarHBondContact O-N 3.44Å
323S94.8Very high96.2Very high71 Ų71104.8 Ų104.850%0.49751%0.509SS..Hα-helixtrans-60.2-41.1176-176.60000112.1T319 Q320 E326 A327T319-S323 WeakPolarHBondContact O-CB 3.41Å; T319-S323 PolarHBondContact O-N 3.4Å; Q320-S323 PolarHBondContact O-N 3Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 3.34Å
324E96.6Very high96.3Very high95 Ų95104.4 Ų104.444%0.44451%0.513SS..Hα-helixtrans-65.6-42.2175.2-165-171.1161.900111.7Q320 W321 V322 A327 R328Q320-E324 WeakPolarHBondContact O-CB 3.49Å; Q320-E324 PolarHBondContact O-N 3.2Å; W321-E324 PolarHBondContact O-N 3.05Å; V322-E324 VanDerWaalsContact C-N 3.31Å; V322-E324 PolarHBondContact O-N 2.91Å; E324-A327 PolarHBondContact O-N 3.33Å; E324-R328 WeakPolarHBondContact O-CB 3.25Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.9Å; E324-R328 IonicContact OE1-CZ 3.22Å; E324-R328 IonicContact OE1-NE 2.98Å; E324-R328 PolarHBondContact OE1-NE 3.37Å; E324-R328 IonicContact OE1-NH2 2.65Å; E324-R328 PolarHBondContact OE1-NH2 2.77Å
325A96.1Very high96.4Very high38 Ų38104.5 Ų104.531%0.31452%0.517SS..Hα-helixtrans-63.5-41.7176.200000111.8W321 V322 R328 A329W321-A325 WeakPolarHBondContact O-CB 2.83Å; W321-A325 PolarHBondContact O-N 3.39Å; V322-A325 PolarHBondContact O-N 2.89Å; A325-R328 PolarHBondContact O-N 3.17Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.39Å
326E96.3Very high96.5Very high113 Ų113102 Ų10253%0.52852%0.515SS..Hα-helixtrans-63.4-44.8174.5-74.8179.3-179.800111.9V322 S323 R328 A329 Q330V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CB 3.37Å; V322-E326 WeakPolarHBondContact O-CG 3.41Å; V322-E326 PolarHBondContact O-N 3.44Å; S323-E326 PolarHBondContact O-N 3.18Å; E326-R328 PolarHBondContact O-N 2.84Å; E326-A329 PolarHBondContact O-N 2.84Å; E326-Q330 WeakPolarHBondContact O-CG 3.24Å; E326-Q330 PolarHBondContact O-N 3.31Å
327A96.4Very high96.6Very high47 Ų47101 Ų10139%0.38852%0.517SS..Hα-helixtrans-61.1-44.2175.100000111.3S323 E324 A329 Q330 V331S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 3.34Å; E324-A327 PolarHBondContact O-N 3.33Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A327-Q330 WeakPolarHBondContact O-CB 3.47Å; A327-Q330 PolarHBondContact O-N 3.41Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.45Å
328R97.4Very high96.8Very high157 Ų157100.4 Ų100.459%0.59252%0.517SS*.Hα-helixtrans-60.4-42.5174.2-72.7167177.3-118.25.7111.5E324 A325 E326 V331 L332E324-R328 WeakPolarHBondContact O-CB 3.25Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.9Å; E324-R328 IonicContact OE1-CZ 3.22Å; E324-R328 IonicContact OE1-NE 2.98Å; E324-R328 PolarHBondContact OE1-NE 3.37Å; E324-R328 IonicContact OE1-NH2 2.65Å; E324-R328 PolarHBondContact OE1-NH2 2.77Å; A325-R328 PolarHBondContact O-N 3.17Å; E326-R328 PolarHBondContact O-N 2.84Å; R328-V331 PolarHBondContact O-N 3.13Å; R328-L332 WeakPolarHBondContact O-CG 3.5Å; R328-L332 PolarHBondContact O-N 2.92Å
329A97.4Very high96.9Very high44 Ų4499.4 Ų99.436%0.36451%0.51SS..Hα-helixtrans-65.1-39176.200000112.3A325 E326 A327 L332 R333A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.39Å; E326-A329 PolarHBondContact O-N 2.84Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A329-L332 PolarHBondContact O-N 3.45Å; A329-R333 WeakPolarHBondContact O-CG 3.43Å; A329-R333 PolarHBondContact O-N 3.15Å
330Q97.3Very high97Very high109 Ų10997.1 Ų97.151%0.50950%0.5SS..Hα-helixtrans-61.3-46.1172.1-72.1177.113.300111.7E326 A327 L332 R333 V334E326-Q330 WeakPolarHBondContact O-CG 3.24Å; E326-Q330 PolarHBondContact O-N 3.31Å; A327-Q330 WeakPolarHBondContact O-CB 3.47Å; A327-Q330 PolarHBondContact O-N 3.41Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.3Å; Q330-R333 WeakPolarHBondContact O-CB 3.44Å; Q330-R333 PolarHBondContact O-N 3.16Å; Q330-R333 VanDerWaalsContact O-N 3.15Å; Q330-V334 WeakPolarHBondContact O-CG2 3.22Å; Q330-V334 PolarHBondContact O-N 3.08Å
331V97.8Very high97.1Very high98 Ų9896.5 Ų96.559%0.59450%0.498SS*.Hα-helixtrans-59.5-42.2176.3170.80000111.3A327 R328 K335A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.45Å; R328-V331 PolarHBondContact O-N 3.13Å; V331-K335 VanDerWaalsContact O-CB 3.27Å; V331-K335 WeakPolarHBondContact O-CB 3.39Å; V331-K335 PolarHBondContact O-N 2.99Å
332L98Very high97.3Very high115 Ų11593.9 Ų93.960%0.60249%0.492SS*.Hα-helixtrans-64.9-38.5176.5-71176000112.6R328 A329 Q330 K335 A336R328-L332 WeakPolarHBondContact O-CG 3.5Å; R328-L332 PolarHBondContact O-N 2.92Å; A329-L332 PolarHBondContact O-N 3.45Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.3Å; L332-K335 PolarHBondContact O-N 3.3Å; L332-A336 PolarHBondContact O-N 2.93Å
333R98.1Very high97.3Very high143 Ų14398.8 Ų98.854%0.5450%0.504SS..Hα-helixtrans-61.6-53174.2-76.1-176.4-76-165.1-3111.6A329 Q330 K335 A336 E337A329-R333 WeakPolarHBondContact O-CG 3.43Å; A329-R333 PolarHBondContact O-N 3.15Å; Q330-R333 WeakPolarHBondContact O-CB 3.44Å; Q330-R333 PolarHBondContact O-N 3.16Å; Q330-R333 VanDerWaalsContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.81Å; R333-A336 WeakPolarHBondContact O-CB 3.44Å; R333-A336 PolarHBondContact O-N 3.07Å; R333-E337 PolarHBondContact O-N 2.84Å
334V97.9Very high97.4Very high92 Ų92100.8 Ų100.856%0.55851%0.506SS*.Hα-helixtrans-59.7-38.3177.8174.40000111.2Q330 A336 E337 L338Q330-V334 WeakPolarHBondContact O-CG2 3.22Å; Q330-V334 PolarHBondContact O-N 3.08Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.23Å; V334-E337 PolarHBondContact O-N 2.79Å; V334-L338 WeakPolarHBondContact O-CB 3.4Å; V334-L338 PolarHBondContact O-N 3.12Å
335K98.1Very high97.5Very high117 Ų11799 Ų9951%0.50951%0.507SS..Hα-helixtrans-64.3-37.2175.5-173.3176-176.4174.90112.6V331 L332 R333 K339V331-K335 VanDerWaalsContact O-CB 3.27Å; V331-K335 WeakPolarHBondContact O-CB 3.39Å; V331-K335 PolarHBondContact O-N 2.99Å; L332-K335 PolarHBondContact O-N 3.3Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.81Å; K335-K339 WeakPolarHBondContact O-CG 3.11Å; K335-K339 PolarHBondContact O-N 2.96Å; K335-K339 VanDerWaalsContact O-N 3.12Å
336A97.8Very high97.5Very high60 Ų60101.7 Ų101.750%0.49652%0.515SS..Hα-helixtrans-69.2-41.7175.800000111.5L332 R333 V334 K339 A340L332-A336 PolarHBondContact O-N 2.93Å; R333-A336 WeakPolarHBondContact O-CB 3.44Å; R333-A336 PolarHBondContact O-N 3.07Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.23Å; A336-K339 PolarHBondContact O-N 3.05Å; A336-A340 PolarHBondContact O-N 3.19Å
337E97.8Very high97.6Very high118 Ų118102.5 Ų102.555%0.55152%0.519SS*.Hα-helixtrans-62.1-45.1174.1-70.6171-171.200111.7R333 V334 K339 A340 Q341R333-E337 PolarHBondContact O-N 2.84Å; V334-E337 PolarHBondContact O-N 2.79Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.47Å; E337-A340 WeakPolarHBondContact O-CA 3.33Å; E337-A340 WeakPolarHBondContact O-CB 3.28Å; E337-A340 PolarHBondContact O-N 2.91Å; E337-Q341 WeakPolarHBondContact O-CG 3.17Å; E337-Q341 PolarHBondContact O-N 3.29Å
338L98.1Very high97.7Very high108 Ų108105.8 Ų105.857%0.56553%0.529SS*.Hα-helixtrans-59-43.6176-177.465000111.5V334 A340 Q341 E342V334-L338 WeakPolarHBondContact O-CB 3.4Å; V334-L338 PolarHBondContact O-N 3.12Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.08Å; L338-Q341 PolarHBondContact O-N 3.42Å; L338-E342 WeakPolarHBondContact O-CB 3.49Å; L338-E342 PolarHBondContact O-N 3.25Å
339K98.2Very high97.7Very high105 Ų105102.9 Ų102.946%0.45752%0.522SS..Hα-helixtrans-64.5-34.5174.7-75178176.7-172.60112.7K335 A336 E337 R343K335-K339 WeakPolarHBondContact O-CG 3.11Å; K335-K339 PolarHBondContact O-N 2.96Å; K335-K339 VanDerWaalsContact O-N 3.12Å; A336-K339 PolarHBondContact O-N 3.05Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.47Å; K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.22Å; K339-R343 PolarHBondContact O-N 3.43Å; K339-R343 VanDerWaalsContact O-N 3.17Å
340A97.6Very high97.7Very high42 Ų42104 Ų10435%0.34753%0.528SS..Hα-helixtrans-68.7-42.8174.800000111.1A336 E337 L338 R343 Q344A336-A340 PolarHBondContact O-N 3.19Å; E337-A340 WeakPolarHBondContact O-CA 3.33Å; E337-A340 WeakPolarHBondContact O-CB 3.28Å; E337-A340 PolarHBondContact O-N 2.91Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.08Å; A340-R343 PolarHBondContact O-N 3.1Å; A340-Q344 WeakPolarHBondContact O-CG 3.34Å; A340-Q344 PolarHBondContact O-N 2.8Å
341Q97.1Very high97.7Very high118 Ų118101.9 Ų101.955%0.55153%0.525SS*.Hα-helixtrans-63-40.1173.9-72.6-178.2-6.300112E337 L338 R343 Q344 A345E337-Q341 WeakPolarHBondContact O-CG 3.17Å; E337-Q341 PolarHBondContact O-N 3.29Å; L338-Q341 PolarHBondContact O-N 3.42Å; Q341-R343 VanDerWaalsContact C-N 3.34Å; Q341-R343 PolarHBondContact O-N 3.46Å; Q341-Q344 PolarHBondContact O-N 3.21Å; Q341-A345 WeakPolarHBondContact O-CB 3.13Å; Q341-A345 PolarHBondContact O-N 2.63Å
342E97.8Very high97.7Very high117 Ų117100.7 Ų100.755%0.54752%0.52SS..Hα-helixtrans-59.6-44.1174.8-175.1179.5-168.300111.3L338 Q344 A345 I346L338-E342 WeakPolarHBondContact O-CB 3.49Å; L338-E342 PolarHBondContact O-N 3.25Å; E342-Q344 PolarHBondContact O-N 3.14Å; E342-A345 PolarHBondContact O-N 3.35Å; E342-I346 HydrophobicContact CG-CD1 4.15Å; E342-I346 VanDerWaalsContact O-CG1 3.28Å; E342-I346 WeakPolarHBondContact O-CG1 3.48Å; E342-I346 PolarHBondContact O-N 3.43Å
343R97.1Very high97.7Very high167 Ų167102.1 Ų102.163%0.6352%0.518SS*.Hα-helixtrans-62-43174.5-68.5166.8-174.3165.4-0.3112.1K339 A340 Q341 I346 Q347K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.22Å; K339-R343 PolarHBondContact O-N 3.43Å; K339-R343 VanDerWaalsContact O-N 3.17Å; A340-R343 PolarHBondContact O-N 3.1Å; Q341-R343 VanDerWaalsContact C-N 3.34Å; Q341-R343 PolarHBondContact O-N 3.46Å; R343-I346 PolarHBondContact O-N 2.76Å; R343-Q347 WeakPolarHBondContact O-CG 3Å; R343-Q347 PolarHBondContact O-N 3.36Å
344Q97Very high97.6Very high114 Ų11497.3 Ų97.353%0.53351%0.508SS..Hα-helixtrans-63.9-41.4176-71.5176.1-10.600111.6A340 Q341 E342 Q347 L348A340-Q344 WeakPolarHBondContact O-CG 3.34Å; A340-Q344 PolarHBondContact O-N 2.8Å; Q341-Q344 PolarHBondContact O-N 3.21Å; E342-Q344 PolarHBondContact O-N 3.14Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 3.43Å; Q344-L348 WeakPolarHBondContact O-CG 3.46Å; Q344-L348 PolarHBondContact O-N 3.06Å
345A97.5Very high97.6Very high56 Ų5696.9 Ų96.946%0.46351%0.505SS..Hα-helixtrans-61.9-44.8176.400000111.4Q341 E342 Q347 L348 E349Q341-A345 WeakPolarHBondContact O-CB 3.13Å; Q341-A345 PolarHBondContact O-N 2.63Å; E342-A345 PolarHBondContact O-N 3.35Å; A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.25Å; A345-L348 PolarHBondContact O-N 3.1Å; A345-E349 WeakPolarHBondContact O-CB 3.32Å; A345-E349 PolarHBondContact O-N 3.08Å
346I97.9Very high97.6Very high96 Ų9696.1 Ų96.149%0.49251%0.507SS..Hα-helixtrans-61.6-42174.9-66.8163.8000111.1E342 R343 E349 S350E342-I346 HydrophobicContact CG-CD1 4.15Å; E342-I346 VanDerWaalsContact O-CG1 3.28Å; E342-I346 WeakPolarHBondContact O-CG1 3.48Å; E342-I346 PolarHBondContact O-N 3.43Å; R343-I346 PolarHBondContact O-N 2.76Å; I346-E349 PolarHBondContact O-N 3.45Å; I346-S350 PolarHBondContact O-N 3.14Å
347Q97.9Very high97.6Very high129 Ų129100.9 Ų100.960%0.60351%0.512SS*.Hα-helixtrans-61.5-47.8175.7-75.7176.1-16.600111.7R343 Q344 A345 S350 S351R343-Q347 WeakPolarHBondContact O-CG 3Å; R343-Q347 PolarHBondContact O-N 3.36Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 3.43Å; A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.25Å; Q347-S350 PolarHBondContact O-N 2.85Å; Q347-S350 PolarHBondContact O-OG 3.21Å; Q347-S351 PolarHBondContact O-N 2.7Å
348L97.5Very high97.5Very high117 Ų11798.3 Ų98.361%0.61351%0.507SS*.Hα-helixtrans-62.2-42.3176.1-71.5174.1000111.7Q344 A345 S350 S351 C352Q344-L348 WeakPolarHBondContact O-CG 3.46Å; Q344-L348 PolarHBondContact O-N 3.06Å; A345-L348 PolarHBondContact O-N 3.1Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.4Å; L348-S351 WeakPolarHBondContact O-CB 3.31Å; L348-S351 PolarHBondContact O-N 2.82Å; L348-S351 VanDerWaalsContact O-N 3.13Å; L348-C352 PolarHBondContact O-N 3.46Å; L348-C352 PolarHBondContact O-SG 3.47Å; L348-C352 VanDerWaalsContact O-SG 3.38Å
349E97.9Very high97.5Very high95 Ų9598.5 Ų98.544%0.44451%0.508SS..Hα-helixtrans-60.8-42.5176.6-167.8-174.1172.200111.3A345 I346 S351 C352 R353A345-E349 WeakPolarHBondContact O-CB 3.32Å; A345-E349 PolarHBondContact O-N 3.08Å; I346-E349 PolarHBondContact O-N 3.45Å; E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 2.64Å; E349-C352 PolarHBondContact O-N 3.35Å; E349-R353 WeakPolarHBondContact O-CB 3.4Å; E349-R353 VanDerWaalsContact O-CG 3.27Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 3.01Å; E349-R353 IonicContact OE1-CZ 3.37Å; E349-R353 IonicContact OE1-NE 3.35Å; E349-R353 PolarHBondContact OE1-NE 2.85Å; E349-R353 IonicContact OE1-NH2 2.67Å; E349-R353 PolarHBondContact OE1-NH2 3.02Å
350S97.6Very high97.4Very high68 Ų6895.1 Ų95.148%0.47650%0.503SS..Hα-helixtrans-63.2-36.2175.578.30000112.8I346 Q347 L348 A354I346-S350 PolarHBondContact O-N 3.14Å; Q347-S350 PolarHBondContact O-N 2.85Å; Q347-S350 PolarHBondContact O-OG 3.21Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.4Å; S350-A354 PolarHBondContact O-N 3.37Å
351S97.9Very high97.4Very high65 Ų6599 Ų9946%0.45551%0.514SS..Hα-helixtrans-67.9-48.7174.8-176.80000111.2Q347 L348 E349 R353 A354 V355Q347-S351 PolarHBondContact O-N 2.7Å; L348-S351 WeakPolarHBondContact O-CB 3.31Å; L348-S351 PolarHBondContact O-N 2.82Å; L348-S351 VanDerWaalsContact O-N 3.13Å; E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 2.64Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 2.78Å; S351-A354 WeakPolarHBondContact O-CA 3.4Å; S351-A354 WeakPolarHBondContact O-CB 3.17Å; S351-A354 PolarHBondContact O-N 3.04Å; S351-V355 WeakPolarHBondContact O-CG2 3.42Å; S351-V355 PolarHBondContact O-N 3.48Å
352C96.9Very high97.3Very high73 Ų7396.2 Ų96.249%0.49351%0.508SS..Hα-helixtrans-55-48.8173.4-70.30000111.1L348 E349 A354 V355 D356L348-C352 PolarHBondContact O-N 3.46Å; L348-C352 PolarHBondContact O-SG 3.47Å; L348-C352 VanDerWaalsContact O-SG 3.38Å; E349-C352 PolarHBondContact O-N 3.35Å; C352-A354 PolarHBondContact O-N 2.84Å; C352-V355 CarbonylContact O-C 3.49Å; C352-V355 PolarHBondContact O-N 2.67Å; C352-V355 VanDerWaalsContact O-N 3.07Å; C352-D356 VanDerWaalsContact O-CG 3.32Å; C352-D356 PolarHBondContact O-N 3.4Å
353R97.6Very high97.3Very high145 Ų14593.3 Ų93.355%0.54750%0.501SS..Hα-helixtrans-60.6-28.8175.5-71.3177.3-174-163.24.1113.3E349 S351 R357E349-R353 WeakPolarHBondContact O-CB 3.4Å; E349-R353 VanDerWaalsContact O-CG 3.27Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 3.01Å; E349-R353 IonicContact OE1-CZ 3.37Å; E349-R353 IonicContact OE1-NE 3.35Å; E349-R353 PolarHBondContact OE1-NE 2.85Å; E349-R353 IonicContact OE1-NH2 2.67Å; E349-R353 PolarHBondContact OE1-NH2 3.02Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 2.78Å; R353-R357 WeakPolarHBondContact O-CG 3.13Å; R353-R357 PolarHBondContact O-N 3.27Å; R353-R357 PolarHBondContact O-NE 3.49Å
354A97.4Very high97.3Very high42 Ų4291.8 Ų91.835%0.34750%0.499SS..Hα-helixtrans-75.1-41.4174.400000111.4S350 S351 C352 R357 S358S350-A354 PolarHBondContact O-N 3.37Å; S351-A354 WeakPolarHBondContact O-CA 3.4Å; S351-A354 WeakPolarHBondContact O-CB 3.17Å; S351-A354 PolarHBondContact O-N 3.04Å; C352-A354 PolarHBondContact O-N 2.84Å; A354-R357 PolarHBondContact O-N 3.4Å; A354-S358 PolarHBondContact O-N 2.87Å
355V97.8Very high97.3Very high82 Ų8293 Ų9350%0.49750%0.502SS..Hα-helixtrans-63.9-42173.4178.30000111.4S351 C352 R357 S358 L359S351-V355 WeakPolarHBondContact O-CG2 3.42Å; S351-V355 PolarHBondContact O-N 3.48Å; C352-V355 CarbonylContact O-C 3.49Å; C352-V355 PolarHBondContact O-N 2.67Å; C352-V355 VanDerWaalsContact O-N 3.07Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 2.74Å; V355-S358 PolarHBondContact O-N 3.25Å; V355-S358 PolarHBondContact O-OG 2.6Å; V355-L359 VanDerWaalsContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CB 3.3Å; V355-L359 PolarHBondContact O-N 3.49Å
356D96.9Very high97.2Very high102 Ų10296 Ų9655%0.54551%0.509SS..Hα-helixtrans-61-38.8176-69-34.2000111.6C352 G360C352-D356 VanDerWaalsContact O-CG 3.32Å; C352-D356 PolarHBondContact O-N 3.4Å; D356-G360 PolarHBondContact O-N 2.77Å
357R97.3Very high97.1Very high160 Ų16096.6 Ų96.660%0.60451%0.51SS*.Hα-helixtrans-65.4-44.3174.2-79.1178.5-79.3149-7.9112.1R353 A354 V355 G360 Q361R353-R357 WeakPolarHBondContact O-CG 3.13Å; R353-R357 PolarHBondContact O-N 3.27Å; R353-R357 PolarHBondContact O-NE 3.49Å; A354-R357 PolarHBondContact O-N 3.4Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 2.74Å; R357-G360 PolarHBondContact O-N 3.02Å; R357-Q361 WeakPolarHBondContact O-CG 3.49Å; R357-Q361 PolarHBondContact O-N 3.08Å
358S97.3Very high97Very high64 Ų6494.3 Ų94.345%0.44850%0.502SS..Hα-helixtrans-68.9-37.8178.969.20000111.9A354 V355 Q361 S362A354-S358 PolarHBondContact O-N 2.87Å; V355-S358 PolarHBondContact O-N 3.25Å; V355-S358 PolarHBondContact O-OG 2.6Å; S358-Q361 PolarHBondContact O-N 3.33Å; S358-S362 WeakPolarHBondContact O-CB 3.26Å; S358-S362 PolarHBondContact O-N 2.83Å
359L96.9Very high97Very high112 Ų11293.6 Ų93.659%0.58650%0.497SS*.Hα-helixtrans-61.8-46.7171.9-177.865.2000110.9V355 Q361 S362 S363V355-L359 VanDerWaalsContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CB 3.3Å; V355-L359 PolarHBondContact O-N 3.49Å; L359-Q361 VanDerWaalsContact C-N 3.32Å; L359-Q361 PolarHBondContact O-N 3.28Å; L359-S362 PolarHBondContact O-N 3.29Å; L359-S363 WeakPolarHBondContact O-CB 3.26Å; L359-S363 PolarHBondContact O-N 2.96Å
360G96.3Very high96.9Very high34 Ų3493.8 Ų93.835%0.35150%0.498SS..Hα-helixtrans-59.7-39.917500000112.9D356 R357 K364D356-G360 PolarHBondContact O-N 2.77Å; R357-G360 PolarHBondContact O-N 3.02Å; G360-K364 WeakPolarHBondContact O-CG 3.21Å; G360-K364 PolarHBondContact O-N 3.07Å
361Q96.8Very high96.8Very high122 Ų12296.1 Ų96.157%0.5750%0.501SS*.Hα-helixtrans-65.6-43.6173.6-72.5174.14.400112.5R357 S358 L359 K364 K365R357-Q361 WeakPolarHBondContact O-CG 3.49Å; R357-Q361 PolarHBondContact O-N 3.08Å; S358-Q361 PolarHBondContact O-N 3.33Å; L359-Q361 VanDerWaalsContact C-N 3.32Å; L359-Q361 PolarHBondContact O-N 3.28Å; Q361-K364 PolarHBondContact O-N 3.28Å; Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 3.34Å
362S96.5Very high96.7Very high61 Ų6198 Ų9843%0.42750%0.503SS..Hα-helixtrans-63.1-42.9176.1-1740000111.6S358 L359 K364 K365 L366S358-S362 WeakPolarHBondContact O-CB 3.26Å; S358-S362 PolarHBondContact O-N 2.83Å; L359-S362 PolarHBondContact O-N 3.29Å; S362-K364 VanDerWaalsContact C-N 3.33Å; S362-K364 PolarHBondContact O-N 2.95Å; S362-K365 PolarHBondContact O-N 3.13Å; S362-L366 WeakPolarHBondContact O-CG 3.32Å; S362-L366 PolarHBondContact O-N 2.89Å
363S96.5Very high96.5Very high56 Ų5698.9 Ų98.939%0.39250%0.502SS..Hα-helixtrans-61-39.5175.5-173.40000112.3L359 L366 Q367L359-S363 WeakPolarHBondContact O-CB 3.26Å; L359-S363 PolarHBondContact O-N 2.96Å; S363-L366 PolarHBondContact O-N 3.19Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 3Å
364K96.8Very high96.4Very high135 Ų13596.3 Ų96.359%0.58750%0.496SS*.Hα-helixtrans-63.8-49.1174-74.5175.7-178.8-174.10111.5G360 Q361 S362 L366 Q367 D368G360-K364 WeakPolarHBondContact O-CG 3.21Å; G360-K364 PolarHBondContact O-N 3.07Å; Q361-K364 PolarHBondContact O-N 3.28Å; S362-K364 VanDerWaalsContact C-N 3.33Å; S362-K364 PolarHBondContact O-N 2.95Å; K364-L366 VanDerWaalsContact C-N 3.26Å; K364-L366 PolarHBondContact O-N 3.31Å; K364-Q367 CarbonylContact O-C 3.5Å; K364-Q367 WeakPolarHBondContact O-CA 3.27Å; K364-Q367 WeakPolarHBondContact O-CB 3.16Å; K364-Q367 PolarHBondContact O-N 2.79Å; K364-D368 VanDerWaalsContact O-CG 3.28Å; K364-D368 PolarHBondContact O-N 3.17Å
365K97.1Very high96.3Very high140 Ų14099.9 Ų99.961%0.60951%0.506SS*.Hα-helixtrans-57.4-39.9175.5-69.5176.5-178.9-1780112.3Q361 S362 Q367 D368 M369Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 3.34Å; S362-K365 PolarHBondContact O-N 3.13Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-D368 PolarHBondContact O-N 2.82Å; K365-M369 WeakPolarHBondContact O-CB 3.36Å; K365-M369 VanDerWaalsContact O-CG 3.24Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.42Å
366L95.6Very high96.1Very high117 Ų117100.7 Ų100.761%0.61351%0.507SS*.Hα-helixtrans-64.1-38.8174.3-78.6170.4000112.1S362 S363 K364 Q370S362-L366 WeakPolarHBondContact O-CG 3.32Å; S362-L366 PolarHBondContact O-N 2.89Å; S363-L366 PolarHBondContact O-N 3.19Å; K364-L366 VanDerWaalsContact C-N 3.26Å; K364-L366 PolarHBondContact O-N 3.31Å; L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.49Å; L366-Q370 PolarHBondContact O-N 3.41Å
367Q96.6Very high95.9Very high110 Ų11098.7 Ų98.751%0.51450%0.498SS..Hα-helixtrans-65.2-43.1173.4-73.9172.9-7.200111.9S363 K364 K365 Q370 Q371S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 3Å; K364-Q367 CarbonylContact O-C 3.5Å; K364-Q367 WeakPolarHBondContact O-CA 3.27Å; K364-Q367 WeakPolarHBondContact O-CB 3.16Å; K364-Q367 PolarHBondContact O-N 2.79Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-Q370 WeakPolarHBondContact O-CB 3.17Å; Q367-Q370 PolarHBondContact O-N 3.29Å; Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.72Å
368D96.5Very high95.8Very high81 Ų8197.7 Ų97.743%0.43350%0.498SS..Hα-helixtrans-62.8-48.6177.6-59.3-26.8000110.5K364 K365 Q370 Q371 E372K364-D368 VanDerWaalsContact O-CG 3.28Å; K364-D368 PolarHBondContact O-N 3.17Å; K365-D368 PolarHBondContact O-N 2.82Å; D368-Q370 VanDerWaalsContact C-N 3.26Å; D368-Q370 PolarHBondContact O-N 2.79Å; D368-Q371 WeakPolarHBondContact O-CB 3.39Å; D368-Q371 PolarHBondContact O-N 3.46Å; D368-Q371 VanDerWaalsContact O-N 3.08Å; D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.91Å
369M96.2Very high95.5Very high101 Ų10198.6 Ų98.650%0.49850%0.496SS..Hα-helixtrans-58-37.4173.4-72.2-65-47.200112.1K365 E372 L373K365-M369 WeakPolarHBondContact O-CB 3.36Å; K365-M369 VanDerWaalsContact O-CG 3.24Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.42Å; M369-E372 PolarHBondContact O-N 3.05Å; M369-L373 WeakPolarHBondContact O-CB 3.25Å; M369-L373 VanDerWaalsContact O-CG 3.28Å; M369-L373 WeakPolarHBondContact O-CG 3.1Å; M369-L373 PolarHBondContact O-N 3.2Å
370Q95.4Very high95.2Very high99 Ų9998.2 Ų98.246%0.46349%0.493SS..Hα-helixtrans-65.8-41.7175.5177.662.430.300111.4L366 Q367 D368 L373 E374L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.49Å; L366-Q370 PolarHBondContact O-N 3.41Å; Q367-Q370 WeakPolarHBondContact O-CB 3.17Å; Q367-Q370 PolarHBondContact O-N 3.29Å; D368-Q370 VanDerWaalsContact C-N 3.26Å; D368-Q370 PolarHBondContact O-N 2.79Å; Q370-L373 PolarHBondContact O-N 2.73Å; Q370-E374 PolarHBondContact NE2-OE1 3.07Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 2.74Å
371Q95.6Very high94.9Very high117 Ų117104.9 Ų104.955%0.54751%0.508SS..Hα-helixtrans-65.6-41.4175-69.7173.216.200111.8Q367 D368 E374 Q375Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.72Å; D368-Q371 WeakPolarHBondContact O-CB 3.39Å; D368-Q371 PolarHBondContact O-N 3.46Å; D368-Q371 VanDerWaalsContact O-N 3.08Å; Q371-E374 WeakPolarHBondContact O-CB 3.16Å; Q371-E374 PolarHBondContact O-N 2.92Å; Q371-Q375 WeakPolarHBondContact O-CB 3.26Å; Q371-Q375 PolarHBondContact O-N 3.32Å
372E95.8Very high94.6Very high106 Ų106105.2 Ų105.250%0.49551%0.51SS..Hα-helixtrans-60.6-44.8173-72.2177.6-174.800111.3D368 M369 E374 Q375 L376D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.91Å; M369-E372 PolarHBondContact O-N 3.05Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.85Å; E372-Q375 PolarHBondContact O-N 2.66Å; E372-L376 WeakPolarHBondContact O-CB 3.25Å; E372-L376 WeakPolarHBondContact O-CG 3.3Å; E372-L376 PolarHBondContact O-N 2.91Å
373L94.2Very high94.2Very high91 Ų91106 Ų10648%0.47651%0.512SS..Hα-helixtrans-61.3-41.4174.1-77.1176.3000111.9M369 Q370 Q375 T377M369-L373 WeakPolarHBondContact O-CB 3.25Å; M369-L373 VanDerWaalsContact O-CG 3.28Å; M369-L373 WeakPolarHBondContact O-CG 3.1Å; M369-L373 PolarHBondContact O-N 3.2Å; Q370-L373 PolarHBondContact O-N 2.73Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; L373-T377 VanDerWaalsContact O-CB 3.25Å; L373-T377 WeakPolarHBondContact O-CB 3.13Å; L373-T377 PolarHBondContact O-N 2.64Å; L373-T377 PolarHBondContact O-OG1 3.23Å
374E94.4Very high93.7Very high91 Ų91107.2 Ų107.243%0.42551%0.514SS..Hα-helixtrans-63.3-38.3174.4-76171.4-162.500111.7Q370 Q371 E372 T377 K378Q370-E374 PolarHBondContact NE2-OE1 3.07Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 2.74Å; Q371-E374 WeakPolarHBondContact O-CB 3.16Å; Q371-E374 PolarHBondContact O-N 2.92Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.85Å; E374-T377 PolarHBondContact O-N 2.8Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.25Å; E374-K378 PolarHBondContact O-N 2.84Å
375Q95.2Very high93.2Very high116 Ų116105.7 Ų105.754%0.54251%0.512SS..Hα-helixtrans-68.6-48.1175.9-176.2160.2-13.300112.1Q371 E372 L373 T377 K378 E379Q371-Q375 WeakPolarHBondContact O-CB 3.26Å; Q371-Q375 PolarHBondContact O-N 3.32Å; E372-Q375 PolarHBondContact O-N 2.66Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-T377 PolarHBondContact O-N 3.15Å; Q375-K378 CarbonylContact O-C 3.59Å; Q375-K378 WeakPolarHBondContact O-CA 3.39Å; Q375-K378 WeakPolarHBondContact O-CB 3.43Å; Q375-K378 PolarHBondContact O-N 3.36Å; Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 2.99Å
376L93.8Very high92.5Very high100 Ų100104.2 Ų104.252%0.52451%0.507SS..Hα-helixtrans-60.1-34.6172.6-71.9172.7000111.5E372 E379 L380E372-L376 WeakPolarHBondContact O-CB 3.25Å; E372-L376 WeakPolarHBondContact O-CG 3.3Å; E372-L376 PolarHBondContact O-N 2.91Å; L376-E379 PolarHBondContact O-N 3.49Å; L376-L380 WeakPolarHBondContact O-CB 3.18Å; L376-L380 PolarHBondContact O-N 3.32Å
377T93.3Very high91.8Very high59 Ų59103 Ų10336%0.36250%0.498SS..Hα-helixtrans-66.9-39.2173.6-59.90000111.2L373 E374 Q375 R381L373-T377 VanDerWaalsContact O-CB 3.25Å; L373-T377 WeakPolarHBondContact O-CB 3.13Å; L373-T377 PolarHBondContact O-N 2.64Å; L373-T377 PolarHBondContact O-OG1 3.23Å; E374-T377 PolarHBondContact O-N 2.8Å; Q375-T377 PolarHBondContact O-N 3.15Å; T377-R381 WeakPolarHBondContact O-CB 3.49Å; T377-R381 VanDerWaalsContact O-CG 3.23Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 2.9Å
378K94.3Very high91Very high139 Ų139103.9 Ų103.960%0.60450%0.5SS*.Hα-helixtrans-64.2-46.2173-71166.8-173.7172.30111E374 Q375 R381 Q382E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.25Å; E374-K378 PolarHBondContact O-N 2.84Å; Q375-K378 CarbonylContact O-C 3.59Å; Q375-K378 WeakPolarHBondContact O-CA 3.39Å; Q375-K378 WeakPolarHBondContact O-CB 3.43Å; Q375-K378 PolarHBondContact O-N 3.36Å; K378-R381 WeakPolarHBondContact O-CB 3.25Å; K378-R381 PolarHBondContact O-N 3.45Å; K378-Q382 WeakPolarHBondContact O-CB 3.28Å; K378-Q382 PolarHBondContact O-N 2.91Å
379E92.9Very high89.9Confident84 Ų84105 Ų10539%0.39351%0.505SS..Hα-helixtrans-62.6-43.7176.3-71176.2-169.800111.6Q375 L376 R381 Q382 V383Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 2.99Å; L376-E379 PolarHBondContact O-N 3.49Å; E379-R381 PolarHBondContact O-N 3.33Å; E379-Q382 CarbonylContact O-C 3.6Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.36Å; E379-Q382 PolarHBondContact O-N 3.5Å; E379-Q382 VanDerWaalsContact O-N 3.11Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.89Å
380L90Very high88.6Confident103 Ų103107.3 Ų107.354%0.53952%0.515SS..Hα-helixtrans-61.6-43.6174.8-179.766000111.1L376 Q382 V383 N384L376-L380 WeakPolarHBondContact O-CB 3.18Å; L376-L380 PolarHBondContact O-N 3.32Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.22Å; L380-V383 PolarHBondContact O-N 3.48Å; L380-N384 WeakPolarHBondContact O-CB 3.41Å; L380-N384 VanDerWaalsContact O-CG 3.25Å; L380-N384 PolarHBondContact O-N 2.83Å; L380-N384 PolarHBondContact O-ND2 3.01Å
381R90.6Very high87.1Confident175 Ų175109.7 Ų109.766%0.6653%0.526SS*.Hα-helixtrans-61.2-39.8172.8-75175-168.8174.15.7111.3T377 K378 E379 L385T377-R381 WeakPolarHBondContact O-CB 3.49Å; T377-R381 VanDerWaalsContact O-CG 3.23Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 2.9Å; K378-R381 WeakPolarHBondContact O-CB 3.25Å; K378-R381 PolarHBondContact O-N 3.45Å; E379-R381 PolarHBondContact O-N 3.33Å; R381-L385 VanDerWaalsContact O-CB 3.22Å; R381-L385 WeakPolarHBondContact O-CB 3.36Å; R381-L385 PolarHBondContact O-N 3.36Å
382Q90.4Very high85.3Confident128 Ų128108.5 Ų108.560%0.59853%0.527SS*.Hα-helixtrans-66.1-46.4177.2-176.6-178.92.700111.8K378 E379 L380 L385 Q386K378-Q382 WeakPolarHBondContact O-CB 3.28Å; K378-Q382 PolarHBondContact O-N 2.91Å; E379-Q382 CarbonylContact O-C 3.6Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.36Å; E379-Q382 PolarHBondContact O-N 3.5Å; E379-Q382 VanDerWaalsContact O-N 3.11Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.22Å; Q382-L385 CarbonylContact O-C 3.54Å; Q382-L385 PolarHBondContact O-N 2.83Å; Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.46Å; Q382-Q386 PolarHBondContact O-N 2.83Å
383V87.5Confident83Confident78 Ų78105.9 Ų105.947%0.47353%0.529SS..Hα-helixtrans-64.5-43.7175.6172.20000110.4E379 L380 L385 Q386 Q387E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.89Å; L380-V383 PolarHBondContact O-N 3.48Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.31Å; V383-Q386 CarbonylContact O-C 3.54Å; V383-Q386 PolarHBondContact O-N 2.92Å; V383-Q386 VanDerWaalsContact O-N 3.16Å; V383-Q387 VanDerWaalsContact O-CB 3.3Å; V383-Q387 WeakPolarHBondContact O-CB 3.32Å; V383-Q387 PolarHBondContact O-N 2.86Å
384N86.5Confident80.3Confident82 Ų82107.9 Ų107.944%0.43955%0.545SS..Hα-helixtrans-60.7-42174.1-79.8-24.6000111.5L380 Q387 F388L380-N384 WeakPolarHBondContact O-CB 3.41Å; L380-N384 VanDerWaalsContact O-CG 3.25Å; L380-N384 PolarHBondContact O-N 2.83Å; L380-N384 PolarHBondContact O-ND2 3.01Å; N384-Q387 PolarHBondContact O-N 3.35Å; N384-F388 VanDerWaalsContact O-CB 3.28Å; N384-F388 WeakPolarHBondContact O-CB 3.5Å; N384-F388 PolarHBondContact O-N 3.45Å
385L85.9Confident77.7Confident103 Ų103112.4 Ų112.454%0.53956%0.563SS.*Hα-helixtrans-64.5-40173.9-179.665.6000111.3R381 Q382 V383 F388 I389R381-L385 VanDerWaalsContact O-CB 3.22Å; R381-L385 WeakPolarHBondContact O-CB 3.36Å; R381-L385 PolarHBondContact O-N 3.36Å; Q382-L385 CarbonylContact O-C 3.54Å; Q382-L385 PolarHBondContact O-N 2.83Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.31Å; L385-F388 WeakPolarHBondContact O-CB 3.32Å; L385-F388 PolarHBondContact O-N 2.79Å; L385-I389 HydrophobicContact CG-CD1 4.14Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 2.88Å
386Q82.5Confident74.9Confident109 Ų109112.7 Ų112.751%0.50957%0.572SS.*Hα-helixtrans-68.7-38.4177.3-167.4175.92400111.8Q382 V383 I389 Q390Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.46Å; Q382-Q386 PolarHBondContact O-N 2.83Å; V383-Q386 CarbonylContact O-C 3.54Å; V383-Q386 PolarHBondContact O-N 2.92Å; V383-Q386 VanDerWaalsContact O-N 3.16Å; Q386-I389 PolarHBondContact O-N 2.89Å; Q386-Q390 PolarHBondContact O-N 3.02Å
387Q80.9Confident72.2Confident91 Ų91113.7 Ų113.743%0.42558%0.583SS.*Hα-helixtrans-67-39.6172.8-171.2177.2700110.4V383 N384 Q390 Q391V383-Q387 VanDerWaalsContact O-CB 3.3Å; V383-Q387 WeakPolarHBondContact O-CB 3.32Å; V383-Q387 PolarHBondContact O-N 2.86Å; N384-Q387 PolarHBondContact O-N 3.35Å; Q387-Q390 PolarHBondContact O-N 2.99Å; Q387-Q391 HydrophobicContact CG-CG 4.39Å; Q387-Q391 VanDerWaalsContact O-CB 3.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.46Å; Q387-Q391 VanDerWaalsContact O-CG 3.28Å; Q387-Q391 WeakPolarHBondContact O-CG 3.49Å; Q387-Q391 PolarHBondContact O-N 3.42Å
388F79.8Confident69.4Low128 Ų128117.1 Ų117.156%0.56160%0.603SS**Hα-helixtrans-59.2-49.1169.6-178.5-98.4000110.1N384 L385 Q390 Q391 T392N384-F388 VanDerWaalsContact O-CB 3.28Å; N384-F388 WeakPolarHBondContact O-CB 3.5Å; N384-F388 PolarHBondContact O-N 3.45Å; L385-F388 WeakPolarHBondContact O-CB 3.32Å; L385-F388 PolarHBondContact O-N 2.79Å; F388-Q390 PolarHBondContact O-N 3.31Å; F388-Q391 PolarHBondContact O-N 2.88Å; F388-T392 WeakPolarHBondContact O-CB 3.28Å; F388-T392 PolarHBondContact O-N 3.26Å; F388-T392 PolarHBondContact O-OG1 2.92Å
389I72Confident66.4Low104 Ų104118.8 Ų118.853%0.53362%0.618SS.*Hα-helixtrans-60.1-40.8176.4-68.8162.9000112L385 Q386 T392 G393L385-I389 HydrophobicContact CG-CD1 4.14Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 2.88Å; Q386-I389 PolarHBondContact O-N 2.89Å; I389-T392 CarbonylContact O-C 3.53Å; I389-T392 PolarHBondContact O-N 3.47Å; I389-G393 VanDerWaalsContact O-CA 3.23Å; I389-G393 WeakPolarHBondContact O-CA 3.24Å; I389-G393 PolarHBondContact O-N 2.97Å; I389-G393 VanDerWaalsContact O-N 3.13Å
390Q69Low63.9Low150 Ų150119.7 Ų119.770%0.70163%0.631SS**Hα-helixtrans-67.5-45.3176.1-87.8-178.1500112.8Q386 Q387 F388 T392 G393Q386-Q390 PolarHBondContact O-N 3.02Å; Q387-Q390 PolarHBondContact O-N 2.99Å; F388-Q390 PolarHBondContact O-N 3.31Å; Q390-T392 PolarHBondContact O-N 2.82Å; Q390-G393 PolarHBondContact O-N 3.34Å
391Q65.8Low61Low149 Ų149119.9 Ų119.970%0.69665%0.648SS**Hα-helixtrans-68.4-25.8177.4-71.5179.2-7.700112.1Q387 F388Q387-Q391 HydrophobicContact CG-CG 4.39Å; Q387-Q391 VanDerWaalsContact O-CB 3.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.46Å; Q387-Q391 VanDerWaalsContact O-CG 3.28Å; Q387-Q391 WeakPolarHBondContact O-CG 3.49Å; Q387-Q391 PolarHBondContact O-N 3.42Å; F388-Q391 PolarHBondContact O-N 2.88Å
392T56.1Low58Low92 Ų92120.2 Ų120.256%0.56466%0.657SS**THydrogen-bonded Turntrans-101.217.6179.4-30.10000112.3F388 I389 Q390F388-T392 WeakPolarHBondContact O-CB 3.28Å; F388-T392 PolarHBondContact O-N 3.26Å; F388-T392 PolarHBondContact O-OG1 2.92Å; I389-T392 CarbonylContact O-C 3.53Å; I389-T392 PolarHBondContact O-N 3.47Å; Q390-T392 PolarHBondContact O-N 2.82Å
393G47.4Very low56.1Low52 Ų52118.1 Ų118.154%0.53665%0.654SS.*  trans-11523.4-158.300000119.7I389 Q390I389-G393 VanDerWaalsContact O-CA 3.23Å; I389-G393 WeakPolarHBondContact O-CA 3.24Å; I389-G393 PolarHBondContact O-N 2.97Å; I389-G393 VanDerWaalsContact O-N 3.13Å; Q390-G393 PolarHBondContact O-N 3.34Å
394T37.7Very low53.4Low132 Ų132119.6 Ų119.681%0.8166%0.663SS**SBendtrans-107.598.2153.6-53.60000108.1
395K40.3Very low50.8Low186 Ų186122.9 Ų122.981%0.80968%0.676SS**  trans59.5146.4166.5-57.8-176.4175.5179.20118.9
396V35.8Very low48.3Very low122 Ų122126.3 Ų126.374%0.73969%0.69SS**  trans113.697.8141.4-173.70000115.7
397T38.3Very low45.9Very low121 Ų121129.4 Ų129.474%0.74271%0.71SS**  trans75.697.3137.961.20000120.8
398V33.3Very low43.4Very low132 Ų132130.7 Ų130.780%0.873%0.727SS**  11.8115.1115.4-164.10000116.6
399L31.2Very low41Very low173 Ų173128.3 Ų128.391%0.90673%0.731SS**  -150.6127.3127.1-101.1172.7000109.1
400P40.6Very low39Very low104 Ų104130.8 Ų130.868%0.67575%0.746SS**  trans-100.1147.8-176.635.9-29.4000112.9
401A28.4Very low36.9Very low107 Ų107128.7 Ų128.788%0.88475%0.747SS**  trans-153.292.1150.500000108.6
402E29.4Very low35.2Very low181 Ų181127 Ų12785%0.84675%0.752SS**  trans-77.5179.4156-90.3-153166.300109.9
403P50Low34Very low85 Ų85128.3 Ų128.355%0.55277%0.765SS**  -141.4-161.1-54.641.4-21.6000110.1
404T29.8Very low33.3Very low108 Ų108129.6 Ų129.666%0.66378%0.778SS**  trans65.5151.6148.455.40000118.9
405E31.6Very low33.2Very low152 Ų152128.7 Ų128.771%0.7178%0.777SS**  cis-158.8139.39-115.8148.4-134.600104.7
406E35Very low32.9Very low175 Ų175126.9 Ų126.982%0.81878%0.777SS**  43.3115.4102.8-59.2-165.4163.900114.8
407D31.6Very low33.1Very low174 Ų174129.1 Ų129.193%0.9378%0.783SS**  trans-139.9120.6140-103.7-29.6000110
408C28.6Very low33.2Very low117 Ų117127.9 Ų127.979%0.79179%0.786SS**  trans-74.7161.8163.7-81.90000110.6
409A29.5Very low33.2Very low78 Ų78126.3 Ų126.365%0.64579%0.786SS**  trans108.4126.4138.100000119.4
410N28.9Very low33.9Very low157 Ų157125.6 Ų125.684%0.8478%0.783SS**  trans85128.4145.6-54.9-22.4000116.7
411S26.5Very low33.8Very low105 Ų105127.3 Ų127.373%0.73479%0.791SS**  cis-171.3151.129.543.60000112.4
412S29Very low34.1Very low115 Ų115125.5 Ų125.580%0.80478%0.783SS**  trans59.8132.1154.965.60000118.9
413S31.1Very low34.7Very low119 Ų119122 Ų12283%0.83278%0.778SS**  cis-156.2155.228.549.90000110.5
414G31.6Very low34.2Very low79 Ų79125.2 Ų125.281%0.81479%0.79SS**  trans-69165.6-166.200000117.5
415S36Very low34.5Very low113 Ų113130 Ų13079%0.7980%0.802SS**  -174.4120.4104-157.60000110.5
416D35.2Very low35.1Very low148 Ų148134.3 Ų134.379%0.79181%0.812SS**  trans36.4120.3143.1-71.3-11.6000124
417L39.8Very low35.6Very low169 Ų169131.5 Ų131.589%0.88581%0.809SS**  81.7122.4126.7-130.777.9000121.1
418A39.1Very low35.6Very low95 Ų95129.9 Ų129.979%0.78580%0.804SS**  trans-59.5143.6176.700000114.7
419A34.5Very low36.3Very low99 Ų99129.4 Ų129.482%0.81880%0.802SS**  -174.5132.294.900000111.2
420L45.6Very low36.6Very low158 Ų158131.8 Ų131.883%0.82781%0.809SS**  trans-60.6151.9169.3-58.1155.8000109.2
421T38.6Very low37.1Very low139 Ų139133 Ų13385%0.85381%0.81SS**  171.7156.467.825.60000108.9
422G35Very low38.6Very low70 Ų70133 Ų13372%0.72281%0.808SS**  trans106.775.2144.700000114.8
423S40.6Very low39Very low106 Ų106133.9 Ų133.974%0.74181%0.808SS**  78.8110.480.7-163.60000114.8
424L40.8Very low39.3Very low153 Ų153133 Ų13380%0.80180%0.801SS**  trans71.298.1150-65.8164.1000119.2
425K36.4Very low39.4Very low208 Ų208133.6 Ų133.690%0.90479%0.793SS**  -169.6128.6107.1-96.2168.9-174.2-176.60111.2
426R43.5Very low39.8Very low244 Ų244136.8 Ų136.892%0.92180%0.795SS**  trans-75.4175.9167.9-67.1-178-175.4157.50.9110.5
427P46Very low40.2Very low116 Ų116137 Ų13775%0.75380%0.796SS**  -123.9166.7-59.535-19.5000110.9
428V30.9Very low40.4Very low139 Ų139139.1 Ų139.184%0.84279%0.792SS**  trans-71.4131.2165170.70000109.3
429S43.8Very low40.4Very low107 Ų107140.4 Ų140.475%0.74879%0.789SS**  trans-152.8104.4148.7176.40000108.3
430T34.8Very low40.7Very low128 Ų128143.9 Ų143.979%0.78579%0.793SS**  trans-146.6101.9166.438.40000110.9
431Q39.9Very low40.3Very low182 Ų182140.4 Ų140.485%0.8579%0.788SS**  trans-154.7159.8133.3-82.6-161.5-7.400106.5
432P57.9Low40.3Very low107 Ų107140.5 Ų140.570%0.69578%0.783SS**  cis-133.2-176.8-37.330.9-10.1000112.3
433V38Very low41Very low133 Ų133143.4 Ų143.481%0.80679%0.789SS**  trans72.2124158.6-142.50000120.9
434S36.2Very low41.1Very low99 Ų99145.8 Ų145.869%0.69279%0.793SS**  139.4124.2110.5-158.10000117.8
435S34.2Very low40.9Very low92 Ų92143.8 Ų143.864%0.64379%0.792SS**  trans64.6108.9137.561.10000123.1
436H44.6Very low41Very low181 Ų181139.9 Ų139.984%0.83879%0.791SS**  43.8128.4123.2-77.8-77.5000121.9
437L42.9Very low40.7Very low152 Ų152131.3 Ų131.380%0.79678%0.778SS**  -166.8110.7123.9-82.4-170.6000108.4
438R44.3Very low40.5Very low214 Ų214133.4 Ų133.481%0.80878%0.782SS**  66.2109.595.7-84.1-159.7-102.8-158.1-4.8117.6
439V38.9Very low41.3Very low121 Ų121134.7 Ų134.773%0.73378%0.784SS**  68.9112.5128.4-174.80000119.8
440L41.7Very low41.9Very low172 Ų172134.7 Ų134.790%0.90178%0.781SS**  trans-141.8105.3134.6-72.5177.4000106.2
441A37.2Very low42.5Very low86 Ų86138 Ų13871%0.71179%0.788SS**  89.911589.600000112.8
442N39.6Very low42.6Very low140 Ų140132.3 Ų132.375%0.74978%0.778SS**  trans-59.2170173.4-74-11.1000112.8
443P48.3Very low42.1Very low131 Ų131135.2 Ų135.285%0.85179%0.786SS**  -130.3149.799.336.3-27.9000114.7
444L43.3Very low42.2Very low156 Ų156139.5 Ų139.582%0.81779%0.79SS**  trans-77.6138.2166.7-71.6155.3000110.4
445S35.6Very low42.4Very low112 Ų112144.7 Ų144.778%0.78382%0.817SS**  trans-172.9104.613936.30000107.5
446S38.3Very low42.8Very low126 Ų126147.4 Ų147.488%0.88183%0.825SS**  66.1117.282.3179.40000112.3
447G37.2Very low42.7Very low63 Ų63145.6 Ų145.665%0.64983%0.825SS**  trans15773.6160.400000115.4
448L43.1Very low42.7Very low161 Ų161145.2 Ų145.284%0.84383%0.826SS**  trans54.5106.8132.7-65.1155.8000118.1P450L448-P450 WeakPolarHBondContact O-CD 3.49Å
449N47.5Very low42.6Very low166 Ų166141.2 Ų141.289%0.88883%0.827SS**  trans-57.6131.3135.5-88.6-42.7000109.6
450P55.9Low42.9Very low106 Ų106142.4 Ų142.469%0.68883%0.833SS**  trans-118121.9152.430.8-13.9000110.1L448L448-P450 WeakPolarHBondContact O-CD 3.49Å
451E48Very low43Very low198 Ų198140.5 Ų140.593%0.92583%0.829SS**  trans77.4122155.2-52.1-160.4168.100119.5
452G42Very low43.4Very low63 Ų63144.4 Ų144.465%0.64984%0.837SS**  trans171.147.2171.800000114.1
453I46.7Very low43.7Very low167 Ų167144.7 Ų144.786%0.85684%0.844SS**  trans20.5110.9151.6-53.3168.9000116.6
454Y40.2Very low43.3Very low224 Ų224145.8 Ų145.888%0.87884%0.843SS**  trans-121.3129.2150-89.1-94000108.5
455V41.5Very low43.3Very low208 Ų208144.9 Ų144.9100%1.26185%0.846SS**  trans60164.6-171.30000118.1

Retrieved 455 of 455 residues in 192.8 ms (Link to these results)