A0A077YVW9_TRITR Loading...

PPP4R2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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
1M39.4Very low77.1Confident238 Ų23895.1 Ų95.1100%1.17250%0.495SS*.  0104.90-139.8164.190.500104.6Q3M1-Q3 PolarHBondContact O-N 3.14Å
2V52.3Low78.7Confident82 Ų8296.6 Ų96.650%0.49750%0.498SS..  trans-69116.5179.2178.40000105.9N4 A44V2-N4 PolarHBondContact O-N 3.27Å; V2-A44 HydrophobicContact CB-CB 4.29Å; V2-A44 HydrophobicContact CG1-CB 3.54Å; V2-A44 HydrophobicContact CG2-CB 3.8Å
3Q55.1Low80Confident142 Ų14289.5 Ų89.566%0.66446%0.462SS*.  trans-67.5117.5171.1-70.2176.9-72.100106.2M1 D5 Y10M1-Q3 PolarHBondContact O-N 3.14Å; Q3-D5 PolarHBondContact O-N 3.4Å; Q3-Y10 PolarHBondContact O-OH 3.29Å
4N61.6Low81.1Confident130 Ų13083.2 Ų83.270%0.69543%0.43SS*.  trans-74.480.3171.5-77.6-11.6000107.1V2V2-N4 PolarHBondContact O-N 3.27Å
5D77.5Confident82.1Confident57 Ų5785.5 Ų85.531%0.30543%0.431SS..  trans-69.5159.2172.1-61.8-38.8000109.6Q3 V9 Y10Q3-D5 PolarHBondContact O-N 3.4Å; D5-V9 HydrophobicContact CB-CB 3.94Å; D5-V9 HydrophobicContact CB-CG1 4.02Å; D5-V9 HydrophobicContact CB-CG2 4.22Å; D5-Y10 HydrophobicContact CB-CE1 3.82Å; D5-Y10 PolarHBondContact N-OH 3.1Å
6S88.9Confident82.8Confident66 Ų6684.9 Ų84.946%0.46243%0.426SS..  trans-67.1153.3177.786.10000110.4Q8 V9 Y10S6-Q8 PolarHBondContact O-N 3.24Å; S6-Q8 WeakPolarHBondContact OG-CB 2.91Å; S6-Q8 PolarHBondContact OG-N 3.49Å; S6-V9 WeakPolarHBondContact O-CB 3.48Å; S6-V9 PolarHBondContact O-N 3.14Å; S6-Y10 PolarHBondContact O-N 3.26Å
7L92.8Very high83.5Confident81 Ų8181.9 Ų81.942%0.42441%0.41SS..Hα-helixtrans-52-29.9172.9-71.9174.2000112.4V9 Y10 Q11 Y45 A53 F54L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.38Å; L7-Y10 HydrophobicContact CD2-CD2 4.31Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-Q11 PolarHBondContact O-N 3.02Å; L7-Y45 HydrophobicContact CD2-CD1 4.47Å; L7-Y45 HydrophobicContact CD2-CE1 4Å; L7-Y45 HydrophobicContact CD2-CE2 4.26Å; L7-A53 HydrophobicContact CD2-CB 3.83Å; L7-F54 HydrophobicContact CB-CZ 4.27Å; L7-F54 HydrophobicContact CD2-CZ 4.27Å; L7-F54 WeakPolarHBondContact O-CZ 3.42Å
8Q94.2Very high84Confident126 Ų12683.7 Ų83.759%0.58941%0.411SS*.Hα-helixtrans-64.4-37.8178.1-161170.18.400112.4S6 Q11 E12S6-Q8 PolarHBondContact O-N 3.24Å; S6-Q8 WeakPolarHBondContact OG-CB 2.91Å; S6-Q8 PolarHBondContact OG-N 3.49Å; Q8-Q11 PolarHBondContact O-N 3.38Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.83Å
9V95Very high84.4Confident44 Ų4485.1 Ų85.127%0.26742%0.416SS..Hα-helixtrans-65-43.51761770000110.2D5 S6 L7 Q11 E12 A13D5-V9 HydrophobicContact CB-CB 3.94Å; D5-V9 HydrophobicContact CB-CG1 4.02Å; D5-V9 HydrophobicContact CB-CG2 4.22Å; S6-V9 WeakPolarHBondContact O-CB 3.48Å; S6-V9 PolarHBondContact O-N 3.14Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.38Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.32Å; V9-E12 PolarHBondContact O-N 2.89Å; V9-A13 WeakPolarHBondContact O-CB 3.09Å; V9-A13 PolarHBondContact O-N 3.27Å
10Y95.7Very high84.6Confident3 Ų384.2 Ų84.21%0.01241%0.41CS..Hα-helixtrans-64.2-38.7176.4-59.7-28.7000112.2Q3 D5 S6 L7 A13 L14 S38 G41 Y42 Y45Q3-Y10 PolarHBondContact O-OH 3.29Å; D5-Y10 HydrophobicContact CB-CE1 3.82Å; D5-Y10 PolarHBondContact N-OH 3.1Å; S6-Y10 PolarHBondContact O-N 3.26Å; L7-Y10 HydrophobicContact CD2-CD2 4.31Å; L7-Y10 PolarHBondContact O-N 3.49Å; Y10-A13 PolarHBondContact O-N 3.37Å; Y10-L14 WeakPolarHBondContact O-CB 3.29Å; Y10-L14 VanDerWaalsContact O-CG 3.32Å; Y10-L14 WeakPolarHBondContact O-CG 3.41Å; Y10-L14 PolarHBondContact O-N 2.88Å; Y10-S38 WeakPolarHBondContact CD1-O 3.43Å; Y10-S38 WeakPolarHBondContact CE1-O 3.42Å; Y10-G41 VanDerWaalsContact CE1-C 3.49Å; Y10-Y42 HydrophobicContact CD2-CD2 4.14Å; Y10-Y42 HydrophobicContact CG-CD2 4.14Å; Y10-Y42 HydrophobicContact CG-CG 4.44Å; Y10-Y45 HydrophobicContact CE2-CG 4.2Å
11Q95.9Very high84.6Confident77 Ų7782.8 Ų82.836%0.3641%0.409SS..Hα-helixtrans-63.5-43.3176.4-171.3-178.8-7.800112L7 Q8 V9 R15 F54 F58L7-Q11 PolarHBondContact O-N 3.02Å; Q8-Q11 PolarHBondContact O-N 3.38Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.32Å; Q11-R15 WeakPolarHBondContact O-CB 3.43Å; Q11-R15 PolarHBondContact O-N 3.03Å; Q11-F54 HydrophobicContact CB-CE1 3.8Å; Q11-F54 HydrophobicContact CB-CZ 3.9Å; Q11-F54 HydrophobicContact CG-CE1 4.11Å; Q11-F58 HydrophobicContact CG-CE1 4.21Å
12E95.9Very high86.6Confident113 Ų11377.1 Ų77.153%0.52838%0.383SS..Hα-helixtrans-64.5-44.3175.9-73.3174.3-17200111.3Q8 V9 L14 R15 E16Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.83Å; V9-E12 PolarHBondContact O-N 2.89Å; E12-L14 PolarHBondContact O-N 2.85Å; E12-R15 WeakPolarHBondContact O-CB 3.47Å; E12-R15 PolarHBondContact O-N 3.41Å; E12-E16 WeakPolarHBondContact O-CB 3.42Å; E12-E16 PolarHBondContact O-N 2.84Å
13A95.5Very high87.7Confident4 Ų478 Ų783%0.03339%0.393CS..Hα-helixtrans-60.3-45.7176.900000112.6V9 Y10 R15 E16 F17 L35 L39V9-A13 WeakPolarHBondContact O-CB 3.09Å; V9-A13 PolarHBondContact O-N 3.27Å; Y10-A13 PolarHBondContact O-N 3.37Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3.27Å; A13-E16 PolarHBondContact O-N 3.46Å; A13-F17 WeakPolarHBondContact O-CB 3.29Å; A13-F17 PolarHBondContact O-N 3.44Å; A13-L35 VanDerWaalsContact CA-CD1 3.48Å; A13-L35 HydrophobicContact CB-CD1 3.67Å; A13-L35 WeakPolarHBondContact O-CD1 3.32Å; A13-L39 HydrophobicContact CB-CD2 4.07Å; A13-L39 HydrophobicContact CB-CG 4.27Å
14L95.9Very high88Confident2 Ų274.1 Ų74.11%0.0138%0.379CS..Hα-helixtrans-64.5-37.2176.8-73.4169.7000112.1Y10 E12 R18 L39 Y42 F54 F58 V59 F62Y10-L14 WeakPolarHBondContact O-CB 3.29Å; Y10-L14 VanDerWaalsContact O-CG 3.32Å; Y10-L14 WeakPolarHBondContact O-CG 3.41Å; Y10-L14 PolarHBondContact O-N 2.88Å; E12-L14 PolarHBondContact O-N 2.85Å; L14-R18 PolarHBondContact O-N 3.47Å; L14-R18 VanDerWaalsContact O-N 3.14Å; L14-L39 HydrophobicContact CD2-CD2 3.84Å; L14-L39 HydrophobicContact CG-CD2 4.26Å; L14-Y42 HydrophobicContact CD1-CD1 4.19Å; L14-Y42 HydrophobicContact CD1-CD2 4.32Å; L14-Y42 HydrophobicContact CD1-CE1 4.05Å; L14-Y42 HydrophobicContact CD1-CE2 4.18Å; L14-Y42 HydrophobicContact CD1-CG 4.32Å; L14-Y42 HydrophobicContact CD2-CD1 4.18Å; L14-Y42 HydrophobicContact CD2-CE1 4.29Å; L14-F54 HydrophobicContact CD1-CD2 3.73Å; L14-F54 HydrophobicContact CD1-CE2 4.07Å; L14-F58 HydrophobicContact CB-CD1 4.1Å; L14-F58 HydrophobicContact CB-CE1 3.45Å; L14-F58 VanDerWaalsContact CB-CE1 3.45Å; L14-F58 HydrophobicContact CB-CZ 3.88Å; L14-F58 HydrophobicContact CD1-CD1 4.18Å; L14-F58 HydrophobicContact CD1-CE1 4.09Å; L14-F58 HydrophobicContact CG-CE1 4.44Å; L14-V59 HydrophobicContact CD1-CG2 4.23Å; L14-F62 HydrophobicContact CD2-CB 3.8Å; L14-F62 HydrophobicContact CD2-CD1 3.66Å; L14-F62 HydrophobicContact CD2-CG 3.85Å
15R95.6Very high87.7Confident117 Ų11772.1 Ų72.144%0.44239%0.389SS..Hα-helixtrans-62.4-51.6174.5-176.5-171.5-57-80.1-3110.9Q11 E12 A13 F17 R18 E19 F58Q11-R15 WeakPolarHBondContact O-CB 3.43Å; Q11-R15 PolarHBondContact O-N 3.03Å; E12-R15 WeakPolarHBondContact O-CB 3.47Å; E12-R15 PolarHBondContact O-N 3.41Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3.27Å; R15-F17 VanDerWaalsContact C-N 3.28Å; R15-F17 PolarHBondContact O-N 3.17Å; R15-R18 PolarHBondContact O-N 2.89Å; R15-R18 VanDerWaalsContact O-N 3.14Å; R15-E19 WeakPolarHBondContact CG-OE1 3.39Å; R15-E19 WeakPolarHBondContact O-CG 3.45Å; R15-E19 PolarHBondContact O-N 3.33Å; R15-F58 HydrophobicContact CB-CE2 4.39Å; R15-F58 HydrophobicContact CB-CZ 3.93Å
16E94.3Very high86.1Confident76 Ų7672.5 Ų72.536%0.35540%0.401SS..Hα-helixtrans-62.5-38.2-178.6-168-175.4158.500111.2E12 A13 R18 E19 K20 L35E12-E16 WeakPolarHBondContact O-CB 3.42Å; E12-E16 PolarHBondContact O-N 2.84Å; A13-E16 PolarHBondContact O-N 3.46Å; E16-R18 PolarHBondContact O-N 2.86Å; E16-E19 PolarHBondContact O-N 3.27Å; E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 WeakPolarHBondContact O-CB 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.39Å; E16-K20 PolarHBondContact O-N 3.43Å; E16-K20 VanDerWaalsContact OE1-CE 3.25Å; E16-K20 WeakPolarHBondContact OE1-CE 3.29Å; E16-K20 IonicContact OE1-NZ 3.7Å; E16-K20 PolarHBondContact OE1-NZ 3.08Å; E16-L35 HydrophobicContact CB-CD1 4.17Å; E16-L35 HydrophobicContact CB-CD2 4.3Å; E16-L35 HydrophobicContact CG-CD2 3.96Å
17F94.3Very high84.2Confident34 Ų3474.3 Ų74.315%0.14942%0.419CS..Hα-helixtrans-57.9-47.1173.1178.1-93.1000111.9A13 R15 K20 S21 L39 F62 A65A13-F17 WeakPolarHBondContact O-CB 3.29Å; A13-F17 PolarHBondContact O-N 3.44Å; R15-F17 VanDerWaalsContact C-N 3.28Å; R15-F17 PolarHBondContact O-N 3.17Å; F17-K20 PolarHBondContact O-N 3.41Å; F17-S21 PolarHBondContact O-N 3.16Å; F17-S21 PolarHBondContact O-OG 2.98Å; F17-L39 HydrophobicContact CB-CD1 4.16Å; F17-L39 HydrophobicContact CB-CD2 4.32Å; F17-L39 HydrophobicContact CD2-CD1 3.83Å; F17-L39 HydrophobicContact CG-CD1 4.26Å; F17-F62 HydrophobicContact CD1-CB 3.78Å; F17-F62 HydrophobicContact CD1-CD2 4.35Å; F17-F62 HydrophobicContact CD2-CD2 4.23Å; F17-F62 VanDerWaalsContact CE1-CA 3.45Å; F17-F62 HydrophobicContact CE1-CB 3.83Å; F17-F62 HydrophobicContact CE1-CD2 4.34Å; F17-F62 HydrophobicContact CE2-CD2 4.2Å; F17-F62 HydrophobicContact CG-CB 4.44Å; F17-F62 HydrophobicContact CG-CD2 4.31Å; F17-F62 HydrophobicContact CZ-CD2 4.27Å; F17-A65 HydrophobicContact CE1-CB 4.33Å; F17-A65 HydrophobicContact CE2-CB 4.49Å; F17-A65 HydrophobicContact CZ-CB 3.59Å
18R92.5Very high82.4Confident115 Ų11577.8 Ų77.843%0.43444%0.438SS..Hα-helixtrans-64-44.2179.6-175.9177.3176.91802.7112.5L14 R15 E16 K20 S21 D22L14-R18 PolarHBondContact O-N 3.47Å; L14-R18 VanDerWaalsContact O-N 3.14Å; R15-R18 PolarHBondContact O-N 2.89Å; R15-R18 VanDerWaalsContact O-N 3.14Å; E16-R18 PolarHBondContact O-N 2.86Å; R18-K20 VanDerWaalsContact C-N 3.27Å; R18-K20 PolarHBondContact O-N 3.33Å; R18-S21 WeakPolarHBondContact CA-OG 3.4Å; R18-S21 PolarHBondContact O-N 3.26Å; R18-S21 PolarHBondContact O-OG 3.08Å; R18-D22 VanDerWaalsContact O-CG 3.31Å; R18-D22 PolarHBondContact O-N 2.74Å
19E91.3Very high80.6Confident109 Ų10974.7 Ų74.751%0.50944%0.435SS..Hα-helixtrans-61.2-38.7177.2-70.3171.9-173.200111.5R15 E16 S23R15-E19 WeakPolarHBondContact CG-OE1 3.39Å; R15-E19 WeakPolarHBondContact O-CG 3.45Å; R15-E19 PolarHBondContact O-N 3.33Å; E16-E19 PolarHBondContact O-N 3.27Å; E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.42Å; E19-S23 PolarHBondContact O-N 3.35Å; E19-S23 VanDerWaalsContact O-N 3.1Å; E19-S23 PolarHBondContact O-OG 3.02Å
20K88.4Confident79.4Confident67 Ų6781.8 Ų81.829%0.29147%0.465SS..Hα-helixtrans-70.4-39.2176.3-75.7173.7171.8173.20113E16 F17 R18 D22 S23 T24 L31 L35E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 WeakPolarHBondContact O-CB 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.39Å; E16-K20 PolarHBondContact O-N 3.43Å; E16-K20 VanDerWaalsContact OE1-CE 3.25Å; E16-K20 WeakPolarHBondContact OE1-CE 3.29Å; E16-K20 IonicContact OE1-NZ 3.7Å; E16-K20 PolarHBondContact OE1-NZ 3.08Å; F17-K20 PolarHBondContact O-N 3.41Å; R18-K20 VanDerWaalsContact C-N 3.27Å; R18-K20 PolarHBondContact O-N 3.33Å; K20-D22 VanDerWaalsContact C-N 3.34Å; K20-S23 PolarHBondContact O-N 2.98Å; K20-T24 WeakPolarHBondContact O-CB 3.45Å; K20-T24 PolarHBondContact O-N 3.47Å; K20-T24 PolarHBondContact O-OG1 2.87Å; K20-T24 VanDerWaalsContact O-OG1 3.05Å; K20-L31 HydrophobicContact CD-CD1 3.93Å; K20-L35 HydrophobicContact CD-CD2 3.92Å; K20-L35 VanDerWaalsContact NZ-CD2 3.32Å
21S84.3Confident78.6Confident55 Ų5583.7 Ų83.739%0.38548%0.475SS..Hα-helixtrans-67.3-34.9177.461.40000112.5F17 R18F17-S21 PolarHBondContact O-N 3.16Å; F17-S21 PolarHBondContact O-OG 2.98Å; R18-S21 WeakPolarHBondContact CA-OG 3.4Å; R18-S21 PolarHBondContact O-N 3.26Å; R18-S21 PolarHBondContact O-OG 3.08Å
22D81.3Confident78.2Confident119 Ų11984.6 Ų84.664%0.63648%0.482SS*.Hα-helixtrans-75.7-36.7178-67.9-14.4000111.8R18 K20R18-D22 VanDerWaalsContact O-CG 3.31Å; R18-D22 PolarHBondContact O-N 2.74Å; K20-D22 VanDerWaalsContact C-N 3.34Å
23S76.6Confident78Confident102 Ų10286.3 Ų86.371%0.71349%0.488SS*.Hα-helixtrans-77.5-29.3-177.5-57.80000113.3E19 K20E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.42Å; E19-S23 PolarHBondContact O-N 3.35Å; E19-S23 VanDerWaalsContact O-N 3.1Å; E19-S23 PolarHBondContact O-OG 3.02Å; K20-S23 PolarHBondContact O-N 2.98Å
24T60.6Low77.7Confident60 Ų6092.4 Ų92.437%0.36852%0.515SS..  trans-109.689.6-173.1-39.60000110.3K20 A26 A29K20-T24 WeakPolarHBondContact O-CB 3.45Å; K20-T24 PolarHBondContact O-N 3.47Å; K20-T24 PolarHBondContact O-OG1 2.87Å; K20-T24 VanDerWaalsContact O-OG1 3.05Å; T24-A26 HydrophobicContact CG2-CB 4.28Å; T24-A26 WeakPolarHBondContact CG2-O 3.5Å; T24-A26 PolarHBondContact O-N 3.17Å; T24-A29 HydrophobicContact CG2-CB 4.12Å
25G55.8Low77.6Confident88 Ų8892.4 Ų92.491%0.90752%0.516SS*.  trans-66.228.5168.100000114.8
26A43.4Very low77.5Confident65 Ų6589.9 Ų89.954%0.53751%0.509SS..SBendtrans-147.4124.4-176.600000110.8T24 D28T24-A26 HydrophobicContact CG2-CB 4.28Å; T24-A26 WeakPolarHBondContact CG2-O 3.5Å; T24-A26 PolarHBondContact O-N 3.17Å; A26-D28 PolarHBondContact O-N 2.88Å
27A49.2Very low77.5Confident104 Ų10490.4 Ų90.486%0.8651%0.514SS*.THydrogen-bonded Turntrans-6618.3-165.400000117.3
28D54.1Low77.5Confident153 Ų15389 Ų8982%0.81851%0.508SS*.THydrogen-bonded Turntrans-134.919.8-167.9-64.4-45.7000114.1A26 Q30A26-D28 PolarHBondContact O-N 2.88Å; D28-Q30 PolarHBondContact O-N 3.32Å
29A58.1Low77.6Confident62 Ų6283.7 Ų83.751%0.51249%0.488SS..  trans-68101.2170.200000109.2T24 L31T24-A29 HydrophobicContact CG2-CB 4.12Å; A29-L31 PolarHBondContact O-N 3.24Å
30Q68.8Low77.9Confident192 Ų19282.7 Ų82.790%0.89748%0.481SS*.  trans-53.1105.7169.6-174.4171.1-8.800108.3D28D28-Q30 PolarHBondContact O-N 3.32Å
31L78.6Confident78.2Confident44 Ų4479.8 Ų79.823%0.2347%0.47CS..  trans-62.6140.6178.6-15665.9000108.4K20 A29 K33 L35 E36 L39K20-L31 HydrophobicContact CD-CD1 3.93Å; A29-L31 PolarHBondContact O-N 3.24Å; L31-K33 PolarHBondContact O-N 2.98Å; L31-L35 HydrophobicContact CD1-CD2 3.35Å; L31-L35 HydrophobicContact CD1-CG 4.1Å; L31-L35 HydrophobicContact CD2-CD2 4.19Å; L31-L35 HydrophobicContact CD2-CG 4.02Å; L31-L35 HydrophobicContact CG-CB 4.25Å; L31-L35 HydrophobicContact CG-CD2 3.69Å; L31-L35 HydrophobicContact CG-CG 3.91Å; L31-E36 HydrophobicContact CD2-CB 4.14Å; L31-L39 HydrophobicContact CD2-CD1 3.62Å
32D88.3Confident78.8Confident96 Ų9677.2 Ų77.251%0.51345%0.452SS..  trans-60.5139.1174.1-175.823.2000109.1H34 L35 E36D32-H34 PolarHBondContact O-N 3.33Å; D32-L35 HydrophobicContact CB-CB 4.35Å; D32-L35 WeakPolarHBondContact O-CB 3.47Å; D32-L35 PolarHBondContact O-N 2.93Å; D32-E36 PolarHBondContact O-N 3.21Å
33K90.2Very high79.6Confident148 Ų14871.5 Ų71.564%0.64342%0.421SS*.Hα-helixtrans-59.1-40.6-173.4-177-177.5174.3-173.70111.2L31 L35 E36 D37L31-K33 PolarHBondContact O-N 2.98Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.33Å; K33-E36 PolarHBondContact O-N 3.03Å; K33-D37 WeakPolarHBondContact O-CB 3.48Å; K33-D37 VanDerWaalsContact O-CG 3.25Å; K33-D37 PolarHBondContact O-N 3.37Å
34H90.7Very high80.5Confident132 Ų13267.4 Ų67.461%0.61139%0.393SS*.Hα-helixtrans-61.6-38.9178-178.2-88.9000112.3D32 S38D32-H34 PolarHBondContact O-N 3.33Å; H34-S38 WeakPolarHBondContact O-CB 3.5Å; H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.28Å
35L92.8Very high82.3Confident3 Ų367.2 Ų67.22%0.01639%0.386CS..Hα-helixtrans-68.5-44.5176.1177.660.3000111.2A13 E16 K20 L31 D32 K33 D37 S38 L39A13-L35 VanDerWaalsContact CA-CD1 3.48Å; A13-L35 HydrophobicContact CB-CD1 3.67Å; A13-L35 WeakPolarHBondContact O-CD1 3.32Å; E16-L35 HydrophobicContact CB-CD1 4.17Å; E16-L35 HydrophobicContact CB-CD2 4.3Å; E16-L35 HydrophobicContact CG-CD2 3.96Å; K20-L35 HydrophobicContact CD-CD2 3.92Å; K20-L35 VanDerWaalsContact NZ-CD2 3.32Å; L31-L35 HydrophobicContact CD1-CD2 3.35Å; L31-L35 HydrophobicContact CD1-CG 4.1Å; L31-L35 HydrophobicContact CD2-CD2 4.19Å; L31-L35 HydrophobicContact CD2-CG 4.02Å; L31-L35 HydrophobicContact CG-CB 4.25Å; L31-L35 HydrophobicContact CG-CD2 3.69Å; L31-L35 HydrophobicContact CG-CG 3.91Å; D32-L35 HydrophobicContact CB-CB 4.35Å; D32-L35 WeakPolarHBondContact O-CB 3.47Å; D32-L35 PolarHBondContact O-N 2.93Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.33Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 2.95Å; L35-S38 PolarHBondContact O-N 3.45Å; L35-L39 HydrophobicContact CD1-CD1 4.32Å; L35-L39 HydrophobicContact CD1-CG 4.29Å; L35-L39 HydrophobicContact CG-CD1 4.2Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.02Å
36E93.1Very high84.3Confident63 Ų6363 Ų6329%0.29434%0.343SS..Hα-helixtrans-60.1-43.1175.1-172.9169.4-164.600111.8L31 D32 K33 S38 L39 Y40 K69L31-E36 HydrophobicContact CD2-CB 4.14Å; D32-E36 PolarHBondContact O-N 3.21Å; K33-E36 PolarHBondContact O-N 3.03Å; E36-S38 PolarHBondContact O-N 3.31Å; E36-L39 PolarHBondContact O-N 3.42Å; E36-Y40 HydrophobicContact CG-CD2 4.25Å; E36-Y40 WeakPolarHBondContact O-CB 3.4Å; E36-Y40 PolarHBondContact O-N 3.29Å; E36-K69 IonicContact OE1-NZ 2.93Å; E36-K69 PolarHBondContact OE1-NZ 2.9Å
37D94.3Very high86.8Confident87 Ų8760.4 Ų60.447%0.46532%0.322SS..Hα-helixtrans-62-42.6177.1-72.2-23.9000111.2K33 L35 Y40 G41K33-D37 WeakPolarHBondContact O-CB 3.48Å; K33-D37 VanDerWaalsContact O-CG 3.25Å; K33-D37 PolarHBondContact O-N 3.37Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 2.95Å; D37-Y40 PolarHBondContact O-N 2.66Å; D37-G41 PolarHBondContact O-N 3.34Å
38S95.1Very high89Confident4 Ų462.7 Ų62.73%0.02831%0.314CS..Hα-helixtrans-65.8-41.8177.5-59.10000112.4Y10 H34 L35 E36 G41 Y42Y10-S38 WeakPolarHBondContact CD1-O 3.43Å; Y10-S38 WeakPolarHBondContact CE1-O 3.42Å; H34-S38 WeakPolarHBondContact O-CB 3.5Å; H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.28Å; L35-S38 PolarHBondContact O-N 3.45Å; E36-S38 PolarHBondContact O-N 3.31Å; S38-G41 WeakPolarHBondContact O-CA 3.39Å; S38-G41 PolarHBondContact O-N 3Å; S38-Y42 PolarHBondContact O-N 2.93Å
39L95.7Very high91Very high4 Ų457.4 Ų57.42%0.02129%0.29CS..Hα-helixtrans-66-38.8175.6-72.2173.3000111.9A13 L14 F17 L31 L35 E36 G41 Y42 L43 F62A13-L39 HydrophobicContact CB-CD2 4.07Å; A13-L39 HydrophobicContact CB-CG 4.27Å; L14-L39 HydrophobicContact CD2-CD2 3.84Å; L14-L39 HydrophobicContact CG-CD2 4.26Å; F17-L39 HydrophobicContact CB-CD1 4.16Å; F17-L39 HydrophobicContact CB-CD2 4.32Å; F17-L39 HydrophobicContact CD2-CD1 3.83Å; F17-L39 HydrophobicContact CG-CD1 4.26Å; L31-L39 HydrophobicContact CD2-CD1 3.62Å; L35-L39 HydrophobicContact CD1-CD1 4.32Å; L35-L39 HydrophobicContact CD1-CG 4.29Å; L35-L39 HydrophobicContact CG-CD1 4.2Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.02Å; E36-L39 PolarHBondContact O-N 3.42Å; L39-G41 VanDerWaalsContact C-N 3.33Å; L39-Y42 WeakPolarHBondContact O-CB 3.25Å; L39-Y42 PolarHBondContact O-N 3.35Å; L39-L43 PolarHBondContact O-N 3.46Å; L39-F62 HydrophobicContact CB-CE1 4.47Å; L39-F62 HydrophobicContact CB-CE2 3.72Å; L39-F62 HydrophobicContact CB-CZ 3.67Å; L39-F62 HydrophobicContact CD1-CD2 4.06Å; L39-F62 HydrophobicContact CD1-CE2 3.81Å; L39-F62 HydrophobicContact CD2-CD1 4.42Å; L39-F62 HydrophobicContact CD2-CD2 3.98Å; L39-F62 HydrophobicContact CD2-CE1 4.41Å; L39-F62 HydrophobicContact CD2-CE2 3.98Å; L39-F62 HydrophobicContact CD2-CG 4.21Å; L39-F62 HydrophobicContact CD2-CZ 4.2Å; L39-F62 HydrophobicContact CG-CD2 4.43Å; L39-F62 HydrophobicContact CG-CE2 4.05Å; L39-F62 HydrophobicContact CG-CZ 4.36Å
40Y95.6Very high92.8Very high88 Ų8855.1 Ų55.135%0.34527%0.272SS..Hα-helixtrans-64.1-39170.9-110.2-84.6000112E36 D37 Y42 L43 A44 L117E36-Y40 HydrophobicContact CG-CD2 4.25Å; E36-Y40 WeakPolarHBondContact O-CB 3.4Å; E36-Y40 PolarHBondContact O-N 3.29Å; D37-Y40 PolarHBondContact O-N 2.66Å; Y40-Y42 VanDerWaalsContact C-N 3.33Å; Y40-L43 PolarHBondContact O-N 2.95Å; Y40-A44 WeakPolarHBondContact O-CB 3.42Å; Y40-A44 PolarHBondContact O-N 2.9Å; Y40-L117 HydrophobicContact CD1-CD2 3.51Å; Y40-L117 HydrophobicContact CE1-CD2 3.74Å
41G96.2Very high94Very high6 Ų650.4 Ų50.46%0.06225%0.249CC..Hα-helixtrans-58-45.3172.400000111.9Y10 D37 S38 L39 A44 Y45Y10-G41 VanDerWaalsContact CE1-C 3.49Å; D37-G41 PolarHBondContact O-N 3.34Å; S38-G41 WeakPolarHBondContact O-CA 3.39Å; S38-G41 PolarHBondContact O-N 3Å; L39-G41 VanDerWaalsContact C-N 3.33Å; G41-A44 PolarHBondContact O-N 2.93Å; G41-Y45 PolarHBondContact O-N 3.29Å
42Y97.2Very high94.8Very high1 Ų148.4 Ų48.40%0.00424%0.238CC..Hα-helixtrans-60.9-47.2174.7173.5-106.6000112.5Y10 L14 S38 L39 Y40 A44 Y45 V46 P52 F54 V59 F62Y10-Y42 HydrophobicContact CD2-CD2 4.14Å; Y10-Y42 HydrophobicContact CG-CD2 4.14Å; Y10-Y42 HydrophobicContact CG-CG 4.44Å; L14-Y42 HydrophobicContact CD1-CD1 4.19Å; L14-Y42 HydrophobicContact CD1-CD2 4.32Å; L14-Y42 HydrophobicContact CD1-CE1 4.05Å; L14-Y42 HydrophobicContact CD1-CE2 4.18Å; L14-Y42 HydrophobicContact CD1-CG 4.32Å; L14-Y42 HydrophobicContact CD2-CD1 4.18Å; L14-Y42 HydrophobicContact CD2-CE1 4.29Å; S38-Y42 PolarHBondContact O-N 2.93Å; L39-Y42 WeakPolarHBondContact O-CB 3.25Å; L39-Y42 PolarHBondContact O-N 3.35Å; Y40-Y42 VanDerWaalsContact C-N 3.33Å; Y42-A44 VanDerWaalsContact C-N 3.27Å; Y42-A44 PolarHBondContact O-N 2.6Å; Y42-Y45 WeakPolarHBondContact O-CB 3.45Å; Y42-Y45 PolarHBondContact O-N 3.47Å; Y42-V46 HydrophobicContact CD2-CG2 4.18Å; Y42-V46 HydrophobicContact CE1-CG2 4.02Å; Y42-V46 HydrophobicContact CE2-CG2 3.59Å; Y42-V46 WeakPolarHBondContact O-CG2 3.43Å; Y42-V46 PolarHBondContact O-N 3.36Å; Y42-P52 PolarHBondContact OH-O 2.96Å; Y42-F54 HydrophobicContact CD2-CD2 4.36Å; Y42-F54 AromaticContact CD2-CE2 3.98Å; Y42-F54 HydrophobicContact CD2-CE2 3.98Å; Y42-F54 AromaticContact CE2-CD2 3.62Å; Y42-F54 HydrophobicContact CE2-CD2 3.62Å; Y42-F54 AromaticContact CE2-CE2 3.65Å; Y42-F54 HydrophobicContact CE2-CE2 3.65Å; Y42-V59 HydrophobicContact CE1-CG1 3.83Å; Y42-V59 HydrophobicContact CE1-CG2 4.45Å; Y42-V59 VanDerWaalsContact OH-CG1 3.24Å; Y42-V59 WeakPolarHBondContact OH-CG1 3.49Å; Y42-V59 WeakPolarHBondContact OH-CG2 3.18Å; Y42-F62 HydrophobicContact CD1-CD1 4.26Å; Y42-F62 HydrophobicContact CD1-CE1 4.01Å; Y42-F62 HydrophobicContact CE1-CD1 4.46Å
43L97Very high95.2Very high0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-55.8-43.9174.7-75.4171.3000111.7L39 Y40 V46 A47 F62 I63 Q66 C113 L116 L117L39-L43 PolarHBondContact O-N 3.46Å; Y40-L43 PolarHBondContact O-N 2.95Å; L43-V46 PolarHBondContact O-N 3.03Å; L43-A47 VanDerWaalsContact O-CB 3.29Å; L43-A47 WeakPolarHBondContact O-CB 3.03Å; L43-A47 PolarHBondContact O-N 3.31Å; L43-F62 HydrophobicContact CD1-CE1 4.16Å; L43-F62 HydrophobicContact CD1-CZ 3.79Å; L43-F62 HydrophobicContact CD2-CE1 3.83Å; L43-F62 HydrophobicContact CD2-CZ 4.31Å; L43-F62 HydrophobicContact CG-CE1 3.7Å; L43-F62 HydrophobicContact CG-CZ 3.82Å; L43-I63 HydrophobicContact CD2-CD1 3.58Å; L43-Q66 HydrophobicContact CD1-CG 3.85Å; L43-C113 HydrophobicContact CD2-CB 4.39Å; L43-L116 HydrophobicContact CD2-CD1 4.49Å; L43-L117 HydrophobicContact CB-CD1 4.34Å; L43-L117 HydrophobicContact CB-CD2 3.63Å; L43-L117 HydrophobicContact CB-CG 3.95Å; L43-L117 HydrophobicContact CD1-CD2 4.36Å
44A96.8Very high95.5Very high15 Ų1539.3 Ų39.312%0.12420%0.199CC..Hα-helixtrans-65.2-39.8178.600000112.5V2 Y40 G41 Y42 A47 Q48 L117V2-A44 HydrophobicContact CB-CB 4.29Å; V2-A44 HydrophobicContact CG1-CB 3.54Å; V2-A44 HydrophobicContact CG2-CB 3.8Å; Y40-A44 WeakPolarHBondContact O-CB 3.42Å; Y40-A44 PolarHBondContact O-N 2.9Å; G41-A44 PolarHBondContact O-N 2.93Å; Y42-A44 VanDerWaalsContact C-N 3.27Å; Y42-A44 PolarHBondContact O-N 2.6Å; A44-A47 PolarHBondContact O-N 3.43Å; A44-Q48 WeakPolarHBondContact O-CB 3.34Å; A44-Q48 PolarHBondContact O-N 3.46Å; A44-L117 HydrophobicContact CB-CD1 4.17Å; A44-L117 HydrophobicContact CB-CD2 4.4Å
45Y97Very high95.7Very high56 Ų5638.1 Ų38.122%0.2220%0.197CC..Hα-helixtrans-58.5-48.3172.4167.1-93.9000111.6L7 Y10 G41 Y42 Q48 S49 K51 A53L7-Y45 HydrophobicContact CD2-CD1 4.47Å; L7-Y45 HydrophobicContact CD2-CE1 4Å; L7-Y45 HydrophobicContact CD2-CE2 4.26Å; Y10-Y45 HydrophobicContact CE2-CG 4.2Å; G41-Y45 PolarHBondContact O-N 3.29Å; Y42-Y45 WeakPolarHBondContact O-CB 3.45Å; Y42-Y45 PolarHBondContact O-N 3.47Å; Y45-Q48 PolarHBondContact O-N 2.86Å; Y45-S49 VanDerWaalsContact O-CB 3.29Å; Y45-S49 WeakPolarHBondContact O-CB 3.47Å; Y45-S49 PolarHBondContact O-N 3.05Å; Y45-S49 PolarHBondContact O-OG 3.35Å; Y45-K51 WeakPolarHBondContact CE1-O 3.22Å; Y45-A53 HydrophobicContact CE1-CB 3.74Å
46V97.4Very high95.9Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-68.7-40.2-179.7-1790000111.5Y42 L43 Q48 G50 I109 C113Y42-V46 HydrophobicContact CD2-CG2 4.18Å; Y42-V46 HydrophobicContact CE1-CG2 4.02Å; Y42-V46 HydrophobicContact CE2-CG2 3.59Å; Y42-V46 WeakPolarHBondContact O-CG2 3.43Å; Y42-V46 PolarHBondContact O-N 3.36Å; L43-V46 PolarHBondContact O-N 3.03Å; V46-Q48 PolarHBondContact O-N 3.33Å; V46-G50 VanDerWaalsContact O-CA 3.3Å; V46-G50 WeakPolarHBondContact O-CA 3.34Å; V46-G50 PolarHBondContact O-N 2.82Å; V46-I109 HydrophobicContact CG1-CG1 3.72Å; V46-I109 HydrophobicContact CG1-CG2 4.35Å; V46-C113 HydrophobicContact CB-CB 4.35Å; V46-C113 HydrophobicContact CG1-CB 4.34Å; V46-C113 VanDerWaalsContact CG1-SG 3.59Å
47A96.9Very high96Very high11 Ų1139.1 Ų39.19%0.09121%0.21CC..Hα-helixtrans-61.7-31.9175.800000112.8L43 A44 Q110 C113 E114 L117L43-A47 VanDerWaalsContact O-CB 3.29Å; L43-A47 WeakPolarHBondContact O-CB 3.03Å; L43-A47 PolarHBondContact O-N 3.31Å; A44-A47 PolarHBondContact O-N 3.43Å; A47-Q110 WeakPolarHBondContact O-CG 3.14Å; A47-Q110 PolarHBondContact O-NE2 3.29Å; A47-Q110 VanDerWaalsContact O-NE2 3.08Å; A47-C113 HydrophobicContact CB-CB 3.84Å; A47-E114 HydrophobicContact CB-CG 3.93Å; A47-L117 HydrophobicContact CB-CD1 3.5Å
48Q96.1Very high96.1Very high151 Ų15136.9 Ų36.971%0.70620%0.196SC*.Hα-helixtrans-86.3-43.2178.5-175.317251.100113.1A44 Y45 V46A44-Q48 WeakPolarHBondContact O-CB 3.34Å; A44-Q48 PolarHBondContact O-N 3.46Å; Y45-Q48 PolarHBondContact O-N 2.86Å; V46-Q48 PolarHBondContact O-N 3.33Å
49S95.2Very high96.2Very high43 Ų4336.7 Ų36.730%0.30120%0.195SC..Hα-helixtrans-87.4-25.9-173.165.70000113.6Y45 K51Y45-S49 VanDerWaalsContact O-CB 3.29Å; Y45-S49 WeakPolarHBondContact O-CB 3.47Å; Y45-S49 PolarHBondContact O-N 3.05Å; Y45-S49 PolarHBondContact O-OG 3.35Å; S49-K51 PolarHBondContact O-N 3.15Å; S49-K51 PolarHBondContact OG-N 3.27Å; S49-K51 VanDerWaalsContact OG-N 3.13Å
50G95Very high96.2Very high14 Ų1438.1 Ų38.114%0.14420%0.202CC..  trans66.59.1-167.700000114.6V46V46-G50 VanDerWaalsContact O-CA 3.3Å; V46-G50 WeakPolarHBondContact O-CA 3.34Å; V46-G50 PolarHBondContact O-N 2.82Å
51K95.3Very high96.2Very high93 Ų9336.2 Ų36.240%0.40420%0.2SC..  trans-105.4122.6-177.6-57.4-173.1179.2-177.40110.1Y45 S49 A53 D146Y45-K51 WeakPolarHBondContact CE1-O 3.22Å; S49-K51 PolarHBondContact O-N 3.15Å; S49-K51 PolarHBondContact OG-N 3.27Å; S49-K51 VanDerWaalsContact OG-N 3.13Å; K51-A53 PolarHBondContact O-N 3.44Å; K51-D146 WeakPolarHBondContact CD-O 3.48Å; K51-D146 WeakPolarHBondContact CE-O 3.47Å; K51-D146 WeakPolarHBondContact CG-O 3.3Å
52P95.7Very high96.2Very high2 Ų236.2 Ų36.21%0.01320%0.198CC..  trans-59.9-31.3174.3-23.532.9000113.5Y42 F54 A105 I109 V143 D144Y42-P52 PolarHBondContact OH-O 2.96Å; P52-F54 PolarHBondContact O-N 3.32Å; P52-A105 HydrophobicContact CB-CB 4.24Å; P52-A105 HydrophobicContact CG-CB 3.59Å; P52-I109 HydrophobicContact CG-CG2 4.19Å; P52-V143 HydrophobicContact CG-CG2 4.08Å; P52-D144 WeakPolarHBondContact CD-O 3.48Å
53A95.5Very high96.2Very high26 Ų2636.2 Ų36.222%0.21520%0.198CC..  trans60.8-21.6-173.900000116.5L7 Y45 K51 V145L7-A53 HydrophobicContact CD2-CB 3.83Å; Y45-A53 HydrophobicContact CE1-CB 3.74Å; K51-A53 PolarHBondContact O-N 3.44Å; A53-V145 VanDerWaalsContact CA-O 3.32Å; A53-V145 WeakPolarHBondContact CA-O 3.49Å; A53-V145 PolarHBondContact N-O 3.5Å
54F96.4Very high96.3Very high26 Ų2638.1 Ų38.111%0.11421%0.208CC..SBendtrans-131.9158.7176.6-48.3-69.7000110.7L7 Q11 L14 Y42 P52 F58 V59L7-F54 HydrophobicContact CB-CZ 4.27Å; L7-F54 HydrophobicContact CD2-CZ 4.27Å; L7-F54 WeakPolarHBondContact O-CZ 3.42Å; Q11-F54 HydrophobicContact CB-CE1 3.8Å; Q11-F54 HydrophobicContact CB-CZ 3.9Å; Q11-F54 HydrophobicContact CG-CE1 4.11Å; L14-F54 HydrophobicContact CD1-CD2 3.73Å; L14-F54 HydrophobicContact CD1-CE2 4.07Å; Y42-F54 HydrophobicContact CD2-CD2 4.36Å; Y42-F54 AromaticContact CD2-CE2 3.98Å; Y42-F54 HydrophobicContact CD2-CE2 3.98Å; Y42-F54 AromaticContact CE2-CD2 3.62Å; Y42-F54 HydrophobicContact CE2-CD2 3.62Å; Y42-F54 AromaticContact CE2-CE2 3.65Å; Y42-F54 HydrophobicContact CE2-CE2 3.65Å; P52-F54 PolarHBondContact O-N 3.32Å; F54-F58 HydrophobicContact CB-CD1 4.18Å; F54-V59 HydrophobicContact CB-CG2 3.8Å; F54-V59 HydrophobicContact CD2-CG2 4.43Å
55D96.3Very high96.2Very high107 Ų10739.3 Ų39.357%0.57222%0.217SC*.  trans-57.3141178.2-68-36.4000111.6S57 F58 V59 V145D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 PolarHBondContact O-N 2.84Å; D55-F58 WeakPolarHBondContact O-CB 3.38Å; D55-F58 PolarHBondContact O-N 2.91Å; D55-V59 PolarHBondContact O-N 3.24Å; D55-V145 WeakPolarHBondContact OD1-CG1 3.36Å
56W96.9Very high96.2Very high10 Ų1037.2 Ų37.24%0.03821%0.209CC..Hα-helixtrans-57.8-40.5-177.2-179.6-120.4000112.4F58 V59 Q60 I63 L99 F102 A105 I109W56-F58 PolarHBondContact O-N 3Å; W56-V59 HydrophobicContact CE3-CB 4.26Å; W56-V59 HydrophobicContact CE3-CG1 4.21Å; W56-V59 HydrophobicContact CZ3-CG1 4.06Å; W56-V59 PolarHBondContact O-N 3.42Å; W56-Q60 HydrophobicContact CD2-CB 3.85Å; W56-Q60 HydrophobicContact CD2-CG 4.49Å; W56-Q60 HydrophobicContact CE3-CB 4.33Å; W56-Q60 HydrophobicContact CG-CB 4.26Å; W56-Q60 HydrophobicContact CH2-CB 4.3Å; W56-Q60 HydrophobicContact CZ2-CB 3.81Å; W56-Q60 HydrophobicContact CZ2-CG 3.73Å; W56-Q60 WeakPolarHBondContact O-CA 3.3Å; W56-Q60 WeakPolarHBondContact O-CB 3.32Å; W56-Q60 PolarHBondContact O-N 3.39Å; W56-I63 HydrophobicContact CH2-CB 4.09Å; W56-I63 HydrophobicContact CH2-CG1 4.26Å; W56-I63 HydrophobicContact CH2-CG2 4.04Å; W56-I63 HydrophobicContact CZ3-CB 4.39Å; W56-I63 HydrophobicContact CZ3-CG1 4.06Å; W56-L99 HydrophobicContact CH2-CD2 4.41Å; W56-L99 HydrophobicContact CZ2-CD2 4.32Å; W56-F102 VanDerWaalsContact CD1-O 3.23Å; W56-F102 PolarHBondContact NE1-O 3.45Å; W56-A105 HydrophobicContact CB-CB 4.37Å; W56-A105 HydrophobicContact CD2-CB 4.21Å; W56-A105 HydrophobicContact CE3-CB 3.79Å; W56-A105 HydrophobicContact CG-CB 4.47Å; W56-A105 HydrophobicContact CZ3-CB 4.49Å; W56-I109 HydrophobicContact CH2-CD1 4.35Å; W56-I109 HydrophobicContact CZ3-CD1 3.8Å
57S95.3Very high96.2Very high78 Ų7837.2 Ų37.255%0.54521%0.209SC..Hα-helixtrans-56.8-24.4176.562.80000114D55D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 PolarHBondContact O-N 2.84Å
58F95.3Very high96.1Very high39 Ų3939.1 Ų39.117%0.17122%0.218CC..Hα-helixtrans-86.9-36.8176.4-169.3-115.5000112.3Q11 L14 R15 F54 D55 W56Q11-F58 HydrophobicContact CG-CE1 4.21Å; L14-F58 HydrophobicContact CB-CD1 4.1Å; L14-F58 HydrophobicContact CB-CE1 3.45Å; L14-F58 VanDerWaalsContact CB-CE1 3.45Å; L14-F58 HydrophobicContact CB-CZ 3.88Å; L14-F58 HydrophobicContact CD1-CD1 4.18Å; L14-F58 HydrophobicContact CD1-CE1 4.09Å; L14-F58 HydrophobicContact CG-CE1 4.44Å; R15-F58 HydrophobicContact CB-CE2 4.39Å; R15-F58 HydrophobicContact CB-CZ 3.93Å; F54-F58 HydrophobicContact CB-CD1 4.18Å; D55-F58 WeakPolarHBondContact O-CB 3.38Å; D55-F58 PolarHBondContact O-N 2.91Å; W56-F58 PolarHBondContact O-N 3Å
59V96.7Very high96Very high1 Ų136.5 Ų36.51%0.00621%0.205CC..Hα-helixtrans-85.2-35.4-175.6173.70000112.7L14 Y42 F54 D55 W56 F62 I63L14-V59 HydrophobicContact CD1-CG2 4.23Å; Y42-V59 HydrophobicContact CE1-CG1 3.83Å; Y42-V59 HydrophobicContact CE1-CG2 4.45Å; Y42-V59 VanDerWaalsContact OH-CG1 3.24Å; Y42-V59 WeakPolarHBondContact OH-CG1 3.49Å; Y42-V59 WeakPolarHBondContact OH-CG2 3.18Å; F54-V59 HydrophobicContact CB-CG2 3.8Å; F54-V59 HydrophobicContact CD2-CG2 4.43Å; D55-V59 PolarHBondContact O-N 3.24Å; W56-V59 HydrophobicContact CE3-CB 4.26Å; W56-V59 HydrophobicContact CE3-CG1 4.21Å; W56-V59 HydrophobicContact CZ3-CG1 4.06Å; W56-V59 PolarHBondContact O-N 3.42Å; V59-F62 PolarHBondContact O-N 3.21Å; V59-F62 VanDerWaalsContact O-N 3.15Å; V59-I63 HydrophobicContact CG1-CD1 4.3Å; V59-I63 HydrophobicContact CG1-CG1 3.6Å; V59-I63 PolarHBondContact O-N 3.45Å; V59-I63 VanDerWaalsContact O-N 3.11Å
60Q96.8Very high96Very high34 Ų3434.9 Ų34.916%0.15919%0.193CC..Hα-helixtrans-53.6-46.9-170.9174.9-171.928.200113.6W56 F62 I63 M64 L99 S100W56-Q60 HydrophobicContact CD2-CB 3.85Å; W56-Q60 HydrophobicContact CD2-CG 4.49Å; W56-Q60 HydrophobicContact CE3-CB 4.33Å; W56-Q60 HydrophobicContact CG-CB 4.26Å; W56-Q60 HydrophobicContact CH2-CB 4.3Å; W56-Q60 HydrophobicContact CZ2-CB 3.81Å; W56-Q60 HydrophobicContact CZ2-CG 3.73Å; W56-Q60 WeakPolarHBondContact O-CA 3.3Å; W56-Q60 WeakPolarHBondContact O-CB 3.32Å; W56-Q60 PolarHBondContact O-N 3.39Å; Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 PolarHBondContact O-N 3.15Å; Q60-I63 PolarHBondContact O-N 2.88Å; Q60-M64 HydrophobicContact CG-CG 4.33Å; Q60-M64 HydrophobicContact CG-SD 3.86Å; Q60-M64 WeakPolarHBondContact O-CB 3.23Å; Q60-M64 WeakPolarHBondContact O-CG 3.39Å; Q60-M64 PolarHBondContact O-N 3.34Å; Q60-L99 PolarHBondContact NE2-O 3.02Å; Q60-S100 VanDerWaalsContact NE2-CA 3.29Å; Q60-S100 PolarHBondContact NE2-O 3.1Å; Q60-S100 VanDerWaalsContact NE2-O 3.13Å
61P95.7Very high96Very high47 Ų4734.4 Ų34.431%0.30519%0.187SC..Hα-helixtrans-59-39.6-179.5-24.435.4000112.5A65P61-A65 WeakPolarHBondContact O-CB 3.24Å; P61-A65 PolarHBondContact O-N 3.13Å
62F96.4Very high95.8Very high7 Ų734.4 Ų34.43%0.03119%0.188CC..Hα-helixtrans-68.4-46.2177.2167.1-112.2000111.9L14 F17 L39 Y42 L43 V59 Q60 M64 A65 Q66L14-F62 HydrophobicContact CD2-CB 3.8Å; L14-F62 HydrophobicContact CD2-CD1 3.66Å; L14-F62 HydrophobicContact CD2-CG 3.85Å; F17-F62 HydrophobicContact CD1-CB 3.78Å; F17-F62 HydrophobicContact CD1-CD2 4.35Å; F17-F62 HydrophobicContact CD2-CD2 4.23Å; F17-F62 VanDerWaalsContact CE1-CA 3.45Å; F17-F62 HydrophobicContact CE1-CB 3.83Å; F17-F62 HydrophobicContact CE1-CD2 4.34Å; F17-F62 HydrophobicContact CE2-CD2 4.2Å; F17-F62 HydrophobicContact CG-CB 4.44Å; F17-F62 HydrophobicContact CG-CD2 4.31Å; F17-F62 HydrophobicContact CZ-CD2 4.27Å; L39-F62 HydrophobicContact CB-CE1 4.47Å; L39-F62 HydrophobicContact CB-CE2 3.72Å; L39-F62 HydrophobicContact CB-CZ 3.67Å; L39-F62 HydrophobicContact CD1-CD2 4.06Å; L39-F62 HydrophobicContact CD1-CE2 3.81Å; L39-F62 HydrophobicContact CD2-CD1 4.42Å; L39-F62 HydrophobicContact CD2-CD2 3.98Å; L39-F62 HydrophobicContact CD2-CE1 4.41Å; L39-F62 HydrophobicContact CD2-CE2 3.98Å; L39-F62 HydrophobicContact CD2-CG 4.21Å; L39-F62 HydrophobicContact CD2-CZ 4.2Å; L39-F62 HydrophobicContact CG-CD2 4.43Å; L39-F62 HydrophobicContact CG-CE2 4.05Å; L39-F62 HydrophobicContact CG-CZ 4.36Å; Y42-F62 HydrophobicContact CD1-CD1 4.26Å; Y42-F62 HydrophobicContact CD1-CE1 4.01Å; Y42-F62 HydrophobicContact CE1-CD1 4.46Å; L43-F62 HydrophobicContact CD1-CE1 4.16Å; L43-F62 HydrophobicContact CD1-CZ 3.79Å; L43-F62 HydrophobicContact CD2-CE1 3.83Å; L43-F62 HydrophobicContact CD2-CZ 4.31Å; L43-F62 HydrophobicContact CG-CE1 3.7Å; L43-F62 HydrophobicContact CG-CZ 3.82Å; V59-F62 PolarHBondContact O-N 3.21Å; V59-F62 VanDerWaalsContact O-N 3.15Å; Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 PolarHBondContact O-N 3.15Å; F62-M64 VanDerWaalsContact C-N 3.32Å; F62-M64 PolarHBondContact O-N 3.46Å; F62-A65 PolarHBondContact O-N 3.29Å; F62-Q66 HydrophobicContact CE2-CB 4.48Å; F62-Q66 WeakPolarHBondContact O-CB 3.11Å; F62-Q66 PolarHBondContact O-N 2.85Å
63I97.6Very high95.7Very high0 Ų037.4 Ų37.40%021%0.213CC..Hα-helixtrans-60.5-43.4177.8-64.3-63.6000111L43 W56 V59 Q60 Q66 V67 L112 L116L43-I63 HydrophobicContact CD2-CD1 3.58Å; W56-I63 HydrophobicContact CH2-CB 4.09Å; W56-I63 HydrophobicContact CH2-CG1 4.26Å; W56-I63 HydrophobicContact CH2-CG2 4.04Å; W56-I63 HydrophobicContact CZ3-CB 4.39Å; W56-I63 HydrophobicContact CZ3-CG1 4.06Å; V59-I63 HydrophobicContact CG1-CD1 4.3Å; V59-I63 HydrophobicContact CG1-CG1 3.6Å; V59-I63 PolarHBondContact O-N 3.45Å; V59-I63 VanDerWaalsContact O-N 3.11Å; Q60-I63 PolarHBondContact O-N 2.88Å; I63-Q66 PolarHBondContact O-N 3.33Å; I63-V67 HydrophobicContact CG2-CG2 4.37Å; I63-V67 VanDerWaalsContact O-CG2 3.22Å; I63-V67 WeakPolarHBondContact O-CG2 3.4Å; I63-V67 PolarHBondContact O-N 3.34Å; I63-L112 HydrophobicContact CG2-CD2 3.78Å; I63-L112 HydrophobicContact CG2-CG 4.48Å; I63-L116 HydrophobicContact CG2-CD1 4.27Å
64M97.4Very high95.4Very high41 Ų4137 Ų3720%0.20221%0.207CC..Hα-helixtrans-61-47.1176.5-72.5179.668.500111.9Q60 F62 Q66 V67 D68 M96 L99Q60-M64 HydrophobicContact CG-CG 4.33Å; Q60-M64 HydrophobicContact CG-SD 3.86Å; Q60-M64 WeakPolarHBondContact O-CB 3.23Å; Q60-M64 WeakPolarHBondContact O-CG 3.39Å; Q60-M64 PolarHBondContact O-N 3.34Å; F62-M64 VanDerWaalsContact C-N 3.32Å; F62-M64 PolarHBondContact O-N 3.46Å; M64-Q66 VanDerWaalsContact C-N 3.3Å; M64-Q66 PolarHBondContact O-N 2.94Å; M64-V67 PolarHBondContact O-N 3.03Å; M64-D68 WeakPolarHBondContact O-CB 3.43Å; M64-D68 PolarHBondContact O-N 2.95Å; M64-M96 HydrophobicContact CB-CE 4.01Å; M64-M96 HydrophobicContact CE-CE 4.06Å; M64-M96 WeakPolarHBondContact O-CE 3.43Å; M64-L99 HydrophobicContact CG-CB 3.92Å; M64-L99 HydrophobicContact CG-CD1 4.45Å; M64-L99 HydrophobicContact SD-CB 4.45Å
65A95.8Very high95.1Very high40 Ų4037.1 Ų37.133%0.33121%0.211SC..Hα-helixtrans-62.6-37.5176.700000112.4F17 P61 F62 D68 K69F17-A65 HydrophobicContact CE1-CB 4.33Å; F17-A65 HydrophobicContact CE2-CB 4.49Å; F17-A65 HydrophobicContact CZ-CB 3.59Å; P61-A65 WeakPolarHBondContact O-CB 3.24Å; P61-A65 PolarHBondContact O-N 3.13Å; F62-A65 PolarHBondContact O-N 3.29Å; A65-D68 WeakPolarHBondContact O-CB 3.38Å; A65-D68 PolarHBondContact O-N 3.49Å; A65-K69 WeakPolarHBondContact O-CB 3.3Å; A65-K69 PolarHBondContact O-N 3.21Å
66Q96.5Very high94.5Very high11 Ų1138.3 Ų38.35%0.05122%0.217CC..Hα-helixtrans-68.3-41176.6-174.166.911.700111.9L43 F62 I63 M64 D68 K69 V70 L116L43-Q66 HydrophobicContact CD1-CG 3.85Å; F62-Q66 HydrophobicContact CE2-CB 4.48Å; F62-Q66 WeakPolarHBondContact O-CB 3.11Å; F62-Q66 PolarHBondContact O-N 2.85Å; I63-Q66 PolarHBondContact O-N 3.33Å; M64-Q66 VanDerWaalsContact C-N 3.3Å; M64-Q66 PolarHBondContact O-N 2.94Å; Q66-D68 VanDerWaalsContact C-N 3.31Å; Q66-D68 PolarHBondContact O-N 3.43Å; Q66-K69 PolarHBondContact O-N 3.09Å; Q66-V70 HydrophobicContact CG-CG2 4.3Å; Q66-V70 WeakPolarHBondContact O-CB 3.45Å; Q66-V70 VanDerWaalsContact O-CG2 3.23Å; Q66-V70 WeakPolarHBondContact O-CG2 3.45Å; Q66-V70 PolarHBondContact O-N 2.97Å; Q66-L116 HydrophobicContact CB-CD1 4.4Å; Q66-L116 HydrophobicContact CG-CB 4.13Å; Q66-L116 HydrophobicContact CG-CD1 4.13Å; Q66-L116 HydrophobicContact CG-CD2 4.45Å; Q66-L116 HydrophobicContact CG-CG 4.46Å
67V97.3Very high93.3Very high0 Ų041.3 Ų41.30%025%0.251CS..Hα-helixtrans-57.6-47.7173.2169.30000110.1I63 M64 V70 I71 I95 M96 L99 L112 L116I63-V67 HydrophobicContact CG2-CG2 4.37Å; I63-V67 VanDerWaalsContact O-CG2 3.22Å; I63-V67 WeakPolarHBondContact O-CG2 3.4Å; I63-V67 PolarHBondContact O-N 3.34Å; M64-V67 PolarHBondContact O-N 3.03Å; V67-V70 PolarHBondContact O-N 3.39Å; V67-I71 HydrophobicContact CG1-CD1 3.65Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 WeakPolarHBondContact O-CB 3.4Å; V67-I71 VanDerWaalsContact O-CG1 3.25Å; V67-I71 WeakPolarHBondContact O-CG1 3.47Å; V67-I71 PolarHBondContact O-N 3.32Å; V67-I95 HydrophobicContact CG1-CG2 4Å; V67-M96 HydrophobicContact CB-SD 4.28Å; V67-M96 HydrophobicContact CG1-SD 3.93Å; V67-L99 HydrophobicContact CB-CD1 4.35Å; V67-L99 HydrophobicContact CG1-CD1 4.32Å; V67-L99 HydrophobicContact CG2-CD1 3.81Å; V67-L112 HydrophobicContact CG2-CD1 4.38Å; V67-L116 HydrophobicContact CB-CD2 4.27Å; V67-L116 HydrophobicContact CG2-CD1 3.89Å; V67-L116 HydrophobicContact CG2-CD2 3.69Å; V67-L116 HydrophobicContact CG2-CG 4.36Å
68D95.6Very high92.2Very high52 Ų5240.5 Ų40.528%0.27824%0.243SC..Hα-helixtrans-56.8-53.5178.2-162.159.1000111.7M64 A65 Q66 V70 I71 E72 K92 M96M64-D68 WeakPolarHBondContact O-CB 3.43Å; M64-D68 PolarHBondContact O-N 2.95Å; A65-D68 WeakPolarHBondContact O-CB 3.38Å; A65-D68 PolarHBondContact O-N 3.49Å; Q66-D68 VanDerWaalsContact C-N 3.31Å; Q66-D68 PolarHBondContact O-N 3.43Å; D68-V70 PolarHBondContact O-N 2.93Å; D68-I71 PolarHBondContact O-N 3.38Å; D68-E72 WeakPolarHBondContact O-CG 3.34Å; D68-E72 PolarHBondContact O-N 2.97Å; D68-K92 WeakPolarHBondContact OD1-CE 3.32Å; D68-K92 IonicContact OD1-NZ 2.78Å; D68-K92 PolarHBondContact OD1-NZ 3.22Å; D68-M96 HydrophobicContact CB-CE 4.17Å
69K94.1Very high90.9Very high96 Ų9642.6 Ų42.642%0.41726%0.263SS..Hα-helixtrans-57-45.5177.3178.5179.7175.1178.30112.6E36 A65 Q66 E72 A73E36-K69 IonicContact OE1-NZ 2.93Å; E36-K69 PolarHBondContact OE1-NZ 2.9Å; A65-K69 WeakPolarHBondContact O-CB 3.3Å; A65-K69 PolarHBondContact O-N 3.21Å; Q66-K69 PolarHBondContact O-N 3.09Å; K69-E72 PolarHBondContact O-N 3.01Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 3.31Å
70V95.2Very high89.5Confident9 Ų947.6 Ų47.66%0.05530%0.295CS..Hα-helixtrans-68.6-42.2-177.9170.90000111.2Q66 V67 D68 E72 A73 M74 L116 P119 F129Q66-V70 HydrophobicContact CG-CG2 4.3Å; Q66-V70 WeakPolarHBondContact O-CB 3.45Å; Q66-V70 VanDerWaalsContact O-CG2 3.23Å; Q66-V70 WeakPolarHBondContact O-CG2 3.45Å; Q66-V70 PolarHBondContact O-N 2.97Å; V67-V70 PolarHBondContact O-N 3.39Å; D68-V70 PolarHBondContact O-N 2.93Å; V70-E72 VanDerWaalsContact C-N 3.34Å; V70-E72 PolarHBondContact O-N 3.34Å; V70-A73 PolarHBondContact O-N 3.29Å; V70-M74 WeakPolarHBondContact O-CG 3.43Å; V70-M74 PolarHBondContact O-N 2.97Å; V70-L116 HydrophobicContact CB-CD2 4.18Å; V70-L116 HydrophobicContact CG1-CD2 4.48Å; V70-L116 HydrophobicContact CG2-CD2 4.13Å; V70-P119 HydrophobicContact CG1-CB 3.74Å; V70-P119 HydrophobicContact CG1-CG 3.9Å; V70-F129 HydrophobicContact CG1-CE1 3.97Å; V70-F129 HydrophobicContact CG1-CE2 4.48Å; V70-F129 HydrophobicContact CG1-CZ 3.56Å
71I94.4Very high87.7Confident3 Ų351.5 Ų51.52%0.01533%0.326CS..Hα-helixtrans-61.4-45.1176-68.8170000110.2V67 D68 M74 C75 K92 F129 M130 L133V67-I71 HydrophobicContact CG1-CD1 3.65Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 WeakPolarHBondContact O-CB 3.4Å; V67-I71 VanDerWaalsContact O-CG1 3.25Å; V67-I71 WeakPolarHBondContact O-CG1 3.47Å; V67-I71 PolarHBondContact O-N 3.32Å; D68-I71 PolarHBondContact O-N 3.38Å; I71-M74 PolarHBondContact O-N 3.48Å; I71-C75 WeakPolarHBondContact O-CB 3.41Å; I71-C75 PolarHBondContact O-N 3.41Å; I71-C75 PolarHBondContact O-SG 3.44Å; I71-K92 HydrophobicContact CD1-CB 4.42Å; I71-K92 HydrophobicContact CD1-CG 4.05Å; I71-K92 HydrophobicContact CG2-CD 4.04Å; I71-K92 HydrophobicContact CG2-CG 4.43Å; I71-F129 HydrophobicContact CG1-CE1 4.28Å; I71-M130 HydrophobicContact CB-SD 4.39Å; I71-M130 HydrophobicContact CD1-CE 4.1Å; I71-M130 HydrophobicContact CD1-SD 3.82Å; I71-M130 HydrophobicContact CG1-SD 3.72Å; I71-M130 HydrophobicContact CG2-CE 4.46Å; I71-M130 HydrophobicContact CG2-SD 3.82Å; I71-L133 HydrophobicContact CD1-CD1 4.08Å; I71-L133 HydrophobicContact CG1-CD1 4.02Å
72E92.1Very high86Confident93 Ų9351.1 Ų51.144%0.43533%0.331SS..Hα-helixtrans-62.7-44.7178.3-72.7179.5-177.200112.2D68 K69 V70 M74 C75 N76 K92D68-E72 WeakPolarHBondContact O-CG 3.34Å; D68-E72 PolarHBondContact O-N 2.97Å; K69-E72 PolarHBondContact O-N 3.01Å; V70-E72 VanDerWaalsContact C-N 3.34Å; V70-E72 PolarHBondContact O-N 3.34Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 2.91Å; E72-C75 PolarHBondContact O-N 2.95Å; E72-N76 PolarHBondContact O-N 3.47Å; E72-N76 PolarHBondContact O-ND2 2.82Å; E72-N76 PolarHBondContact O-OD1 2.91Å; E72-K92 IonicContact OE1-NZ 2.6Å; E72-K92 PolarHBondContact OE1-NZ 3.46Å
73A92.2Very high84.4Confident65 Ų6557.3 Ų57.354%0.53737%0.369SS..Hα-helixtrans-59.6-38.6176.200000112.6K69 V70K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 3.31Å; V70-A73 PolarHBondContact O-N 3.29Å
74M90.3Very high83.2Confident17 Ų1758.9 Ų58.98%0.08439%0.386CS..Hα-helixtrans-72.2-37.8176.5-72.1-16680.100112.8V70 I71 E72 N76 G77 P119 V126 F129V70-M74 WeakPolarHBondContact O-CG 3.43Å; V70-M74 PolarHBondContact O-N 2.97Å; I71-M74 PolarHBondContact O-N 3.48Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 2.91Å; M74-N76 VanDerWaalsContact C-N 3.34Å; M74-G77 PolarHBondContact O-N 3.43Å; M74-P119 HydrophobicContact CE-CB 4.44Å; M74-P119 HydrophobicContact CG-CB 4.16Å; M74-P119 HydrophobicContact SD-CB 3.55Å; M74-P119 VanDerWaalsContact SD-CB 3.55Å; M74-V126 HydrophobicContact CB-CG2 4.1Å; M74-V126 WeakPolarHBondContact O-CG2 3.41Å; M74-F129 HydrophobicContact CE-CB 3.72Å; M74-F129 HydrophobicContact CE-CD1 4.24Å; M74-F129 HydrophobicContact CE-CD2 4.25Å; M74-F129 HydrophobicContact CE-CG 3.82Å; M74-F129 HydrophobicContact SD-CB 3.88Å; M74-F129 HydrophobicContact SD-CD1 3.22Å; M74-F129 WeakPolarHBondContact SD-CD1 3.44Å; M74-F129 HydrophobicContact SD-CD2 3.7Å; M74-F129 HydrophobicContact SD-CE1 3.52Å; M74-F129 VanDerWaalsContact SD-CE1 3.52Å; M74-F129 HydrophobicContact SD-CE2 4Å; M74-F129 HydrophobicContact SD-CG 3.3Å; M74-F129 WeakPolarHBondContact SD-CG 2.95Å; M74-F129 HydrophobicContact SD-CZ 3.92Å
75C88.8Confident82.2Confident29 Ų2959.7 Ų59.720%0.19639%0.39CS..Hα-helixtrans-68.3-31.1177.4-71.90000113I71 E72 G77 V78I71-C75 WeakPolarHBondContact O-CB 3.41Å; I71-C75 PolarHBondContact O-N 3.41Å; I71-C75 PolarHBondContact O-SG 3.44Å; E72-C75 PolarHBondContact O-N 2.95Å; C75-G77 PolarHBondContact O-N 2.93Å; C75-G77 VanDerWaalsContact O-N 3.08Å; C75-V78 WeakPolarHBondContact O-CB 3.39Å; C75-V78 PolarHBondContact O-N 3.05Å
76N83.9Confident81.4Confident132 Ų13261 Ų6171%0.70640%0.397SS*.THydrogen-bonded Turntrans-59.7-21.2178.9-72.1-17.8000113.5E72 M74E72-N76 PolarHBondContact O-N 3.47Å; E72-N76 PolarHBondContact O-ND2 2.82Å; E72-N76 PolarHBondContact O-OD1 2.91Å; M74-N76 VanDerWaalsContact C-N 3.34Å
77G72.2Confident81Confident73 Ų7365.3 Ų65.375%0.75342%0.42SS*.THydrogen-bonded Turntrans-85.3-6.617400000114.9M74 C75M74-G77 PolarHBondContact O-N 3.43Å; C75-G77 PolarHBondContact O-N 2.93Å; C75-G77 VanDerWaalsContact O-N 3.08Å
78V73Confident80.7Confident62 Ų6266.1 Ų66.138%0.37643%0.425SS..SBendtrans-99.5127.8-174.9-176.20000109.9C75 L85 V126C75-V78 WeakPolarHBondContact O-CB 3.39Å; C75-V78 PolarHBondContact O-N 3.05Å; V78-L85 HydrophobicContact CG1-CD2 4.33Å; V78-V126 HydrophobicContact CG2-CB 4.25Å; V78-V126 HydrophobicContact CG2-CG2 3.38Å
79S68Low80.5Confident83 Ų8366.3 Ų66.358%0.5844%0.435SS*.  trans-59.3131.6176.5-177.40000110.8S81S79-S81 PolarHBondContact O-N 3.23Å
80P65.4Low80.5Confident106 Ų10666.8 Ų66.869%0.68844%0.438SS*.THydrogen-bonded Turntrans-66.4-3.1-172.225.1-34.4000115.5L85P80-L85 HydrophobicContact CB-CD1 4.29Å
81S59.8Low80.4Confident115 Ų11567.2 Ų67.280%0.80444%0.44SS*.THydrogen-bonded Turntrans-92.14.7-175.2-53.80000114.8S79S79-S81 PolarHBondContact O-N 3.23Å
82G60.9Low80.5Confident39 Ų3969.2 Ų69.240%0.40245%0.448SS..  trans-86.5132.7177.800000113G84 L85G82-G84 PolarHBondContact O-N 3.47Å; G82-L85 PolarHBondContact O-N 3.46Å; G82-L85 VanDerWaalsContact O-N 3.16Å
83T61.9Low80.7Confident137 Ų13771 Ų7184%0.8445%0.452SS*.THydrogen-bonded Turntrans-49.1-26.1168.144.60000113.3L85T83-L85 VanDerWaalsContact C-N 3.28Å; T83-L85 PolarHBondContact O-N 2.94Å
84G72.2Confident80.9Confident34 Ų3473 Ų7335%0.35145%0.445SS..Hα-helixtrans-64.8-18.1179.700000115.9G82 S86 D87 V88G82-G84 PolarHBondContact O-N 3.47Å; G84-S86 PolarHBondContact O-N 3.4Å; G84-D87 PolarHBondContact O-N 2.92Å; G84-V88 VanDerWaalsContact O-CG2 3.28Å; G84-V88 WeakPolarHBondContact O-CG2 3.25Å; G84-V88 PolarHBondContact O-N 3.39Å
85L76.3Confident81.3Confident57 Ų5772.1 Ų72.130%0.29844%0.441SS..Hα-helixtrans-67.4-35.3-179.5-73.4-171.3000113.2V78 P80 G82 T83 V88 A89V78-L85 HydrophobicContact CG1-CD2 4.33Å; P80-L85 HydrophobicContact CB-CD1 4.29Å; G82-L85 PolarHBondContact O-N 3.46Å; G82-L85 VanDerWaalsContact O-N 3.16Å; T83-L85 VanDerWaalsContact C-N 3.28Å; T83-L85 PolarHBondContact O-N 2.94Å; L85-V88 PolarHBondContact O-N 2.91Å; L85-A89 PolarHBondContact O-N 3.03Å
86S79.5Confident81.7Confident67 Ų6772.6 Ų72.647%0.46944%0.441SS..Hα-helixtrans-65.7-41.6175.9-177.40000111G84 V88 A89 H90G84-S86 PolarHBondContact O-N 3.4Å; S86-V88 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3.45Å; S86-A89 PolarHBondContact O-N 3.17Å; S86-H90 PolarHBondContact O-N 3.22Å; S86-H90 PolarHBondContact O-ND1 3.39Å; S86-H90 PolarHBondContact OG-CE1 2.84Å
87D87.9Confident82.3Confident102 Ų10271.1 Ų71.155%0.54543%0.428SS..Hα-helixtrans-63-40.6176.5-68.3-23.7000111.9G84 H90 M91G84-D87 PolarHBondContact O-N 2.92Å; D87-H90 PolarHBondContact O-N 3.11Å; D87-M91 VanDerWaalsContact O-CB 3.32Å; D87-M91 WeakPolarHBondContact O-CB 3.45Å; D87-M91 PolarHBondContact O-N 3.33Å
88V90.7Very high83.5Confident17 Ų1773 Ų7310%0.10341%0.413CS..Hα-helixtrans-63.5-43.8175.3171.70000111G84 L85 S86 H90 M91 K92 V126 M130G84-V88 VanDerWaalsContact O-CG2 3.28Å; G84-V88 WeakPolarHBondContact O-CG2 3.25Å; G84-V88 PolarHBondContact O-N 3.39Å; L85-V88 PolarHBondContact O-N 2.91Å; S86-V88 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3.45Å; V88-H90 PolarHBondContact O-N 2.72Å; V88-M91 PolarHBondContact O-N 3.46Å; V88-K92 VanDerWaalsContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CB 3.47Å; V88-K92 PolarHBondContact O-N 2.99Å; V88-V126 HydrophobicContact CG1-CG1 4.3Å; V88-V126 HydrophobicContact CG2-CG1 4.07Å; V88-M130 HydrophobicContact CG1-CE 4.06Å; V88-M130 HydrophobicContact CG1-CG 4.11Å; V88-M130 HydrophobicContact CG1-SD 4.16Å; V88-M130 HydrophobicContact CG2-CG 4.31Å; V88-M130 WeakPolarHBondContact O-CE 3.49Å
89A91.6Very high84.7Confident57 Ų5770 Ų7047%0.47140%0.395SS..Hα-helixtrans-62.2-43.9177.300000112.2L85 S86 K92 Y93L85-A89 PolarHBondContact O-N 3.03Å; S86-A89 PolarHBondContact O-N 3.17Å; A89-K92 PolarHBondContact O-N 3.13Å; A89-Y93 PolarHBondContact O-N 3.1Å
90H93.3Very high86Confident106 Ų10668.7 Ų68.749%0.49139%0.385SS..Hα-helixtrans-63.8-41.2175.1-67.8141.5000112.3S86 D87 V88 Y93 R94S86-H90 PolarHBondContact O-N 3.22Å; S86-H90 PolarHBondContact O-ND1 3.39Å; S86-H90 PolarHBondContact OG-CE1 2.84Å; D87-H90 PolarHBondContact O-N 3.11Å; V88-H90 PolarHBondContact O-N 2.72Å; H90-Y93 PolarHBondContact O-N 2.95Å; H90-R94 WeakPolarHBondContact O-CG 3.49Å; H90-R94 PolarHBondContact O-N 3.36Å; H90-R94 VanDerWaalsContact O-N 3.1Å
91M94.9Very high87.5Confident18 Ų1868.3 Ų68.39%0.08938%0.377CS..Hα-helixtrans-67.6-40.7177.9-165.2172.5-63.800111.5D87 V88 Y93 R94 I95 M130 R131 E134D87-M91 VanDerWaalsContact O-CB 3.32Å; D87-M91 WeakPolarHBondContact O-CB 3.45Å; D87-M91 PolarHBondContact O-N 3.33Å; V88-M91 PolarHBondContact O-N 3.46Å; M91-Y93 VanDerWaalsContact C-N 3.35Å; M91-Y93 PolarHBondContact O-N 3.12Å; M91-R94 PolarHBondContact O-N 2.86Å; M91-I95 HydrophobicContact CG-CD1 3.99Å; M91-I95 WeakPolarHBondContact O-CD1 3.28Å; M91-I95 VanDerWaalsContact O-CG1 3.28Å; M91-I95 WeakPolarHBondContact O-CG1 3.43Å; M91-I95 PolarHBondContact O-N 3.41Å; M91-M130 HydrophobicContact CB-CE 3.78Å; M91-M130 HydrophobicContact CG-CB 4.38Å; M91-M130 HydrophobicContact CG-CE 3.99Å; M91-M130 HydrophobicContact SD-CB 3.45Å; M91-M130 WeakPolarHBondContact SD-CB 3.4Å; M91-R131 HydrophobicContact CE-CG 4.14Å; M91-R131 HydrophobicContact SD-CG 4.32Å; M91-E134 HydrophobicContact CG-CB 4.24Å; M91-E134 HydrophobicContact SD-CB 4.25Å
92K96.1Very high89.3Confident44 Ų4464.1 Ų64.119%0.19135%0.345CS..Hα-helixtrans-55.7-49172.6-179.9-179.8176.61750110.6D68 I71 E72 V88 A89 R94 I95 M96 M130D68-K92 WeakPolarHBondContact OD1-CE 3.32Å; D68-K92 IonicContact OD1-NZ 2.78Å; D68-K92 PolarHBondContact OD1-NZ 3.22Å; I71-K92 HydrophobicContact CD1-CB 4.42Å; I71-K92 HydrophobicContact CD1-CG 4.05Å; I71-K92 HydrophobicContact CG2-CD 4.04Å; I71-K92 HydrophobicContact CG2-CG 4.43Å; E72-K92 IonicContact OE1-NZ 2.6Å; E72-K92 PolarHBondContact OE1-NZ 3.46Å; V88-K92 VanDerWaalsContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CB 3.47Å; V88-K92 PolarHBondContact O-N 2.99Å; A89-K92 PolarHBondContact O-N 3.13Å; K92-R94 PolarHBondContact O-N 3.36Å; K92-I95 PolarHBondContact O-N 3.09Å; K92-M96 HydrophobicContact CG-CG 4.36Å; K92-M96 WeakPolarHBondContact O-CB 3.29Å; K92-M96 VanDerWaalsContact O-CG 3.27Å; K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 3.16Å; K92-M130 HydrophobicContact CB-CE 3.97Å
93Y96.4Very high90.9Very high131 Ų13171.4 Ų71.451%0.51437%0.368SS..Hα-helixtrans-57.4-47.6176.5173.8-97.6000112.3A89 H90 M91 I95 M96 K97A89-Y93 PolarHBondContact O-N 3.1Å; H90-Y93 PolarHBondContact O-N 2.95Å; M91-Y93 VanDerWaalsContact C-N 3.35Å; M91-Y93 PolarHBondContact O-N 3.12Å; Y93-I95 PolarHBondContact O-N 3.02Å; Y93-M96 PolarHBondContact O-N 2.59Å; Y93-K97 HydrophobicContact CE1-CD 4.27Å; Y93-K97 WeakPolarHBondContact O-CB 3.22Å; Y93-K97 PolarHBondContact O-N 3.11Å
94R96.5Very high92.5Very high106 Ų10666 Ų6640%0.434%0.337SS..Hα-helixtrans-61.5-42.8177.9-69.1-168.2-55.4-87.73.7112.1H90 M91 K92 R98 E134H90-R94 WeakPolarHBondContact O-CG 3.49Å; H90-R94 PolarHBondContact O-N 3.36Å; H90-R94 VanDerWaalsContact O-N 3.1Å; M91-R94 PolarHBondContact O-N 2.86Å; K92-R94 PolarHBondContact O-N 3.36Å; R94-R98 WeakPolarHBondContact O-CG 3.25Å; R94-R98 PolarHBondContact O-N 3.14Å; R94-E134 IonicContact CZ-OE1 3.24Å; R94-E134 VanDerWaalsContact CZ-OE1 3.23Å; R94-E134 IonicContact NE-OE1 2.77Å; R94-E134 PolarHBondContact NE-OE1 3.24Å; R94-E134 IonicContact NH2-OE1 2.8Å; R94-E134 PolarHBondContact NH2-OE1 2.89Å; R94-E134 IonicContact NH2-OE2 3.23Å
95I97.7Very high93.7Very high0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-61.9-51.1178.2-70.7161.7000110.6V67 M91 K92 Y93 K97 R98 L99 M130 L133 E134 V137V67-I95 HydrophobicContact CG1-CG2 4Å; M91-I95 HydrophobicContact CG-CD1 3.99Å; M91-I95 WeakPolarHBondContact O-CD1 3.28Å; M91-I95 VanDerWaalsContact O-CG1 3.28Å; M91-I95 WeakPolarHBondContact O-CG1 3.43Å; M91-I95 PolarHBondContact O-N 3.41Å; K92-I95 PolarHBondContact O-N 3.09Å; Y93-I95 PolarHBondContact O-N 3.02Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.42Å; I95-R98 PolarHBondContact O-N 3.48Å; I95-L99 HydrophobicContact CG2-CD1 4.01Å; I95-L99 WeakPolarHBondContact O-CG 3.48Å; I95-L99 PolarHBondContact O-N 3Å; I95-M130 HydrophobicContact CD1-CE 3.82Å; I95-L133 HydrophobicContact CD1-CB 3.83Å; I95-E134 HydrophobicContact CD1-CB 4.27Å; I95-E134 HydrophobicContact CG1-CB 4.16Å; I95-V137 HydrophobicContact CB-CG2 4.33Å; I95-V137 HydrophobicContact CG1-CG2 4.12Å; I95-V137 HydrophobicContact CG2-CG1 4.4Å; I95-V137 HydrophobicContact CG2-CG2 4.18Å
96M97.8Very high94.7Very high38 Ų3861.8 Ų61.819%0.18731%0.308CS..Hα-helixtrans-62.6-41.1-178.5-66.9-63.4-7800111.7M64 V67 D68 K92 Y93 L99 S100M64-M96 HydrophobicContact CB-CE 4.01Å; M64-M96 HydrophobicContact CE-CE 4.06Å; M64-M96 WeakPolarHBondContact O-CE 3.43Å; V67-M96 HydrophobicContact CB-SD 4.28Å; V67-M96 HydrophobicContact CG1-SD 3.93Å; D68-M96 HydrophobicContact CB-CE 4.17Å; K92-M96 HydrophobicContact CG-CG 4.36Å; K92-M96 WeakPolarHBondContact O-CB 3.29Å; K92-M96 VanDerWaalsContact O-CG 3.27Å; K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 3.16Å; Y93-M96 PolarHBondContact O-N 2.59Å; M96-L99 PolarHBondContact O-N 3.34Å; M96-S100 PolarHBondContact O-N 2.82Å
97K97.3Very high95.4Very high101 Ų10161.8 Ų61.844%0.43930%0.299SS..Hα-helixtrans-62.3-45.4174.3-177.5174.8-179.3176.30111.9Y93 I95 L99 S100 D101Y93-K97 HydrophobicContact CE1-CD 4.27Å; Y93-K97 WeakPolarHBondContact O-CB 3.22Å; Y93-K97 PolarHBondContact O-N 3.11Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.42Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 3.46Å; K97-S100 WeakPolarHBondContact CA-OG 3.27Å; K97-S100 PolarHBondContact O-N 2.97Å; K97-S100 VanDerWaalsContact O-N 3.17Å; K97-S100 PolarHBondContact O-OG 2.66Å; K97-D101 PolarHBondContact O-N 2.91Å; K97-D101 VanDerWaalsContact O-N 3.14Å
98R96.8Very high95.9Very high113 Ų11357.9 Ų57.943%0.42628%0.279SS..Hα-helixtrans-63.9-38.1177.6-71.2-56.9-174.1118.9-3.6112.4R94 I95 S100 D101 F102 V137R94-R98 WeakPolarHBondContact O-CG 3.25Å; R94-R98 PolarHBondContact O-N 3.14Å; I95-R98 PolarHBondContact O-N 3.48Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.38Å; R98-D101 PolarHBondContact O-N 2.91Å; R98-F102 WeakPolarHBondContact O-CD2 3.32Å; R98-F102 WeakPolarHBondContact O-CE2 3.47Å; R98-V137 HydrophobicContact CB-CB 4.34Å; R98-V137 HydrophobicContact CB-CG2 4.13Å
99L97.4Very high96.2Very high0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-64.3-34174.2-74.3169.4000112.9W56 Q60 M64 V67 I95 M96 K97 L112 V137W56-L99 HydrophobicContact CH2-CD2 4.41Å; W56-L99 HydrophobicContact CZ2-CD2 4.32Å; Q60-L99 PolarHBondContact NE2-O 3.02Å; M64-L99 HydrophobicContact CG-CB 3.92Å; M64-L99 HydrophobicContact CG-CD1 4.45Å; M64-L99 HydrophobicContact SD-CB 4.45Å; V67-L99 HydrophobicContact CB-CD1 4.35Å; V67-L99 HydrophobicContact CG1-CD1 4.32Å; V67-L99 HydrophobicContact CG2-CD1 3.81Å; I95-L99 HydrophobicContact CG2-CD1 4.01Å; I95-L99 WeakPolarHBondContact O-CG 3.48Å; I95-L99 PolarHBondContact O-N 3Å; M96-L99 PolarHBondContact O-N 3.34Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 3.46Å; L99-L112 HydrophobicContact CD2-CD2 3.9Å; L99-V137 HydrophobicContact CD1-CG1 4.33Å; L99-V137 HydrophobicContact CD2-CB 4.48Å; L99-V137 HydrophobicContact CD2-CG1 3.67Å; L99-V137 HydrophobicContact CG-CB 4.49Å; L99-V137 HydrophobicContact CG-CG1 3.85Å
100S96.8Very high96.5Very high55 Ų5558 Ų5839%0.38527%0.269SS..Hα-helixtrans-70.6-31.3176.161.80000113.3Q60 M96 K97 R98Q60-S100 VanDerWaalsContact NE2-CA 3.29Å; Q60-S100 PolarHBondContact NE2-O 3.1Å; Q60-S100 VanDerWaalsContact NE2-O 3.13Å; M96-S100 PolarHBondContact O-N 2.82Å; K97-S100 WeakPolarHBondContact CA-OG 3.27Å; K97-S100 PolarHBondContact O-N 2.97Å; K97-S100 VanDerWaalsContact O-N 3.17Å; K97-S100 PolarHBondContact O-OG 2.66Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.38Å
101D96.6Very high96.7Very high97 Ų9756.3 Ų56.352%0.51926%0.258SS..Hα-helixtrans-80.9-12.5-172-64-12.5000113.8K97 R98K97-D101 PolarHBondContact O-N 2.91Å; K97-D101 VanDerWaalsContact O-N 3.14Å; R98-D101 PolarHBondContact O-N 2.91Å
102F96.2Very high96.9Very high27 Ų2755.5 Ų55.512%0.11825%0.254CS..  trans-72.2128.6178.7-81.3-66.3000112.4W56 R98 A104 P106 V137 V139 T142W56-F102 VanDerWaalsContact CD1-O 3.23Å; W56-F102 PolarHBondContact NE1-O 3.45Å; R98-F102 WeakPolarHBondContact O-CD2 3.32Å; R98-F102 WeakPolarHBondContact O-CE2 3.47Å; F102-A104 WeakPolarHBondContact CB-O 3.49Å; F102-P106 HydrophobicContact CD1-CB 4.46Å; F102-P106 HydrophobicContact CD2-CB 4.47Å; F102-P106 HydrophobicContact CD2-CG 4.46Å; F102-P106 HydrophobicContact CE1-CB 4.03Å; F102-P106 HydrophobicContact CE2-CB 4.05Å; F102-P106 HydrophobicContact CE2-CG 4.31Å; F102-P106 HydrophobicContact CZ-CB 3.82Å; F102-V137 WeakPolarHBondContact CZ-O 3.46Å; F102-V139 HydrophobicContact CE1-CG2 4.23Å; F102-V139 HydrophobicContact CZ-CG2 3.79Å; F102-V139 WeakPolarHBondContact CZ-O 3.42Å; F102-T142 HydrophobicContact CD1-CG2 3.92Å; F102-T142 HydrophobicContact CE1-CG2 4.4Å
103E94.4Very high96.9Very high192 Ų19253.4 Ų53.490%0.89725%0.245SC*.SBendtrans-77.5-33173.1-62.8-177.7176.400112.5
104A96.4Very high97Very high23 Ų2350.2 Ų50.219%0.1924%0.235CC..SBendtrans-133.7170.3177.100000110.7F102 T142F102-A104 WeakPolarHBondContact CB-O 3.49Å; A104-T142 HydrophobicContact CB-CG2 4.04Å; A104-T142 WeakPolarHBondContact O-CG2 3.47Å
105A96.9Very high97Very high3 Ų345.2 Ų45.23%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-64.7134.8-174.400000110.3P52 W56 T142 V143P52-A105 HydrophobicContact CB-CB 4.24Å; P52-A105 HydrophobicContact CG-CB 3.59Å; W56-A105 HydrophobicContact CB-CB 4.37Å; W56-A105 HydrophobicContact CD2-CB 4.21Å; W56-A105 HydrophobicContact CE3-CB 3.79Å; W56-A105 HydrophobicContact CG-CB 4.47Å; W56-A105 HydrophobicContact CZ3-CB 4.49Å; A105-T142 CarbonylContact O-C 3.48Å; A105-T142 WeakPolarHBondContact O-CA 3.48Å; A105-T142 WeakPolarHBondContact O-CB 2.71Å; A105-V143 HydrophobicContact CB-CG2 4.14Å; A105-V143 PolarHBondContact O-N 3.29Å
106P97.2Very high97Very high0 Ų045.2 Ų45.20%022%0.216CC..EExtended strand (participates in β ladder)trans-62.6146.2177.226.2-34.5000110.4F102 T108 I109 V139F102-P106 HydrophobicContact CD1-CB 4.46Å; F102-P106 HydrophobicContact CD2-CB 4.47Å; F102-P106 HydrophobicContact CD2-CG 4.46Å; F102-P106 HydrophobicContact CE1-CB 4.03Å; F102-P106 HydrophobicContact CE2-CB 4.05Å; F102-P106 HydrophobicContact CE2-CG 4.31Å; F102-P106 HydrophobicContact CZ-CB 3.82Å; P106-T108 PolarHBondContact O-N 2.94Å; P106-I109 VanDerWaalsContact O-CB 3.27Å; P106-I109 WeakPolarHBondContact O-CB 3.41Å; P106-I109 PolarHBondContact O-N 3.36Å; P106-V139 HydrophobicContact CB-CG2 3.57Å
107F95.8Very high96.9Very high67 Ų6745.2 Ų45.229%0.29422%0.217SC..THydrogen-bonded Turntrans-60.7-18.9-179.581.6-100.8000114.1I109 V139 S141 V143 R149F107-I109 VanDerWaalsContact C-N 3.28Å; F107-V139 HydrophobicContact CD1-CB 3.81Å; F107-V139 HydrophobicContact CD1-CG1 4Å; F107-V139 HydrophobicContact CD1-CG2 4.12Å; F107-V139 HydrophobicContact CE1-CB 3.48Å; F107-V139 VanDerWaalsContact CE1-CB 3.48Å; F107-V139 HydrophobicContact CE1-CG1 3.35Å; F107-V139 HydrophobicContact CE1-CG2 4.27Å; F107-V139 HydrophobicContact CZ-CB 4.36Å; F107-V139 HydrophobicContact CZ-CG1 3.73Å; F107-S141 WeakPolarHBondContact CD1-O 3.36Å; F107-S141 WeakPolarHBondContact CD1-OG 3.42Å; F107-S141 WeakPolarHBondContact CE1-OG 3.36Å; F107-S141 PolarHBondContact N-O 3.45Å; F107-V143 HydrophobicContact CB-CG1 3.86Å; F107-R149 VanDerWaalsContact CB-NH1 3.29Å; F107-R149 VanDerWaalsContact CD2-CZ 3.45Å
108T97.4Very high96.7Very high20 Ų2045.7 Ų45.712%0.12322%0.219CC..THydrogen-bonded Turntrans-85.68.3176.543.60000113.1P106 Q110 R111 L112 T136 V139P106-T108 PolarHBondContact O-N 2.94Å; T108-Q110 PolarHBondContact O-N 2.89Å; T108-Q110 VanDerWaalsContact O-N 3.11Å; T108-R111 WeakPolarHBondContact O-CA 3.39Å; T108-R111 PolarHBondContact O-N 2.89Å; T108-L112 PolarHBondContact O-N 2.86Å; T108-T136 WeakPolarHBondContact CB-O 3.45Å; T108-T136 PolarHBondContact OG1-O 3.37Å; T108-V139 HydrophobicContact CG2-CG1 3.56Å
109I97.6Very high96.5Very high2 Ų241.4 Ų41.41%0.0121%0.206CC..Hα-helixtrans-52-37.3-177.6-170.762000112.7V46 P52 W56 P106 F107 L112 C113 V143V46-I109 HydrophobicContact CG1-CG1 3.72Å; V46-I109 HydrophobicContact CG1-CG2 4.35Å; P52-I109 HydrophobicContact CG-CG2 4.19Å; W56-I109 HydrophobicContact CH2-CD1 4.35Å; W56-I109 HydrophobicContact CZ3-CD1 3.8Å; P106-I109 VanDerWaalsContact O-CB 3.27Å; P106-I109 WeakPolarHBondContact O-CB 3.41Å; P106-I109 PolarHBondContact O-N 3.36Å; F107-I109 VanDerWaalsContact C-N 3.28Å; I109-L112 HydrophobicContact CD1-CD2 4.21Å; I109-L112 PolarHBondContact O-N 3.27Å; I109-C113 PolarHBondContact O-N 3.15Å; I109-C113 PolarHBondContact O-SG 2.91Å; I109-C113 VanDerWaalsContact O-SG 3.33Å; I109-V143 HydrophobicContact CG2-CG2 4.32Å
110Q97.5Very high96.2Very high76 Ų7646.3 Ų46.336%0.35523%0.232SC..Hα-helixtrans-56.4-54.3173.6-166.9176.6-11.900111.3A47 T108 L112 C113 E114A47-Q110 WeakPolarHBondContact O-CG 3.14Å; A47-Q110 PolarHBondContact O-NE2 3.29Å; A47-Q110 VanDerWaalsContact O-NE2 3.08Å; T108-Q110 PolarHBondContact O-N 2.89Å; T108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 2.87Å; Q110-C113 PolarHBondContact O-N 3.21Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 3.11Å
111R97.4Very high95.8Very high69 Ų6949 Ų4926%0.2624%0.238SC..Hα-helixtrans-64.9-37.1-179-178.355.4-177.7161.90.1111.7T108 E114 L115 T136T108-R111 WeakPolarHBondContact O-CA 3.39Å; T108-R111 PolarHBondContact O-N 2.89Å; R111-E114 WeakPolarHBondContact CD-OE2 3.42Å; R111-E114 IonicContact CZ-OE2 3.38Å; R111-E114 IonicContact NE-OE2 2.66Å; R111-E114 IonicContact NH1-OE2 2.83Å; R111-E114 PolarHBondContact NH1-OE2 3.29Å; R111-E114 PolarHBondContact O-N 3.41Å; R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.22Å; R111-L115 VanDerWaalsContact O-N 3.15Å; R111-T136 HydrophobicContact CB-CG2 4.27Å; R111-T136 HydrophobicContact CG-CG2 3.64Å
112L98Very high95.2Very high1 Ų149.4 Ų49.41%0.00524%0.237CC..Hα-helixtrans-60.1-49.8174.7179.859000110.5I63 V67 L99 T108 I109 Q110 E114 L115 L116 L133I63-L112 HydrophobicContact CG2-CD2 3.78Å; I63-L112 HydrophobicContact CG2-CG 4.48Å; V67-L112 HydrophobicContact CG2-CD1 4.38Å; L99-L112 HydrophobicContact CD2-CD2 3.9Å; T108-L112 PolarHBondContact O-N 2.86Å; I109-L112 HydrophobicContact CD1-CD2 4.21Å; I109-L112 PolarHBondContact O-N 3.27Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 2.87Å; L112-E114 PolarHBondContact O-N 2.63Å; L112-L115 PolarHBondContact O-N 3.15Å; L112-L116 HydrophobicContact CD1-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CG 4.45Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.09Å; L112-L133 HydrophobicContact CD1-CD2 3.68Å
113C97.8Very high95Very high0 Ų051.2 Ų51.20%024%0.243CC..Hα-helixtrans-63.4-38.1178.9-68.40000112.9L43 V46 A47 I109 Q110 L115 L116 L117L43-C113 HydrophobicContact CD2-CB 4.39Å; V46-C113 HydrophobicContact CB-CB 4.35Å; V46-C113 HydrophobicContact CG1-CB 4.34Å; V46-C113 VanDerWaalsContact CG1-SG 3.59Å; A47-C113 HydrophobicContact CB-CB 3.84Å; I109-C113 PolarHBondContact O-N 3.15Å; I109-C113 PolarHBondContact O-SG 2.91Å; I109-C113 VanDerWaalsContact O-SG 3.33Å; Q110-C113 PolarHBondContact O-N 3.21Å; C113-L115 PolarHBondContact O-N 3.14Å; C113-L116 PolarHBondContact O-N 2.99Å; C113-L117 VanDerWaalsContact O-CG 3.29Å; C113-L117 WeakPolarHBondContact O-CG 3.32Å; C113-L117 PolarHBondContact O-N 3.41Å
114E97.5Very high94.6Very high65 Ų6551.2 Ų51.230%0.30424%0.24SC..Hα-helixtrans-57.2-46.5172.7-71172.217800112.4A47 Q110 R111 L112 L116 L117 K118A47-E114 HydrophobicContact CB-CG 3.93Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 3.11Å; R111-E114 WeakPolarHBondContact CD-OE2 3.42Å; R111-E114 IonicContact CZ-OE2 3.38Å; R111-E114 IonicContact NE-OE2 2.66Å; R111-E114 IonicContact NH1-OE2 2.83Å; R111-E114 PolarHBondContact NH1-OE2 3.29Å; R111-E114 PolarHBondContact O-N 3.41Å; L112-E114 PolarHBondContact O-N 2.63Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 3.41Å; E114-L117 PolarHBondContact O-N 2.93Å; E114-K118 PolarHBondContact O-N 3.02Å
115L97.2Very high94.3Very high1 Ų154.9 Ų54.91%0.00525%0.254CS..Hα-helixtrans-62.5-38.7178.6-69.2176000111.8R111 L112 C113 K118 P119 Y123 F129 A132 L133 T136R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.22Å; R111-L115 VanDerWaalsContact O-N 3.15Å; L112-L115 PolarHBondContact O-N 3.15Å; C113-L115 PolarHBondContact O-N 3.14Å; L115-K118 CarbonylContact O-C 3.56Å; L115-P119 VanDerWaalsContact O-CA 3.29Å; L115-P119 WeakPolarHBondContact O-CA 3.38Å; L115-Y123 HydrophobicContact CD2-CD2 3.97Å; L115-Y123 HydrophobicContact CD2-CE2 3.62Å; L115-F129 HydrophobicContact CB-CE2 4.16Å; L115-A132 HydrophobicContact CD1-CB 4.31Å; L115-L133 HydrophobicContact CB-CD2 4.13Å; L115-L133 HydrophobicContact CD1-CD2 3.88Å; L115-L133 HydrophobicContact CD1-CG 4.41Å; L115-T136 HydrophobicContact CD1-CG2 3.83Å
116L97Very high94.1Very high0 Ų055.6 Ų55.60%026%0.258CS..Hα-helixtrans-73.4-32.9-179.4-64.8176.5000113.3L43 I63 Q66 V67 V70 L112 C113 E114L43-L116 HydrophobicContact CD2-CD1 4.49Å; I63-L116 HydrophobicContact CG2-CD1 4.27Å; Q66-L116 HydrophobicContact CB-CD1 4.4Å; Q66-L116 HydrophobicContact CG-CB 4.13Å; Q66-L116 HydrophobicContact CG-CD1 4.13Å; Q66-L116 HydrophobicContact CG-CD2 4.45Å; Q66-L116 HydrophobicContact CG-CG 4.46Å; V67-L116 HydrophobicContact CB-CD2 4.27Å; V67-L116 HydrophobicContact CG2-CD1 3.89Å; V67-L116 HydrophobicContact CG2-CD2 3.69Å; V67-L116 HydrophobicContact CG2-CG 4.36Å; V70-L116 HydrophobicContact CB-CD2 4.18Å; V70-L116 HydrophobicContact CG1-CD2 4.48Å; V70-L116 HydrophobicContact CG2-CD2 4.13Å; L112-L116 HydrophobicContact CD1-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CG 4.45Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.09Å; C113-L116 PolarHBondContact O-N 2.99Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 3.41Å
117L95.6Very high93.8Very high38 Ų3859.1 Ų59.120%0.19928%0.276CS..Hα-helixtrans-71.8-38.2176.9-74.5165.5000112.3Y40 L43 A44 A47 C113 E114Y40-L117 HydrophobicContact CD1-CD2 3.51Å; Y40-L117 HydrophobicContact CE1-CD2 3.74Å; L43-L117 HydrophobicContact CB-CD1 4.34Å; L43-L117 HydrophobicContact CB-CD2 3.63Å; L43-L117 HydrophobicContact CB-CG 3.95Å; L43-L117 HydrophobicContact CD1-CD2 4.36Å; A44-L117 HydrophobicContact CB-CD1 4.17Å; A44-L117 HydrophobicContact CB-CD2 4.4Å; A47-L117 HydrophobicContact CB-CD1 3.5Å; C113-L117 VanDerWaalsContact O-CG 3.29Å; C113-L117 WeakPolarHBondContact O-CG 3.32Å; C113-L117 PolarHBondContact O-N 3.41Å; E114-L117 PolarHBondContact O-N 2.93Å
118K93.7Very high93.6Very high111 Ų11161 Ų6148%0.48329%0.285SS..  trans-13965.7-171.3-62.9179.9179.61770111.7E114 L115 N120 E121E114-K118 PolarHBondContact O-N 3.02Å; L115-K118 CarbonylContact O-C 3.56Å; K118-N120 PolarHBondContact O-N 3.14Å; K118-N120 VanDerWaalsContact O-N 3.16Å; K118-E121 HydrophobicContact CB-CB 3.82Å; K118-E121 HydrophobicContact CD-CB 4.38Å; K118-E121 VanDerWaalsContact CD-CD 3.4Å; K118-E121 HydrophobicContact CD-CG 4.48Å; K118-E121 WeakPolarHBondContact CD-OE1 3.38Å; K118-E121 WeakPolarHBondContact CD-OE2 3.44Å; K118-E121 IonicContact NZ-OE1 2.63Å; K118-E121 PolarHBondContact NZ-OE1 3.36Å; K118-E121 IonicContact NZ-OE2 3.93Å; K118-E121 PolarHBondContact NZ-OE2 2.86Å; K118-E121 PolarHBondContact O-N 3.49Å; K118-E121 VanDerWaalsContact O-N 3.14Å
119P92.4Very high93.5Very high23 Ų2360.1 Ų60.115%0.14928%0.279CS..Hα-helixtrans-56.4-37.5-176.119.6-32.6000113.3V70 M74 L115 F129V70-P119 HydrophobicContact CG1-CB 3.74Å; V70-P119 HydrophobicContact CG1-CG 3.9Å; M74-P119 HydrophobicContact CE-CB 4.44Å; M74-P119 HydrophobicContact CG-CB 4.16Å; M74-P119 HydrophobicContact SD-CB 3.55Å; M74-P119 VanDerWaalsContact SD-CB 3.55Å; L115-P119 VanDerWaalsContact O-CA 3.29Å; L115-P119 WeakPolarHBondContact O-CA 3.38Å; P119-F129 HydrophobicContact CB-CD2 4.22Å; P119-F129 HydrophobicContact CB-CE2 3.68Å; P119-F129 HydrophobicContact CB-CZ 4.01Å
120N90.2Very high93.4Very high103 Ų10360 Ų6055%0.55128%0.279SS*.Hα-helixtrans-88.2-5.3-175.4-64.2-54.6000114.7K118K118-N120 PolarHBondContact O-N 3.14Å; K118-N120 VanDerWaalsContact O-N 3.16Å
121E88.8Confident93.3Very high111 Ų11163.5 Ų63.552%0.51929%0.288SS..Hα-helixtrans-69.5-42.7-177.1-177.1175.1-129.200111.2K118K118-E121 HydrophobicContact CB-CB 3.82Å; K118-E121 HydrophobicContact CD-CB 4.38Å; K118-E121 VanDerWaalsContact CD-CD 3.4Å; K118-E121 HydrophobicContact CD-CG 4.48Å; K118-E121 WeakPolarHBondContact CD-OE1 3.38Å; K118-E121 WeakPolarHBondContact CD-OE2 3.44Å; K118-E121 IonicContact NZ-OE1 2.63Å; K118-E121 PolarHBondContact NZ-OE1 3.36Å; K118-E121 IonicContact NZ-OE2 3.93Å; K118-E121 PolarHBondContact NZ-OE2 2.86Å; K118-E121 PolarHBondContact O-N 3.49Å; K118-E121 VanDerWaalsContact O-N 3.14Å
122H84.9Confident93.3Very high105 Ų10560.7 Ų60.749%0.48628%0.28SS..Hα-helixtrans-108-26.1-176.7-56.895.1000113
123Y90.6Very high93.2Very high65 Ų6560.7 Ų60.726%0.25528%0.28SS..  trans-131.1104.4-174-56.7-70.3000111.2L115 K128 F129 A132L115-Y123 HydrophobicContact CD2-CD2 3.97Å; L115-Y123 HydrophobicContact CD2-CE2 3.62Å; Y123-K128 HydrophobicContact CD1-CB 3.79Å; Y123-K128 HydrophobicContact CG-CB 4.5Å; Y123-F129 HydrophobicContact CD2-CD2 4.25Å; Y123-F129 HydrophobicContact CG-CB 4.43Å; Y123-A132 HydrophobicContact CD2-CB 4.12Å; Y123-A132 HydrophobicContact CE1-CB 4.24Å; Y123-A132 HydrophobicContact CE2-CB 3.48Å; Y123-A132 VanDerWaalsContact CE2-CB 3.48Å
124K87.9Confident93.2Very high192 Ų19262.9 Ų62.984%0.83529%0.29SS*.SBendtrans-79.8-21176.1-61.7-176-179.9-178.50113.5
125Q88.8Confident93.1Very high101 Ų10167.1 Ų67.147%0.47231%0.308SS..SBendtrans-107.9136.7-177.4-59.5176.5-27.600109.8D127 K128 F129Q125-D127 WeakPolarHBondContact CB-OD1 3.4Å; Q125-D127 PolarHBondContact O-N 2.9Å; Q125-K128 PolarHBondContact O-N 3.5Å; Q125-F129 PolarHBondContact O-N 3.06Å; Q125-F129 VanDerWaalsContact O-N 3.15Å
126V92.2Very high93.1Very high17 Ų1767.6 Ų67.610%0.10331%0.311CS..Hα-helixtrans-62.8-41-174.5-179.40000111.7M74 V78 V88 K128 F129 M130M74-V126 HydrophobicContact CB-CG2 4.1Å; M74-V126 WeakPolarHBondContact O-CG2 3.41Å; V78-V126 HydrophobicContact CG2-CB 4.25Å; V78-V126 HydrophobicContact CG2-CG2 3.38Å; V88-V126 HydrophobicContact CG1-CG1 4.3Å; V88-V126 HydrophobicContact CG2-CG1 4.07Å; V126-K128 VanDerWaalsContact C-N 3.35Å; V126-K128 PolarHBondContact O-N 3.1Å; V126-F129 PolarHBondContact O-N 3.38Å; V126-M130 HydrophobicContact CG1-CG 3.95Å; V126-M130 WeakPolarHBondContact O-CB 3.45Å; V126-M130 WeakPolarHBondContact O-CG 3.44Å; V126-M130 PolarHBondContact O-N 3.31Å
127D90.9Very high93.1Very high74 Ų7467.7 Ų67.740%0.39631%0.311SS..Hα-helixtrans-57.2-44.9177.766.4-39.6000112.5Q125 M130 R131Q125-D127 WeakPolarHBondContact CB-OD1 3.4Å; Q125-D127 PolarHBondContact O-N 2.9Å; D127-M130 PolarHBondContact O-N 3.02Å; D127-R131 VanDerWaalsContact O-CG 3.29Å; D127-R131 WeakPolarHBondContact O-CG 3.48Å; D127-R131 PolarHBondContact O-N 2.74Å
128K92.8Very high93.2Very high108 Ų10871.5 Ų71.547%0.4733%0.328SS..Hα-helixtrans-68.4-41.2178.5-66-178.4179.7171.70111.7Y123 Q125 V126 R131 A132Y123-K128 HydrophobicContact CD1-CB 3.79Å; Y123-K128 HydrophobicContact CG-CB 4.5Å; Q125-K128 PolarHBondContact O-N 3.5Å; V126-K128 VanDerWaalsContact C-N 3.35Å; V126-K128 PolarHBondContact O-N 3.1Å; K128-R131 PolarHBondContact O-N 3.28Å; K128-A132 WeakPolarHBondContact O-CB 3.28Å; K128-A132 PolarHBondContact O-N 3.05Å
129F95.2Very high93.3Very high0 Ų067.2 Ų67.20%031%0.311CS..Hα-helixtrans-61.6-46.8175.2177.4-100.1000111.5V70 I71 M74 L115 P119 Y123 Q125 V126 R131 A132 L133V70-F129 HydrophobicContact CG1-CE1 3.97Å; V70-F129 HydrophobicContact CG1-CE2 4.48Å; V70-F129 HydrophobicContact CG1-CZ 3.56Å; I71-F129 HydrophobicContact CG1-CE1 4.28Å; M74-F129 HydrophobicContact CE-CB 3.72Å; M74-F129 HydrophobicContact CE-CD1 4.24Å; M74-F129 HydrophobicContact CE-CD2 4.25Å; M74-F129 HydrophobicContact CE-CG 3.82Å; M74-F129 HydrophobicContact SD-CB 3.88Å; M74-F129 HydrophobicContact SD-CD1 3.22Å; M74-F129 WeakPolarHBondContact SD-CD1 3.44Å; M74-F129 HydrophobicContact SD-CD2 3.7Å; M74-F129 HydrophobicContact SD-CE1 3.52Å; M74-F129 VanDerWaalsContact SD-CE1 3.52Å; M74-F129 HydrophobicContact SD-CE2 4Å; M74-F129 HydrophobicContact SD-CG 3.3Å; M74-F129 WeakPolarHBondContact SD-CG 2.95Å; M74-F129 HydrophobicContact SD-CZ 3.92Å; L115-F129 HydrophobicContact CB-CE2 4.16Å; P119-F129 HydrophobicContact CB-CD2 4.22Å; P119-F129 HydrophobicContact CB-CE2 3.68Å; P119-F129 HydrophobicContact CB-CZ 4.01Å; Y123-F129 HydrophobicContact CD2-CD2 4.25Å; Y123-F129 HydrophobicContact CG-CB 4.43Å; Q125-F129 PolarHBondContact O-N 3.06Å; Q125-F129 VanDerWaalsContact O-N 3.15Å; V126-F129 PolarHBondContact O-N 3.38Å; F129-R131 VanDerWaalsContact C-N 3.35Å; F129-R131 PolarHBondContact O-N 3.03Å; F129-A132 WeakPolarHBondContact O-CB 3.32Å; F129-A132 PolarHBondContact O-N 3.46Å; F129-A132 VanDerWaalsContact O-N 3.1Å; F129-L133 HydrophobicContact CD1-CD1 3.91Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.21Å; F129-L133 HydrophobicContact CE1-CG 3.89Å; F129-L133 HydrophobicContact CE2-CG 4.39Å; F129-L133 HydrophobicContact CZ-CD1 3.56Å; F129-L133 HydrophobicContact CZ-CD2 4.28Å; F129-L133 HydrophobicContact CZ-CG 3.88Å; F129-L133 PolarHBondContact O-N 3.42Å
130M95.8Very high93.3Very high1 Ų172.8 Ų72.81%0.00534%0.344CS..Hα-helixtrans-60.5-43.4178.3-70.8-64.1-62.700111.5I71 V88 M91 K92 I95 V126 D127 A132 L133 E134I71-M130 HydrophobicContact CB-SD 4.39Å; I71-M130 HydrophobicContact CD1-CE 4.1Å; I71-M130 HydrophobicContact CD1-SD 3.82Å; I71-M130 HydrophobicContact CG1-SD 3.72Å; I71-M130 HydrophobicContact CG2-CE 4.46Å; I71-M130 HydrophobicContact CG2-SD 3.82Å; V88-M130 HydrophobicContact CG1-CE 4.06Å; V88-M130 HydrophobicContact CG1-CG 4.11Å; V88-M130 HydrophobicContact CG1-SD 4.16Å; V88-M130 HydrophobicContact CG2-CG 4.31Å; V88-M130 WeakPolarHBondContact O-CE 3.49Å; M91-M130 HydrophobicContact CB-CE 3.78Å; M91-M130 HydrophobicContact CG-CB 4.38Å; M91-M130 HydrophobicContact CG-CE 3.99Å; M91-M130 HydrophobicContact SD-CB 3.45Å; M91-M130 WeakPolarHBondContact SD-CB 3.4Å; K92-M130 HydrophobicContact CB-CE 3.97Å; I95-M130 HydrophobicContact CD1-CE 3.82Å; V126-M130 HydrophobicContact CG1-CG 3.95Å; V126-M130 WeakPolarHBondContact O-CB 3.45Å; V126-M130 WeakPolarHBondContact O-CG 3.44Å; V126-M130 PolarHBondContact O-N 3.31Å; D127-M130 PolarHBondContact O-N 3.02Å; M130-A132 VanDerWaalsContact C-N 3.34Å; M130-A132 PolarHBondContact O-N 3.49Å; M130-L133 PolarHBondContact O-N 3.3Å; M130-E134 WeakPolarHBondContact O-CB 3.21Å; M130-E134 PolarHBondContact O-N 2.8Å
131R95Very high93.4Very high148 Ų14869.4 Ų69.456%0.55833%0.328SS*.Hα-helixtrans-63.6-37.4173.9-70.8176.2-169-78.62.3112.6M91 D127 K128 F129 K135M91-R131 HydrophobicContact CE-CG 4.14Å; M91-R131 HydrophobicContact SD-CG 4.32Å; D127-R131 VanDerWaalsContact O-CG 3.29Å; D127-R131 WeakPolarHBondContact O-CG 3.48Å; D127-R131 PolarHBondContact O-N 2.74Å; K128-R131 PolarHBondContact O-N 3.28Å; F129-R131 VanDerWaalsContact C-N 3.35Å; F129-R131 PolarHBondContact O-N 3.03Å; R131-K135 WeakPolarHBondContact O-CG 3.43Å; R131-K135 PolarHBondContact O-N 2.81Å; R131-K135 VanDerWaalsContact O-N 3.09Å
132A96.3Very high93.7Very high11 Ų1164.8 Ų64.89%0.09131%0.308CS..Hα-helixtrans-65.6-46.1176.700000111.2L115 Y123 K128 F129 M130 K135 T136L115-A132 HydrophobicContact CD1-CB 4.31Å; Y123-A132 HydrophobicContact CD2-CB 4.12Å; Y123-A132 HydrophobicContact CE1-CB 4.24Å; Y123-A132 HydrophobicContact CE2-CB 3.48Å; Y123-A132 VanDerWaalsContact CE2-CB 3.48Å; K128-A132 WeakPolarHBondContact O-CB 3.28Å; K128-A132 PolarHBondContact O-N 3.05Å; F129-A132 WeakPolarHBondContact O-CB 3.32Å; F129-A132 PolarHBondContact O-N 3.46Å; F129-A132 VanDerWaalsContact O-N 3.1Å; M130-A132 VanDerWaalsContact C-N 3.34Å; M130-A132 PolarHBondContact O-N 3.49Å; A132-K135 PolarHBondContact O-N 3.37Å; A132-T136 WeakPolarHBondContact O-CG2 3.31Å; A132-T136 PolarHBondContact O-N 3.28Å; A132-T136 VanDerWaalsContact O-N 3.13Å
133L97.2Very high94.3Very high0 Ų060.1 Ų60.10%029%0.287CS..Hα-helixtrans-59.2-48173.7-78.8-180000111.7I71 I95 L112 L115 F129 M130 K135 T136 V137I71-L133 HydrophobicContact CD1-CD1 4.08Å; I71-L133 HydrophobicContact CG1-CD1 4.02Å; I95-L133 HydrophobicContact CD1-CB 3.83Å; L112-L133 HydrophobicContact CD1-CD2 3.68Å; L115-L133 HydrophobicContact CB-CD2 4.13Å; L115-L133 HydrophobicContact CD1-CD2 3.88Å; L115-L133 HydrophobicContact CD1-CG 4.41Å; F129-L133 HydrophobicContact CD1-CD1 3.91Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.21Å; F129-L133 HydrophobicContact CE1-CG 3.89Å; F129-L133 HydrophobicContact CE2-CG 4.39Å; F129-L133 HydrophobicContact CZ-CD1 3.56Å; F129-L133 HydrophobicContact CZ-CD2 4.28Å; F129-L133 HydrophobicContact CZ-CG 3.88Å; F129-L133 PolarHBondContact O-N 3.42Å; M130-L133 PolarHBondContact O-N 3.3Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.26Å; L133-T136 WeakPolarHBondContact CA-OG1 3.49Å; L133-T136 PolarHBondContact O-N 3.01Å; L133-T136 PolarHBondContact O-OG1 3.42Å; L133-V137 PolarHBondContact O-N 2.78Å; L133-V137 VanDerWaalsContact O-N 3.14Å
134E96.9Very high94.4Very high47 Ų4758.8 Ų58.822%0.2228%0.284CS..Hα-helixtrans-55.6-44.9179-173.6171.6-13400111.5M91 R94 I95 M130 T136 V137 H138M91-E134 HydrophobicContact CG-CB 4.24Å; M91-E134 HydrophobicContact SD-CB 4.25Å; R94-E134 IonicContact CZ-OE1 3.24Å; R94-E134 VanDerWaalsContact CZ-OE1 3.23Å; R94-E134 IonicContact NE-OE1 2.77Å; R94-E134 PolarHBondContact NE-OE1 3.24Å; R94-E134 IonicContact NH2-OE1 2.8Å; R94-E134 PolarHBondContact NH2-OE1 2.89Å; R94-E134 IonicContact NH2-OE2 3.23Å; I95-E134 HydrophobicContact CD1-CB 4.27Å; I95-E134 HydrophobicContact CG1-CB 4.16Å; M130-E134 WeakPolarHBondContact O-CB 3.21Å; M130-E134 PolarHBondContact O-N 2.8Å; E134-T136 VanDerWaalsContact C-N 3.33Å; E134-T136 PolarHBondContact O-N 3.28Å; E134-V137 WeakPolarHBondContact O-CG2 3.49Å; E134-V137 PolarHBondContact O-N 2.81Å; E134-H138 WeakPolarHBondContact O-CB 3.18Å; E134-H138 PolarHBondContact O-N 3.22Å
135K96.4Very high94.8Very high154 Ų15451.9 Ų51.967%0.6726%0.258SS*.Hα-helixtrans-60.7-40174.9-74.6-179.7178.4-173.20112.9R131 A132 L133 V137R131-K135 WeakPolarHBondContact O-CG 3.43Å; R131-K135 PolarHBondContact O-N 2.81Å; R131-K135 VanDerWaalsContact O-N 3.09Å; A132-K135 PolarHBondContact O-N 3.37Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.26Å; K135-V137 VanDerWaalsContact C-N 3.29Å; K135-V137 PolarHBondContact O-N 3.06Å
136T97.1Very high95Very high11 Ų1151.9 Ų51.97%0.06726%0.261CS..Hα-helixtrans-66.5-30.418058.40000113T108 R111 L115 A132 L133 E134T108-T136 WeakPolarHBondContact CB-O 3.45Å; T108-T136 PolarHBondContact OG1-O 3.37Å; R111-T136 HydrophobicContact CB-CG2 4.27Å; R111-T136 HydrophobicContact CG-CG2 3.64Å; L115-T136 HydrophobicContact CD1-CG2 3.83Å; A132-T136 WeakPolarHBondContact O-CG2 3.31Å; A132-T136 PolarHBondContact O-N 3.28Å; A132-T136 VanDerWaalsContact O-N 3.13Å; L133-T136 WeakPolarHBondContact CA-OG1 3.49Å; L133-T136 PolarHBondContact O-N 3.01Å; L133-T136 PolarHBondContact O-OG1 3.42Å; E134-T136 VanDerWaalsContact C-N 3.33Å; E134-T136 PolarHBondContact O-N 3.28Å
137V97.2Very high95Very high2 Ų252.2 Ų52.21%0.01227%0.268CS..Hα-helixtrans-98.2-8.1-178.3-550000113.6I95 R98 L99 F102 L133 E134 K135 V139I95-V137 HydrophobicContact CB-CG2 4.33Å; I95-V137 HydrophobicContact CG1-CG2 4.12Å; I95-V137 HydrophobicContact CG2-CG1 4.4Å; I95-V137 HydrophobicContact CG2-CG2 4.18Å; R98-V137 HydrophobicContact CB-CB 4.34Å; R98-V137 HydrophobicContact CB-CG2 4.13Å; L99-V137 HydrophobicContact CD1-CG1 4.33Å; L99-V137 HydrophobicContact CD2-CB 4.48Å; L99-V137 HydrophobicContact CD2-CG1 3.67Å; L99-V137 HydrophobicContact CG-CB 4.49Å; L99-V137 HydrophobicContact CG-CG1 3.85Å; F102-V137 WeakPolarHBondContact CZ-O 3.46Å; L133-V137 PolarHBondContact O-N 2.78Å; L133-V137 VanDerWaalsContact O-N 3.14Å; E134-V137 WeakPolarHBondContact O-CG2 3.49Å; E134-V137 PolarHBondContact O-N 2.81Å; K135-V137 VanDerWaalsContact C-N 3.29Å; K135-V137 PolarHBondContact O-N 3.06Å; V137-V139 PolarHBondContact O-N 2.9Å
138H96.4Very high95Very high118 Ų11855.9 Ų55.955%0.54628%0.277SS..SBendtrans-80.89.9175.5-158.580.6000113.4E134E134-H138 WeakPolarHBondContact O-CB 3.18Å; E134-H138 PolarHBondContact O-N 3.22Å
139V95.8Very high94.9Very high21 Ų2154.9 Ų54.913%0.12727%0.27CS..  trans-71.8156176.7-62.60000111.4F102 P106 F107 T108 V137F102-V139 HydrophobicContact CE1-CG2 4.23Å; F102-V139 HydrophobicContact CZ-CG2 3.79Å; F102-V139 WeakPolarHBondContact CZ-O 3.42Å; P106-V139 HydrophobicContact CB-CG2 3.57Å; F107-V139 HydrophobicContact CD1-CB 3.81Å; F107-V139 HydrophobicContact CD1-CG1 4Å; F107-V139 HydrophobicContact CD1-CG2 4.12Å; F107-V139 HydrophobicContact CE1-CB 3.48Å; F107-V139 VanDerWaalsContact CE1-CB 3.48Å; F107-V139 HydrophobicContact CE1-CG1 3.35Å; F107-V139 HydrophobicContact CE1-CG2 4.27Å; F107-V139 HydrophobicContact CZ-CB 4.36Å; F107-V139 HydrophobicContact CZ-CG1 3.73Å; T108-V139 HydrophobicContact CG2-CG1 3.56Å; V137-V139 PolarHBondContact O-N 2.9Å
140V92.1Very high94Very high140 Ų14058.7 Ų58.785%0.84829%0.288SS*.  trans-107.7-17.1179.1-650000113.2
141S93.2Very high92.8Very high31 Ų3162.3 Ų62.322%0.21731%0.31CS..  trans-103.6150.9-179.451.70000112.9F107F107-S141 WeakPolarHBondContact CD1-O 3.36Å; F107-S141 WeakPolarHBondContact CD1-OG 3.42Å; F107-S141 WeakPolarHBondContact CE1-OG 3.36Å; F107-S141 PolarHBondContact N-O 3.45Å
142T95.9Very high91.1Very high14 Ų1459.6 Ų59.69%0.08630%0.304CS..EExtended strand (participates in β ladder)trans-119.6166.7-175.841.10000110.7F102 A104 A105 E150F102-T142 HydrophobicContact CD1-CG2 3.92Å; F102-T142 HydrophobicContact CE1-CG2 4.4Å; A104-T142 HydrophobicContact CB-CG2 4.04Å; A104-T142 WeakPolarHBondContact O-CG2 3.47Å; A105-T142 CarbonylContact O-C 3.48Å; A105-T142 WeakPolarHBondContact O-CA 3.48Å; A105-T142 WeakPolarHBondContact O-CB 2.71Å; T142-E150 PolarHBondContact O-N 3.23Å; T142-E150 PolarHBondContact OG1-OE1 3.24Å; T142-E150 PolarHBondContact OG1-OE2 2.77Å; T142-E150 VanDerWaalsContact OG1-OE2 3.11Å
143V95.5Very high89.3Confident8 Ų865 Ų655%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-128.4151.7175.8-67.50000110.2P52 A105 F107 I109 R148 R149P52-V143 HydrophobicContact CG-CG2 4.08Å; A105-V143 HydrophobicContact CB-CG2 4.14Å; A105-V143 PolarHBondContact O-N 3.29Å; F107-V143 HydrophobicContact CB-CG1 3.86Å; I109-V143 HydrophobicContact CG2-CG2 4.32Å; V143-R148 WeakPolarHBondContact CA-O 3.03Å; V143-R149 HydrophobicContact CG1-CG 3.93Å
144D94.6Very high87.5Confident37 Ų3770.7 Ų70.720%0.19835%0.352CS..  trans-74.5-179.8167.854.332.2000112.7P52 D146 G147 R148 R153P52-D144 WeakPolarHBondContact CD-O 3.48Å; D144-D146 PolarHBondContact O-N 3.44Å; D144-D146 VanDerWaalsContact O-N 3.15Å; D144-D146 WeakPolarHBondContact OD1-CA 3.27Å; D144-D146 PolarHBondContact OD1-N 2.91Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D144-G147 PolarHBondContact O-N 3Å; D144-G147 PolarHBondContact OD1-N 3.26Å; D144-G147 VanDerWaalsContact OD1-N 3.1Å; D144-R148 PolarHBondContact N-O 3.45Å; D144-R148 WeakPolarHBondContact OD1-CB 3.48Å; D144-R148 PolarHBondContact OD1-N 2.99Å; D144-R148 WeakPolarHBondContact OD2-CB 3.45Å; D144-R153 VanDerWaalsContact CB-NH2 3.29Å; D144-R153 IonicContact OD2-CZ 3.44Å; D144-R153 IonicContact OD2-NE 3.77Å; D144-R153 PolarHBondContact OD2-NE 2.83Å; D144-R153 IonicContact OD2-NH2 2.82Å; D144-R153 PolarHBondContact OD2-NH2 2.95Å
145V94.8Very high85.5Confident46 Ų4675.7 Ų75.728%0.27937%0.37SS..THydrogen-bonded Turntrans-55.9-27.2176.9-58.60000113A53 D55 G147A53-V145 VanDerWaalsContact CA-O 3.32Å; A53-V145 WeakPolarHBondContact CA-O 3.49Å; A53-V145 PolarHBondContact N-O 3.5Å; D55-V145 WeakPolarHBondContact OD1-CG1 3.36Å; V145-G147 VanDerWaalsContact C-N 3.35Å
146D94Very high83.5Confident101 Ų10174 Ų7454%0.5437%0.372SS..THydrogen-bonded Turntrans-88.1-3178.5-69.9-49.7000113.4K51 D144 R148K51-D146 WeakPolarHBondContact CD-O 3.48Å; K51-D146 WeakPolarHBondContact CE-O 3.47Å; K51-D146 WeakPolarHBondContact CG-O 3.3Å; D144-D146 PolarHBondContact O-N 3.44Å; D144-D146 VanDerWaalsContact O-N 3.15Å; D144-D146 WeakPolarHBondContact OD1-CA 3.27Å; D144-D146 PolarHBondContact OD1-N 2.91Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D146-R148 HydrophobicContact CB-CG 4.43Å
147G91.4Very high81.5Confident25 Ų2582.1 Ų82.126%0.25841%0.409SS..  trans81.313.2-178.900000114.1D144 V145D144-G147 PolarHBondContact O-N 3Å; D144-G147 PolarHBondContact OD1-N 3.26Å; D144-G147 VanDerWaalsContact OD1-N 3.1Å; V145-G147 VanDerWaalsContact C-N 3.35Å
148R92.2Very high79.2Confident151 Ų15188 Ų8857%0.5744%0.44SS*.  trans-82.1133.7176.1-57.7-63.5-173.9166.50.4110V143 D144 D146V143-R148 WeakPolarHBondContact CA-O 3.03Å; D144-R148 PolarHBondContact N-O 3.45Å; D144-R148 WeakPolarHBondContact OD1-CB 3.48Å; D144-R148 PolarHBondContact OD1-N 2.99Å; D144-R148 WeakPolarHBondContact OD2-CB 3.45Å; D146-R148 HydrophobicContact CB-CG 4.43Å
149R89Confident76.9Confident87 Ų8789.6 Ų89.633%0.32845%0.453SS..BIsolated β-bridgetrans-71.7141.2178.5-62.6172179.1-89.8-2.6109.2F107 V143 T151 E152F107-R149 VanDerWaalsContact CB-NH1 3.29Å; F107-R149 VanDerWaalsContact CD2-CZ 3.45Å; V143-R149 HydrophobicContact CG1-CG 3.93Å; R149-T151 PolarHBondContact O-N 3.4Å; R149-E152 HydrophobicContact CB-CB 4.48Å; R149-E152 HydrophobicContact CB-CG 4.1Å; R149-E152 WeakPolarHBondContact O-CB 3.47Å; R149-E152 PolarHBondContact O-N 3.43Å
150E76.6Confident74.3Confident80 Ų8092.9 Ų92.937%0.37449%0.49SS..Hα-helixtrans-57.2-38.6175.8-72.5170.9-167.400112T142 E152 R153 D154T142-E150 PolarHBondContact O-N 3.23Å; T142-E150 PolarHBondContact OG1-OE1 3.24Å; T142-E150 PolarHBondContact OG1-OE2 2.77Å; T142-E150 VanDerWaalsContact OG1-OE2 3.11Å; E150-E152 PolarHBondContact O-N 3.02Å; E150-E152 VanDerWaalsContact O-N 3.16Å; E150-R153 PolarHBondContact O-N 3.11Å; E150-D154 PolarHBondContact O-N 3.21Å
151T70.1Confident72Confident76 Ų7690.5 Ų90.547%0.46648%0.48SS..Hα-helixtrans-61.2-23.6174.2-41.60000113.1R149 Y155R149-T151 PolarHBondContact O-N 3.4Å; T151-Y155 HydrophobicContact CG2-CD2 3.75Å; T151-Y155 HydrophobicContact CG2-CE2 3.44Å; T151-Y155 VanDerWaalsContact CG2-CE2 3.44Å; T151-Y155 WeakPolarHBondContact O-CD2 3.34Å
152E60.8Low69.8Low92 Ų9295.1 Ų95.143%0.4350%0.502SS..Hα-helixtrans-77.4-24.2176.4-72.7173.3-167.500112.3R149 E150 V156R149-E152 HydrophobicContact CB-CB 4.48Å; R149-E152 HydrophobicContact CB-CG 4.1Å; R149-E152 WeakPolarHBondContact O-CB 3.47Å; R149-E152 PolarHBondContact O-N 3.43Å; E150-E152 PolarHBondContact O-N 3.02Å; E150-E152 VanDerWaalsContact O-N 3.16Å; E152-V156 WeakPolarHBondContact O-CG2 2.99Å
153R58.9Low67.5Low125 Ų125103.2 Ų103.247%0.47254%0.539SS..Hα-helixtrans-76.2-38.5177.4-70.9-165.6-124.897.45.1112.1D144 E150 Y155D144-R153 VanDerWaalsContact CB-NH2 3.29Å; D144-R153 IonicContact OD2-CZ 3.44Å; D144-R153 IonicContact OD2-NE 3.77Å; D144-R153 PolarHBondContact OD2-NE 2.83Å; D144-R153 IonicContact OD2-NH2 2.82Å; D144-R153 PolarHBondContact OD2-NH2 2.95Å; E150-R153 PolarHBondContact O-N 3.11Å; R153-Y155 VanDerWaalsContact C-N 3.31Å; R153-Y155 PolarHBondContact O-N 3.43Å
154D58.9Low65.5Low119 Ų119111.1 Ų111.164%0.63657%0.568SS**Hα-helixtrans-81-10-174.8-61.9-17.2000113.6E150E150-D154 PolarHBondContact O-N 3.21Å
155Y54.6Low63.6Low151 Ų151114.3 Ų114.359%0.59258%0.584SS**THydrogen-bonded Turntrans-104.2-3.5-177.2-79.6-103.3000114.8T151 R153 E157 L158T151-Y155 HydrophobicContact CG2-CD2 3.75Å; T151-Y155 HydrophobicContact CG2-CE2 3.44Å; T151-Y155 VanDerWaalsContact CG2-CE2 3.44Å; T151-Y155 WeakPolarHBondContact O-CD2 3.34Å; R153-Y155 VanDerWaalsContact C-N 3.31Å; R153-Y155 PolarHBondContact O-N 3.43Å; Y155-E157 PolarHBondContact O-N 2.92Å; Y155-E157 VanDerWaalsContact O-N 3.16Å; Y155-L158 PolarHBondContact O-N 3.43Å; Y155-L158 VanDerWaalsContact O-N 3.1Å
156V53.4Low61.6Low119 Ų119117.8 Ų117.872%0.72161%0.606SS**THydrogen-bonded Turntrans-64.4-18.1173.4-176.70000111.4E152E152-V156 WeakPolarHBondContact O-CG2 2.99Å
157E55.4Low59.6Low181 Ų181119.9 Ų119.985%0.84662%0.617SS**THydrogen-bonded Turntrans-91.2-1.6175.9-68.4-176.1163.800114.7Y155Y155-E157 PolarHBondContact O-N 2.92Å; Y155-E157 VanDerWaalsContact O-N 3.16Å
158L50.1Low57.9Low126 Ų126123.2 Ų123.266%0.6663%0.628SS**SBendtrans-12346.3-171.8-67.6171000113.1Y155Y155-L158 PolarHBondContact O-N 3.43Å; Y155-L158 VanDerWaalsContact O-N 3.1Å
159N48.2Very low56Low152 Ų152121.1 Ų121.181%0.81364%0.637SS**SBendtrans-156.458.7154.3-160.461.3000112.7S161N159-S161 PolarHBondContact O-N 3.26Å
160G40.1Very low53.8Low89 Ų89126.1 Ų126.192%0.91866%0.664SS**SBendtrans51.428.1145.500000120.7
161S44.1Very low52.4Low90 Ų90130.5 Ų130.563%0.62969%0.685SS**  trans-163.379176.2-153.40000114.2N159N159-S161 PolarHBondContact O-N 3.26Å
162L47.8Very low51.1Low129 Ų129133.7 Ų133.768%0.67570%0.698SS**SBendtrans-142.3-25.7155.5-162.957.4000113.7W164L162-W164 VanDerWaalsContact C-N 3.32Å; L162-W164 PolarHBondContact O-N 3.46Å
163E47.9Very low50.7Low184 Ų184138.6 Ų138.686%0.8672%0.721SS**THydrogen-bonded Turntrans-74.1-14.2179.7-66.1-160.5138.800115.3
164W51.7Low50.3Low173 Ų173141.2 Ų141.266%0.65574%0.739SS**THydrogen-bonded Turntrans-81.7-21.5177.3157.1-94.3000114.2L162 L168L162-W164 VanDerWaalsContact C-N 3.32Å; L162-W164 PolarHBondContact O-N 3.46Å; W164-L168 HydrophobicContact CD2-CD1 3.61Å; W164-L168 HydrophobicContact CE3-CD1 3.79Å; W164-L168 HydrophobicContact CG-CD1 4.46Å; W164-L168 HydrophobicContact CH2-CD1 3.35Å; W164-L168 HydrophobicContact CH2-CD2 4.34Å; W164-L168 HydrophobicContact CH2-CG 4.36Å; W164-L168 HydrophobicContact CZ2-CD1 3.1Å; W164-L168 HydrophobicContact CZ2-CG 4.45Å; W164-L168 HydrophobicContact CZ3-CD1 3.67Å; W164-L168 HydrophobicContact CZ3-CD2 4.42Å; W164-L168 HydrophobicContact CZ3-CG 4.38Å
165L54.8Low49.9Very low105 Ų105140.6 Ų140.655%0.5575%0.751SS.*THydrogen-bonded Turntrans-85-16.3-176.9-75.2174000113.6
166T53.4Low49.6Very low119 Ų119140 Ų14073%0.7376%0.758SS**SBendtrans-83.7-22.1-178.9-46.20000112.5
167D52.1Low49.8Very low145 Ų145143.5 Ų143.578%0.77577%0.766SS**THydrogen-bonded Turntrans-96.97.6-176.7-155.226.1000114.3
168L55.2Low49.5Very low94 Ų94140.9 Ų140.949%0.49276%0.758SS.*THydrogen-bonded Turntrans-121.515.8-178-66.4170.9000114.5W164W164-L168 HydrophobicContact CD2-CD1 3.61Å; W164-L168 HydrophobicContact CE3-CD1 3.79Å; W164-L168 HydrophobicContact CG-CD1 4.46Å; W164-L168 HydrophobicContact CH2-CD1 3.35Å; W164-L168 HydrophobicContact CH2-CD2 4.34Å; W164-L168 HydrophobicContact CH2-CG 4.36Å; W164-L168 HydrophobicContact CZ2-CD1 3.1Å; W164-L168 HydrophobicContact CZ2-CG 4.45Å; W164-L168 HydrophobicContact CZ3-CD1 3.67Å; W164-L168 HydrophobicContact CZ3-CD2 4.42Å; W164-L168 HydrophobicContact CZ3-CG 4.38Å
169S53.2Low49.5Very low107 Ų107141.1 Ų141.175%0.74876%0.76SS**SBendtrans-122.218.6-178.2-55.50000113.7
170Q43.3Very low50.1Low193 Ų193140.2 Ų140.290%0.90276%0.76SS**  trans-125.165.5173.8-160.1170-14.700110.5
171E46.2Very low50.7Low172 Ų172142.5 Ų142.580%0.80475%0.751SS**  trans-91.6123.4158.7-68.2-178.1165.600108.1
172D43.2Very low51.2Low142 Ų142144.6 Ų144.676%0.75976%0.755SS**  trans61.193.9146.8-50.9-27.8000119.7
173E52.2Low51.3Low195 Ų195143.9 Ų143.991%0.91176%0.761SS**  trans-119.1103149.3-83-77.915200108
174E49.6Very low51.3Low181 Ų181140.9 Ų140.985%0.84676%0.758SS**  trans-70.9121.8176.2-67-164.6158.600111.2N176E174-N176 PolarHBondContact O-N 3.03Å
175A52.2Low51.3Low106 Ų106139.3 Ų139.388%0.87677%0.767SS**  trans-83.999.9163.500000109.4
176N47.9Very low51.3Low138 Ų138139.1 Ų139.174%0.73878%0.775SS**  trans-82.5105.4169.2174.928.4000110.1E174E174-N176 PolarHBondContact O-N 3.03Å
177E56.7Low51Low193 Ų193141 Ų14190%0.90278%0.78SS**  trans-138.591.9157.3-71.8-165.6175.100110.5
178N49.4Very low51.1Low126 Ų126142.7 Ų142.767%0.67479%0.787SS**  trans29.2136.6137.4-122.839.5000121.8
179D50.8Low50.8Low130 Ų130146.7 Ų146.770%0.69580%0.803SS**  trans100.2120.4146.5-64.5-46.5000119.7
180T59.7Low50.2Low134 Ų134144.1 Ų144.182%0.82279%0.794SS**  trans85.194.1153.342.70000120.6
181D53.8Low50.3Low137 Ų137143.4 Ų143.473%0.73379%0.792SS**  105.2127.4108-148.118.2000119.6
182D54.3Low50.2Low134 Ų134143.9 Ų143.972%0.71779%0.792SS**  trans60.4100.6158.3-79.9-27.9000123
183S50.4Low50.2Low114 Ų114141.9 Ų141.980%0.79779%0.789SS**  142.6120.7113.1-70.90000113.9
184P47Very low49.8Very low121 Ų121141.5 Ų141.579%0.78679%0.788SS**  trans-105.5150.9-177.237.8-29.8000113.2
185T51.3Low49.6Very low140 Ų140144 Ų14486%0.85979%0.789SS**  trans-157.9127.2145.645.20000113.6
186S55Low49.2Very low101 Ų101148.6 Ų148.671%0.70679%0.789SS**  trans67.394.6147.962.90000122.5
187D46.6Very low49.2Very low157 Ų157149.1 Ų149.184%0.8479%0.792SS**  25.4116.8113.4-57.3-48.7000120
188I54.7Low48.6Very low181 Ų181144.9 Ų144.993%0.92878%0.784SS**  trans-138.7130.2133.2-64.5-169.9000110
189H48.9Very low49Very low179 Ų179146.6 Ų146.683%0.82979%0.792SS**  trans-95.7143.1-169.6163.7-75.8000112.5
190G41.7Very low48.6Very low53 Ų53145.7 Ų145.755%0.54679%0.791SS.*  trans119.1114.5142.200000116.9
191M44.9Very low48.3Very low177 Ų177146.9 Ų146.987%0.87279%0.791SS**  159.7105.397.1-78.8-160.67400112
192F43.7Very low47.6Very low182 Ų182145.7 Ų145.780%0.79879%0.789SS**  trans39.6118.8134.8-75.7-85000123.4
193S43.4Very low47.9Very low100 Ų100146.8 Ų146.870%0.69979%0.793SS**  68.2110.7121.5-77.30000122.6
194E42.9Very low47.8Very low188 Ų188145.7 Ų145.788%0.87979%0.786SS**  38.4113.1128.7-62.2-173.8163.400119.7
195R46.7Very low48.3Very low232 Ų232145.8 Ų145.888%0.87579%0.786SS**  trans-146.2115.2145.4-116.5-171.9-73173.5-1.8111.2
196K44.1Very low48.2Very low203 Ų203145.4 Ų145.488%0.88378%0.784SS**  trans-63.5129.9159.4-67.2167.1176.6164.40107.8
197N47.3Very low48Very low149 Ų149147.1 Ų147.180%0.79779%0.79SS**  trans-147.9129.5160.9-102.85.7000111.6
198S43.8Very low48.2Very low104 Ų104145.2 Ų145.273%0.72779%0.787SS**  trans-60134.9172.8172.50000111.6
199I57.5Low47.6Very low163 Ų163143.2 Ų143.284%0.83678%0.783SS**  trans-92.4101.1166.953166.1000109.2
200T43.8Very low47.6Very low111 Ų111140.2 Ų140.268%0.68178%0.782SS**  trans-102.8114.2162.6-66.10000106.8T202T200-T202 PolarHBondContact O-N 3.43Å
201L52.5Low47.6Very low159 Ų159142.7 Ų142.783%0.83280%0.798SS**  trans-83.997.6174-73169.4000109
202T39.5Very low48.1Very low112 Ų112140.8 Ų140.869%0.68780%0.796SS**  trans-85.7106165.4-53.30000108.3T200T200-T202 PolarHBondContact O-N 3.43Å
203I60.9Low48.8Very low157 Ų157137.5 Ų137.581%0.80580%0.795SS**  trans-90.2103.3167.7-57.6173000106.8
204S47.5Very low50.2Low91 Ų91138.8 Ų138.864%0.63680%0.801SS**PPolyproline II helixtrans-77.8128.4169.4-64.40000109.5T206S204-T206 PolarHBondContact O-N 3.3Å
205P58.4Low51.7Low123 Ų123138.2 Ų138.280%0.79980%0.801SS**PPolyproline II helixtrans-83116.2171.631.3-28.3000109.6
206T49.5Very low53.1Low131 Ų131130.8 Ų130.880%0.80478%0.783SS**PPolyproline II helixtrans-80.3119.316346.20000109.2S204 P208S204-T206 PolarHBondContact O-N 3.3Å; T206-P208 WeakPolarHBondContact O-CD 3.38Å
207T50.1Low54.8Low137 Ų137124.9 Ų124.984%0.8477%0.767SS**PPolyproline II helixtrans-65.5134.616944.60000112
208P51.1Low56.1Low118 Ų118123.6 Ų123.677%0.76676%0.759SS**  trans-116.9121.6141.331.5-21.9000110.6T206 S210T206-P208 WeakPolarHBondContact O-CD 3.38Å; P208-S210 PolarHBondContact O-N 2.83Å
209T42.4Very low57.6Low138 Ų138124.5 Ų124.585%0.84775%0.752SS**  trans-46.6121.5160.929.40000112.9
210S47.3Very low58.4Low117 Ų117118.4 Ų118.482%0.81873%0.726SS**  trans-169.6139.2139.5-840000109.7P208 T212P208-S210 PolarHBondContact O-N 2.83Å; S210-T212 PolarHBondContact O-N 3.28Å
211A43.3Very low59.8Low105 Ų105117.8 Ų117.887%0.86872%0.718SS**  trans-71.6113.6-167.100000112.8
212T54Low60.5Low136 Ų136119.1 Ų119.183%0.83471%0.712SS**  trans-150.7128.2161.2-5.20000108.5S210S210-T212 PolarHBondContact O-N 3.28Å
213S58.7Low61.9Low113 Ų113120 Ų12079%0.7971%0.708SS**PPolyproline II helixtrans-53.2138.6-175.9-39.20000112.1M215S213-M215 PolarHBondContact O-N 3.37Å
214P73Confident62.1Low127 Ų127115.6 Ų115.683%0.82569%0.692SS**PPolyproline II helixtrans-67.4128.5176.827.2-30.8000109.8
215M75Confident62.7Low176 Ų176116.4 Ų116.487%0.86769%0.693SS**PPolyproline II helixtrans-58.8134.6173.4-164.7168.576.400109.4S213S213-M215 PolarHBondContact O-N 3.37Å
216P75.8Confident62.7Low77 Ų77117.7 Ų117.750%0.569%0.692SS.*PPolyproline II helixtrans-63.2143-178.924.9-32.7000111.1A220P216-A220 HydrophobicContact CB-CB 3.99Å
217S79.5Confident63Low79 Ų79116.8 Ų116.855%0.55269%0.687SS**PPolyproline II helixtrans-54.6151172.3177.50000111.1E219 A220 L221S217-E219 PolarHBondContact O-N 3.04Å; S217-E219 VanDerWaalsContact O-N 3.11Å; S217-E219 PolarHBondContact OG-N 2.95Å; S217-A220 WeakPolarHBondContact O-CA 3.33Å; S217-A220 WeakPolarHBondContact O-CB 3.47Å; S217-A220 PolarHBondContact O-N 2.89Å; S217-L221 PolarHBondContact O-N 3.1Å
218I74.3Confident62.7Low122 Ų122115.1 Ų115.163%0.62668%0.68SS**Hα-helixtrans-52.6-36175.5-143164000110.5A220 L221 W222I218-A220 VanDerWaalsContact C-N 3.32Å; I218-A220 PolarHBondContact O-N 3.33Å; I218-L221 WeakPolarHBondContact O-CB 3.12Å; I218-L221 PolarHBondContact O-N 3.16Å; I218-W222 PolarHBondContact O-N 3.25Å; I218-W222 VanDerWaalsContact O-N 3.12Å
219E75.6Confident62.5Low122 Ų122114.6 Ų114.657%0.5769%0.686SS**Hα-helixtrans-62.2-37.4176.3-13965.9-150.800112.9S217 W222 Q223S217-E219 PolarHBondContact O-N 3.04Å; S217-E219 VanDerWaalsContact O-N 3.11Å; S217-E219 PolarHBondContact OG-N 2.95Å; E219-W222 PolarHBondContact O-N 2.74Å; E219-Q223 WeakPolarHBondContact O-CG 3.47Å; E219-Q223 PolarHBondContact O-N 3.35Å
220A74.7Confident62.4Low36 Ų36116.8 Ų116.830%0.29869%0.687SS.*Hα-helixtrans-73.9-30.9179.100000112.1P216 S217 I218 S224P216-A220 HydrophobicContact CB-CB 3.99Å; S217-A220 WeakPolarHBondContact O-CA 3.33Å; S217-A220 WeakPolarHBondContact O-CB 3.47Å; S217-A220 PolarHBondContact O-N 2.89Å; I218-A220 VanDerWaalsContact C-N 3.32Å; I218-A220 PolarHBondContact O-N 3.33Å; A220-S224 VanDerWaalsContact O-CB 3.25Å; A220-S224 WeakPolarHBondContact O-CB 3.5Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 PolarHBondContact O-OG 3.39Å
221L73.1Confident62.3Low97 Ų97117.6 Ų117.651%0.50869%0.686SS.*Hα-helixtrans-65-40.6170.4-90156.4000111.6S217 I218 T225S217-L221 PolarHBondContact O-N 3.1Å; I218-L221 WeakPolarHBondContact O-CB 3.12Å; I218-L221 PolarHBondContact O-N 3.16Å; L221-T225 PolarHBondContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.42Å
222W67.7Low61.9Low188 Ų188118.1 Ų118.171%0.71268%0.684SS**Hα-helixtrans-68.3-40.8177.5-79.263.6000112.2I218 E219I218-W222 PolarHBondContact O-N 3.25Å; I218-W222 VanDerWaalsContact O-N 3.12Å; E219-W222 PolarHBondContact O-N 2.74Å
223Q69.2Low61.2Low129 Ų129116.7 Ų116.760%0.60369%0.685SS**Hα-helixtrans-71.8-39.3177.3-69-175.921.400113E219 T225 L226 T227E219-Q223 WeakPolarHBondContact O-CG 3.47Å; E219-Q223 PolarHBondContact O-N 3.35Å; Q223-T225 VanDerWaalsContact C-N 3.28Å; Q223-T225 PolarHBondContact O-N 3.41Å; Q223-L226 WeakPolarHBondContact O-CB 3.33Å; Q223-L226 PolarHBondContact O-N 3.49Å; Q223-T227 PolarHBondContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 3.31Å
224S63.1Low60.2Low66 Ų66117.8 Ų117.846%0.46269%0.688SS.*Hα-helixtrans-67.9-27.3-178.5-58.70000113.1A220 L226 T227 S228A220-S224 VanDerWaalsContact O-CB 3.25Å; A220-S224 WeakPolarHBondContact O-CB 3.5Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 PolarHBondContact O-OG 3.39Å; S224-L226 VanDerWaalsContact C-N 3.26Å; S224-L226 PolarHBondContact O-N 3.16Å; S224-T227 PolarHBondContact O-N 2.64Å; S224-S228 PolarHBondContact O-N 3.46Å
225T61.7Low58.6Low107 Ų107116.6 Ų116.666%0.65668%0.682SS**Hα-helixtrans-72.7-21.1174.8-51.70000111.9L221 Q223L221-T225 PolarHBondContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.42Å; Q223-T225 VanDerWaalsContact C-N 3.28Å; Q223-T225 PolarHBondContact O-N 3.41Å
226L57.8Low57Low150 Ų150114.6 Ų114.679%0.78568%0.675SS**Hα-helixtrans-88.3-14.1178.1-67167.5000113.1Q223 S224Q223-L226 WeakPolarHBondContact O-CB 3.33Å; Q223-L226 PolarHBondContact O-N 3.49Å; S224-L226 VanDerWaalsContact C-N 3.26Å; S224-L226 PolarHBondContact O-N 3.16Å
227T54.7Low55.1Low113 Ų113120 Ų12069%0.69369%0.691SS**Hα-helixtrans-117.9-2.4-173.654.90000115.3Q223 S224Q223-T227 PolarHBondContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 3.31Å; S224-T227 PolarHBondContact O-N 2.64Å
228S44.1Very low53.3Low101 Ų101124.8 Ų124.871%0.70671%0.705SS**  trans-111.378.4179.2-73.30000111.9S224S224-S228 PolarHBondContact O-N 3.46Å
229A47.1Very low51.5Low107 Ų107128 Ų12888%0.88471%0.714SS**  trans-139.655.6161.900000109.4
230E40.1Very low49.8Very low185 Ų185130.3 Ų130.386%0.86473%0.729SS**  trans-14190.7170.1-163.6175.8153.900108.8
231V45.6Very low48.3Very low134 Ų134133.7 Ų133.781%0.81275%0.75SS**  trans-162.5109.2149.1-88.90000109.8
232S35.6Very low46.6Very low116 Ų116138.5 Ų138.581%0.81177%0.77SS**  trans54.496.5134.1-54.80000119.5
233A39.9Very low45.6Very low105 Ų105133.6 Ų133.687%0.86877%0.769SS**  trans-138.7100.8139.300000109.2
234T35.7Very low44.4Very low137 Ų137136.5 Ų136.584%0.8478%0.783SS**  trans-65.1129.6172.347.90000111.3
235S41.1Very low43.1Very low102 Ų102139.5 Ų139.571%0.71380%0.799SS**  trans178.8111.5141.7-170.70000112.2
236N39.8Very low42.4Very low133 Ų133143 Ų14371%0.71181%0.808SS**  trans71105.8141.4-65.2-34.3000123.4
237F37Very low41.5Very low190 Ų190142.3 Ų142.383%0.83381%0.809SS**  43.3120.8127.1-73.7-87.2000120.1
238Q41.1Very low40.6Very low181 Ų181145 Ų14585%0.84682%0.819SS**  -177.3108.391.7-164.6147.3-62.300112.8
239K36.6Very low40.2Very low190 Ų190146.5 Ų146.583%0.82682%0.824SS**  trans23.6117.6135.8-164.3176.5-168.4178.90118.3
240I39Very low40Very low170 Ų170150 Ų15087%0.87282%0.822SS**  -160.6143.9128.1-84.7136.8000108.6
241S45.1Very low40Very low107 Ų107148.3 Ų148.375%0.74882%0.819SS**  trans-82.3153.7-162440000116.5
242E36Very low39.5Very low197 Ų197151.5 Ų151.592%0.92182%0.822SS**  trans-62.2131.8162.6-65.4166.2155.200111.7
243A47.2Very low39.8Very low85 Ų85150.4 Ų150.470%0.70282%0.82SS**  trans-158.3133.115800000110.1
244E43.1Very low39.8Very low191 Ų191151 Ų15189%0.89382%0.818SS**  trans92.489149.5-65.6172.6179.700119.2
245T37.3Very low40.1Very low128 Ų128150.5 Ų150.579%0.78582%0.82SS**  trans-62.4162.2146.544.10000114.2
246E47.4Very low40Very low182 Ų182150.4 Ų150.485%0.8582%0.819SS**  trans85.8121160.3-54.4-163.2154.100118.2
247V38.5Very low40.3Very low135 Ų135149.1 Ų149.182%0.81882%0.82SS**  -176.5109.1115.4173.30000108.3
248L35.1Very low40.7Very low170 Ų170149.1 Ų149.189%0.8983%0.825SS**  trans-147.498.9157.1-84.8-178.8000108.2
249T36.7Very low41Very low132 Ų132145.4 Ų145.481%0.8183%0.826SS**  trans-176.9155145.437.10000110.2
250E42Very low41.4Very low179 Ų179143 Ų14384%0.83682%0.822SS**  trans90.198.7169.9-54.7-163.9156.100116.2
251N41Very low41.9Very low150 Ų150139.4 Ų139.480%0.80281%0.812SS**  trans-153.6135136.6-99.7-24.6000110.5
252F35Very low42.1Very low201 Ų201143 Ų14388%0.88281%0.814SS**  trans86.884.5169.5-64.6-79.3000118.8
253A40.8Very low42.6Very low93 Ų93140 Ų14077%0.76980%0.804SS**  trans-129.4136.414200000110.2
254S39.3Very low42.6Very low118 Ų118142.7 Ų142.783%0.82581%0.807SS**  trans87.891.4154.7-53.80000120.4
255S42.2Very low43.1Very low127 Ų127139.5 Ų139.589%0.88880%0.8SS**  trans-171.2141.6136.9-84.10000106
256S40.6Very low43.5Very low100 Ų100140 Ų14070%0.69980%0.798SS**  cis179.7151.7-4.2155.50000104.4
257S44.9Very low43.6Very low105 Ų105135.1 Ų135.173%0.73478%0.784SS**  trans65.8112.8161.863.10000118.5
258M45.7Very low43.7Very low190 Ų190135.8 Ų135.894%0.93678%0.783SS**  92.813273.7-106.8-172.4169.800114.1
259A47.2Very low43.9Very low103 Ų103135.8 Ų135.885%0.85178%0.783SS**  trans77.1144.5174.500000116.4
260D45.6Very low44.1Very low141 Ų141135.1 Ų135.175%0.75478%0.781SS**  cis-179.2152.8-16.2174.947.4000104.7
261S50Low43.6Very low93 Ų93136.2 Ų136.265%0.6578%0.783SS**  trans64.8108.9165.7-62.60000118.7
262K48.1Very low43.4Very low182 Ų182132.7 Ų132.779%0.79178%0.775SS**  92.2136.173.2-116.5-177.2-178.9156.70114.5
263D47.3Very low43.4Very low134 Ų134127.1 Ų127.172%0.71777%0.766SS**  trans76.1143.5162.5-45.4-28.9000115.6
264D47.6Very low43.3Very low143 Ų143131.1 Ų131.177%0.76577%0.769SS**  cis-177.5164-27.4-130.8-44.9000103.8
265V52.1Low43.1Very low123 Ų123130.7 Ų130.775%0.74576%0.763SS**  trans73.6114.2161.3-121.40000122.5
266D45.4Very low42.6Very low140 Ų140128.1 Ų128.175%0.74976%0.757SS**  85.9122124.9-108.7-24.8000125.5
267S50.3Low42.3Very low78 Ų78132.6 Ų132.655%0.54576%0.763SS.*  trans55.1130.7139.613.70000124.4
268N41Very low41.8Very low149 Ų149134.6 Ų134.680%0.79777%0.766SS**  trans90.997.7138.5-66.7-39.8000119.2
269L39.1Very low41Very low171 Ų171133.8 Ų133.890%0.89576%0.76SS**  trans-22.9135.6145.9-66.9158.7000115.2
270P39.9Very low40.1Very low117 Ų117134.8 Ų134.876%0.7676%0.76SS**  trans-116.6114.2149.732-18.5000110.3A272P270-A272 PolarHBondContact O-N 3.41Å; P270-A272 VanDerWaalsContact O-N 3.14Å
271F33.5Very low39.3Very low202 Ų202137.8 Ų137.889%0.88677%0.766SS**  trans-75.193.7158.4-179.3-98.4000107.4A273F271-A273 HydrophobicContact CE1-CB 4.48Å
272A36.4Very low38.4Very low77 Ų77136.7 Ų136.764%0.63677%0.769SS**  trans-97.2107.7171.300000108.9P270 Q274P270-A272 PolarHBondContact O-N 3.41Å; P270-A272 VanDerWaalsContact O-N 3.14Å; A272-Q274 PolarHBondContact O-N 3.37Å
273A34.8Very low37.4Very low84 Ų84135.6 Ų135.669%0.69477%0.772SS**  trans-68.6110.9165.200000108.8F271F271-A273 HydrophobicContact CE1-CB 4.48Å
274Q37.8Very low36.6Very low176 Ų176137.9 Ų137.982%0.82278%0.776SS**  trans-79.4132.2171.5-71.6-110.9-36.900109.8A272 G276A272-Q274 PolarHBondContact O-N 3.37Å; Q274-G276 PolarHBondContact O-N 2.97Å
275P36.1Very low35.8Very low109 Ų109140.5 Ų140.571%0.70878%0.78SS**  trans-79.7112.3166.831.6-27000108.2K277P275-K277 PolarHBondContact O-N 2.73Å; P275-K277 VanDerWaalsContact O-N 3.1Å
276G32.1Very low35Very low73 Ų73138.8 Ų138.875%0.75377%0.774SS**  trans-65107.2173.200000110.4Q274 N278Q274-G276 PolarHBondContact O-N 2.97Å; G276-N278 PolarHBondContact O-N 3.17Å
277K32.9Very low34.5Very low194 Ų194141.4 Ų141.484%0.84378%0.779SS**  trans-75.1113.3165-67.4176.3178.1177.70108.3P275P275-K277 PolarHBondContact O-N 2.73Å; P275-K277 VanDerWaalsContact O-N 3.1Å
278N35.8Very low33.7Very low148 Ų148143.1 Ų143.179%0.79179%0.785SS**  trans-11985.3162.350.9-10.8000108.9G276 C280G276-N278 PolarHBondContact O-N 3.17Å; N278-C280 PolarHBondContact O-N 3.14Å
279E27.1Very low33.2Very low172 Ų172140.5 Ų140.580%0.80478%0.779SS**  trans-66.9113.4155.2-92175.389.600108
280C29.6Very low33Very low125 Ų125138.1 Ų138.185%0.84577%0.771SS**  trans-132.6107163.9-104.20000109.3N278 G282N278-C280 PolarHBondContact O-N 3.14Å; C280-G282 PolarHBondContact O-N 2.95Å
281K28Very low32.9Very low204 Ų204141 Ų14189%0.88778%0.775SS**  trans-70109.4168.8-67.7172.2177.1174.40108.3
282G31.7Very low32.9Very low70 Ų70140.2 Ų140.272%0.72277%0.771SS**  trans-133.997.5174.100000110.4C280 F284C280-G282 PolarHBondContact O-N 2.95Å; G282-F284 PolarHBondContact O-N 3.13Å
283N26.4Very low33.1Very low158 Ų158145 Ų14585%0.84579%0.785SS**  trans-68.6120170.9-96.611.1000109.6
284F31.7Very low33.1Very low182 Ų182148 Ų14880%0.79879%0.789SS**  trans-126.590.8158.4-158.5-100.1000109.8G282G282-F284 PolarHBondContact O-N 3.13Å
285K30.5Very low33.1Very low198 Ų198142.9 Ų142.986%0.86178%0.784SS**  trans-85.1105.5166.2-81.9179.5172.5178.90107.9
286S35.7Very low33.2Very low87 Ų87146.1 Ų146.161%0.60879%0.79SS**  trans-113.9101.3159.3-156.20000108.7V288S286-V288 PolarHBondContact O-N 3.03Å
287K33.4Very low33.5Very low195 Ų195150.8 Ų150.885%0.84880%0.797SS**  trans-85.696.7176.2-151.5-178.2-171.3-172.10106.3S289K287-S289 PolarHBondContact O-N 3.22Å
288V34Very low33.8Very low114 Ų114150 Ų15069%0.69180%0.797SS**  trans-78.3100.8168.2172.10000107.1S286S286-V288 PolarHBondContact O-N 3.03Å
289S30.7Very low34Very low94 Ų94148.2 Ų148.266%0.65780%0.795SS**  trans-71.7121165.4-65.10000108.5K287 E291K287-S289 PolarHBondContact O-N 3.22Å; S289-E291 PolarHBondContact O-N 3.23Å
290V35.7Very low34.3Very low122 Ų122145.1 Ų145.174%0.73979%0.789SS**  trans-7997.3167.4175.60000107.1
291E37.5Very low34.9Very low177 Ų177145.9 Ų145.983%0.82779%0.789SS**  trans-80.6127.3164.3-77.1-162.8143.800110S289 L293S289-E291 PolarHBondContact O-N 3.23Å; E291-L293 PolarHBondContact O-N 3.33Å
292K34Very low35.4Very low185 Ų185144.3 Ų144.380%0.80479%0.789SS**  trans-71105.8178.3-177.8177.3-179.1-178.70109.2
293L38.9Very low35.8Very low177 Ų177144.7 Ų144.793%0.92779%0.793SS**  trans-95.294.5163.7-75.1171.3000108.1E291E291-L293 PolarHBondContact O-N 3.33Å
294D35.3Very low36.5Very low147 Ų147142.4 Ų142.479%0.78679%0.789SS**  trans-116.5108.8163.1-151.18.9000106.6
295G39.2Very low37.1Very low69 Ų69140.6 Ų140.671%0.71179%0.788SS**  trans-110.7108.7-173.300000110.3
296Q37.8Very low37.7Very low178 Ų178138.8 Ų138.883%0.83278%0.783SS**  trans-11.1133.5162.9-66.9165.1-64.100117.4
297N38.7Very low38Very low171 Ų171142.6 Ų142.691%0.91479%0.791SS**  trans-138.9120.9134.8-83.1-33.2000109.6
298E37.4Very low38.6Very low178 Ų178139.5 Ų139.583%0.83279%0.788SS**  trans-60.2146.2176.2-75173.88700113.2
299S40.8Very low39.2Very low109 Ų109139.2 Ų139.276%0.76279%0.788SS**  176.6107.2104-170.90000111.4
300T33.8Very low39.7Very low108 Ų108139.8 Ų139.866%0.66379%0.793SS**  trans20.6121.3131.7-36.20000118.5
301V41.2Very low40Very low140 Ų140138.9 Ų138.985%0.84879%0.792SS**  -177.4136.2108.1153.50000110.5
302L39.1Very low40.4Very low171 Ų171135.7 Ų135.790%0.89579%0.789SS**  trans-69.2150.7-176.6-62.5152.1000113.2
303G39.4Very low40.9Very low78 Ų78135.8 Ų135.880%0.80479%0.792SS**  trans169.8115161.900000113.5
304S41.8Very low41.2Very low110 Ų110133.4 Ų133.477%0.76979%0.785SS**  trans-74.7170.8-165.2-42.30000116.9
305D44Very low41.6Very low144 Ų144133.4 Ų133.477%0.7779%0.785SS**  trans89.492.4151.8-70-60.6000119.9
306E43.1Very low42.1Very low160 Ų160135.6 Ų135.675%0.74879%0.786SS**  50.1126.5108.2-156.3155.9119.200120.7
307Q42.1Very low42.4Very low168 Ų168131.4 Ų131.479%0.78578%0.782SS**  trans85.596.7153.6-86.7164.417.700121
308V45.9Very low43Very low129 Ų129127.8 Ų127.878%0.78277%0.77SS**  trans-56173.9145.4-143.90000110.7
309P46Very low43.5Very low108 Ų108125.9 Ų125.970%0.70177%0.765SS**  cis-134.1176.9-16.911.515.3000115.5
310S41Very low43.8Very low107 Ų107127 Ų12775%0.74876%0.763SS**  117.6120.8126.9-1120000119
311S42.3Very low44.6Very low103 Ų103128.1 Ų128.172%0.7276%0.764SS**  trans66.8113.4143.872.10000119.3
312S45.9Very low44.9Very low109 Ų109128 Ų12876%0.76276%0.763SS**  140.3119.3102.665.30000113.1
313H44.5Very low45.2Very low187 Ų187122.8 Ų122.887%0.86675%0.75SS**  trans81.1135132.1-118.842.4000121.4
314V46.3Very low45.3Very low128 Ų128124.6 Ų124.678%0.77675%0.746SS**  trans10193.8151.5-161.20000118.4
315N42.2Very low45.4Very low147 Ų147126.7 Ų126.779%0.78675%0.748SS**  trans-55.9-177.3150.5-86-32.4000113.3
316P51Low45.5Very low114 Ų114129 Ų12974%0.7475%0.754SS**  cis-138.5-161.6-35.636.5-16.1000112.3
317A43.1Very low45.1Very low91 Ų91128.9 Ų128.975%0.75276%0.758SS**  trans85.4139.7164.500000115.1
318S52.3Low45.5Very low95 Ų95125.7 Ų125.766%0.66476%0.755SS**  cis-165.5150.627-23.80000110.2
319D48.7Very low45.4Very low137 Ų137127.7 Ų127.773%0.73376%0.761SS**  trans75.5134.5132.9-59.4-21.4000124.3
320N46.7Very low45.2Very low132 Ų132125.6 Ų125.671%0.70676%0.76SS**  trans92.5137.8141.3-71.1-21.2000119.2
321I50.9Low45.5Very low133 Ų133128.6 Ų128.668%0.68277%0.765SS**  cis179.3143.5-16.8-123.2178.4000104.3
322V47.2Very low45.8Very low136 Ų136128 Ų12882%0.82476%0.761SS**  trans65.6135.6150.4174.50000118.6
323G44.6Very low45.7Very low62 Ų62131.9 Ų131.964%0.63977%0.767SS**  cis165.9168.6200000111.4
324T42.1Very low45.8Very low117 Ų117126.8 Ų126.872%0.71877%0.765SS**  trans78.197.5146.9-46.20000117.3
325L44.1Very low45.7Very low153 Ų153130.2 Ų130.280%0.80177%0.772SS**  64.111692.7-64.4170.8000114.8
326Q44.7Very low46Very low193 Ų193128.1 Ų128.190%0.90278%0.776SS**  175.1137105.9-102.5169.8-45.100113.3
327N35.2Very low45.9Very low157 Ų157131.4 Ų131.484%0.8478%0.781SS**  trans-72.5156.5173.3-60.5-20.2000112.8
328S50.4Low46.3Very low102 Ų102133.8 Ų133.871%0.71378%0.781SS**  trans162.1110.7136.751.60000108.6
329D43.6Very low46.1Very low170 Ų170134 Ų13491%0.90978%0.783SS**  85.6136.388.8-75.9-39.5000114.8
330G42.1Very low46.4Very low65 Ų65135 Ų13567%0.6778%0.783SS**  trans118.589.3161.700000114.4
331I48.4Very low46.1Very low169 Ų169134.3 Ų134.387%0.86778%0.783SS**  79.8120.478.2-66.9172.1000114.4
332S48.1Very low46.3Very low90 Ų90135.8 Ų135.863%0.62979%0.792SS**  trans88109.2141-172.30000121.7
333E44.1Very low46.1Very low192 Ų192136.3 Ų136.390%0.89779%0.789SS**  52.4131.8123.8-53.8-174170.200121.3
334G46.9Very low46.2Very low79 Ų79138.3 Ų138.381%0.81479%0.793SS**  trans178.489.1165.700000111.5
335E42.3Very low46.6Very low200 Ų200138.8 Ų138.894%0.93580%0.796SS**  trans-55.8146.5171.8-62170.7116.800112.8
336A50.2Low46.7Very low103 Ų103136.7 Ų136.785%0.85180%0.8SS**  trans-163.5107.6144.600000110.2
337E47.4Very low47.2Very low184 Ų184133.3 Ų133.386%0.8680%0.798SS**  trans-61.1144166.4-55.5-177.6130.900110.9
338N51.3Low47.6Very low141 Ų141131.8 Ų131.875%0.75480%0.798SS**  trans-144103.5153-154.523.6000110.6
339S48.3Very low48.2Very low100 Ų100131.5 Ų131.570%0.69980%0.802SS**  trans-80134.4168.8-66.90000110.3
340H54.9Low48.4Very low158 Ų158131.7 Ų131.773%0.73180%0.797SS**  trans-131.595.4159.3-94-83.6000109.7
341T41.6Very low49.4Very low116 Ų116137.5 Ų137.571%0.71281%0.806SS**  trans-85.4125158.8-54.60000107.9I343T341-I343 HydrophobicContact CG2-CD1 4.45Å; T341-I343 HydrophobicContact CG2-CG1 4.2Å
342L55.1Low50Low164 Ų164136.5 Ų136.586%0.85980%0.798SS**  trans-121.4108.9162.5-76.1-179.1000109.5
343I42.3Very low51Low148 Ų148137.9 Ų137.976%0.75981%0.805SS**  trans-90.4130.8161.4-65.8165.7000106.8T341T341-I343 HydrophobicContact CG2-CD1 4.45Å; T341-I343 HydrophobicContact CG2-CG1 4.2Å
344S47.2Very low51.6Low104 Ų104135.6 Ų135.673%0.72780%0.798SS**  trans164.8139.3152.7-84.90000108
345T51Low52.5Low127 Ų127138.5 Ų138.578%0.77980%0.8SS**  cis-171144-0.819.10000104.1
346A44.8Very low53.3Low108 Ų108144.1 Ų144.189%0.89381%0.813SS**  trans-59.8139.9173.200000111.7
347S56Low53.4Low123 Ų123146.2 Ų146.286%0.8681%0.811SS**  trans-125.8114.1161.4-1690000108.3
348C44Very low53.8Low125 Ų125144.2 Ų144.285%0.84581%0.808SS**  trans-90.2117.2177.3-162.30000107.4
349A62.8Low53.9Low95 Ų95144.3 Ų144.379%0.78581%0.811SS**  trans-109.4118.6170.500000108.6
350H46.9Very low54.2Low175 Ų175146.9 Ų146.981%0.8182%0.818SS**  trans-95.8119.2-178-160.8-75.2000107.3
351E63.9Low54.2Low186 Ų186146.3 Ų146.387%0.86982%0.823SS**  trans-124.5122.4169.5-69.9-117.5124.100108.6
352E61.7Low55Low148 Ų148148.3 Ų148.369%0.69283%0.831SS**  trans-62.4163.8172.3-81.4-163.6132.800112.3
353P68Low55Low120 Ų120147.1 Ų147.178%0.77983%0.829SS**  -138.9139.6105.433.1-18.4000114.9
354L57.1Low56Low143 Ų143147.1 Ų147.175%0.74983%0.834SS**  trans-53.8125.5165-144.578.5000111.8
355T65.7Low56.8Low140 Ų140150.7 Ų150.786%0.85984%0.843SS**  trans-168.990.1151.711.70000110.3
356R59.3Low57.3Low318 Ų318152.8 Ų152.8100%1.285%0.849SS**  178.10126.6-162.3170.3-172.2-179.21.8110.9

Retrieved 356 of 356 residues in 64.1 ms (Link to these results)

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