G4LZ63_SCHMA Loading...

SANT domain-containing protein

AlphaFold DB , UniProt , Accession G4LZ63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 408 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
1M44.5Very low37.8Very low233 Ų233144.5 Ų144.5100%1.14880%0.803SS**  0129.30-77.4-176.616900108.2
2Q38Very low37.8Very low191 Ų191140.8 Ų140.889%0.89379%0.794SS**  trans-64.3131.3173.7-72167.6-18.100109.9
3H40.6Very low37.8Very low170 Ų170134.1 Ų134.179%0.78778%0.775SS**  trans-12699.5153-74.4-66.3000105.6
4S38.2Very low38Very low94 Ų94138 Ų13866%0.65778%0.779SS**  85.896.291.8-63.40000112.3
5T36.1Very low38.3Very low115 Ų115141.7 Ų141.771%0.70678%0.775SS**  47.883.3128.337.50000117.6
6G36.1Very low38.9Very low72 Ų72137.1 Ų137.174%0.74276%0.757SS**  trans-86.187139.100000108.7S8G6-S8 PolarHBondContact O-N 3.34Å
7N37Very low40Very low145 Ų145137.9 Ų137.978%0.77575%0.754SS**  trans-63.674.9160.7-82.9-11000108L9N7-L9 VanDerWaalsContact C-N 3.26Å; N7-L9 PolarHBondContact O-N 3.22Å; N7-L9 VanDerWaalsContact O-N 3.1Å
8S36.5Very low42Very low106 Ų106140.4 Ų140.474%0.74175%0.75SS**  trans-73.797.6154.850.90000105G6 P10G6-S8 PolarHBondContact O-N 3.34Å; S8-P10 WeakPolarHBondContact O-CD 3.47Å
9L35.1Very low44.2Very low149 Ų149134.9 Ų134.978%0.7872%0.718SS**  trans-33.2118.9149.7-121.683.9000105.5N7 K11N7-L9 VanDerWaalsContact C-N 3.26Å; N7-L9 PolarHBondContact O-N 3.22Å; N7-L9 VanDerWaalsContact O-N 3.1Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.18Å
10P35.7Very low46.3Very low108 Ų108131.6 Ų131.670%0.70170%0.703SS**  trans-55.2116.616822.3-28.9000103.3S8 S12S8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-S12 PolarHBondContact O-N 2.79Å
11K37.9Very low48.1Very low207 Ų207126.8 Ų126.890%0.968%0.677SS**  trans-6179.7161.3-75.9177.7177.3175.50104.1L9 G13L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.18Å; K11-G13 PolarHBondContact O-N 2.64Å
12S37.6Very low50.2Low99 Ų99121.5 Ų121.569%0.69265%0.647SS**  trans-66.458.5151.363.10000105.4P10 K14P10-S12 PolarHBondContact O-N 2.79Å; S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3.1Å
13G38.6Very low52.7Low54 Ų54113 Ų11356%0.55761%0.608SS**  trans-54.6110.9163.400000102.9K11 R15K11-G13 PolarHBondContact O-N 2.64Å; G13-R15 PolarHBondContact O-N 2.86Å
14K40.7Very low55.1Low189 Ų189105.1 Ų105.182%0.82257%0.571SS**  trans-44.783.3-175.7-64.7172.7177.4-179.90109.5S12 S16S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3.1Å; K14-S16 PolarHBondContact O-N 2.89Å; K14-S16 PolarHBondContact O-OG 2.8Å
15R41.7Very low57.6Low193 Ų193103.7 Ų103.773%0.72855%0.551SS**  trans-73.622.4168.2-88.1-171.5174.7176.72.2110.5G13 E17 R18G13-R15 PolarHBondContact O-N 2.86Å; R15-E17 PolarHBondContact O-N 3.27Å; R15-R18 PolarHBondContact O-N 3.22Å
16S48.1Very low60.4Low68 Ų6898.8 Ų98.848%0.47652%0.52SS..THydrogen-bonded Turntrans-49.3-18.4175.163.10000113.9K14 S70 K72K14-S16 PolarHBondContact O-N 2.89Å; K14-S16 PolarHBondContact O-OG 2.8Å; S16-S70 WeakPolarHBondContact O-CB 3.26Å; S16-S70 PolarHBondContact O-OG 3.11Å; S16-K72 PolarHBondContact O-NZ 2.76Å
17E57.4Low63.1Low152 Ų15295.4 Ų95.471%0.7149%0.485SS*.THydrogen-bonded Turntrans-89-15.2-178.6-146.1175.4-17500114.4R15R15-E17 PolarHBondContact O-N 3.27Å
18R76.3Confident65.8Low183 Ų18388.6 Ų88.669%0.69145%0.448SS*.SBendtrans-88.2127.1-178.6-67.7-169.7178.9-150.50.3110.7R15R15-R18 PolarHBondContact O-N 3.22Å
19Y84.1Confident68.5Low36 Ų3688 Ų8814%0.14143%0.434CS..PPolyproline II helixtrans-69135.4169.6-63.4-90.1000110.4E23 L24 L27 K72 L77 W80Y19-E23 WeakPolarHBondContact CA-OE2 3.28Å; Y19-E23 HydrophobicContact CD1-CB 4.47Å; Y19-L24 HydrophobicContact CD2-CD2 4.36Å; Y19-L24 HydrophobicContact CG-CD2 3.92Å; Y19-L24 HydrophobicContact CG-CG 4.48Å; Y19-L27 HydrophobicContact CD1-CD1 3.71Å; Y19-L27 HydrophobicContact CE1-CD1 3.63Å; Y19-K72 HydrophobicContact CE1-CD 4.19Å; Y19-K72 HydrophobicContact CE1-CG 3.96Å; Y19-L77 HydrophobicContact CE1-CD2 3.84Å; Y19-W80 AromaticContact CD2-CD1 3.53Å; Y19-W80 HydrophobicContact CD2-CG 4.24Å; Y19-W80 AromaticContact CD2-NE1 3.83Å; Y19-W80 HydrophobicContact CE2-CB 3.87Å; Y19-W80 AromaticContact CE2-CD1 3.25Å; Y19-W80 HydrophobicContact CE2-CD2 4.48Å; Y19-W80 AromaticContact CE2-CG 3.6Å; Y19-W80 HydrophobicContact CE2-CG 3.6Å; Y19-W80 AromaticContact CE2-NE1 3.97Å; Y19-W80 AromaticContact CZ-CD1 3.91Å; Y19-W80 AromaticContact CZ-CG 3.8Å
20T85.9Confident71.3Confident67 Ų6781.5 Ų81.541%0.41140%0.4SS..PPolyproline II helixtrans-71.5160.9170.571.60000110.5K22 E23 L24T20-K22 VanDerWaalsContact C-N 3.26Å; T20-K22 PolarHBondContact O-N 3.3Å; T20-E23 PolarHBondContact N-OE2 2.77Å; T20-E23 PolarHBondContact O-N 2.94Å; T20-E23 WeakPolarHBondContact OG1-CB 3.29Å; T20-E23 WeakPolarHBondContact OG1-CG 3.15Å; T20-E23 PolarHBondContact OG1-N 3.5Å; T20-E23 VanDerWaalsContact OG1-N 3.08Å; T20-L24 VanDerWaalsContact O-CG 3.26Å; T20-L24 WeakPolarHBondContact O-CG 3.14Å; T20-L24 PolarHBondContact O-N 3.36Å
21Q85Confident74.1Confident32 Ų3276.3 Ų76.315%0.1537%0.366CS..Hα-helixtrans-60-38.8175.1178.1172.3-24.500111.8L24 R25 V112 E114 Y119Q21-L24 PolarHBondContact O-N 2.94Å; Q21-R25 WeakPolarHBondContact O-CB 3.49Å; Q21-R25 WeakPolarHBondContact O-CG 3.4Å; Q21-R25 PolarHBondContact O-N 2.68Å; Q21-V112 PolarHBondContact NE2-O 3.34Å; Q21-E114 PolarHBondContact OE1-O 3.09Å; Q21-E114 VanDerWaalsContact OE1-O 3.12Å; Q21-Y119 HydrophobicContact CB-CD1 4.44Å; Q21-Y119 HydrophobicContact CB-CD2 4.29Å; Q21-Y119 HydrophobicContact CB-CE1 4.4Å; Q21-Y119 HydrophobicContact CB-CE2 4.22Å; Q21-Y119 HydrophobicContact CB-CG 4.42Å; Q21-Y119 HydrophobicContact CG-CD1 4.3Å; Q21-Y119 HydrophobicContact CG-CD2 3.93Å; Q21-Y119 HydrophobicContact CG-CE2 4.35Å; Q21-Y119 HydrophobicContact CG-CG 3.92Å
22K88.3Confident76.7Confident122 Ų12270.3 Ų70.353%0.5334%0.341SS..Hα-helixtrans-63.7-44.4177.1-69.9177.3176.9151.40111.7T20 R25 F26 F66 E114T20-K22 VanDerWaalsContact C-N 3.26Å; T20-K22 PolarHBondContact O-N 3.3Å; K22-R25 PolarHBondContact O-N 2.61Å; K22-F26 WeakPolarHBondContact O-CB 2.98Å; K22-F26 PolarHBondContact O-N 3.31Å; K22-F66 HydrophobicContact CB-CE1 3.92Å; K22-F66 HydrophobicContact CB-CZ 4.05Å; K22-E114 WeakPolarHBondContact CE-OE1 3.3Å; K22-E114 IonicContact NZ-OE1 2.77Å; K22-E114 PolarHBondContact NZ-OE1 3.39Å
23E90.2Very high79.4Confident13 Ų1370.4 Ų70.46%0.06133%0.329CS..Hα-helixtrans-61.8-44.1174.2-73.5164.7-172.600111.6Y19 T20 R25 F26 L27 L62 F66 S69Y19-E23 WeakPolarHBondContact CA-OE2 3.28Å; Y19-E23 HydrophobicContact CD1-CB 4.47Å; T20-E23 PolarHBondContact N-OE2 2.77Å; T20-E23 PolarHBondContact O-N 2.94Å; T20-E23 WeakPolarHBondContact OG1-CB 3.29Å; T20-E23 WeakPolarHBondContact OG1-CG 3.15Å; T20-E23 PolarHBondContact OG1-N 3.5Å; T20-E23 VanDerWaalsContact OG1-N 3.08Å; E23-R25 VanDerWaalsContact C-N 3.35Å; E23-R25 PolarHBondContact O-N 2.9Å; E23-F26 PolarHBondContact O-N 3.17Å; E23-L27 WeakPolarHBondContact O-CB 3.3Å; E23-L27 VanDerWaalsContact O-CG 3.23Å; E23-L27 WeakPolarHBondContact O-CG 3.18Å; E23-L27 PolarHBondContact O-N 2.95Å; E23-L62 HydrophobicContact CB-CD1 4.37Å; E23-L62 HydrophobicContact CG-CD1 4.31Å; E23-F66 HydrophobicContact CG-CD1 4.37Å; E23-F66 HydrophobicContact CG-CD2 3.94Å; E23-F66 HydrophobicContact CG-CE2 4.14Å; E23-F66 HydrophobicContact CG-CG 4.06Å; E23-F66 HydrophobicContact CG-CZ 4.45Å; E23-S69 WeakPolarHBondContact OE1-CB 3.21Å
24L90.9Very high82Confident4 Ų468 Ų682%0.02130%0.303CS..Hα-helixtrans-65.7-38.1179.8-68.9169000112.5Y19 T20 Q21 L28 W80 Y119 F120 I123Y19-L24 HydrophobicContact CD2-CD2 4.36Å; Y19-L24 HydrophobicContact CG-CD2 3.92Å; Y19-L24 HydrophobicContact CG-CG 4.48Å; T20-L24 VanDerWaalsContact O-CG 3.26Å; T20-L24 WeakPolarHBondContact O-CG 3.14Å; T20-L24 PolarHBondContact O-N 3.36Å; Q21-L24 PolarHBondContact O-N 2.94Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.36Å; L24-W80 VanDerWaalsContact CD2-CE2 3.47Å; L24-W80 HydrophobicContact CD2-CH2 4.46Å; L24-W80 HydrophobicContact CD2-CZ2 3.32Å; L24-Y119 HydrophobicContact CD1-CE2 3.68Å; L24-F120 HydrophobicContact CD1-CD1 4.44Å; L24-F120 HydrophobicContact CD1-CE1 3.63Å; L24-F120 HydrophobicContact CD1-CZ 4.16Å; L24-I123 HydrophobicContact CB-CD1 3.78Å; L24-I123 HydrophobicContact CD1-CD1 4.26Å
25R91.4Very high84.5Confident64 Ų6460 Ų6024%0.24227%0.27CS..Hα-helixtrans-64.9-49.6175.3-77.7-68-177-167.23.4111Q21 K22 E23 L27 L28 E29 E126Q21-R25 WeakPolarHBondContact O-CB 3.49Å; Q21-R25 WeakPolarHBondContact O-CG 3.4Å; Q21-R25 PolarHBondContact O-N 2.68Å; K22-R25 PolarHBondContact O-N 2.61Å; E23-R25 VanDerWaalsContact C-N 3.35Å; E23-R25 PolarHBondContact O-N 2.9Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.03Å; R25-L28 PolarHBondContact O-N 3.39Å; R25-L28 VanDerWaalsContact O-N 3.13Å; R25-E29 WeakPolarHBondContact O-CG 3.38Å; R25-E29 PolarHBondContact O-N 2.85Å; R25-E126 IonicContact CZ-OE1 2.92Å; R25-E126 IonicContact NH1-OE1 3.44Å; R25-E126 PolarHBondContact NH1-OE1 2.85Å; R25-E126 IonicContact NH1-OE2 2.65Å; R25-E126 PolarHBondContact NH1-OE2 3.22Å; R25-E126 IonicContact NH2-OE1 3.61Å; R25-E126 PolarHBondContact NH2-OE1 3.15Å
26F93.6Very high87Confident12 Ų1251.2 Ų51.25%0.05324%0.238CC..Hα-helixtrans-58.2-44.6174.9172.1-103.4000112.8K22 E23 L28 E29 E30 K61 L62 K65 F66K22-F26 WeakPolarHBondContact O-CB 2.98Å; K22-F26 PolarHBondContact O-N 3.31Å; E23-F26 PolarHBondContact O-N 3.17Å; F26-L28 VanDerWaalsContact C-N 3.28Å; F26-L28 PolarHBondContact O-N 2.92Å; F26-E29 PolarHBondContact O-N 3.45Å; F26-E30 HydrophobicContact CD2-CG 4.17Å; F26-E30 HydrophobicContact CE1-CG 3.94Å; F26-E30 HydrophobicContact CE2-CG 3.56Å; F26-E30 HydrophobicContact CZ-CG 3.43Å; F26-E30 VanDerWaalsContact CZ-CG 3.43Å; F26-E30 PolarHBondContact O-N 2.83Å; F26-K61 HydrophobicContact CE1-CB 4.48Å; F26-K61 HydrophobicContact CZ-CB 3.89Å; F26-L62 HydrophobicContact CD1-CB 4.48Å; F26-L62 HydrophobicContact CD1-CD1 3.52Å; F26-L62 HydrophobicContact CE1-CB 3.97Å; F26-L62 HydrophobicContact CE1-CD1 3.89Å; F26-K65 HydrophobicContact CB-CD 4.39Å; F26-K65 HydrophobicContact CD1-CD 4.36Å; F26-K65 HydrophobicContact CD2-CD 3.29Å; F26-K65 HydrophobicContact CE2-CD 3.46Å; F26-K65 VanDerWaalsContact CE2-CD 3.46Å; F26-K65 HydrophobicContact CG-CD 3.74Å; F26-K65 HydrophobicContact CZ-CD 4.09Å; F26-F66 HydrophobicContact CB-CE2 3.85Å; F26-F66 HydrophobicContact CB-CZ 4.22Å; F26-F66 AromaticContact CD1-CE2 3.99Å; F26-F66 HydrophobicContact CD1-CE2 3.99Å; F26-F66 AromaticContact CG-CE2 3.96Å; F26-F66 HydrophobicContact CG-CE2 3.96Å
27L93.9Very high89.2Confident0 Ų048 Ų480%022%0.216CC..Hα-helixtrans-61.6-38.9177.1-76.4171.7000111.9Y19 E23 R25 V31 I58 L62 L77 W80Y19-L27 HydrophobicContact CD1-CD1 3.71Å; Y19-L27 HydrophobicContact CE1-CD1 3.63Å; E23-L27 WeakPolarHBondContact O-CB 3.3Å; E23-L27 VanDerWaalsContact O-CG 3.23Å; E23-L27 WeakPolarHBondContact O-CG 3.18Å; E23-L27 PolarHBondContact O-N 2.95Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.03Å; L27-V31 VanDerWaalsContact O-CB 3.27Å; L27-V31 WeakPolarHBondContact O-CB 3.42Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 2.98Å; L27-I58 HydrophobicContact CD2-CG2 3.76Å; L27-L62 HydrophobicContact CD2-CD1 4.19Å; L27-L62 HydrophobicContact CD2-CD2 4.29Å; L27-L62 HydrophobicContact CG-CD1 4.14Å; L27-L77 HydrophobicContact CD1-CD2 4.11Å; L27-L77 HydrophobicContact CD2-CD1 4.18Å; L27-L77 HydrophobicContact CD2-CD2 3.93Å; L27-W80 HydrophobicContact CB-CH2 3.61Å; L27-W80 HydrophobicContact CB-CZ2 4.44Å; L27-W80 HydrophobicContact CB-CZ3 3.75Å; L27-W80 HydrophobicContact CD1-CD2 4.32Å; L27-W80 HydrophobicContact CD1-CE3 4.07Å; L27-W80 HydrophobicContact CD1-CH2 4.04Å; L27-W80 HydrophobicContact CD1-CZ2 4.28Å; L27-W80 HydrophobicContact CD1-CZ3 3.92Å; L27-W80 HydrophobicContact CG-CH2 4.46Å; L27-W80 HydrophobicContact CG-CZ3 4.34Å
28L93.1Very high90.9Very high2 Ų241.3 Ų41.31%0.0119%0.185CC..Hα-helixtrans-67.1-42.2177-174.761.2000111.5L24 R25 F26 V31 Q32 W81 I123 E126 V127L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.36Å; R25-L28 PolarHBondContact O-N 3.39Å; R25-L28 VanDerWaalsContact O-N 3.13Å; F26-L28 VanDerWaalsContact C-N 3.28Å; F26-L28 PolarHBondContact O-N 2.92Å; L28-V31 PolarHBondContact O-N 3.41Å; L28-Q32 HydrophobicContact CD1-CG 4.44Å; L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 VanDerWaalsContact O-CG 3.24Å; L28-Q32 WeakPolarHBondContact O-CG 3.38Å; L28-Q32 PolarHBondContact O-N 2.78Å; L28-W81 HydrophobicContact CD1-CH2 4.07Å; L28-W81 HydrophobicContact CD1-CZ3 3.91Å; L28-I123 HydrophobicContact CD2-CG2 4.43Å; L28-E126 HydrophobicContact CD2-CB 3.94Å; L28-E126 WeakPolarHBondContact CD2-OE2 3.29Å; L28-V127 HydrophobicContact CD1-CG2 3.8Å
29E93.9Very high91.6Very high95 Ų9533.7 Ų33.744%0.44416%0.157SC..Hα-helixtrans-59.5-48.7175.4-71.7162.5-164.800111.7R25 F26 V31 Q32 K33R25-E29 WeakPolarHBondContact O-CG 3.38Å; R25-E29 PolarHBondContact O-N 2.85Å; F26-E29 PolarHBondContact O-N 3.45Å; E29-V31 PolarHBondContact O-N 3.06Å; E29-Q32 PolarHBondContact O-N 3.4Å; E29-K33 PolarHBondContact O-N 3.01Å
30E94.1Very high91.9Very high11 Ų1132.3 Ų32.35%0.05115%0.152CC..Hα-helixtrans-67.6-35.1178.3-68.9-59.9124.300112.5F26 Q32 K33 I58 K61F26-E30 HydrophobicContact CD2-CG 4.17Å; F26-E30 HydrophobicContact CE1-CG 3.94Å; F26-E30 HydrophobicContact CE2-CG 3.56Å; F26-E30 HydrophobicContact CZ-CG 3.43Å; F26-E30 VanDerWaalsContact CZ-CG 3.43Å; F26-E30 PolarHBondContact O-N 2.83Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.94Å; E30-K33 PolarHBondContact O-N 3.34Å; E30-K33 WeakPolarHBondContact OE1-CE 3.1Å; E30-K33 IonicContact OE1-NZ 2.7Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å; E30-K33 IonicContact OE2-NZ 3.52Å; E30-I58 HydrophobicContact CB-CG1 4.23Å; E30-I58 HydrophobicContact CB-CG2 4.34Å; E30-K61 VanDerWaalsContact OE2-CD 3.26Å; E30-K61 WeakPolarHBondContact OE2-CD 3.43Å; E30-K61 IonicContact OE2-NZ 2.93Å; E30-K61 PolarHBondContact OE2-NZ 3.25Å
31V93.8Very high92Very high0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-66.5-34.3174.3164.10000111.5L27 L28 E29 K33 I38 W55 I58 W81 F130L27-V31 VanDerWaalsContact O-CB 3.27Å; L27-V31 WeakPolarHBondContact O-CB 3.42Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 2.98Å; L28-V31 PolarHBondContact O-N 3.41Å; E29-V31 PolarHBondContact O-N 3.06Å; V31-K33 PolarHBondContact O-N 3.26Å; V31-I38 VanDerWaalsContact CA-CD1 3.49Å; V31-I38 HydrophobicContact CB-CD1 3.84Å; V31-I38 HydrophobicContact CG1-CD1 3.65Å; V31-I38 HydrophobicContact CG1-CG2 4.15Å; V31-I38 HydrophobicContact CG2-CD1 3.89Å; V31-I38 WeakPolarHBondContact O-CD1 3.47Å; V31-W55 HydrophobicContact CG2-CH2 3.73Å; V31-W55 HydrophobicContact CG2-CZ3 4.16Å; V31-I58 HydrophobicContact CG2-CD1 4.46Å; V31-W81 HydrophobicContact CB-CZ3 4.42Å; V31-W81 HydrophobicContact CG1-CD2 4.19Å; V31-W81 HydrophobicContact CG1-CE3 4.14Å; V31-W81 HydrophobicContact CG1-CH2 3.52Å; V31-W81 HydrophobicContact CG1-CZ2 3.6Å; V31-W81 HydrophobicContact CG1-CZ3 3.79Å; V31-W81 HydrophobicContact CG2-CE3 4.32Å; V31-F130 HydrophobicContact CG1-CE1 4.09Å; V31-F130 HydrophobicContact CG1-CZ 3.96Å
32Q92.7Very high92.1Very high80 Ų8034.2 Ų34.237%0.37417%0.166SC..Hα-helixtrans-71.8-15.4179.1-78.3173.8-7.500113.9L28 E29 E30 P35 F130L28-Q32 HydrophobicContact CD1-CG 4.44Å; L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 VanDerWaalsContact O-CG 3.24Å; L28-Q32 WeakPolarHBondContact O-CG 3.38Å; L28-Q32 PolarHBondContact O-N 2.78Å; E29-Q32 PolarHBondContact O-N 3.4Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.94Å; Q32-P35 WeakPolarHBondContact O-CD 3.15Å; Q32-F130 HydrophobicContact CB-CE2 4.48Å; Q32-F130 HydrophobicContact CG-CD2 3.89Å; Q32-F130 HydrophobicContact CG-CE2 4.09Å
33K92.8Very high91.9Very high102 Ų10232.8 Ų32.844%0.44317%0.171SC..Hα-helixtrans-71.1-33.6178.2-71178.5178.1177.10113.7E29 E30 V31 P35E29-K33 PolarHBondContact O-N 3.01Å; E30-K33 PolarHBondContact O-N 3.34Å; E30-K33 WeakPolarHBondContact OE1-CE 3.1Å; E30-K33 IonicContact OE1-NZ 2.7Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å; E30-K33 IonicContact OE2-NZ 3.52Å; V31-K33 PolarHBondContact O-N 3.26Å; K33-P35 WeakPolarHBondContact O-CD 3.43Å
34Y94.3Very high91.8Very high2 Ų236.2 Ų36.21%0.00819%0.187CC..SBendtrans-128.563.8-176.2-42.1-81.8000111.9N36 I37 I38 L54 E146 F150 E153Y34-N36 PolarHBondContact O-N 3.17Å; Y34-I37 PolarHBondContact O-N 3.1Å; Y34-I38 WeakPolarHBondContact O-CG1 3.36Å; Y34-I38 PolarHBondContact O-N 2.89Å; Y34-I38 VanDerWaalsContact O-N 3.14Å; Y34-L54 HydrophobicContact CD2-CD1 3.39Å; Y34-L54 HydrophobicContact CD2-CD2 4.25Å; Y34-L54 HydrophobicContact CD2-CG 4.45Å; Y34-L54 HydrophobicContact CE2-CD1 3.73Å; Y34-L54 HydrophobicContact CG-CD1 4.06Å; Y34-L54 HydrophobicContact CG-CD2 4.38Å; Y34-E146 WeakPolarHBondContact CA-OE2 3.46Å; Y34-F150 HydrophobicContact CD1-CB 3.96Å; Y34-F150 HydrophobicContact CE1-CB 3.64Å; Y34-F150 HydrophobicContact CE1-CD2 4.12Å; Y34-F150 HydrophobicContact CE1-CG 4.38Å; Y34-F150 HydrophobicContact CE2-CD2 4.11Å; Y34-F150 AromaticContact CZ-CD2 3.81Å; Y34-E153 PolarHBondContact OH-OE2 2.78Å
35P93.8Very high91.6Very high21 Ų2139.4 Ų39.414%0.13621%0.21CC..Hα-helixtrans-59.8-44.9-173.97.6-16.3000114.7Q32 K33 I37 I38 E39 F130 I134 E146Q32-P35 WeakPolarHBondContact O-CD 3.15Å; K33-P35 WeakPolarHBondContact O-CD 3.43Å; P35-I37 VanDerWaalsContact C-N 3.33Å; P35-I38 PolarHBondContact O-N 3.5Å; P35-E39 PolarHBondContact O-N 3.39Å; P35-F130 HydrophobicContact CB-CE2 3.58Å; P35-F130 HydrophobicContact CB-CZ 3.83Å; P35-F130 HydrophobicContact CG-CE2 4.41Å; P35-I134 HydrophobicContact CB-CD1 3.2Å; P35-I134 HydrophobicContact CB-CG1 3.49Å; P35-I134 VanDerWaalsContact CB-CG1 3.49Å; P35-I134 HydrophobicContact CG-CD1 3.94Å; P35-E146 WeakPolarHBondContact CD-OE1 3.17Å; P35-E146 VanDerWaalsContact CG-OE1 3.27Å; P35-E146 WeakPolarHBondContact CG-OE1 3.37Å
36N93.6Very high91.5Very high10 Ų1039.9 Ų39.95%0.05322%0.215CC..Hα-helixtrans-70.1-34.4-174.5-66.1-70.8000110.4Y34 S40 Y138 K142 E143 E146Y34-N36 PolarHBondContact O-N 3.17Å; N36-S40 VanDerWaalsContact O-CA 3.24Å; N36-S40 WeakPolarHBondContact O-CA 3.45Å; N36-S40 WeakPolarHBondContact O-CB 3.26Å; N36-S40 PolarHBondContact O-N 3.43Å; N36-Y138 HydrophobicContact CB-CD2 4.1Å; N36-Y138 HydrophobicContact CB-CE2 4.36Å; N36-Y138 WeakPolarHBondContact OD1-CA 3.38Å; N36-K142 HydrophobicContact CB-CB 4.34Å; N36-E143 HydrophobicContact CB-CB 4.27Å; N36-E146 WeakPolarHBondContact CA-OE2 3.27Å; N36-E146 WeakPolarHBondContact CB-OE2 3.45Å; N36-E146 PolarHBondContact N-OE1 2.89Å; N36-E146 PolarHBondContact N-OE2 3.48Å; N36-E146 PolarHBondContact ND2-OE1 3.41Å
37I93.4Very high91.4Very high0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-66.2-47.5172.1-54177.3000111.1Y34 P35 R50 K51 L54 E143 E146 F147Y34-I37 PolarHBondContact O-N 3.1Å; P35-I37 VanDerWaalsContact C-N 3.33Å; I37-R50 HydrophobicContact CG2-CB 4.06Å; I37-K51 HydrophobicContact CG2-CG 4.23Å; I37-K51 WeakPolarHBondContact O-CE 3.41Å; I37-K51 VanDerWaalsContact O-CG 3.25Å; I37-K51 WeakPolarHBondContact O-CG 3.38Å; I37-L54 HydrophobicContact CB-CD2 3.99Å; I37-L54 HydrophobicContact CG2-CB 4.5Å; I37-L54 HydrophobicContact CG2-CD2 3.76Å; I37-E143 HydrophobicContact CG1-CG 4.26Å; I37-E146 HydrophobicContact CD1-CB 4.03Å; I37-E146 HydrophobicContact CG1-CB 3.97Å; I37-E146 PolarHBondContact N-OE2 3.15Å; I37-E146 VanDerWaalsContact N-OE2 3.13Å; I37-F147 HydrophobicContact CD1-CB 3.93Å; I37-F147 HydrophobicContact CD1-CD2 4.05Å
38I93.5Very high91.3Very high12 Ų1245.1 Ų45.16%0.06224%0.238CC..Hα-helixtrans-70.6-46.3-171.9-70.3177.3000112.3V31 Y34 P35 L54 W55 I58V31-I38 VanDerWaalsContact CA-CD1 3.49Å; V31-I38 HydrophobicContact CB-CD1 3.84Å; V31-I38 HydrophobicContact CG1-CD1 3.65Å; V31-I38 HydrophobicContact CG1-CG2 4.15Å; V31-I38 HydrophobicContact CG2-CD1 3.89Å; V31-I38 WeakPolarHBondContact O-CD1 3.47Å; Y34-I38 WeakPolarHBondContact O-CG1 3.36Å; Y34-I38 PolarHBondContact O-N 2.89Å; Y34-I38 VanDerWaalsContact O-N 3.14Å; P35-I38 PolarHBondContact O-N 3.5Å; I38-L54 HydrophobicContact CD1-CD2 3.82Å; I38-L54 HydrophobicContact CG1-CD2 3.41Å; I38-L54 VanDerWaalsContact CG1-CD2 3.41Å; I38-W55 HydrophobicContact CG2-CZ2 4.35Å; I38-I58 HydrophobicContact CD1-CD1 4.41Å
39E91.6Very high91.1Very high22 Ų2249.7 Ų49.710%0.10326%0.259CS..Hα-helixtrans-95.59.8-178.9-66.3-58.5127.900113.6P35 W81 K85 F130 I134P35-E39 PolarHBondContact O-N 3.39Å; E39-W81 PolarHBondContact OE1-NE1 3.29Å; E39-K85 WeakPolarHBondContact OE1-CD 3.46Å; E39-K85 WeakPolarHBondContact OE1-CE 3.45Å; E39-K85 IonicContact OE1-NZ 3.34Å; E39-K85 PolarHBondContact OE1-NZ 2.88Å; E39-K85 IonicContact OE2-NZ 3.66Å; E39-K85 PolarHBondContact OE2-NZ 3.14Å; E39-F130 HydrophobicContact CG-CD1 4.32Å; E39-F130 HydrophobicContact CG-CE1 3.6Å; E39-F130 HydrophobicContact CG-CZ 4.36Å; E39-I134 HydrophobicContact CB-CB 4.26Å; E39-I134 HydrophobicContact CB-CG2 3.84Å
40S89.8Confident91.1Very high7 Ų746.6 Ų46.65%0.04924%0.243CC..  trans-48.8125.7178.6172.20000111N36 N42 T47 K51 Y138 E143N36-S40 VanDerWaalsContact O-CA 3.24Å; N36-S40 WeakPolarHBondContact O-CA 3.45Å; N36-S40 WeakPolarHBondContact O-CB 3.26Å; N36-S40 PolarHBondContact O-N 3.43Å; S40-N42 PolarHBondContact O-N 2.98Å; S40-N42 WeakPolarHBondContact OG-CB 3.42Å; S40-N42 PolarHBondContact OG-N 3.08Å; S40-N42 VanDerWaalsContact OG-N 3.13Å; S40-T47 WeakPolarHBondContact OG-CG2 3.22Å; S40-K51 PolarHBondContact O-NZ 3.26Å; S40-Y138 PolarHBondContact OG-OH 3.32Å; S40-E143 WeakPolarHBondContact CB-OE2 3.39Å; S40-E143 PolarHBondContact OG-OE2 3.48Å
41P87.5Confident91.1Very high87 Ų8747.3 Ų47.357%0.56525%0.246SC*.  trans-68.7-16.7173.230.2-34.9000111.8Y138P41-Y138 VanDerWaalsContact CD-CE1 3.41Å; P41-Y138 HydrophobicContact CG-CD1 3.63Å; P41-Y138 HydrophobicContact CG-CE1 3.42Å; P41-Y138 VanDerWaalsContact CG-CE1 3.42Å; P41-Y138 HydrophobicContact CG-CE2 4.49Å; P41-Y138 HydrophobicContact CG-CG 4.27Å
42N87.6Confident91.1Very high53 Ų5352 Ų5228%0.28327%0.266SS..  trans-68.9141.4-177.4-69.4-13.7000111.7S40 T47 Y138S40-N42 PolarHBondContact O-N 2.98Å; S40-N42 WeakPolarHBondContact OG-CB 3.42Å; S40-N42 PolarHBondContact OG-N 3.08Å; S40-N42 VanDerWaalsContact OG-N 3.13Å; N42-T47 HydrophobicContact CB-CG2 4.2Å; N42-T47 WeakPolarHBondContact O-CG2 3.49Å; N42-Y138 PolarHBondContact ND2-OH 3.46Å
43S84.8Confident91.2Very high91 Ų9149.8 Ų49.864%0.63626%0.258SS*.  trans-118.97.6-178.469.40000113.6K48S43-K48 WeakPolarHBondContact O-CE 3.23Å; S43-K48 PolarHBondContact O-NZ 3.38Å
44H87Confident91.3Very high86 Ų8644.9 Ų44.940%0.39824%0.237SC..SBendtrans-66.4161.6176.363.879.4000111.7E46 T47 K48H44-E46 VanDerWaalsContact C-N 3.28Å; H44-E46 WeakPolarHBondContact ND1-CB 3.43Å; H44-E46 PolarHBondContact ND1-N 2.95Å; H44-E46 PolarHBondContact O-N 2.81Å; H44-T47 PolarHBondContact CE1-N 3.23Å; H44-T47 PolarHBondContact CE1-OG1 3.12Å; H44-T47 PolarHBondContact ND1-N 2.82Å; H44-T47 PolarHBondContact NE2-OG1 2.92Å; H44-T47 PolarHBondContact O-N 2.68Å; H44-K48 WeakPolarHBondContact O-CG 3.22Å; H44-K48 PolarHBondContact O-N 3.43Å; H44-K48 VanDerWaalsContact O-N 3.1Å
45S88.2Confident91.3Very high71 Ų7145.1 Ų45.150%0.49724%0.238SC..Hα-helixtrans-59.5-38.5-173.955.70000112.7K48 H49S45-K48 WeakPolarHBondContact O-CB 3.36Å; S45-K48 PolarHBondContact O-N 2.79Å; S45-H49 PolarHBondContact O-N 2.9Å
46E89.6Confident91.3Very high73 Ų7348.2 Ų48.234%0.34125%0.251SS..Hα-helixtrans-63.4-53.3178-179.958-15000112.7H44 K48 H49 R50H44-E46 VanDerWaalsContact C-N 3.28Å; H44-E46 WeakPolarHBondContact ND1-CB 3.43Å; H44-E46 PolarHBondContact ND1-N 2.95Å; H44-E46 PolarHBondContact O-N 2.81Å; E46-K48 PolarHBondContact O-N 2.99Å; E46-H49 CarbonylContact O-C 3.5Å; E46-H49 WeakPolarHBondContact O-CA 3.33Å; E46-H49 WeakPolarHBondContact O-CB 3.41Å; E46-H49 PolarHBondContact O-N 3.01Å; E46-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 PolarHBondContact O-N 3.33Å; E46-R50 IonicContact OE1-CZ 3.23Å; E46-R50 IonicContact OE1-NE 3.84Å; E46-R50 PolarHBondContact OE1-NE 3.27Å; E46-R50 IonicContact OE1-NH2 2.62Å
47T90.2Very high91.4Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-57.3-35.8173.6-65.90000112.4S40 N42 H44 H49 K51 E143S40-T47 WeakPolarHBondContact OG-CG2 3.22Å; N42-T47 HydrophobicContact CB-CG2 4.2Å; N42-T47 WeakPolarHBondContact O-CG2 3.49Å; H44-T47 PolarHBondContact CE1-N 3.23Å; H44-T47 PolarHBondContact CE1-OG1 3.12Å; H44-T47 PolarHBondContact ND1-N 2.82Å; H44-T47 PolarHBondContact NE2-OG1 2.92Å; H44-T47 PolarHBondContact O-N 2.68Å; T47-H49 VanDerWaalsContact C-N 3.35Å; T47-K51 HydrophobicContact CG2-CD 4.01Å; T47-K51 HydrophobicContact CG2-CG 4.49Å; T47-K51 WeakPolarHBondContact O-CB 3.48Å; T47-K51 VanDerWaalsContact O-CG 3.3Å; T47-K51 WeakPolarHBondContact O-CG 2.93Å; T47-K51 PolarHBondContact O-N 3.17Å; T47-E143 WeakPolarHBondContact CB-OE1 3.49Å; T47-E143 WeakPolarHBondContact CG2-OE1 3.37Å; T47-E143 PolarHBondContact OG1-OE1 3.03Å
48K91.2Very high91.4Very high123 Ų12348.9 Ų48.954%0.53525%0.253SS..Hα-helixtrans-63.4-42.1174.5-75.2167.5173153.60111.4S43 H44 S45 E46 F52S43-K48 WeakPolarHBondContact O-CE 3.23Å; S43-K48 PolarHBondContact O-NZ 3.38Å; H44-K48 WeakPolarHBondContact O-CG 3.22Å; H44-K48 PolarHBondContact O-N 3.43Å; H44-K48 VanDerWaalsContact O-N 3.1Å; S45-K48 WeakPolarHBondContact O-CB 3.36Å; S45-K48 PolarHBondContact O-N 2.79Å; E46-K48 PolarHBondContact O-N 2.99Å; K48-F52 WeakPolarHBondContact O-CB 3.4Å; K48-F52 PolarHBondContact O-N 3.39Å
49H90.8Very high91.4Very high98 Ų9849.4 Ų49.445%0.45426%0.258SS..Hα-helixtrans-64.3-50.8175.9177.464.5000111.2S45 E46 T47 K51 F52 V53S45-H49 PolarHBondContact O-N 2.9Å; E46-H49 CarbonylContact O-C 3.5Å; E46-H49 WeakPolarHBondContact O-CA 3.33Å; E46-H49 WeakPolarHBondContact O-CB 3.41Å; E46-H49 PolarHBondContact O-N 3.01Å; T47-H49 VanDerWaalsContact C-N 3.35Å; H49-K51 VanDerWaalsContact C-N 3.33Å; H49-K51 PolarHBondContact O-N 3.38Å; H49-F52 WeakPolarHBondContact O-CA 3.46Å; H49-F52 WeakPolarHBondContact O-CB 3.4Å; H49-F52 PolarHBondContact O-N 2.95Å; H49-V53 VanDerWaalsContact CE1-CG2 3.42Å; H49-V53 WeakPolarHBondContact CE1-CG2 3.35Å; H49-V53 WeakPolarHBondContact O-CG2 3.48Å; H49-V53 PolarHBondContact O-N 3.13Å
50R93.8Very high91.5Very high29 Ų2953.8 Ų53.811%0.10928%0.277CS..Hα-helixtrans-53.4-48.3176.5-63.2178.2-177.4-175.1-5.1112.5I37 E46 F52 V53 L54 E143 D144 F147I37-R50 HydrophobicContact CG2-CB 4.06Å; E46-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 PolarHBondContact O-N 3.33Å; E46-R50 IonicContact OE1-CZ 3.23Å; E46-R50 IonicContact OE1-NE 3.84Å; E46-R50 PolarHBondContact OE1-NE 3.27Å; E46-R50 IonicContact OE1-NH2 2.62Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 3.43Å; R50-V53 PolarHBondContact O-N 3.4Å; R50-L54 WeakPolarHBondContact O-CB 3.1Å; R50-L54 PolarHBondContact O-N 3.21Å; R50-E143 IonicContact NH1-OE1 3.14Å; R50-D144 IonicContact CZ-OD1 2.71Å; R50-D144 IonicContact NH1-OD1 2.64Å; R50-D144 PolarHBondContact NH1-OD1 2.83Å; R50-D144 IonicContact NH2-OD1 3.76Å; R50-D144 PolarHBondContact NH2-OD1 2.67Å; R50-F147 HydrophobicContact CB-CD2 3.86Å; R50-F147 HydrophobicContact CB-CE2 3.87Å; R50-F147 HydrophobicContact CB-CG 4.42Å; R50-F147 HydrophobicContact CB-CZ 4.44Å; R50-F147 HydrophobicContact CG-CD1 3.95Å; R50-F147 HydrophobicContact CG-CD2 3.69Å; R50-F147 HydrophobicContact CG-CE1 3.91Å; R50-F147 HydrophobicContact CG-CE2 3.66Å; R50-F147 HydrophobicContact CG-CG 3.83Å; R50-F147 HydrophobicContact CG-CZ 3.78Å
51K94Very high91.7Very high26 Ų2655.6 Ų55.611%0.11328%0.283CS..Hα-helixtrans-58-43.6173.8-76.4171179.5164.20111.7I37 S40 T47 H49 W55I37-K51 HydrophobicContact CG2-CG 4.23Å; I37-K51 WeakPolarHBondContact O-CE 3.41Å; I37-K51 VanDerWaalsContact O-CG 3.25Å; I37-K51 WeakPolarHBondContact O-CG 3.38Å; S40-K51 PolarHBondContact O-NZ 3.26Å; T47-K51 HydrophobicContact CG2-CD 4.01Å; T47-K51 HydrophobicContact CG2-CG 4.49Å; T47-K51 WeakPolarHBondContact O-CB 3.48Å; T47-K51 VanDerWaalsContact O-CG 3.3Å; T47-K51 WeakPolarHBondContact O-CG 2.93Å; T47-K51 PolarHBondContact O-N 3.17Å; H49-K51 VanDerWaalsContact C-N 3.33Å; H49-K51 PolarHBondContact O-N 3.38Å; K51-W55 PolarHBondContact O-N 2.93Å
52F93.3Very high92Very high99 Ų9951.5 Ų51.543%0.43426%0.257SS..Hα-helixtrans-63.4-49.8-179.2174.3-100.6000111.9K48 H49 R50 L54 W55 Q56K48-F52 WeakPolarHBondContact O-CB 3.4Å; K48-F52 PolarHBondContact O-N 3.39Å; H49-F52 WeakPolarHBondContact O-CA 3.46Å; H49-F52 WeakPolarHBondContact O-CB 3.4Å; H49-F52 PolarHBondContact O-N 2.95Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 3.43Å; F52-L54 VanDerWaalsContact C-N 3.32Å; F52-L54 PolarHBondContact O-N 3.27Å; F52-W55 PolarHBondContact O-N 2.94Å; F52-Q56 HydrophobicContact CD1-CG 4.48Å; F52-Q56 HydrophobicContact CE1-CG 4.1Å; F52-Q56 VanDerWaalsContact CE1-NE2 3.28Å; F52-Q56 HydrophobicContact CE2-CG 4.42Å; F52-Q56 VanDerWaalsContact CZ-CD 3.5Å; F52-Q56 HydrophobicContact CZ-CG 4.07Å; F52-Q56 VanDerWaalsContact CZ-NE2 3.29Å; F52-Q56 WeakPolarHBondContact O-CG 3.33Å; F52-Q56 PolarHBondContact O-N 3.02Å
53V93.7Very high92.2Very high33 Ų3351.2 Ų51.220%0.225%0.254CS..Hα-helixtrans-60.3-43.8178.2179.70000110.6H49 R50 W55 Q56 H57 F150H49-V53 VanDerWaalsContact CE1-CG2 3.42Å; H49-V53 WeakPolarHBondContact CE1-CG2 3.35Å; H49-V53 WeakPolarHBondContact O-CG2 3.48Å; H49-V53 PolarHBondContact O-N 3.13Å; R50-V53 PolarHBondContact O-N 3.4Å; V53-W55 PolarHBondContact O-N 2.69Å; V53-Q56 WeakPolarHBondContact O-CB 3.43Å; V53-Q56 PolarHBondContact O-N 2.96Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; V53-H57 PolarHBondContact O-N 2.84Å; V53-F150 HydrophobicContact CB-CE1 4.48Å; V53-F150 HydrophobicContact CG1-CE1 3.64Å; V53-F150 HydrophobicContact CG1-CZ 3.85Å
54L95Very high92.5Very high0 Ų052.4 Ų52.40%025%0.253CS..Hα-helixtrans-60.2-44.3176.1178.660.6000112.4Y34 I37 I38 R50 F52 Q56 H57 I58 F150Y34-L54 HydrophobicContact CD2-CD1 3.39Å; Y34-L54 HydrophobicContact CD2-CD2 4.25Å; Y34-L54 HydrophobicContact CD2-CG 4.45Å; Y34-L54 HydrophobicContact CE2-CD1 3.73Å; Y34-L54 HydrophobicContact CG-CD1 4.06Å; Y34-L54 HydrophobicContact CG-CD2 4.38Å; I37-L54 HydrophobicContact CB-CD2 3.99Å; I37-L54 HydrophobicContact CG2-CB 4.5Å; I37-L54 HydrophobicContact CG2-CD2 3.76Å; I38-L54 HydrophobicContact CD1-CD2 3.82Å; I38-L54 HydrophobicContact CG1-CD2 3.41Å; I38-L54 VanDerWaalsContact CG1-CD2 3.41Å; R50-L54 WeakPolarHBondContact O-CB 3.1Å; R50-L54 PolarHBondContact O-N 3.21Å; F52-L54 VanDerWaalsContact C-N 3.32Å; F52-L54 PolarHBondContact O-N 3.27Å; L54-Q56 VanDerWaalsContact C-N 3.28Å; L54-Q56 PolarHBondContact O-N 3.3Å; L54-H57 WeakPolarHBondContact O-CB 3.36Å; L54-H57 PolarHBondContact O-N 3.02Å; L54-I58 HydrophobicContact CD1-CD1 4.12Å; L54-I58 HydrophobicContact CD1-CG1 4.29Å; L54-I58 HydrophobicContact CG-CD1 4Å; L54-I58 WeakPolarHBondContact O-CG1 3.29Å; L54-I58 PolarHBondContact O-N 3.48Å; L54-F150 HydrophobicContact CD1-CD2 3.8Å; L54-F150 HydrophobicContact CD1-CE2 3.71Å; L54-F150 HydrophobicContact CD1-CZ 4.49Å
55W95.6Very high92.8Very high7 Ų753.5 Ų53.53%0.02726%0.257CS..Hα-helixtrans-67-29.3176.4-76.1115.9000113V31 I38 K51 F52 V53 I58 S59 P74 L77 R78 W81V31-W55 HydrophobicContact CG2-CH2 3.73Å; V31-W55 HydrophobicContact CG2-CZ3 4.16Å; I38-W55 HydrophobicContact CG2-CZ2 4.35Å; K51-W55 PolarHBondContact O-N 2.93Å; F52-W55 PolarHBondContact O-N 2.94Å; V53-W55 PolarHBondContact O-N 2.69Å; W55-I58 HydrophobicContact CE3-CB 4.4Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CE3-CG2 4.48Å; W55-I58 HydrophobicContact CZ3-CD1 4.05Å; W55-I58 HydrophobicContact CZ3-CG2 4.42Å; W55-S59 WeakPolarHBondContact O-CB 3.42Å; W55-S59 PolarHBondContact O-N 2.94Å; W55-P74 HydrophobicContact CB-CB 3.93Å; W55-L77 HydrophobicContact CE3-CB 3.62Å; W55-L77 HydrophobicContact CZ3-CB 3.79Å; W55-R78 HydrophobicContact CD2-CB 4.07Å; W55-R78 HydrophobicContact CG-CB 4.11Å; W55-W81 HydrophobicContact CH2-CB 3.68Å; W55-W81 AromaticContact CH2-CG 3.97Å; W55-W81 HydrophobicContact CH2-CG 3.97Å; W55-W81 HydrophobicContact CZ2-CB 3.93Å; W55-W81 HydrophobicContact CZ2-CG 4.06Å
56Q94.3Very high92.9Very high86 Ų8652.1 Ų52.140%0.40224%0.242SC..Hα-helixtrans-64.2-46.4170.6-72.8178.3-54.300111.1F52 V53 L54 S59 K60 P74F52-Q56 HydrophobicContact CD1-CG 4.48Å; F52-Q56 HydrophobicContact CE1-CG 4.1Å; F52-Q56 VanDerWaalsContact CE1-NE2 3.28Å; F52-Q56 HydrophobicContact CE2-CG 4.42Å; F52-Q56 VanDerWaalsContact CZ-CD 3.5Å; F52-Q56 HydrophobicContact CZ-CG 4.07Å; F52-Q56 VanDerWaalsContact CZ-NE2 3.29Å; F52-Q56 WeakPolarHBondContact O-CG 3.33Å; F52-Q56 PolarHBondContact O-N 3.02Å; V53-Q56 WeakPolarHBondContact O-CB 3.43Å; V53-Q56 PolarHBondContact O-N 2.96Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; L54-Q56 VanDerWaalsContact C-N 3.28Å; L54-Q56 PolarHBondContact O-N 3.3Å; Q56-S59 WeakPolarHBondContact O-CB 3.21Å; Q56-S59 PolarHBondContact O-N 2.95Å; Q56-K60 PolarHBondContact O-N 2.97Å; Q56-P74 HydrophobicContact CB-CG 4.33Å; Q56-P74 HydrophobicContact CG-CB 4.19Å; Q56-P74 HydrophobicContact CG-CG 3.76Å
57H94Very high92.8Very high24 Ų2452.6 Ų52.611%0.11125%0.251CS..Hα-helixtrans-59.1-50.3176.1-173.750.3000112.4V53 L54 S59 K60 K61 F150 T154V53-H57 PolarHBondContact O-N 2.84Å; L54-H57 WeakPolarHBondContact O-CB 3.36Å; L54-H57 PolarHBondContact O-N 3.02Å; H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 3.25Å; H57-K60 PolarHBondContact O-N 3.3Å; H57-K60 VanDerWaalsContact O-N 3.14Å; H57-K61 VanDerWaalsContact CE1-CE 3.45Å; H57-K61 WeakPolarHBondContact CE1-CE 3.33Å; H57-K61 WeakPolarHBondContact NE2-CE 3.27Å; H57-K61 PolarHBondContact NE2-NZ 3.34Å; H57-K61 VanDerWaalsContact NE2-NZ 3.17Å; H57-K61 PolarHBondContact O-N 2.82Å; H57-F150 HydrophobicContact CB-CE2 3.71Å; H57-F150 HydrophobicContact CB-CZ 3.93Å; H57-F150 AromaticContact CD2-CE2 3.53Å; H57-F150 AromaticContact CG-CE2 3.82Å; H57-T154 VanDerWaalsContact CE1-CG2 3.46Å; H57-T154 WeakPolarHBondContact CE1-CG2 3.09Å; H57-T154 WeakPolarHBondContact NE2-CG2 3.41Å
58I94.6Very high92.6Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-60.7-38.7179.2-63.5170.3000110.8L27 E30 V31 I38 L54 W55 K61 L62 L77L27-I58 HydrophobicContact CD2-CG2 3.76Å; E30-I58 HydrophobicContact CB-CG1 4.23Å; E30-I58 HydrophobicContact CB-CG2 4.34Å; V31-I58 HydrophobicContact CG2-CD1 4.46Å; I38-I58 HydrophobicContact CD1-CD1 4.41Å; L54-I58 HydrophobicContact CD1-CD1 4.12Å; L54-I58 HydrophobicContact CD1-CG1 4.29Å; L54-I58 HydrophobicContact CG-CD1 4Å; L54-I58 WeakPolarHBondContact O-CG1 3.29Å; L54-I58 PolarHBondContact O-N 3.48Å; W55-I58 HydrophobicContact CE3-CB 4.4Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CE3-CG2 4.48Å; W55-I58 HydrophobicContact CZ3-CD1 4.05Å; W55-I58 HydrophobicContact CZ3-CG2 4.42Å; I58-K61 PolarHBondContact O-N 2.92Å; I58-L62 VanDerWaalsContact O-CB 3.3Å; I58-L62 WeakPolarHBondContact O-CB 3.33Å; I58-L62 PolarHBondContact O-N 3.13Å; I58-L77 HydrophobicContact CG2-CD1 4.06Å
59S94Very high92.2Very high23 Ų2355.7 Ų55.716%0.16128%0.276CS..Hα-helixtrans-61.7-46.2175.61760000111.9W55 Q56 H57 L62 Q63 K72W55-S59 WeakPolarHBondContact O-CB 3.42Å; W55-S59 PolarHBondContact O-N 2.94Å; Q56-S59 WeakPolarHBondContact O-CB 3.21Å; Q56-S59 PolarHBondContact O-N 2.95Å; H57-S59 VanDerWaalsContact C-N 3.26Å; H57-S59 PolarHBondContact O-N 3.25Å; S59-L62 PolarHBondContact O-N 3Å; S59-Q63 PolarHBondContact O-N 3.04Å; S59-Q63 VanDerWaalsContact O-N 3.1Å; S59-K72 PolarHBondContact OG-O 2.7Å
60K93.5Very high92Very high114 Ų11453 Ų5350%0.49627%0.268SS..Hα-helixtrans-62.5-48.8175.9-172-178.8178.6-172.50111.4Q56 H57 L62 Q63 N64Q56-K60 PolarHBondContact O-N 2.97Å; H57-K60 PolarHBondContact O-N 3.3Å; H57-K60 VanDerWaalsContact O-N 3.14Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 3.47Å; K60-Q63 PolarHBondContact O-N 2.82Å; K60-N64 VanDerWaalsContact O-CG 3.29Å; K60-N64 PolarHBondContact O-N 3.15Å; K60-N64 PolarHBondContact O-OD1 3.09Å
61K94Very high91.6Very high44 Ų4458 Ų5819%0.19130%0.296CS..Hα-helixtrans-61.6-38.7178.2-74-178.3152.1171.90113F26 E30 H57 I58 Q63 N64 K65F26-K61 HydrophobicContact CE1-CB 4.48Å; F26-K61 HydrophobicContact CZ-CB 3.89Å; E30-K61 VanDerWaalsContact OE2-CD 3.26Å; E30-K61 WeakPolarHBondContact OE2-CD 3.43Å; E30-K61 IonicContact OE2-NZ 2.93Å; E30-K61 PolarHBondContact OE2-NZ 3.25Å; H57-K61 VanDerWaalsContact CE1-CE 3.45Å; H57-K61 WeakPolarHBondContact CE1-CE 3.33Å; H57-K61 WeakPolarHBondContact NE2-CE 3.27Å; H57-K61 PolarHBondContact NE2-NZ 3.34Å; H57-K61 VanDerWaalsContact NE2-NZ 3.17Å; H57-K61 PolarHBondContact O-N 2.82Å; I58-K61 PolarHBondContact O-N 2.92Å; K61-Q63 VanDerWaalsContact C-N 3.35Å; K61-N64 PolarHBondContact O-N 3.37Å; K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 PolarHBondContact O-N 2.97Å
62L93.6Very high91.3Very high2 Ų257.4 Ų57.41%0.0129%0.293CS..Hα-helixtrans-61.5-45.7175.1-176.874.9000110.9E23 F26 L27 I58 S59 K60 N64 K65 F66 K72 L77E23-L62 HydrophobicContact CB-CD1 4.37Å; E23-L62 HydrophobicContact CG-CD1 4.31Å; F26-L62 HydrophobicContact CD1-CB 4.48Å; F26-L62 HydrophobicContact CD1-CD1 3.52Å; F26-L62 HydrophobicContact CE1-CB 3.97Å; F26-L62 HydrophobicContact CE1-CD1 3.89Å; L27-L62 HydrophobicContact CD2-CD1 4.19Å; L27-L62 HydrophobicContact CD2-CD2 4.29Å; L27-L62 HydrophobicContact CG-CD1 4.14Å; I58-L62 VanDerWaalsContact O-CB 3.3Å; I58-L62 WeakPolarHBondContact O-CB 3.33Å; I58-L62 PolarHBondContact O-N 3.13Å; S59-L62 PolarHBondContact O-N 3Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 3.47Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.89Å; L62-K65 PolarHBondContact O-N 3.02Å; L62-F66 HydrophobicContact CD1-CD2 3.71Å; L62-F66 HydrophobicContact CD1-CE2 4.03Å; L62-F66 HydrophobicContact CG-CD2 4.45Å; L62-F66 PolarHBondContact O-N 2.81Å; L62-K72 HydrophobicContact CD2-CB 4.01Å; L62-K72 HydrophobicContact CD2-CG 3.88Å; L62-L77 HydrophobicContact CD2-CD1 4.42Å; L62-L77 HydrophobicContact CD2-CD2 3.96Å
63Q91.1Very high91.2Very high47 Ų4755.1 Ų55.122%0.2229%0.289CS..Hα-helixtrans-64.1-40.2178.7-172.959.231.800111.8S59 K60 K61 F66 P67 L71S59-Q63 PolarHBondContact O-N 3.04Å; S59-Q63 VanDerWaalsContact O-N 3.1Å; K60-Q63 PolarHBondContact O-N 2.82Å; K61-Q63 VanDerWaalsContact C-N 3.35Å; Q63-F66 CarbonylContact O-C 3.31Å; Q63-F66 VanDerWaalsContact O-C 3.31Å; Q63-P67 PolarHBondContact NE2-O 2.72Å; Q63-P67 VanDerWaalsContact O-CA 3.3Å; Q63-P67 WeakPolarHBondContact O-CA 3.41Å; Q63-L71 HydrophobicContact CG-CD2 3.69Å
64N91.9Very high91.1Very high115 Ų11554.9 Ų54.962%0.61529%0.288SS*.Hα-helixtrans-65.6-39.7177.2-68.1-0.3000111.9K60 K61 L62K60-N64 VanDerWaalsContact O-CG 3.29Å; K60-N64 PolarHBondContact O-N 3.15Å; K60-N64 PolarHBondContact O-OD1 3.09Å; K61-N64 PolarHBondContact O-N 3.37Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.89Å
65K92Very high90.9Very high110 Ų11058.8 Ų58.848%0.47831%0.312SS..Hα-helixtrans-76.6-29.9-179.7-166.9171.8-174.2173.70113F26 K61 L62F26-K65 HydrophobicContact CB-CD 4.39Å; F26-K65 HydrophobicContact CD1-CD 4.36Å; F26-K65 HydrophobicContact CD2-CD 3.29Å; F26-K65 HydrophobicContact CE2-CD 3.46Å; F26-K65 VanDerWaalsContact CE2-CD 3.46Å; F26-K65 HydrophobicContact CG-CD 3.74Å; F26-K65 HydrophobicContact CZ-CD 4.09Å; K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 PolarHBondContact O-N 2.97Å; L62-K65 PolarHBondContact O-N 3.02Å
66F91.4Very high90.8Very high41 Ų4162.8 Ų62.818%0.1833%0.331CS..  trans-131.470.7-178.9-54.8-79.4000110.7K22 E23 F26 L62 Q63 D68 S69K22-F66 HydrophobicContact CB-CE1 3.92Å; K22-F66 HydrophobicContact CB-CZ 4.05Å; E23-F66 HydrophobicContact CG-CD1 4.37Å; E23-F66 HydrophobicContact CG-CD2 3.94Å; E23-F66 HydrophobicContact CG-CE2 4.14Å; E23-F66 HydrophobicContact CG-CG 4.06Å; E23-F66 HydrophobicContact CG-CZ 4.45Å; F26-F66 HydrophobicContact CB-CE2 3.85Å; F26-F66 HydrophobicContact CB-CZ 4.22Å; F26-F66 AromaticContact CD1-CE2 3.99Å; F26-F66 HydrophobicContact CD1-CE2 3.99Å; F26-F66 AromaticContact CG-CE2 3.96Å; F26-F66 HydrophobicContact CG-CE2 3.96Å; L62-F66 HydrophobicContact CD1-CD2 3.71Å; L62-F66 HydrophobicContact CD1-CE2 4.03Å; L62-F66 HydrophobicContact CG-CD2 4.45Å; L62-F66 PolarHBondContact O-N 2.81Å; Q63-F66 CarbonylContact O-C 3.31Å; Q63-F66 VanDerWaalsContact O-C 3.31Å; F66-D68 PolarHBondContact O-N 3.04Å; F66-S69 VanDerWaalsContact O-CB 3.29Å; F66-S69 WeakPolarHBondContact O-CB 3.03Å; F66-S69 PolarHBondContact O-N 3.21Å; F66-S69 PolarHBondContact O-OG 3.09Å
67P87.1Confident90.7Very high84 Ų8458.7 Ų58.755%0.54531%0.312SS..THydrogen-bonded Turntrans-63.7-30.4-175.525-34.4000112.9Q63 S69Q63-P67 PolarHBondContact NE2-O 2.72Å; Q63-P67 VanDerWaalsContact O-CA 3.3Å; Q63-P67 WeakPolarHBondContact O-CA 3.41Å; P67-S69 PolarHBondContact O-N 3.08Å
68D85.2Confident90.7Very high167 Ų16762.4 Ų62.489%0.89333%0.325SS*.THydrogen-bonded Turntrans-76-9.2177.6-57.1-37.6000113.5F66F66-D68 PolarHBondContact O-N 3.04Å
69S84.4Confident90.6Very high21 Ų2165.2 Ų65.215%0.14734%0.34CS..SBendtrans-78.7161.8179.877.10000111.5E23 F66 P67 L71E23-S69 WeakPolarHBondContact OE1-CB 3.21Å; F66-S69 VanDerWaalsContact O-CB 3.29Å; F66-S69 WeakPolarHBondContact O-CB 3.03Å; F66-S69 PolarHBondContact O-N 3.21Å; F66-S69 PolarHBondContact O-OG 3.09Å; P67-S69 PolarHBondContact O-N 3.08Å; S69-L71 PolarHBondContact O-N 2.52Å
70S84.8Confident90.5Very high41 Ų4165.2 Ų65.229%0.28734%0.337SS..PPolyproline II helixtrans-66.5130.8171.766.50000110.2S16 K72S16-S70 WeakPolarHBondContact O-CB 3.26Å; S16-S70 PolarHBondContact O-OG 3.11Å; S70-K72 WeakPolarHBondContact O-CG 3.31Å; S70-K72 PolarHBondContact O-N 3.4Å; S70-K72 VanDerWaalsContact O-N 3.17Å; S70-K72 VanDerWaalsContact OG-CE 3.28Å; S70-K72 WeakPolarHBondContact OG-CE 3.43Å; S70-K72 PolarHBondContact OG-NZ 3.02Å
71L86.3Confident90.5Very high133 Ų13360 Ų6070%0.69631%0.314SS*.PPolyproline II helixtrans-49.1122.2171.4-73.2161.4000111.1Q63 S69Q63-L71 HydrophobicContact CG-CD2 3.69Å; S69-L71 PolarHBondContact O-N 2.52Å
72K88.2Confident90.4Very high15 Ų1562.8 Ų62.87%0.06533%0.326CS..  trans-108117175.3-59.1-55.5-169.1-163.60109.6S16 Y19 S59 L62 S70 L77S16-K72 PolarHBondContact O-NZ 2.76Å; Y19-K72 HydrophobicContact CE1-CD 4.19Å; Y19-K72 HydrophobicContact CE1-CG 3.96Å; S59-K72 PolarHBondContact OG-O 2.7Å; L62-K72 HydrophobicContact CD2-CB 4.01Å; L62-K72 HydrophobicContact CD2-CG 3.88Å; S70-K72 WeakPolarHBondContact O-CG 3.31Å; S70-K72 PolarHBondContact O-N 3.4Å; S70-K72 VanDerWaalsContact O-N 3.17Å; S70-K72 VanDerWaalsContact OG-CE 3.28Å; S70-K72 WeakPolarHBondContact OG-CE 3.43Å; S70-K72 PolarHBondContact OG-NZ 3.02Å; K72-L77 HydrophobicContact CB-CD2 3.64Å; K72-L77 HydrophobicContact CB-CG 4.02Å; K72-L77 HydrophobicContact CG-CD2 4.14Å
73S90.4Very high90.3Very high50 Ų5069.5 Ų69.535%0.3535%0.351SS..  trans-68.2155.2177.179.40000111.6V75 Q76 L77S73-V75 PolarHBondContact O-N 3.23Å; S73-V75 VanDerWaalsContact O-N 3.13Å; S73-Q76 WeakPolarHBondContact O-CA 3.44Å; S73-Q76 WeakPolarHBondContact O-CB 3.4Å; S73-Q76 PolarHBondContact O-N 2.71Å; S73-Q76 WeakPolarHBondContact OG-CG 3.27Å; S73-Q76 PolarHBondContact OG-N 3.36Å; S73-L77 PolarHBondContact O-N 2.81Å
74P91.6Very high90.3Very high28 Ų2867.8 Ų67.818%0.18234%0.344CS..Hα-helixtrans-53.3-37.5176.4-27.335.5000112.5W55 Q56 L77 R78W55-P74 HydrophobicContact CB-CB 3.93Å; Q56-P74 HydrophobicContact CB-CG 4.33Å; Q56-P74 HydrophobicContact CG-CB 4.19Å; Q56-P74 HydrophobicContact CG-CG 3.76Å; P74-L77 PolarHBondContact O-N 3.49Å; P74-R78 WeakPolarHBondContact O-CB 3.19Å; P74-R78 PolarHBondContact O-N 3.41Å
75V91.6Very high90.2Very high83 Ų8364 Ų6450%0.50332%0.322SS..Hα-helixtrans-67.5-39.9177.2-1800000111.5S73 N79S73-V75 PolarHBondContact O-N 3.23Å; S73-V75 VanDerWaalsContact O-N 3.13Å; V75-N79 WeakPolarHBondContact O-CB 3.41Å; V75-N79 PolarHBondContact O-N 3.48Å; V75-N79 PolarHBondContact O-ND2 2.92Å
76Q92.3Very high90.1Very high91 Ų9161.9 Ų61.943%0.42532%0.321SS..Hα-helixtrans-65.1-41.7176.6-74.8172.3-34.300111.8S73 N79 W80S73-Q76 WeakPolarHBondContact O-CA 3.44Å; S73-Q76 WeakPolarHBondContact O-CB 3.4Å; S73-Q76 PolarHBondContact O-N 2.71Å; S73-Q76 WeakPolarHBondContact OG-CG 3.27Å; S73-Q76 PolarHBondContact OG-N 3.36Å; Q76-N79 PolarHBondContact O-N 3.23Å; Q76-W80 WeakPolarHBondContact O-CB 3.46Å; Q76-W80 PolarHBondContact O-N 3.12Å
77L93.4Very high89.9Confident0 Ų066.6 Ų66.60%034%0.338CS..Hα-helixtrans-64.7-47176.8-64.1-175.2000111.6Y19 L27 W55 I58 L62 K72 S73 P74 N79 W80 W81Y19-L77 HydrophobicContact CE1-CD2 3.84Å; L27-L77 HydrophobicContact CD1-CD2 4.11Å; L27-L77 HydrophobicContact CD2-CD1 4.18Å; L27-L77 HydrophobicContact CD2-CD2 3.93Å; W55-L77 HydrophobicContact CE3-CB 3.62Å; W55-L77 HydrophobicContact CZ3-CB 3.79Å; I58-L77 HydrophobicContact CG2-CD1 4.06Å; L62-L77 HydrophobicContact CD2-CD1 4.42Å; L62-L77 HydrophobicContact CD2-CD2 3.96Å; K72-L77 HydrophobicContact CB-CD2 3.64Å; K72-L77 HydrophobicContact CB-CG 4.02Å; K72-L77 HydrophobicContact CG-CD2 4.14Å; S73-L77 PolarHBondContact O-N 2.81Å; P74-L77 PolarHBondContact O-N 3.49Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 2.96Å; L77-W80 WeakPolarHBondContact O-CB 3.34Å; L77-W80 PolarHBondContact O-N 3.41Å; L77-W80 VanDerWaalsContact O-N 3.15Å; L77-W81 PolarHBondContact O-N 2.99Å
78R92.8Very high90Very high101 Ų10162.6 Ų62.638%0.38131%0.312SS..Hα-helixtrans-57.3-43.2174.5-175.3-179.5-178.5-157.52.7112.1W55 P74 W81 K82W55-R78 HydrophobicContact CD2-CB 4.07Å; W55-R78 HydrophobicContact CG-CB 4.11Å; P74-R78 WeakPolarHBondContact O-CB 3.19Å; P74-R78 PolarHBondContact O-N 3.41Å; R78-W81 PolarHBondContact O-N 3.35Å; R78-K82 WeakPolarHBondContact O-CG 3.38Å; R78-K82 PolarHBondContact O-N 3.48Å; R78-K82 VanDerWaalsContact O-N 3.08Å
79N92.7Very high90Very high60 Ų6061 Ų6132%0.32130%0.297SS..Hα-helixtrans-69.3-38.1178-74.7-23.1000112.2V75 Q76 L77 K82 R83V75-N79 WeakPolarHBondContact O-CB 3.41Å; V75-N79 PolarHBondContact O-N 3.48Å; V75-N79 PolarHBondContact O-ND2 2.92Å; Q76-N79 PolarHBondContact O-N 3.23Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 2.96Å; N79-K82 PolarHBondContact O-N 3.36Å; N79-R83 VanDerWaalsContact O-CG 3.31Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 3.44Å
80W91.8Very high89.9Confident22 Ų2265.5 Ų65.58%0.08332%0.315CS..Hα-helixtrans-57.9-50.8171.6162.683.2000110.5Y19 L24 L27 Q76 L77 K82 R83 T84Y19-W80 AromaticContact CD2-CD1 3.53Å; Y19-W80 HydrophobicContact CD2-CG 4.24Å; Y19-W80 AromaticContact CD2-NE1 3.83Å; Y19-W80 HydrophobicContact CE2-CB 3.87Å; Y19-W80 AromaticContact CE2-CD1 3.25Å; Y19-W80 HydrophobicContact CE2-CD2 4.48Å; Y19-W80 AromaticContact CE2-CG 3.6Å; Y19-W80 HydrophobicContact CE2-CG 3.6Å; Y19-W80 AromaticContact CE2-NE1 3.97Å; Y19-W80 AromaticContact CZ-CD1 3.91Å; Y19-W80 AromaticContact CZ-CG 3.8Å; L24-W80 VanDerWaalsContact CD2-CE2 3.47Å; L24-W80 HydrophobicContact CD2-CH2 4.46Å; L24-W80 HydrophobicContact CD2-CZ2 3.32Å; L27-W80 HydrophobicContact CB-CH2 3.61Å; L27-W80 HydrophobicContact CB-CZ2 4.44Å; L27-W80 HydrophobicContact CB-CZ3 3.75Å; L27-W80 HydrophobicContact CD1-CD2 4.32Å; L27-W80 HydrophobicContact CD1-CE3 4.07Å; L27-W80 HydrophobicContact CD1-CH2 4.04Å; L27-W80 HydrophobicContact CD1-CZ2 4.28Å; L27-W80 HydrophobicContact CD1-CZ3 3.92Å; L27-W80 HydrophobicContact CG-CH2 4.46Å; L27-W80 HydrophobicContact CG-CZ3 4.34Å; Q76-W80 WeakPolarHBondContact O-CB 3.46Å; Q76-W80 PolarHBondContact O-N 3.12Å; L77-W80 WeakPolarHBondContact O-CB 3.34Å; L77-W80 PolarHBondContact O-N 3.41Å; L77-W80 VanDerWaalsContact O-N 3.15Å; W80-K82 PolarHBondContact O-N 2.89Å; W80-R83 PolarHBondContact O-N 3.18Å; W80-R83 VanDerWaalsContact O-N 3.12Å; W80-T84 PolarHBondContact NE1-OG1 3.4Å; W80-T84 WeakPolarHBondContact O-CB 2.84Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å
81W94.3Very high89.6Confident5 Ų568.8 Ų68.82%0.01932%0.322CS..Hα-helixtrans-56.6-49179.6-180-115.7000111.9L28 V31 E39 W55 L77 R78 R83 T84 K85 V127 F130L28-W81 HydrophobicContact CD1-CH2 4.07Å; L28-W81 HydrophobicContact CD1-CZ3 3.91Å; V31-W81 HydrophobicContact CB-CZ3 4.42Å; V31-W81 HydrophobicContact CG1-CD2 4.19Å; V31-W81 HydrophobicContact CG1-CE3 4.14Å; V31-W81 HydrophobicContact CG1-CH2 3.52Å; V31-W81 HydrophobicContact CG1-CZ2 3.6Å; V31-W81 HydrophobicContact CG1-CZ3 3.79Å; V31-W81 HydrophobicContact CG2-CE3 4.32Å; E39-W81 PolarHBondContact OE1-NE1 3.29Å; W55-W81 HydrophobicContact CH2-CB 3.68Å; W55-W81 AromaticContact CH2-CG 3.97Å; W55-W81 HydrophobicContact CH2-CG 3.97Å; W55-W81 HydrophobicContact CZ2-CB 3.93Å; W55-W81 HydrophobicContact CZ2-CG 4.06Å; L77-W81 PolarHBondContact O-N 2.99Å; R78-W81 PolarHBondContact O-N 3.35Å; W81-R83 PolarHBondContact O-N 3.42Å; W81-T84 PolarHBondContact O-N 3.04Å; W81-K85 HydrophobicContact CD2-CG 4.36Å; W81-K85 HydrophobicContact CZ2-CD 4.01Å; W81-K85 HydrophobicContact CZ2-CG 4.07Å; W81-K85 WeakPolarHBondContact O-CG 3.41Å; W81-K85 PolarHBondContact O-N 3.04Å; W81-V127 HydrophobicContact CH2-CB 4.35Å; W81-V127 HydrophobicContact CH2-CG1 3.95Å; W81-V127 HydrophobicContact CH2-CG2 3.79Å; W81-V127 HydrophobicContact CZ2-CG1 4.38Å; W81-V127 HydrophobicContact CZ3-CG1 4.38Å; W81-V127 HydrophobicContact CZ3-CG2 3.73Å; W81-F130 HydrophobicContact CH2-CD1 4.04Å; W81-F130 HydrophobicContact CH2-CE1 4.13Å; W81-F130 AromaticContact CZ2-CD1 3.79Å; W81-F130 HydrophobicContact CZ2-CD1 3.79Å; W81-F130 AromaticContact CZ2-CE1 3.6Å; W81-F130 HydrophobicContact CZ2-CE1 3.6Å
82K92.1Very high88.8Confident103 Ų10365.8 Ų65.845%0.44831%0.306SS..Hα-helixtrans-55.6-46.4175.4-75-178.4175.8-173.90112.7R78 N79 W80 S86R78-K82 WeakPolarHBondContact O-CG 3.38Å; R78-K82 PolarHBondContact O-N 3.48Å; R78-K82 VanDerWaalsContact O-N 3.08Å; N79-K82 PolarHBondContact O-N 3.36Å; W80-K82 PolarHBondContact O-N 2.89Å; K82-S86 PolarHBondContact O-N 3.01Å
83R91.2Very high88.1Confident142 Ų14269.1 Ų69.154%0.53633%0.331SS..Hα-helixtrans-66.8-40.2178.6-69.3178.1-157.4134.2-3.8111.6N79 W80 W81 S86 R87N79-R83 VanDerWaalsContact O-CG 3.31Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 3.44Å; W80-R83 PolarHBondContact O-N 3.18Å; W80-R83 VanDerWaalsContact O-N 3.12Å; W81-R83 PolarHBondContact O-N 3.42Å; R83-S86 PolarHBondContact O-N 2.91Å; R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 VanDerWaalsContact O-CG 3.27Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.2Å
84T90.5Very high86.6Confident11 Ų1171.7 Ų71.77%0.06735%0.348CS..Hα-helixtrans-61.4-47.2177.4-63.70000110.5W80 W81 S86 R87 A88 F124 V127W80-T84 PolarHBondContact NE1-OG1 3.4Å; W80-T84 WeakPolarHBondContact O-CB 2.84Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å; W81-T84 PolarHBondContact O-N 3.04Å; T84-S86 PolarHBondContact O-N 2.91Å; T84-R87 PolarHBondContact O-N 3.25Å; T84-A88 VanDerWaalsContact O-CB 3.29Å; T84-A88 WeakPolarHBondContact O-CB 3.36Å; T84-A88 PolarHBondContact O-N 3.08Å; T84-F124 HydrophobicContact CG2-CD1 4.23Å; T84-F124 HydrophobicContact CG2-CE1 4Å; T84-V127 HydrophobicContact CG2-CG2 4.17Å
85K90.4Very high84.5Confident37 Ų3772.3 Ų72.316%0.16136%0.359CS..Hα-helixtrans-57.1-47.7172.7-71.3-166.3-60.2-175.90112.9E39 W81 R87 A88 K89 V127E39-K85 WeakPolarHBondContact OE1-CD 3.46Å; E39-K85 WeakPolarHBondContact OE1-CE 3.45Å; E39-K85 IonicContact OE1-NZ 3.34Å; E39-K85 PolarHBondContact OE1-NZ 2.88Å; E39-K85 IonicContact OE2-NZ 3.66Å; E39-K85 PolarHBondContact OE2-NZ 3.14Å; W81-K85 HydrophobicContact CD2-CG 4.36Å; W81-K85 HydrophobicContact CZ2-CD 4.01Å; W81-K85 HydrophobicContact CZ2-CG 4.07Å; W81-K85 WeakPolarHBondContact O-CG 3.41Å; W81-K85 PolarHBondContact O-N 3.04Å; K85-R87 VanDerWaalsContact C-N 3.33Å; K85-R87 PolarHBondContact O-N 3.5Å; K85-A88 PolarHBondContact O-N 3.38Å; K85-K89 PolarHBondContact O-N 2.87Å; K85-V127 HydrophobicContact CB-CG1 4.45Å; K85-V127 HydrophobicContact CG-CG1 3.74Å
86S89Confident82.1Confident65 Ų6574.4 Ų74.446%0.45538%0.375SS..Hα-helixtrans-60.4-44.1179.1-172.10000111.8K82 R83 T84 Q90K82-S86 PolarHBondContact O-N 3.01Å; R83-S86 PolarHBondContact O-N 2.91Å; T84-S86 PolarHBondContact O-N 2.91Å; S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 3.32Å; S86-Q90 VanDerWaalsContact O-N 3.09Å
87R88.6Confident79.8Confident140 Ų14072.7 Ų72.753%0.52837%0.372SS..Hα-helixtrans-68.7-40.1179-73173.1176.9-174.2-0.3112.2R83 T84 K85 Q90 R91 F124R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 VanDerWaalsContact O-CG 3.27Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.2Å; T84-R87 PolarHBondContact O-N 3.25Å; K85-R87 VanDerWaalsContact C-N 3.33Å; K85-R87 PolarHBondContact O-N 3.5Å; R87-Q90 PolarHBondContact O-N 3.04Å; R87-R91 WeakPolarHBondContact O-CB 3.39Å; R87-R91 WeakPolarHBondContact O-CG 3.37Å; R87-R91 PolarHBondContact O-N 2.9Å; R87-F124 HydrophobicContact CB-CE2 4.1Å; R87-F124 HydrophobicContact CB-CZ 4.03Å
88A87.5Confident77.2Confident0 Ų077 Ų770%040%0.398CS..Hα-helixtrans-61.7-47.6176.800000110.7T84 K85 Q90 R91 L92 F124 V127 C128T84-A88 VanDerWaalsContact O-CB 3.29Å; T84-A88 WeakPolarHBondContact O-CB 3.36Å; T84-A88 PolarHBondContact O-N 3.08Å; K85-A88 PolarHBondContact O-N 3.38Å; A88-Q90 PolarHBondContact O-N 3.2Å; A88-R91 PolarHBondContact O-N 2.89Å; A88-L92 WeakPolarHBondContact O-CG 3.41Å; A88-L92 PolarHBondContact O-N 3.46Å; A88-F124 HydrophobicContact CB-CB 3.7Å; A88-F124 HydrophobicContact CB-CD1 4.15Å; A88-F124 HydrophobicContact CB-CD2 4.33Å; A88-F124 HydrophobicContact CB-CG 3.83Å; A88-V127 HydrophobicContact CB-CB 4.5Å; A88-V127 HydrophobicContact CB-CG1 4.31Å; A88-C128 VanDerWaalsContact CB-SG 3.57Å
89K85.2Confident74.9Confident132 Ų13278.4 Ų78.457%0.57441%0.411SS*.Hα-helixtrans-56.7-50175-174.1178.7178.2-177.90111.6K85 R91 L92 S93K85-K89 PolarHBondContact O-N 2.87Å; K89-R91 PolarHBondContact O-N 3.31Å; K89-L92 PolarHBondContact O-N 3.02Å; K89-S93 WeakPolarHBondContact O-CB 3.4Å; K89-S93 PolarHBondContact O-N 3.43Å; K89-S93 PolarHBondContact O-OG 3.05Å
90Q83.3Confident72.2Confident116 Ų11683 Ų8354%0.54243%0.431SS..Hα-helixtrans-59.8-44.5179.3-75.8174.7-18.100112.7S86 R87 A88 L92 S93 C94S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 3.32Å; S86-Q90 VanDerWaalsContact O-N 3.09Å; R87-Q90 PolarHBondContact O-N 3.04Å; A88-Q90 PolarHBondContact O-N 3.2Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 2.88Å; Q90-S93 WeakPolarHBondContact CA-OG 3.43Å; Q90-S93 PolarHBondContact O-N 3.15Å; Q90-S93 PolarHBondContact O-OG 2.82Å; Q90-C94 WeakPolarHBondContact O-CB 3.24Å; Q90-C94 PolarHBondContact O-N 3.36Å; Q90-C94 VanDerWaalsContact O-N 3.09Å; Q90-C94 PolarHBondContact O-SG 3.12Å
91R78.8Confident69.6Low111 Ų11191 Ų9142%0.41947%0.466SS..Hα-helixtrans-70.8-28.9-178-72.4-160.2-171.41570.9113.6R87 A88 K89 F124R87-R91 WeakPolarHBondContact O-CB 3.39Å; R87-R91 WeakPolarHBondContact O-CG 3.37Å; R87-R91 PolarHBondContact O-N 2.9Å; A88-R91 PolarHBondContact O-N 2.89Å; K89-R91 PolarHBondContact O-N 3.31Å; R91-F124 HydrophobicContact CB-CD2 4.36Å; R91-F124 HydrophobicContact CG-CD2 4.35Å; R91-F124 HydrophobicContact CG-CE2 4.29Å; R91-F124 VanDerWaalsContact CZ-CE2 3.41Å
92L69.6Low66.8Low70 Ų7093.2 Ų93.237%0.36648%0.481SS..Hα-helixtrans-87.7-25176.4-63.1-177000112.8A88 K89 Q90 C128A88-L92 WeakPolarHBondContact O-CG 3.41Å; A88-L92 PolarHBondContact O-N 3.46Å; K89-L92 PolarHBondContact O-N 3.02Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 2.88Å; L92-C128 HydrophobicContact CD1-CB 3.55Å; L92-C128 WeakPolarHBondContact CD1-SG 3.39Å
93S72.7Confident63.9Low85 Ų8596.7 Ų96.759%0.59450%0.496SS*.Hα-helixtrans-75.6-30172.659.60000112.9K89 Q90 G95K89-S93 WeakPolarHBondContact O-CB 3.4Å; K89-S93 PolarHBondContact O-N 3.43Å; K89-S93 PolarHBondContact O-OG 3.05Å; Q90-S93 WeakPolarHBondContact CA-OG 3.43Å; Q90-S93 PolarHBondContact O-N 3.15Å; Q90-S93 PolarHBondContact O-OG 2.82Å; S93-G95 VanDerWaalsContact C-N 3.31Å; S93-G95 PolarHBondContact O-N 3.44Å
94C58.5Low61.4Low103 Ų10395.1 Ų95.170%0.69649%0.494SS*.SBendtrans-79.978178.2-69.50000111.3Q90Q90-C94 WeakPolarHBondContact O-CB 3.24Å; Q90-C94 PolarHBondContact O-N 3.36Å; Q90-C94 VanDerWaalsContact O-N 3.09Å; Q90-C94 PolarHBondContact O-SG 3.12Å
95G47.2Very low58.6Low41 Ų4198 Ų9842%0.42352%0.518SS..SBendtrans80.4163.5163.800000115.1S93 C97S93-G95 VanDerWaalsContact C-N 3.31Å; S93-G95 PolarHBondContact O-N 3.44Å; G95-C97 VanDerWaalsContact C-N 3.3Å; G95-C97 PolarHBondContact O-N 3.49Å
96P42.5Very low56.2Low128 Ų128105.4 Ų105.483%0.83155%0.554SS**  trans-6397.2177.626.4-31.2000107.7T98P96-T98 VanDerWaalsContact C-N 3.27Å; P96-T98 PolarHBondContact O-N 3.14Å
97C43Very low53.9Low55 Ų55110.2 Ų110.237%0.37258%0.575SS.*  trans-54.7105.4158.9-114.80000104.3G95 M99G95-C97 VanDerWaalsContact C-N 3.3Å; G95-C97 PolarHBondContact O-N 3.49Å; C97-M99 PolarHBondContact O-N 2.93Å
98T39.9Very low51.2Low90 Ų90105.1 Ų105.155%0.55257%0.566SS**  trans-53.597.2172.436.10000107P96 E100P96-T98 VanDerWaalsContact C-N 3.27Å; P96-T98 PolarHBondContact O-N 3.14Å; T98-E100 PolarHBondContact O-N 2.92Å
99M43.7Very low48.9Very low131 Ų131113.3 Ų113.365%0.64561%0.607SS**G310 helixtrans-65.3-17.7172.8-77-73.3-120.800109.5C97 K101 C102C97-M99 PolarHBondContact O-N 2.93Å; M99-K101 PolarHBondContact O-N 3.01Å; M99-K101 VanDerWaalsContact O-N 3.15Å; M99-C102 CarbonylContact O-C 3.59Å; M99-C102 PolarHBondContact O-N 3.45Å
100E36.4Very low46.7Very low156 Ų156109.1 Ų109.173%0.72960%0.602SS**G310 helixtrans-59.4-25179-80.7-167.6134.200115.3T98T98-E100 PolarHBondContact O-N 2.92Å
101K36.7Very low44.6Very low191 Ų191112.1 Ų112.183%0.8362%0.616SS**G310 helixtrans-93-0.7174.2-70.4-168.7179-176.70114.3M99M99-K101 PolarHBondContact O-N 3.01Å; M99-K101 VanDerWaalsContact O-N 3.15Å
102C36.1Very low43.2Very low50 Ų50108.7 Ų108.734%0.33861%0.607SS.*G310 helixtrans-113.349.8166.1-67.80000109.2M99 F104M99-C102 CarbonylContact O-C 3.59Å; M99-C102 PolarHBondContact O-N 3.45Å; C102-F104 HydrophobicContact CB-CD2 4.1Å; C102-F104 HydrophobicContact CB-CE2 3.85Å; C102-F104 PolarHBondContact O-N 3.2Å
103K31.4Very low42Very low176 Ų176111.3 Ų111.377%0.76562%0.617SS**  trans-63.883.1151.9-70.6-171.5-179.3-174.40106.9A105K103-A105 VanDerWaalsContact C-N 3.33Å; K103-A105 PolarHBondContact O-N 3.42Å; K103-A105 VanDerWaalsContact O-N 3.1Å
104F38.2Very low40.8Very low109 Ų109112.3 Ų112.348%0.47861%0.612SS.*  trans-60108.6152.7-70.7-81.7000104.2C102 E106 V112C102-F104 HydrophobicContact CB-CD2 4.1Å; C102-F104 HydrophobicContact CB-CE2 3.85Å; C102-F104 PolarHBondContact O-N 3.2Å; F104-E106 PolarHBondContact O-N 3.26Å; F104-V112 HydrophobicContact CE1-CG2 4.08Å; F104-V112 HydrophobicContact CZ-CG2 4.42Å
105A31.5Very low40.6Very low71 Ų71113.9 Ų113.959%0.58761%0.614SS**  trans-51.1130.4169.100000106.4K103 N107 G108K103-A105 VanDerWaalsContact C-N 3.33Å; K103-A105 PolarHBondContact O-N 3.42Å; K103-A105 VanDerWaalsContact O-N 3.1Å; A105-N107 PolarHBondContact O-N 3.25Å; A105-G108 PolarHBondContact O-N 3.21Å
106E40.7Very low41.1Very low193 Ų193113.9 Ų113.990%0.90261%0.608SS**THydrogen-bonded Turntrans-59-9.9-169.6-162166.8172.300113.4F104F104-E106 PolarHBondContact O-N 3.26Å
107N40.5Very low42.2Very low167 Ų167117.2 Ų117.289%0.89360%0.604SS**THydrogen-bonded Turntrans-130.919.1170.8-73.4-27.5000114.3A105A105-N107 PolarHBondContact O-N 3.25Å
108G31Very low43.5Very low33 Ų33116.4 Ų116.434%0.3460%0.604SS.*  trans-102.8106.117600000109.6A105 G110A105-G108 PolarHBondContact O-N 3.21Å; G108-G110 PolarHBondContact O-N 2.97Å
109I39Very low45.2Very low171 Ų171113.3 Ų113.388%0.87758%0.582SS**  trans-59.678.3150.5-57.5167.8000104.9E111I109-E111 PolarHBondContact O-N 3.14Å
110G40Very low47Very low44 Ų44110 Ų11045%0.45457%0.565SS.*  trans-64.797.4168.900000103.4G108 V112G108-G110 PolarHBondContact O-N 2.97Å; G110-V112 WeakPolarHBondContact O-CG2 3.37Å; G110-V112 PolarHBondContact O-N 2.85Å
111E39.9Very low49.1Very low180 Ų180105.4 Ų105.484%0.84154%0.542SS*.  trans-55.990.9174.8-166.2177.8-162.600106I109 H113I109-E111 PolarHBondContact O-N 3.14Å; E111-H113 PolarHBondContact O-N 3.04Å
112V47.7Very low51.4Low38 Ų3897.8 Ų97.823%0.2351%0.512CS..  trans-66.197175.7178.10000103.6Q21 F104 G110 E114 S116Q21-V112 PolarHBondContact NE2-O 3.34Å; F104-V112 HydrophobicContact CE1-CG2 4.08Å; F104-V112 HydrophobicContact CZ-CG2 4.42Å; G110-V112 WeakPolarHBondContact O-CG2 3.37Å; G110-V112 PolarHBondContact O-N 2.85Å; V112-E114 PolarHBondContact O-N 2.78Å; V112-S116 WeakPolarHBondContact CG1-OG 3.18Å
113H44.3Very low53.8Low126 Ų12695.6 Ų95.658%0.58350%0.497SS*.  trans-40.6128.8-177.7-170.8-79.2000108.8E111 N115 S116E111-H113 PolarHBondContact O-N 3.04Å; H113-N115 PolarHBondContact O-N 3.34Å; H113-S116 WeakPolarHBondContact O-CB 3.38Å; H113-S116 PolarHBondContact O-N 3.48Å; H113-S116 PolarHBondContact O-OG 3.38Å
114E48.8Very low56.5Low105 Ų10587.7 Ų87.749%0.49146%0.462SS..THydrogen-bonded Turntrans-51.1-23.1-169.1-71.2-173.4160.900113.7Q21 K22 V112Q21-E114 PolarHBondContact OE1-O 3.09Å; Q21-E114 VanDerWaalsContact OE1-O 3.12Å; K22-E114 WeakPolarHBondContact CE-OE1 3.3Å; K22-E114 IonicContact NZ-OE1 2.77Å; K22-E114 PolarHBondContact NZ-OE1 3.39Å; V112-E114 PolarHBondContact O-N 2.78Å
115N53.6Low58.8Low137 Ų13784 Ų8473%0.73345%0.45SS*.THydrogen-bonded Turntrans-103.10.4-177.7-63.6-38.4000115.1H113H113-N115 PolarHBondContact O-N 3.34Å
116S57.9Low61.6Low41 Ų4183.3 Ų83.329%0.28744%0.435SS..  trans-82.4129-18072.80000110.3V112 H113 G118 Y119V112-S116 WeakPolarHBondContact CG1-OG 3.18Å; H113-S116 WeakPolarHBondContact O-CB 3.38Å; H113-S116 PolarHBondContact O-N 3.48Å; H113-S116 PolarHBondContact O-OG 3.38Å; S116-G118 PolarHBondContact O-N 3.06Å; S116-Y119 WeakPolarHBondContact O-CD1 3.14Å; S116-Y119 PolarHBondContact O-N 2.89Å
117R65.8Low64Low198 Ų19874.2 Ų74.275%0.74739%0.392SS*.THydrogen-bonded Turntrans-57.4-9.9177.2-167.8170.3174.8160.8-4113.6
118G70.5Confident66.2Low37 Ų3767.6 Ų67.638%0.38136%0.359SS..THydrogen-bonded Turntrans-63.2-33.2176.500000114.5S116 F120 K121 T122S116-G118 PolarHBondContact O-N 3.06Å; G118-F120 PolarHBondContact O-N 3.23Å; G118-K121 VanDerWaalsContact O-CB 3.29Å; G118-K121 WeakPolarHBondContact O-CB 3.37Å; G118-K121 PolarHBondContact O-N 3.1Å; G118-T122 PolarHBondContact O-N 3.26Å
119Y75.8Confident68.9Low25 Ų2569.7 Ų69.710%0.09836%0.36CS..Hα-helixtrans-61.7-31.9-178.673.7-101.7000112.3Q21 L24 S116 K121 T122 I123Q21-Y119 HydrophobicContact CB-CD1 4.44Å; Q21-Y119 HydrophobicContact CB-CD2 4.29Å; Q21-Y119 HydrophobicContact CB-CE1 4.4Å; Q21-Y119 HydrophobicContact CB-CE2 4.22Å; Q21-Y119 HydrophobicContact CB-CG 4.42Å; Q21-Y119 HydrophobicContact CG-CD1 4.3Å; Q21-Y119 HydrophobicContact CG-CD2 3.93Å; Q21-Y119 HydrophobicContact CG-CE2 4.35Å; Q21-Y119 HydrophobicContact CG-CG 3.92Å; L24-Y119 HydrophobicContact CD1-CE2 3.68Å; S116-Y119 WeakPolarHBondContact O-CD1 3.14Å; S116-Y119 PolarHBondContact O-N 2.89Å; Y119-K121 PolarHBondContact O-N 3.02Å; Y119-T122 PolarHBondContact O-N 2.89Å; Y119-I123 HydrophobicContact CD2-CD1 3.8Å; Y119-I123 HydrophobicContact CE2-CD1 4.28Å; Y119-I123 WeakPolarHBondContact O-CG1 3.42Å; Y119-I123 PolarHBondContact O-N 2.83Å
120F80.2Confident71.4Confident62 Ų6262 Ų6227%0.27232%0.32SS..Hα-helixtrans-63.7-30.8174.5-75.7-66.5000112.6L24 G118 F124L24-F120 HydrophobicContact CD1-CD1 4.44Å; L24-F120 HydrophobicContact CD1-CE1 3.63Å; L24-F120 HydrophobicContact CD1-CZ 4.16Å; G118-F120 PolarHBondContact O-N 3.23Å; F120-F124 HydrophobicContact CD1-CE1 4.24Å; F120-F124 HydrophobicContact CD1-CZ 4.43Å; F120-F124 VanDerWaalsContact O-CB 3.26Å; F120-F124 WeakPolarHBondContact O-CB 3.4Å; F120-F124 WeakPolarHBondContact O-CD1 3.25Å; F120-F124 WeakPolarHBondContact O-CG 3.3Å; F120-F124 PolarHBondContact O-N 3.14Å
121K81.7Confident73.7Confident59 Ų5964.3 Ų64.326%0.25732%0.315SS..Hα-helixtrans-65.8-45.7177.4-169-179.3177.3-173.30109.5G118 Y119 F124 S125G118-K121 VanDerWaalsContact O-CB 3.29Å; G118-K121 WeakPolarHBondContact O-CB 3.37Å; G118-K121 PolarHBondContact O-N 3.1Å; Y119-K121 PolarHBondContact O-N 3.02Å; K121-F124 PolarHBondContact O-N 3.34Å; K121-S125 PolarHBondContact O-N 3.47Å; K121-S125 PolarHBondContact O-OG 2.85Å
122T84Confident75.9Confident32 Ų3262.5 Ų62.520%0.19630%0.301CS..Hα-helixtrans-61.3-49.5176.6-37.20000111.3G118 Y119 F124 S125 E126G118-T122 PolarHBondContact O-N 3.26Å; Y119-T122 PolarHBondContact O-N 2.89Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.34Å; T122-S125 PolarHBondContact O-N 2.9Å; T122-E126 WeakPolarHBondContact CG2-OE1 3.5Å; T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 3.44Å
123I86.7Confident77.9Confident3 Ų365.8 Ų65.82%0.01531%0.313CS..Hα-helixtrans-56.7-42.5175.9-67.2175.3000111.2L24 L28 Y119 E126 V127L24-I123 HydrophobicContact CB-CD1 3.78Å; L24-I123 HydrophobicContact CD1-CD1 4.26Å; L28-I123 HydrophobicContact CD2-CG2 4.43Å; Y119-I123 HydrophobicContact CD2-CD1 3.8Å; Y119-I123 HydrophobicContact CE2-CD1 4.28Å; Y119-I123 WeakPolarHBondContact O-CG1 3.42Å; Y119-I123 PolarHBondContact O-N 2.83Å; I123-E126 PolarHBondContact O-N 3.46Å; I123-V127 HydrophobicContact CG2-CG2 4.18Å; I123-V127 WeakPolarHBondContact O-CB 3.44Å; I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.22Å
124F88.6Confident80Confident11 Ų1160.3 Ų60.35%0.04829%0.288CS..Hα-helixtrans-69.9-37.7-178.1-71.92.8000112.8T84 R87 A88 R91 F120 K121 T122 C128T84-F124 HydrophobicContact CG2-CD1 4.23Å; T84-F124 HydrophobicContact CG2-CE1 4Å; R87-F124 HydrophobicContact CB-CE2 4.1Å; R87-F124 HydrophobicContact CB-CZ 4.03Å; A88-F124 HydrophobicContact CB-CB 3.7Å; A88-F124 HydrophobicContact CB-CD1 4.15Å; A88-F124 HydrophobicContact CB-CD2 4.33Å; A88-F124 HydrophobicContact CB-CG 3.83Å; R91-F124 HydrophobicContact CB-CD2 4.36Å; R91-F124 HydrophobicContact CG-CD2 4.35Å; R91-F124 HydrophobicContact CG-CE2 4.29Å; R91-F124 VanDerWaalsContact CZ-CE2 3.41Å; F120-F124 HydrophobicContact CD1-CE1 4.24Å; F120-F124 HydrophobicContact CD1-CZ 4.43Å; F120-F124 VanDerWaalsContact O-CB 3.26Å; F120-F124 WeakPolarHBondContact O-CB 3.4Å; F120-F124 WeakPolarHBondContact O-CD1 3.25Å; F120-F124 WeakPolarHBondContact O-CG 3.3Å; F120-F124 PolarHBondContact O-N 3.14Å; K121-F124 PolarHBondContact O-N 3.34Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.34Å; F124-C128 WeakPolarHBondContact O-CB 3.38Å; F124-C128 PolarHBondContact O-N 2.93Å; F124-C128 VanDerWaalsContact O-N 3.1Å; F124-C128 PolarHBondContact O-SG 3.47Å
125S86.3Confident81.8Confident32 Ų3261.4 Ų61.422%0.22430%0.295CS..Hα-helixtrans-60.5-50.4171.3-64.20000110.6K121 T122 V127 C128 E129K121-S125 PolarHBondContact O-N 3.47Å; K121-S125 PolarHBondContact O-OG 2.85Å; T122-S125 PolarHBondContact O-N 2.9Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.28Å; S125-C128 PolarHBondContact O-N 3.37Å; S125-C128 VanDerWaalsContact O-N 3.15Å; S125-E129 WeakPolarHBondContact O-CG 3.35Å; S125-E129 PolarHBondContact O-N 2.9Å
126E91Very high83.5Confident55 Ų5560.4 Ų60.426%0.25729%0.294SS..Hα-helixtrans-59.7-41.5179.1-70.4170.1-129.200112.5R25 L28 T122 I123 C128 E129 F130R25-E126 IonicContact CZ-OE1 2.92Å; R25-E126 IonicContact NH1-OE1 3.44Å; R25-E126 PolarHBondContact NH1-OE1 2.85Å; R25-E126 IonicContact NH1-OE2 2.65Å; R25-E126 PolarHBondContact NH1-OE2 3.22Å; R25-E126 IonicContact NH2-OE1 3.61Å; R25-E126 PolarHBondContact NH2-OE1 3.15Å; L28-E126 HydrophobicContact CD2-CB 3.94Å; L28-E126 WeakPolarHBondContact CD2-OE2 3.29Å; T122-E126 WeakPolarHBondContact CG2-OE1 3.5Å; T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 3.44Å; I123-E126 PolarHBondContact O-N 3.46Å; E126-C128 VanDerWaalsContact C-N 3.34Å; E126-C128 PolarHBondContact O-N 3.4Å; E126-E129 PolarHBondContact O-N 2.95Å; E126-F130 WeakPolarHBondContact O-CB 3.22Å; E126-F130 PolarHBondContact O-N 2.91Å
127V90Very high85Confident2 Ų260.5 Ų60.51%0.01230%0.295CS..Hα-helixtrans-64.2-38.3176.8168.80000112.1L28 W81 T84 K85 A88 I123 S125 R131L28-V127 HydrophobicContact CD1-CG2 3.8Å; W81-V127 HydrophobicContact CH2-CB 4.35Å; W81-V127 HydrophobicContact CH2-CG1 3.95Å; W81-V127 HydrophobicContact CH2-CG2 3.79Å; W81-V127 HydrophobicContact CZ2-CG1 4.38Å; W81-V127 HydrophobicContact CZ3-CG1 4.38Å; W81-V127 HydrophobicContact CZ3-CG2 3.73Å; T84-V127 HydrophobicContact CG2-CG2 4.17Å; K85-V127 HydrophobicContact CB-CG1 4.45Å; K85-V127 HydrophobicContact CG-CG1 3.74Å; A88-V127 HydrophobicContact CB-CB 4.5Å; A88-V127 HydrophobicContact CB-CG1 4.31Å; I123-V127 HydrophobicContact CG2-CG2 4.18Å; I123-V127 WeakPolarHBondContact O-CB 3.44Å; I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.22Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.28Å; V127-R131 WeakPolarHBondContact O-CB 3.44Å; V127-R131 PolarHBondContact O-N 2.73Å
128C86.8Confident86.3Confident29 Ų2953.1 Ų53.120%0.19627%0.267CS..Hα-helixtrans-73.3-40.4178-76.50000112.2A88 L92 F124 S125 E126 R131 R132A88-C128 VanDerWaalsContact CB-SG 3.57Å; L92-C128 HydrophobicContact CD1-CB 3.55Å; L92-C128 WeakPolarHBondContact CD1-SG 3.39Å; F124-C128 WeakPolarHBondContact O-CB 3.38Å; F124-C128 PolarHBondContact O-N 2.93Å; F124-C128 VanDerWaalsContact O-N 3.1Å; F124-C128 PolarHBondContact O-SG 3.47Å; S125-C128 PolarHBondContact O-N 3.37Å; S125-C128 VanDerWaalsContact O-N 3.15Å; E126-C128 VanDerWaalsContact C-N 3.34Å; E126-C128 PolarHBondContact O-N 3.4Å; C128-R131 PolarHBondContact O-N 2.62Å; C128-R132 WeakPolarHBondContact O-CB 3.4Å; C128-R132 PolarHBondContact O-N 3.15Å
129E89Confident87.2Confident76 Ų7653.6 Ų53.636%0.35526%0.262SS..Hα-helixtrans-58.4-52.4171.9-74.4-61.6136.200111.1S125 E126 R131 R132 Q133S125-E129 WeakPolarHBondContact O-CG 3.35Å; S125-E129 PolarHBondContact O-N 2.9Å; E126-E129 PolarHBondContact O-N 2.95Å; E129-R131 VanDerWaalsContact C-N 3.35Å; E129-R131 PolarHBondContact O-N 3.1Å; E129-R132 PolarHBondContact O-N 3.33Å; E129-R132 VanDerWaalsContact O-N 3.1Å; E129-R132 IonicContact OE1-CZ 2.66Å; E129-R132 IonicContact OE1-NH1 2.76Å; E129-R132 PolarHBondContact OE1-NH1 2.87Å; E129-R132 IonicContact OE1-NH2 2.75Å; E129-R132 PolarHBondContact OE1-NH2 3.31Å; E129-R132 IonicContact OE2-CZ 3.72Å; E129-R132 IonicContact OE2-NH1 3.12Å; E129-R132 IonicContact OE2-NH2 2.72Å; E129-R132 PolarHBondContact OE2-NH2 2.94Å; E129-Q133 WeakPolarHBondContact O-CG 3.49Å; E129-Q133 PolarHBondContact O-N 2.84Å
130F90.3Very high87.9Confident10 Ų1055.2 Ų55.24%0.04428%0.276CS..Hα-helixtrans-51-53.2174.8171.6-100.4000111.4V31 Q32 P35 E39 W81 E126 R132 Q133 I134V31-F130 HydrophobicContact CG1-CE1 4.09Å; V31-F130 HydrophobicContact CG1-CZ 3.96Å; Q32-F130 HydrophobicContact CB-CE2 4.48Å; Q32-F130 HydrophobicContact CG-CD2 3.89Å; Q32-F130 HydrophobicContact CG-CE2 4.09Å; P35-F130 HydrophobicContact CB-CE2 3.58Å; P35-F130 HydrophobicContact CB-CZ 3.83Å; P35-F130 HydrophobicContact CG-CE2 4.41Å; E39-F130 HydrophobicContact CG-CD1 4.32Å; E39-F130 HydrophobicContact CG-CE1 3.6Å; E39-F130 HydrophobicContact CG-CZ 4.36Å; W81-F130 HydrophobicContact CH2-CD1 4.04Å; W81-F130 HydrophobicContact CH2-CE1 4.13Å; W81-F130 AromaticContact CZ2-CD1 3.79Å; W81-F130 HydrophobicContact CZ2-CD1 3.79Å; W81-F130 AromaticContact CZ2-CE1 3.6Å; W81-F130 HydrophobicContact CZ2-CE1 3.6Å; E126-F130 WeakPolarHBondContact O-CB 3.22Å; E126-F130 PolarHBondContact O-N 2.91Å; F130-R132 VanDerWaalsContact C-N 3.32Å; F130-R132 PolarHBondContact O-N 2.93Å; F130-Q133 PolarHBondContact O-N 3.17Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 WeakPolarHBondContact O-CG1 3.47Å; F130-I134 PolarHBondContact O-N 2.99Å; F130-I134 VanDerWaalsContact O-N 3.12Å
131R87.8Confident88.5Confident93 Ų9358 Ų5835%0.35129%0.29SS..Hα-helixtrans-61-41179.8-174.7-177.8176.5-173.6-0.1112.1V127 C128 E129 I134 M135V127-R131 WeakPolarHBondContact O-CB 3.44Å; V127-R131 PolarHBondContact O-N 2.73Å; C128-R131 PolarHBondContact O-N 2.62Å; E129-R131 VanDerWaalsContact C-N 3.35Å; E129-R131 PolarHBondContact O-N 3.1Å; R131-I134 PolarHBondContact O-N 2.98Å; R131-M135 HydrophobicContact CG-CG 4.27Å; R131-M135 WeakPolarHBondContact O-CB 3.36Å; R131-M135 VanDerWaalsContact O-CG 3.25Å; R131-M135 WeakPolarHBondContact O-CG 3.41Å; R131-M135 PolarHBondContact O-N 3.28Å
132R87.7Confident89Confident142 Ų14259.4 Ų59.454%0.53630%0.296SS..Hα-helixtrans-62.9-45.8179.8-172173.270.3-129.56.2110.9C128 E129 F130 I134 M135 T136C128-R132 WeakPolarHBondContact O-CB 3.4Å; C128-R132 PolarHBondContact O-N 3.15Å; E129-R132 PolarHBondContact O-N 3.33Å; E129-R132 VanDerWaalsContact O-N 3.1Å; E129-R132 IonicContact OE1-CZ 2.66Å; E129-R132 IonicContact OE1-NH1 2.76Å; E129-R132 PolarHBondContact OE1-NH1 2.87Å; E129-R132 IonicContact OE1-NH2 2.75Å; E129-R132 PolarHBondContact OE1-NH2 3.31Å; E129-R132 IonicContact OE2-CZ 3.72Å; E129-R132 IonicContact OE2-NH1 3.12Å; E129-R132 IonicContact OE2-NH2 2.72Å; E129-R132 PolarHBondContact OE2-NH2 2.94Å; F130-R132 VanDerWaalsContact C-N 3.32Å; F130-R132 PolarHBondContact O-N 2.93Å; R132-I134 VanDerWaalsContact C-N 3.31Å; R132-I134 PolarHBondContact O-N 3.38Å; R132-M135 PolarHBondContact O-N 3.45Å; R132-T136 PolarHBondContact O-N 2.96Å; R132-T136 PolarHBondContact O-OG1 3.3Å; R132-T136 VanDerWaalsContact O-OG1 3.1Å
133Q89.4Confident89.5Confident107 Ų10758 Ų5850%0.529%0.287SS..Hα-helixtrans-57.5-43.2177.3-70.2172.20.200111.8E129 F130 T136 S137E129-Q133 WeakPolarHBondContact O-CG 3.49Å; E129-Q133 PolarHBondContact O-N 2.84Å; F130-Q133 PolarHBondContact O-N 3.17Å; Q133-T136 PolarHBondContact O-N 3.1Å; Q133-T136 PolarHBondContact O-OG1 3.04Å; Q133-S137 WeakPolarHBondContact O-CB 3.41Å; Q133-S137 PolarHBondContact O-N 3.44Å; Q133-S137 VanDerWaalsContact O-N 3.13Å; Q133-S137 PolarHBondContact O-OG 3.3Å
134I88.5Confident89.7Confident11 Ų1161.1 Ų61.16%0.05630%0.304CS..Hα-helixtrans-73.9-40.9-178.4-55-40.7000111.8P35 E39 F130 R131 R132 T136 S137 Y138P35-I134 HydrophobicContact CB-CD1 3.2Å; P35-I134 HydrophobicContact CB-CG1 3.49Å; P35-I134 VanDerWaalsContact CB-CG1 3.49Å; P35-I134 HydrophobicContact CG-CD1 3.94Å; E39-I134 HydrophobicContact CB-CB 4.26Å; E39-I134 HydrophobicContact CB-CG2 3.84Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 WeakPolarHBondContact O-CG1 3.47Å; F130-I134 PolarHBondContact O-N 2.99Å; F130-I134 VanDerWaalsContact O-N 3.12Å; R131-I134 PolarHBondContact O-N 2.98Å; R132-I134 VanDerWaalsContact C-N 3.31Å; R132-I134 PolarHBondContact O-N 3.38Å; I134-T136 PolarHBondContact O-N 2.83Å; I134-T136 VanDerWaalsContact O-N 3.12Å; I134-S137 PolarHBondContact O-N 3.45Å; I134-S137 VanDerWaalsContact O-N 3.11Å; I134-Y138 WeakPolarHBondContact O-CB 3.41Å; I134-Y138 PolarHBondContact O-N 2.95Å
135M86.7Confident90Very high128 Ų12864.3 Ų64.363%0.63133%0.328SS*.Hα-helixtrans-57.6-30175.1-73.1-62.9-46.900113R131 R132R131-M135 HydrophobicContact CG-CG 4.27Å; R131-M135 WeakPolarHBondContact O-CB 3.36Å; R131-M135 VanDerWaalsContact O-CG 3.25Å; R131-M135 WeakPolarHBondContact O-CG 3.41Å; R131-M135 PolarHBondContact O-N 3.28Å; R132-M135 PolarHBondContact O-N 3.45Å
136T88.1Confident90.4Very high116 Ų11664.1 Ų64.171%0.71232%0.324SS*.Hα-helixtrans-89.4-19.6178.751.30000114.5R132 Q133 I134R132-T136 PolarHBondContact O-N 2.96Å; R132-T136 PolarHBondContact O-OG1 3.3Å; R132-T136 VanDerWaalsContact O-OG1 3.1Å; Q133-T136 PolarHBondContact O-N 3.1Å; Q133-T136 PolarHBondContact O-OG1 3.04Å; I134-T136 PolarHBondContact O-N 2.83Å; I134-T136 VanDerWaalsContact O-N 3.12Å
137S89.9Confident90.6Very high43 Ų4362.6 Ų62.630%0.30132%0.316SS..Hα-helixtrans-124.9-3.5-168.969.10000115Q133 I134 K142Q133-S137 WeakPolarHBondContact O-CB 3.41Å; Q133-S137 PolarHBondContact O-N 3.44Å; Q133-S137 VanDerWaalsContact O-N 3.13Å; Q133-S137 PolarHBondContact O-OG 3.3Å; I134-S137 PolarHBondContact O-N 3.45Å; I134-S137 VanDerWaalsContact O-N 3.11Å; S137-K142 WeakPolarHBondContact O-CD 3.34Å; S137-K142 PolarHBondContact O-NZ 3.27Å
138Y92.2Very high90.7Very high43 Ų4366 Ų6617%0.16934%0.337CS..  trans-61.4134-179.8171.6-90.7000111.9N36 S40 P41 N42 I134 E143N36-Y138 HydrophobicContact CB-CD2 4.1Å; N36-Y138 HydrophobicContact CB-CE2 4.36Å; N36-Y138 WeakPolarHBondContact OD1-CA 3.38Å; S40-Y138 PolarHBondContact OG-OH 3.32Å; P41-Y138 VanDerWaalsContact CD-CE1 3.41Å; P41-Y138 HydrophobicContact CG-CD1 3.63Å; P41-Y138 HydrophobicContact CG-CE1 3.42Å; P41-Y138 VanDerWaalsContact CG-CE1 3.42Å; P41-Y138 HydrophobicContact CG-CE2 4.49Å; P41-Y138 HydrophobicContact CG-CG 4.27Å; N42-Y138 PolarHBondContact ND2-OH 3.46Å; I134-Y138 WeakPolarHBondContact O-CB 3.41Å; I134-Y138 PolarHBondContact O-N 2.95Å; Y138-E143 HydrophobicContact CE2-CB 4.19Å; Y138-E143 PolarHBondContact OH-OE2 2.92Å
139T90.2Very high91.1Very high46 Ų4670 Ų7028%0.28235%0.351SS..  trans-140.2153.1163.580.40000109.5E141 K142 E143T139-E141 WeakPolarHBondContact CB-OE2 3.2Å; T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-OE2 3.44Å; T139-K142 PolarHBondContact O-N 3.09Å; T139-K142 WeakPolarHBondContact OG1-CG 3.45Å; T139-K142 PolarHBondContact OG1-N 3.05Å; T139-E143 PolarHBondContact O-N 3.09Å
140P90.9Very high91.3Very high60 Ų6066.6 Ų66.639%0.3934%0.335SS..Hα-helixtrans-55.9-37175.2-25.235.6000113.2K142 E143 D144P140-K142 VanDerWaalsContact C-N 3.29Å; P140-K142 PolarHBondContact O-N 3Å; P140-E143 WeakPolarHBondContact O-CA 3.25Å; P140-E143 WeakPolarHBondContact O-CB 3.34Å; P140-E143 PolarHBondContact O-N 2.85Å; P140-E143 VanDerWaalsContact O-N 3.08Å; P140-D144 PolarHBondContact O-N 3.49Å
141E92.9Very high91.4Very high120 Ų12070 Ų7056%0.56135%0.353SS*.Hα-helixtrans-65.5-34.1-179.7-54.673-156.900111.6T139 S145T139-E141 WeakPolarHBondContact CB-OE2 3.2Å; T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-OE2 3.44Å; E141-S145 WeakPolarHBondContact O-CB 3.35Å; E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 3.1Å
142K93.1Very high91.6Very high88 Ų8871 Ų7138%0.38336%0.362SS..Hα-helixtrans-70.2-36.6172.8-70.3178.9-178.3178.60112N36 S137 T139 P140 E146N36-K142 HydrophobicContact CB-CB 4.34Å; S137-K142 WeakPolarHBondContact O-CD 3.34Å; S137-K142 PolarHBondContact O-NZ 3.27Å; T139-K142 PolarHBondContact O-N 3.09Å; T139-K142 WeakPolarHBondContact OG1-CG 3.45Å; T139-K142 PolarHBondContact OG1-N 3.05Å; P140-K142 VanDerWaalsContact C-N 3.29Å; P140-K142 PolarHBondContact O-N 3Å; K142-E146 WeakPolarHBondContact O-CB 3.43Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 3.05Å
143E92.6Very high91.7Very high2 Ų267.2 Ų67.21%0.00935%0.35CS..Hα-helixtrans-62.7-44.9172.8-174.1-176.2156.100110.9N36 I37 S40 T47 R50 Y138 T139 P140 E146 F147N36-E143 HydrophobicContact CB-CB 4.27Å; I37-E143 HydrophobicContact CG1-CG 4.26Å; S40-E143 WeakPolarHBondContact CB-OE2 3.39Å; S40-E143 PolarHBondContact OG-OE2 3.48Å; T47-E143 WeakPolarHBondContact CB-OE1 3.49Å; T47-E143 WeakPolarHBondContact CG2-OE1 3.37Å; T47-E143 PolarHBondContact OG1-OE1 3.03Å; R50-E143 IonicContact NH1-OE1 3.14Å; Y138-E143 HydrophobicContact CE2-CB 4.19Å; Y138-E143 PolarHBondContact OH-OE2 2.92Å; T139-E143 PolarHBondContact O-N 3.09Å; P140-E143 WeakPolarHBondContact O-CA 3.25Å; P140-E143 WeakPolarHBondContact O-CB 3.34Å; P140-E143 PolarHBondContact O-N 2.85Å; P140-E143 VanDerWaalsContact O-N 3.08Å; E143-E146 PolarHBondContact O-N 3.12Å; E143-F147 WeakPolarHBondContact O-CB 3.38Å; E143-F147 PolarHBondContact O-N 2.99Å
144D92.3Very high91.5Very high70 Ų7063.3 Ų63.337%0.37433%0.334SS..Hα-helixtrans-63.4-44.4177.9-70-27.4000112R50 P140 F147 T148R50-D144 IonicContact CZ-OD1 2.71Å; R50-D144 IonicContact NH1-OD1 2.64Å; R50-D144 PolarHBondContact NH1-OD1 2.83Å; R50-D144 IonicContact NH2-OD1 3.76Å; R50-D144 PolarHBondContact NH2-OD1 2.67Å; P140-D144 PolarHBondContact O-N 3.49Å; D144-F147 PolarHBondContact O-N 3.09Å; D144-T148 PolarHBondContact O-N 3.14Å; D144-T148 PolarHBondContact O-OG1 2.7Å
145S94.4Very high91.1Very high78 Ų7866.4 Ų66.455%0.54536%0.356SS..Hα-helixtrans-63.6-43.8177.7-57.70000111.6E141 F147 T148 K149E141-S145 WeakPolarHBondContact O-CB 3.35Å; E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 3.1Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.78Å; S145-T148 PolarHBondContact O-N 2.82Å; S145-K149 WeakPolarHBondContact O-CB 3.5Å; S145-K149 PolarHBondContact O-N 2.84Å
146E94.7Very high90.2Very high28 Ų2866.5 Ų66.513%0.13136%0.355CS..Hα-helixtrans-63.7-38.4175.1-81.1-176.7-169.600112.5Y34 P35 N36 I37 K142 E143 F150Y34-E146 WeakPolarHBondContact CA-OE2 3.46Å; P35-E146 WeakPolarHBondContact CD-OE1 3.17Å; P35-E146 VanDerWaalsContact CG-OE1 3.27Å; P35-E146 WeakPolarHBondContact CG-OE1 3.37Å; N36-E146 WeakPolarHBondContact CA-OE2 3.27Å; N36-E146 WeakPolarHBondContact CB-OE2 3.45Å; N36-E146 PolarHBondContact N-OE1 2.89Å; N36-E146 PolarHBondContact N-OE2 3.48Å; N36-E146 PolarHBondContact ND2-OE1 3.41Å; I37-E146 HydrophobicContact CD1-CB 4.03Å; I37-E146 HydrophobicContact CG1-CB 3.97Å; I37-E146 PolarHBondContact N-OE2 3.15Å; I37-E146 VanDerWaalsContact N-OE2 3.13Å; K142-E146 WeakPolarHBondContact O-CB 3.43Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 3.05Å; E143-E146 PolarHBondContact O-N 3.12Å; E146-F150 WeakPolarHBondContact O-CB 3.08Å; E146-F150 PolarHBondContact O-N 2.94Å
147F94.8Very high88.9Confident22 Ų2266.2 Ų66.210%0.09635%0.35CS..Hα-helixtrans-70.3-39.3-179.8-173.4-115.7000111.7I37 R50 E143 D144 S145 F150 L151I37-F147 HydrophobicContact CD1-CB 3.93Å; I37-F147 HydrophobicContact CD1-CD2 4.05Å; R50-F147 HydrophobicContact CB-CD2 3.86Å; R50-F147 HydrophobicContact CB-CE2 3.87Å; R50-F147 HydrophobicContact CB-CG 4.42Å; R50-F147 HydrophobicContact CB-CZ 4.44Å; R50-F147 HydrophobicContact CG-CD1 3.95Å; R50-F147 HydrophobicContact CG-CD2 3.69Å; R50-F147 HydrophobicContact CG-CE1 3.91Å; R50-F147 HydrophobicContact CG-CE2 3.66Å; R50-F147 HydrophobicContact CG-CG 3.83Å; R50-F147 HydrophobicContact CG-CZ 3.78Å; E143-F147 WeakPolarHBondContact O-CB 3.38Å; E143-F147 PolarHBondContact O-N 2.99Å; D144-F147 PolarHBondContact O-N 3.09Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.78Å; F147-F150 AromaticContact CD2-CD1 3.91Å; F147-F150 HydrophobicContact CD2-CD1 3.91Å; F147-F150 AromaticContact CE2-CD1 3.84Å; F147-F150 HydrophobicContact CE2-CD1 3.84Å; F147-F150 HydrophobicContact CE2-CE1 4.12Å; F147-F150 WeakPolarHBondContact O-CB 3.37Å; F147-F150 PolarHBondContact O-N 3.45Å; F147-L151 HydrophobicContact CD1-CD1 4.13Å; F147-L151 HydrophobicContact CE1-CD1 3.68Å; F147-L151 HydrophobicContact CE1-CG 4.25Å; F147-L151 HydrophobicContact CE2-CD2 4.4Å; F147-L151 HydrophobicContact CE2-CG 4.45Å; F147-L151 HydrophobicContact CZ-CD1 4.02Å; F147-L151 HydrophobicContact CZ-CD2 4.1Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.24Å; F147-L151 PolarHBondContact O-N 3.48Å
148T93.2Very high87Confident75 Ų7571 Ų7146%0.4637%0.367SS..Hα-helixtrans-59.7-50.1173.7-53.30000110.5D144 S145 F150 L151 E152D144-T148 PolarHBondContact O-N 3.14Å; D144-T148 PolarHBondContact O-OG1 2.7Å; S145-T148 PolarHBondContact O-N 2.82Å; T148-F150 VanDerWaalsContact C-N 3.31Å; T148-F150 PolarHBondContact O-N 3.34Å; T148-L151 PolarHBondContact O-N 3.37Å; T148-L151 VanDerWaalsContact O-N 3.09Å; T148-E152 PolarHBondContact O-N 2.96Å
149K93.6Very high84.7Confident113 Ų11373.3 Ų73.349%0.49139%0.39SS..Hα-helixtrans-58.3-40.7175.2178.3176.9171.3178.40112.9S145 L151 E152 E153S145-K149 WeakPolarHBondContact O-CB 3.5Å; S145-K149 PolarHBondContact O-N 2.84Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.46Å; K149-E152 PolarHBondContact O-N 3.46Å; K149-E153 WeakPolarHBondContact CE-OE1 3.15Å; K149-E153 HydrophobicContact CG-CG 4.5Å; K149-E153 IonicContact NZ-OE1 2.99Å; K149-E153 WeakPolarHBondContact O-CG 3.41Å; K149-E153 PolarHBondContact O-N 3.13Å
150F94.6Very high82.4Confident3 Ų376.1 Ų76.11%0.01341%0.411CS..Hα-helixtrans-61-40.6175.9163.1-98.3000112.3Y34 V53 L54 H57 E146 F147 T148 T154Y34-F150 HydrophobicContact CD1-CB 3.96Å; Y34-F150 HydrophobicContact CE1-CB 3.64Å; Y34-F150 HydrophobicContact CE1-CD2 4.12Å; Y34-F150 HydrophobicContact CE1-CG 4.38Å; Y34-F150 HydrophobicContact CE2-CD2 4.11Å; Y34-F150 AromaticContact CZ-CD2 3.81Å; V53-F150 HydrophobicContact CB-CE1 4.48Å; V53-F150 HydrophobicContact CG1-CE1 3.64Å; V53-F150 HydrophobicContact CG1-CZ 3.85Å; L54-F150 HydrophobicContact CD1-CD2 3.8Å; L54-F150 HydrophobicContact CD1-CE2 3.71Å; L54-F150 HydrophobicContact CD1-CZ 4.49Å; H57-F150 HydrophobicContact CB-CE2 3.71Å; H57-F150 HydrophobicContact CB-CZ 3.93Å; H57-F150 AromaticContact CD2-CE2 3.53Å; H57-F150 AromaticContact CG-CE2 3.82Å; E146-F150 WeakPolarHBondContact O-CB 3.08Å; E146-F150 PolarHBondContact O-N 2.94Å; F147-F150 AromaticContact CD2-CD1 3.91Å; F147-F150 HydrophobicContact CD2-CD1 3.91Å; F147-F150 AromaticContact CE2-CD1 3.84Å; F147-F150 HydrophobicContact CE2-CD1 3.84Å; F147-F150 HydrophobicContact CE2-CE1 4.12Å; F147-F150 WeakPolarHBondContact O-CB 3.37Å; F147-F150 PolarHBondContact O-N 3.45Å; T148-F150 VanDerWaalsContact C-N 3.31Å; T148-F150 PolarHBondContact O-N 3.34Å; F150-T154 HydrophobicContact CD2-CG2 4.17Å; F150-T154 HydrophobicContact CE2-CG2 3.72Å; F150-T154 HydrophobicContact CZ-CG2 3.95Å; F150-T154 WeakPolarHBondContact O-CB 3.09Å; F150-T154 WeakPolarHBondContact O-CG2 3.47Å; F150-T154 PolarHBondContact O-N 2.67Å; F150-T154 VanDerWaalsContact O-N 3.11Å; F150-T154 PolarHBondContact O-OG1 2.69Å
151L92.4Very high79.9Confident82 Ų8282.2 Ų82.243%0.42943%0.434SS..Hα-helixtrans-67.9-40.3177.2-67.8176.5000111.9F147 T148 K149 T154 S155F147-L151 HydrophobicContact CD1-CD1 4.13Å; F147-L151 HydrophobicContact CE1-CD1 3.68Å; F147-L151 HydrophobicContact CE1-CG 4.25Å; F147-L151 HydrophobicContact CE2-CD2 4.4Å; F147-L151 HydrophobicContact CE2-CG 4.45Å; F147-L151 HydrophobicContact CZ-CD1 4.02Å; F147-L151 HydrophobicContact CZ-CD2 4.1Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.24Å; F147-L151 PolarHBondContact O-N 3.48Å; T148-L151 PolarHBondContact O-N 3.37Å; T148-L151 VanDerWaalsContact O-N 3.09Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.46Å; L151-T154 WeakPolarHBondContact CA-OG1 3.49Å; L151-T154 PolarHBondContact O-N 3.28Å; L151-T154 PolarHBondContact O-OG1 2.94Å; L151-T154 VanDerWaalsContact O-OG1 3.09Å; L151-S155 WeakPolarHBondContact O-CB 3.36Å; L151-S155 PolarHBondContact O-N 2.72Å
152E91.9Very high77.2Confident113 Ų11384.9 Ų84.953%0.52845%0.452SS..Hα-helixtrans-59.2-54.1174.7-69.5169.7-18000111.1T148 K149 T154 S155 E156T148-E152 PolarHBondContact O-N 2.96Å; K149-E152 PolarHBondContact O-N 3.46Å; E152-T154 PolarHBondContact O-N 2.95Å; E152-S155 PolarHBondContact O-N 2.64Å; E152-S155 VanDerWaalsContact O-N 3.08Å; E152-S155 PolarHBondContact O-OG 2.74Å; E152-E156 PolarHBondContact O-N 2.65Å
153E89.4Confident74.2Confident63 Ų6384 Ų8429%0.29447%0.469SS..Hα-helixtrans-60.4-32.8-179.8-71.7178-179.200113Y34 K149Y34-E153 PolarHBondContact OH-OE2 2.78Å; K149-E153 WeakPolarHBondContact CE-OE1 3.15Å; K149-E153 HydrophobicContact CG-CG 4.5Å; K149-E153 IonicContact NZ-OE1 2.99Å; K149-E153 WeakPolarHBondContact O-CG 3.41Å; K149-E153 PolarHBondContact O-N 3.13Å
154T85.2Confident71.7Confident26 Ų2693.3 Ų93.316%0.1651%0.512CS..Hα-helixtrans-81.2-22.517948.50000113.5H57 F150 L151 E152 H158H57-T154 VanDerWaalsContact CE1-CG2 3.46Å; H57-T154 WeakPolarHBondContact CE1-CG2 3.09Å; H57-T154 WeakPolarHBondContact NE2-CG2 3.41Å; F150-T154 HydrophobicContact CD2-CG2 4.17Å; F150-T154 HydrophobicContact CE2-CG2 3.72Å; F150-T154 HydrophobicContact CZ-CG2 3.95Å; F150-T154 WeakPolarHBondContact O-CB 3.09Å; F150-T154 WeakPolarHBondContact O-CG2 3.47Å; F150-T154 PolarHBondContact O-N 2.67Å; F150-T154 VanDerWaalsContact O-N 3.11Å; F150-T154 PolarHBondContact O-OG1 2.69Å; L151-T154 WeakPolarHBondContact CA-OG1 3.49Å; L151-T154 PolarHBondContact O-N 3.28Å; L151-T154 PolarHBondContact O-OG1 2.94Å; L151-T154 VanDerWaalsContact O-OG1 3.09Å; E152-T154 PolarHBondContact O-N 2.95Å; T154-H158 PolarHBondContact O-CD2 3.27Å; T154-H158 VanDerWaalsContact O-CD2 3.27Å
155S81.1Confident68.9Low75 Ų75102.6 Ų102.652%0.52454%0.542SS..Hα-helixtrans-75.5-34.1176.371.30000112.7L151 E152 H158L151-S155 WeakPolarHBondContact O-CB 3.36Å; L151-S155 PolarHBondContact O-N 2.72Å; E152-S155 PolarHBondContact O-N 2.64Å; E152-S155 VanDerWaalsContact O-N 3.08Å; E152-S155 PolarHBondContact O-OG 2.74Å; S155-H158 PolarHBondContact O-N 2.93Å
156E67.4Low66Low131 Ų131102.7 Ų102.761%0.61255%0.548SS*.Hα-helixtrans-68-38.8-179.6-69178.6179.100112.7E152 H158 S159E152-E156 PolarHBondContact O-N 2.65Å; E156-H158 PolarHBondContact O-N 2.99Å; E156-S159 PolarHBondContact O-N 3.01Å; E156-S159 PolarHBondContact O-OG 2.96Å
157D59.9Low62.8Low110 Ų110108.1 Ų108.159%0.58859%0.587SS**THydrogen-bonded Turntrans-56.6-20.1178.1-79.6-19.5000113
158H50.1Low59.5Low142 Ų142110.3 Ų110.366%0.65762%0.616SS**THydrogen-bonded Turntrans-95.4-8.5-179.5-74-65.1000114.5T154 S155 E156T154-H158 PolarHBondContact O-CD2 3.27Å; T154-H158 VanDerWaalsContact O-CD2 3.27Å; S155-H158 PolarHBondContact O-N 2.93Å; E156-H158 PolarHBondContact O-N 2.99Å
159S44.3Very low56.7Low93 Ų93112.8 Ų112.865%0.6563%0.633SS**SBendtrans-86.9-6.7-173.7720000115.3E156E156-S159 PolarHBondContact O-N 3.01Å; E156-S159 PolarHBondContact O-OG 2.96Å
160S41.3Very low53.8Low105 Ų105113.4 Ų113.473%0.73465%0.652SS**SBendtrans-10911.3-163.1-61.80000117.1
161E38.7Very low50.8Low187 Ų187121.9 Ų121.987%0.87469%0.692SS**SBendtrans-119.16.1-172.8-109-175.417800118.3
162D35.3Very low47.7Very low176 Ų176123.5 Ų123.594%0.94171%0.709SS**SBendtrans-128.284.1172.9-94.8-36.5000111.3
163G31.9Very low44.9Very low71 Ų71123.1 Ų123.173%0.73272%0.72SS**SBendtrans-167.822.7-176.900000117.8
164E38.5Very low42.1Very low196 Ų196129.4 Ų129.492%0.91675%0.749SS**  trans-160.164.4165.3-115.1171-144.900112.5
165R33.1Very low39.7Very low265 Ų265135 Ų135100%178%0.777SS**  trans-96.382161-146.9-178.6-149.7179.97.9108.3
166A34.2Very low37.2Very low81 Ų81139 Ų13967%0.66979%0.792SS**  trans-132.5125.5168.700000109.9
167C28.4Very low35.5Very low141 Ų141139.4 Ų139.495%0.95380%0.799SS**SBendtrans81.1114.5-176.4-52.70000113.5
168G24.9Very low33.9Very low69 Ų69142.2 Ų142.271%0.71181%0.814SS**  cis-179.8-179.11600000108.2
169P34.5Very low33.1Very low126 Ų126139.8 Ų139.882%0.81881%0.813SS**  trans-87.4137.3-161.133.5-31.8000112.1
170S33.8Very low32.7Very low126 Ų126141.2 Ų141.288%0.88182%0.823SS**  trans-145.5130.1151.9-74.60000108.8
171E30.8Very low32.2Very low182 Ų182142.7 Ų142.785%0.8582%0.821SS**  trans-73.3148.5-166.9-62164.2145.900111.8
172S27.7Very low31.7Very low115 Ų115141.4 Ų141.480%0.80482%0.815SS**  trans28.2116.9147.858.90000119.5
173S32.1Very low31.5Very low106 Ų106138.3 Ų138.374%0.74181%0.805SS**  trans-146.3121.1130.267.40000109.8L175S173-L175 PolarHBondContact O-N 3.03Å
174E30.9Very low31.4Very low194 Ų194144.6 Ų144.691%0.90781%0.812SS**  trans-48.9122.8165.7-65.6168150.600110
175L34.9Very low30.9Very low144 Ų144138.4 Ų138.475%0.75480%0.801SS**  trans-144.992.5159.9-106.2161.5000106.8S173 N177S173-L175 PolarHBondContact O-N 3.03Å; L175-N177 PolarHBondContact O-N 3.43Å
176D28.9Very low30.7Very low158 Ų158130.1 Ų130.185%0.84579%0.789SS**  trans-54.4115155.4-73.2-44000107.8
177N31.8Very low30.4Very low141 Ų141136.6 Ų136.675%0.75480%0.803SS**  trans-153121.4154-103.8-31.2000110.8L175 S179L175-N177 PolarHBondContact O-N 3.43Å; N177-S179 PolarHBondContact O-N 3.37Å
178D26.8Very low30.4Very low169 Ų169134 Ų13490%0.90479%0.791SS**  trans-39.7111.3164.5-88.3-43.7000112.4
179S32.3Very low30.5Very low90 Ų90138.7 Ų138.763%0.62979%0.794SS**  trans-151.2100.2141.459.60000108.4N177 I181N177-S179 PolarHBondContact O-N 3.37Å; S179-I181 PolarHBondContact O-N 3.29Å
180S35.3Very low30.3Very low124 Ų124142.3 Ų142.387%0.86780%0.8SS**  trans-72.278.216467.10000108.1E182S180-E182 PolarHBondContact O-N 3.12Å
181I32Very low30.2Very low136 Ų136142.3 Ų142.370%0.69779%0.79SS**  trans-71.2100.9157.1-64.6172.7000104.4S179 P183S179-I181 PolarHBondContact O-N 3.29Å; I181-P183 WeakPolarHBondContact O-CD 3.39Å
182E27.9Very low29.9Very low159 Ų159138.7 Ų138.774%0.74379%0.792SS**  trans-70.2109.1172.4-162.8-176.9-152.600107.8S180 F184S180-E182 PolarHBondContact O-N 3.12Å; E182-F184 PolarHBondContact O-N 3.34Å
183P31.9Very low29.8Very low111 Ų111140.1 Ų140.172%0.72179%0.789SS**  trans-84.1108.2178.819.9-4.6000108.5I181 G185I181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-G185 PolarHBondContact O-N 2.63Å
184F29.6Very low29.2Very low204 Ų204140.4 Ų140.490%0.89579%0.791SS**  trans-73.480.8164.8-107-91.6000109.1E182E182-F184 PolarHBondContact O-N 3.34Å
185G27.5Very low28.8Very low66 Ų66139.8 Ų139.868%0.6879%0.786SS**  trans-14093.7171.900000109.2P183P183-G185 PolarHBondContact O-N 2.63Å
186A28.9Very low28.1Very low90 Ų90138.8 Ų138.874%0.74479%0.786SS**  trans-120.663.7175.200000109.5
187F27.2Very low27.8Very low218 Ų218137.5 Ų137.596%0.95679%0.787SS**  trans-149.779.4160.5-72.3-72.9000107
188A28Very low27.3Very low86 Ų86137.9 Ų137.971%0.71179%0.79SS**  trans-135.6129.8170.400000108.3
189H26.9Very low27.1Very low168 Ų168134.8 Ų134.878%0.77878%0.781SS**  trans70.999.3166.5-74.9-79.5000118.9N191H189-N191 PolarHBondContact ND1-OD1 2.95Å
190E31Very low26.6Very low202 Ų202135.7 Ų135.794%0.94479%0.787SS**  trans-129.6126.2133.7-141.9165.6-158.700108.7
191N31.9Very low26.2Very low126 Ų126138 Ų13867%0.67479%0.788SS**  trans-77.9143.4-156.9-74.6-33.7000113.8H189 L193H189-N191 PolarHBondContact ND1-OD1 2.95Å; N191-L193 PolarHBondContact O-N 3.1Å
192A23.5Very low25.9Very low106 Ų106138.3 Ų138.388%0.87679%0.791SS**  trans-62.312216300000111.3
193L27.5Very low25.6Very low145 Ų145136.4 Ų136.476%0.75979%0.785SS**  trans-115.2112.1166.5-80.1169000109.3N191 F195N191-L193 PolarHBondContact O-N 3.1Å; L193-F195 HydrophobicContact CB-CD2 4.45Å; L193-F195 HydrophobicContact CB-CE2 4.39Å; L193-F195 HydrophobicContact CD2-CE2 4.44Å
194S19Very low25.3Very low111 Ų111139.8 Ų139.878%0.77679%0.791SS**  trans-79.2128.216672.50000109.4
195F23.1Very low25Very low181 Ų181137.3 Ų137.379%0.79478%0.783SS**  trans-124.1120.5163.8-88-82.7000110.9L193L193-F195 HydrophobicContact CB-CD2 4.45Å; L193-F195 HydrophobicContact CB-CE2 4.39Å; L193-F195 HydrophobicContact CD2-CE2 4.44Å
196V18.2Very low24.8Very low124 Ų124141.3 Ų141.375%0.75279%0.789SS**  trans-106.7123.4164.4172.10000106.3
197C23.9Very low24.7Very low130 Ų130140.3 Ų140.388%0.87879%0.787SS**  trans-166139.3145.5-101.20000112.2
198N20.9Very low24.5Very low150 Ų150139.2 Ų139.280%0.80279%0.785SS**  trans-90.1161.5-174.6-74.7-31.6000113.4
199S22.1Very low24.6Very low104 Ų104141.9 Ų141.973%0.72779%0.792SS**  trans80109.1143.667.30000122.3
200S21.7Very low24.4Very low108 Ų108145 Ų14576%0.75580%0.797SS**  66.5128.5116.2-38.60000121.7
201I28.4Very low24Very low173 Ų173142.9 Ų142.989%0.88779%0.792SS**  176.5152117.4-83.3152.3000112
202D24Very low23.7Very low143 Ų143143 Ų14377%0.76580%0.803SS**  trans-66.9150-154.2-69.2-57.2000123.8
203L23.1Very low23.8Very low118 Ų118143.4 Ų143.462%0.61880%0.799SS**  trans-5.4138.9135.6-88.1132.8000123.4V407L203-V407 HydrophobicContact CD1-CG1 4.47Å
204Q24Very low24.3Very low182 Ų182142.2 Ų142.285%0.8580%0.8SS**  177.3111.8126.4-108.3-168.6-2.300108.3
205E23.6Very low24.7Very low152 Ų152147.9 Ų147.971%0.7180%0.804SS**  57.6107.569.9-157.9-174.2-167.300116.2
206N24.3Very low24.9Very low150 Ų150145.7 Ų145.780%0.80280%0.801SS**  172.2141.8120.3-103-43.3000116.7
207G27.1Very low25.6Very low69 Ų69146.3 Ų146.371%0.71181%0.805SS**  trans96.394.4146.600000117.5
208Q22.1Very low25.7Very low195 Ų195149 Ų14991%0.91180%0.804SS**  47.1111.774.2-90.1-156.72.400117.1
209V30.1Very low26.3Very low142 Ų142151.8 Ų151.886%0.86181%0.81SS**  trans-167.5106.1134.5179.30000107.1
210R23Very low26.6Very low233 Ų233152.9 Ų152.988%0.87981%0.812SS**  84.1124.481.8-152.3-179.3-165.5178.45.1115.8
211N22Very low26.8Very low159 Ų159154 Ų15485%0.8581%0.809SS**  trans-64.6154.2-172.9-53.3-37.6000116.7
212S25.9Very low26.8Very low128 Ų128153.8 Ų153.890%0.89581%0.81SS**  trans-111.4143.1164-51.80000111.5
213S25.3Very low26.9Very low115 Ų115155 Ų15580%0.80482%0.815SS**  trans-97.1163.5-164.5-173.90000113.3
214P39.1Very low27.2Very low119 Ų119154.1 Ų154.177%0.77382%0.818SS**  trans-101150.5-168.936.5-26.4000114.1
215R27.7Very low27.7Very low230 Ų230151.2 Ų151.287%0.86882%0.815SS**  trans-142.5125.6161.3-90.3-163.1-174.9178.41.1112.6
216D26.3Very low27.9Very low136 Ų136152.1 Ų152.173%0.72782%0.819SS**  trans54111.2136.9-55.7-35.3000120.4
217V32.4Very low28.4Very low137 Ų137152.1 Ų152.183%0.8382%0.819SS**  168.7132.192168.10000109.4
218Q26Very low28.5Very low185 Ų185155.7 Ų155.786%0.86482%0.819SS**  trans-47132.5169.3-69.1165.7-29.800114.4
219K33.2Very low29Very low210 Ų210155.6 Ų155.691%0.91382%0.816SS**  trans-156126.5132.3-138.4172.8-177.6179.70111.5
220V28.8Very low28.7Very low127 Ų127152.3 Ų152.377%0.7781%0.81SS**  trans-67.6136-174.3170.10000112.2
221N26.6Very low28.8Very low131 Ų131151.5 Ų151.570%0.70181%0.809SS**  trans21.4119.3150.5-56.7-9.1000119.2
222N28.2Very low29Very low169 Ų169150.7 Ų150.790%0.90481%0.805SS**  trans-156.7103132.7-89.3-32.3000108.7
223I26.8Very low29.5Very low169 Ų169148.8 Ų148.887%0.86779%0.789SS**  trans-88.8107.3169.2-57.3168.9000106
224S29Very low29.5Very low99 Ų99148.7 Ų148.769%0.69278%0.784SS**  trans-106.2120.7165-176.70000107.8Q226S224-Q226 PolarHBondContact O-N 2.72Å
225P34Very low29.2Very low120 Ų120149.3 Ų149.378%0.77979%0.785SS**  trans-87.7101.2-178.532.8-27.7000109.2
226Q28.6Very low29Very low172 Ų172144 Ų14480%0.80478%0.779SS**  trans-140.4133.6165.8-104.7177.9-0.800111.4S224S224-Q226 PolarHBondContact O-N 2.72Å
227N33.3Very low29.2Very low149 Ų149144.6 Ų144.680%0.79778%0.78SS**  trans77.485.1168.1-70.6-12.1000118.4F229N227-F229 PolarHBondContact O-N 2.76Å
228M30.5Very low28.7Very low145 Ų145146.4 Ų146.471%0.71478%0.777SS**SBendtrans-75.15.8166.7-161.3178.9170.400114.2
229F31.7Very low28.8Very low193 Ų193144.3 Ų144.385%0.84677%0.772SS**  trans-14076.1177.3-68-77000111N227N227-F229 PolarHBondContact O-N 2.76Å
230G25.5Very low28.5Very low72 Ų72142.9 Ų142.974%0.74277%0.769SS**  trans-133.976.3167.600000108.7D232G230-D232 PolarHBondContact O-N 3.3Å
231Y24.6Very low28.5Very low217 Ų217140.6 Ų140.685%0.85177%0.771SS**  trans-80.4105.8165.1-156.9-92.8000106.3P233Y231-P233 HydrophobicContact CD1-CB 4.46Å; Y231-P233 HydrophobicContact CD1-CG 4.25Å; Y231-P233 HydrophobicContact CE1-CB 4.13Å; Y231-P233 HydrophobicContact CE1-CG 4.24Å
232D26.6Very low28.7Very low141 Ų141143.3 Ų143.375%0.75478%0.779SS**  trans-121.1105.6167.1-159.7-4.5000109.1G230 T234G230-D232 PolarHBondContact O-N 3.3Å; D232-T234 PolarHBondContact O-N 2.7Å
233P34.4Very low28.8Very low88 Ų88140 Ų14057%0.57177%0.769SS**  trans-92.391.7-177.134.3-27.6000110Y231Y231-P233 HydrophobicContact CD1-CB 4.46Å; Y231-P233 HydrophobicContact CD1-CG 4.25Å; Y231-P233 HydrophobicContact CE1-CB 4.13Å; Y231-P233 HydrophobicContact CE1-CG 4.24Å
234T26.8Very low28.9Very low113 Ų113139.8 Ų139.869%0.69377%0.768SS**  trans178.8115.9156.312.10000105D232D232-T234 PolarHBondContact O-N 2.7Å
235V31.5Very low29.2Very low132 Ų132141.8 Ų141.880%0.877%0.77SS**  -157.5125.690.5171.60000109.4I237V235-I237 HydrophobicContact CG1-CG1 4.39Å
236T23.8Very low29Very low119 Ų119144.6 Ų144.673%0.7377%0.773SS**  trans-72.7119171.2-42.70000111
237I31.1Very low29.7Very low148 Ų148145.1 Ų145.176%0.75977%0.773SS**  trans-150.7101151-54.7-176.1000110.8V235V235-I237 HydrophobicContact CG1-CG1 4.39Å
238F22.6Very low30.3Very low176 Ų176143.4 Ų143.477%0.77276%0.764SS**  trans46.6144131.3-82.6-93.2000124.2
239N28.2Very low31.5Very low140 Ų140142.6 Ų142.675%0.74976%0.762SS**  trans98.3131.2161.5-59.2-14.6000115.1
240E26.3Very low32.4Very low181 Ų181137.3 Ų137.385%0.84675%0.746SS**  cis-171.1132.4-8.6-166.4168.5-169.200104.9
241G27.7Very low33.9Very low79 Ų79136.6 Ų136.681%0.81473%0.729SS**  trans51.874.515700000120.2
242E31.2Very low35.7Very low187 Ų187130 Ų13087%0.87472%0.715SS**  trans-148.1133.1146.3-129.8172.6-167.500108.8I244E242-I244 PolarHBondContact O-N 2.74Å; E242-I244 VanDerWaalsContact O-N 3.13Å
243S30.3Very low37.5Very low100 Ų100128.1 Ų128.170%0.69970%0.704SS**  trans-50.6122-16859.40000111.2L245S243-L245 PolarHBondContact O-N 3.38Å
244I30.3Very low38.7Very low165 Ų165128.1 Ų128.185%0.84670%0.699SS**  trans-71.567.1162.9-51172.2000106.5E242 Q246E242-I244 PolarHBondContact O-N 2.74Å; E242-I244 VanDerWaalsContact O-N 3.13Å; I244-Q246 PolarHBondContact O-N 3.04Å
245L33.8Very low40.3Very low140 Ų140126.4 Ų126.473%0.73369%0.691SS**  trans-53.3117.4147.4-122.1146.9000103.1S243 K247S243-L245 PolarHBondContact O-N 3.38Å; L245-K247 PolarHBondContact O-N 3.47Å
246Q31.2Very low42.2Very low179 Ų179125.5 Ų125.584%0.83668%0.679SS**  trans-5285.5171.5-86.4179.6-38.200107.6I244 D248I244-Q246 PolarHBondContact O-N 3.04Å; Q246-D248 PolarHBondContact O-N 3.08Å
247K43.1Very low44.2Very low184 Ų184124.3 Ų124.380%0.867%0.667SS**  trans-74.7104.6-179.7-168.5174.3-174.6174.90103.6L245 N249L245-K247 PolarHBondContact O-N 3.47Å; K247-N249 VanDerWaalsContact C-N 3.35Å; K247-N249 PolarHBondContact O-N 2.75Å
248D46.2Very low45.9Very low113 Ų113125 Ų12560%0.60466%0.664SS**  trans-28.597-179.9-71.2-46.2000110.9Q246 T250 S251Q246-D248 PolarHBondContact O-N 3.08Å; D248-T250 PolarHBondContact O-N 3.29Å; D248-T250 VanDerWaalsContact O-N 3.09Å; D248-S251 PolarHBondContact O-N 3.35Å; D248-S251 PolarHBondContact O-OG 3.38Å
249N53.9Low48.3Very low128 Ų128120.8 Ų120.868%0.68465%0.654SS**Hα-helixtrans-58.9-19.8179.747.93.8000111.4K247 L253K247-N249 VanDerWaalsContact C-N 3.35Å; K247-N249 PolarHBondContact O-N 2.75Å; N249-L253 VanDerWaalsContact O-CB 3.32Å; N249-L253 WeakPolarHBondContact O-CB 3.42Å; N249-L253 PolarHBondContact O-N 2.63Å
250T51.4Low50.3Low82 Ų82117.9 Ų117.950%0.50364%0.638SS.*Hα-helixtrans-61.9-39.8171.459.40000112.3D248 L253 L254D248-T250 PolarHBondContact O-N 3.29Å; D248-T250 VanDerWaalsContact O-N 3.09Å; T250-L253 PolarHBondContact O-N 2.77Å; T250-L254 VanDerWaalsContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CB 2.85Å; T250-L254 WeakPolarHBondContact O-CG 3.41Å; T250-L254 PolarHBondContact O-N 3.13Å
251S56.8Low52.2Low57 Ų57112 Ų11240%0.39962%0.62SS.*Hα-helixtrans-66.7-45.4179.667.30000111.8D248 L253 L254 S255D248-S251 PolarHBondContact O-N 3.35Å; D248-S251 PolarHBondContact O-OG 3.38Å; S251-L253 PolarHBondContact O-N 3.2Å; S251-L254 PolarHBondContact O-N 3.1Å; S251-S255 WeakPolarHBondContact O-CB 3.15Å; S251-S255 PolarHBondContact O-N 3.44Å; S251-S255 PolarHBondContact O-OG 2.93Å
252S62.8Low53.9Low78 Ų78110.2 Ų110.255%0.54560%0.598SS.*Hα-helixtrans-63.8-41.2176.1-174.50000111.6Q256S252-Q256 VanDerWaalsContact O-CB 3.28Å; S252-Q256 WeakPolarHBondContact O-CB 3.41Å; S252-Q256 PolarHBondContact O-N 2.88Å
253L63.3Low55.8Low101 Ų101103.8 Ų103.853%0.52958%0.577SS.*Hα-helixtrans-66.1-44.8177.6-176.368.6000111.2N249 T250 S251 Q256 I257N249-L253 VanDerWaalsContact O-CB 3.32Å; N249-L253 WeakPolarHBondContact O-CB 3.42Å; N249-L253 PolarHBondContact O-N 2.63Å; T250-L253 PolarHBondContact O-N 2.77Å; S251-L253 PolarHBondContact O-N 3.2Å; L253-Q256 PolarHBondContact O-N 2.99Å; L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD2-CD1 4.46Å; L253-I257 HydrophobicContact CG-CD1 3.89Å; L253-I257 HydrophobicContact CG-CG1 4.5Å; L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 VanDerWaalsContact O-CG1 3.22Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.69Å
254L59.9Low57.6Low89 Ų89103.2 Ų103.247%0.46657%0.566SS.*Hα-helixtrans-63.5-46.2177.4-75.9170.5000111.4T250 S251 Q256 I257 F258T250-L254 VanDerWaalsContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CB 2.85Å; T250-L254 WeakPolarHBondContact O-CG 3.41Å; T250-L254 PolarHBondContact O-N 3.13Å; S251-L254 PolarHBondContact O-N 3.1Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 3.17Å; L254-I257 PolarHBondContact O-N 3.36Å; L254-F258 WeakPolarHBondContact O-CB 3.38Å; L254-F258 PolarHBondContact O-N 2.66Å
255S62.1Low59.3Low76 Ų76102.4 Ų102.453%0.53156%0.556SS.*Hα-helixtrans-58.9-39.9174-68.70000111.6S251 F258 T259S251-S255 WeakPolarHBondContact O-CB 3.15Å; S251-S255 PolarHBondContact O-N 3.44Å; S251-S255 PolarHBondContact O-OG 2.93Å; S255-F258 PolarHBondContact O-N 3.4Å; S255-T259 VanDerWaalsContact O-CB 3.23Å; S255-T259 WeakPolarHBondContact O-CB 3.48Å; S255-T259 PolarHBondContact O-N 2.94Å; S255-T259 PolarHBondContact O-OG1 2.84Å
256Q70Confident61Low113 Ų113101 Ų10153%0.52855%0.549SS..Hα-helixtrans-69.6-40.8177.6-167.9168.417.600112.4S252 L253 L254 T259 N260S252-Q256 VanDerWaalsContact O-CB 3.28Å; S252-Q256 WeakPolarHBondContact O-CB 3.41Å; S252-Q256 PolarHBondContact O-N 2.88Å; L253-Q256 PolarHBondContact O-N 2.99Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 3.17Å; Q256-T259 PolarHBondContact O-N 2.98Å; Q256-N260 VanDerWaalsContact O-CB 3.26Å; Q256-N260 WeakPolarHBondContact O-CB 3.45Å; Q256-N260 PolarHBondContact O-N 2.76Å; Q256-N260 PolarHBondContact O-ND2 2.87Å
257I66.1Low62.8Low95 Ų9595.9 Ų95.949%0.48753%0.533SS..Hα-helixtrans-61.3-46.5173.9-69.7164.8000110.1L253 L254 N260 A261L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD2-CD1 4.46Å; L253-I257 HydrophobicContact CG-CD1 3.89Å; L253-I257 HydrophobicContact CG-CG1 4.5Å; L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 VanDerWaalsContact O-CG1 3.22Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.69Å; L254-I257 PolarHBondContact O-N 3.36Å; I257-N260 PolarHBondContact O-N 3.33Å; I257-A261 VanDerWaalsContact O-CB 3.3Å; I257-A261 WeakPolarHBondContact O-CB 3.44Å; I257-A261 PolarHBondContact O-N 2.9Å
258F65.8Low63.9Low161 Ų16192.2 Ų92.271%0.70652%0.522SS*.Hα-helixtrans-66.2-42.9-179-146.6-85.4000111.3L254 S255 A261 A262L254-F258 WeakPolarHBondContact O-CB 3.38Å; L254-F258 PolarHBondContact O-N 2.66Å; S255-F258 PolarHBondContact O-N 3.4Å; F258-A261 PolarHBondContact O-N 2.84Å; F258-A262 VanDerWaalsContact O-CB 3.24Å; F258-A262 WeakPolarHBondContact O-CB 3.37Å; F258-A262 PolarHBondContact O-N 3.38Å
259T74.7Confident64.7Low89 Ų8993.3 Ų93.355%0.54652%0.519SS..Hα-helixtrans-63.8-42.6176.8-54.70000111S255 Q256 A263S255-T259 VanDerWaalsContact O-CB 3.23Å; S255-T259 WeakPolarHBondContact O-CB 3.48Å; S255-T259 PolarHBondContact O-N 2.94Å; S255-T259 PolarHBondContact O-OG1 2.84Å; Q256-T259 PolarHBondContact O-N 2.98Å; T259-A263 WeakPolarHBondContact O-CB 3.35Å; T259-A263 PolarHBondContact O-N 2.84Å
260N69.9Low65.5Low79 Ų7993 Ų9342%0.42251%0.511SS..Hα-helixtrans-67.5-41.4176.8-73.5-13.6000112.3Q256 I257 A263 N264Q256-N260 VanDerWaalsContact O-CB 3.26Å; Q256-N260 WeakPolarHBondContact O-CB 3.45Å; Q256-N260 PolarHBondContact O-N 2.76Å; Q256-N260 PolarHBondContact O-ND2 2.87Å; I257-N260 PolarHBondContact O-N 3.33Å; N260-A263 PolarHBondContact O-N 3.37Å; N260-N264 WeakPolarHBondContact O-CB 3.49Å; N260-N264 VanDerWaalsContact O-CG 3.28Å; N260-N264 PolarHBondContact O-N 2.86Å; N260-N264 PolarHBondContact O-ND2 3.33Å
261A65.9Low66Low57 Ų5793.8 Ų93.847%0.47151%0.509SS..Hα-helixtrans-65.1-43.7176.800000111.4I257 F258 N264 F265I257-A261 VanDerWaalsContact O-CB 3.3Å; I257-A261 WeakPolarHBondContact O-CB 3.44Å; I257-A261 PolarHBondContact O-N 2.9Å; F258-A261 PolarHBondContact O-N 2.84Å; A261-N264 PolarHBondContact O-N 3.48Å; A261-F265 WeakPolarHBondContact O-CB 3.02Å; A261-F265 PolarHBondContact O-N 3.38Å
262A63Low66.2Low41 Ų4195.4 Ų95.434%0.33951%0.513SS..Hα-helixtrans-64-43.9175.100000111.5F258 N264 F265 L266F258-A262 VanDerWaalsContact O-CB 3.24Å; F258-A262 WeakPolarHBondContact O-CB 3.37Å; F258-A262 PolarHBondContact O-N 3.38Å; A262-N264 PolarHBondContact O-N 3.48Å; A262-F265 PolarHBondContact O-N 3Å; A262-L266 VanDerWaalsContact O-CB 3.32Å; A262-L266 WeakPolarHBondContact O-CB 3.38Å; A262-L266 VanDerWaalsContact O-CG 3.25Å; A262-L266 WeakPolarHBondContact O-CG 3.27Å; A262-L266 PolarHBondContact O-N 2.99Å
263A70.6Confident66.2Low52 Ų5297 Ų9743%0.4351%0.514SS..Hα-helixtrans-61.7-42.4175.900000111.9T259 N260 L266 S267T259-A263 WeakPolarHBondContact O-CB 3.35Å; T259-A263 PolarHBondContact O-N 2.84Å; N260-A263 PolarHBondContact O-N 3.37Å; A263-L266 PolarHBondContact O-N 3.24Å; A263-S267 WeakPolarHBondContact O-CB 3.42Å; A263-S267 PolarHBondContact O-N 3.42Å
264N69.2Low66.4Low88 Ų8897.8 Ų97.847%0.47152%0.515SS..Hα-helixtrans-65.3-43.5175.3-77.2-16.7000111.9N260 A261 A262 S267 N268N260-N264 WeakPolarHBondContact O-CB 3.49Å; N260-N264 VanDerWaalsContact O-CG 3.28Å; N260-N264 PolarHBondContact O-N 2.86Å; N260-N264 PolarHBondContact O-ND2 3.33Å; A261-N264 PolarHBondContact O-N 3.48Å; A262-N264 PolarHBondContact O-N 3.48Å; N264-S267 PolarHBondContact O-N 3.02Å; N264-N268 WeakPolarHBondContact O-CB 3.46Å; N264-N268 VanDerWaalsContact O-CG 3.23Å; N264-N268 PolarHBondContact O-N 2.99Å; N264-N268 PolarHBondContact O-ND2 3.29Å
265F65.3Low65.9Low148 Ų14896.3 Ų96.365%0.64951%0.508SS*.Hα-helixtrans-63.7-44.8177.9-165.2-88.8000111.3A261 A262 N268 Y269A261-F265 WeakPolarHBondContact O-CB 3.02Å; A261-F265 PolarHBondContact O-N 3.38Å; A262-F265 PolarHBondContact O-N 3Å; F265-N268 PolarHBondContact O-N 2.75Å; F265-Y269 VanDerWaalsContact O-CB 3.27Å; F265-Y269 WeakPolarHBondContact O-CB 3.4Å; F265-Y269 PolarHBondContact O-N 2.92Å
266L69.3Low65.4Low112 Ų11297 Ų9759%0.58651%0.51SS*.Hα-helixtrans-66.8-36.2176.4-71.3170.6000112.1A262 A263 Y269 K270A262-L266 VanDerWaalsContact O-CB 3.32Å; A262-L266 WeakPolarHBondContact O-CB 3.38Å; A262-L266 VanDerWaalsContact O-CG 3.25Å; A262-L266 WeakPolarHBondContact O-CG 3.27Å; A262-L266 PolarHBondContact O-N 2.99Å; A263-L266 PolarHBondContact O-N 3.24Å; L266-Y269 PolarHBondContact O-N 3.35Å; L266-K270 WeakPolarHBondContact O-CB 3.26Å; L266-K270 PolarHBondContact O-N 3.34Å
267S70.3Confident64.7Low70 Ų7096.2 Ų96.249%0.4952%0.517SS..Hα-helixtrans-66.7-43.1174.2-173.40000111.5A263 N264 Y269 K270 H271A263-S267 WeakPolarHBondContact O-CB 3.42Å; A263-S267 PolarHBondContact O-N 3.42Å; N264-S267 PolarHBondContact O-N 3.02Å; S267-Y269 VanDerWaalsContact C-N 3.35Å; S267-K270 PolarHBondContact O-N 3.47Å; S267-H271 VanDerWaalsContact O-CB 3.3Å; S267-H271 WeakPolarHBondContact O-CB 3.37Å; S267-H271 PolarHBondContact O-N 2.86Å
268N66.5Low63.9Low108 Ų10897.1 Ų97.158%0.57852%0.522SS*.Hα-helixtrans-65-40.9175.3-72.6-13.7000111.2N264 F265 H271 L272N264-N268 WeakPolarHBondContact O-CB 3.46Å; N264-N268 VanDerWaalsContact O-CG 3.23Å; N264-N268 PolarHBondContact O-N 2.99Å; N264-N268 PolarHBondContact O-ND2 3.29Å; F265-N268 PolarHBondContact O-N 2.75Å; N268-H271 PolarHBondContact O-N 2.94Å; N268-L272 PolarHBondContact O-N 3.1Å
269Y62.4Low62.6Low135 Ų13592.7 Ų92.753%0.52951%0.511SS..Hα-helixtrans-66.7-42.8176.9-168.2-106.8000111.7F265 L266 S267 H271 L272 I273F265-Y269 VanDerWaalsContact O-CB 3.27Å; F265-Y269 WeakPolarHBondContact O-CB 3.4Å; F265-Y269 PolarHBondContact O-N 2.92Å; L266-Y269 PolarHBondContact O-N 3.35Å; S267-Y269 VanDerWaalsContact C-N 3.35Å; Y269-H271 VanDerWaalsContact C-N 3.35Å; Y269-L272 WeakPolarHBondContact O-CB 3.37Å; Y269-L272 PolarHBondContact O-N 3.48Å; Y269-I273 HydrophobicContact CD1-CD1 3.62Å; Y269-I273 HydrophobicContact CD1-CG1 4.46Å; Y269-I273 HydrophobicContact CE1-CD1 3.31Å; Y269-I273 HydrophobicContact CE1-CG1 4.25Å; Y269-I273 WeakPolarHBondContact O-CG1 3.49Å; Y269-I273 PolarHBondContact O-N 3.45Å
270K70.2Confident60.6Low121 Ų12194 Ų9453%0.52651%0.514SS..Hα-helixtrans-60-44.8172.3-178.6179.4174-175.70111L266 S267 L272 I273 E274L266-K270 WeakPolarHBondContact O-CB 3.26Å; L266-K270 PolarHBondContact O-N 3.34Å; S267-K270 PolarHBondContact O-N 3.47Å; K270-L272 VanDerWaalsContact C-N 3.28Å; K270-L272 PolarHBondContact O-N 2.88Å; K270-I273 PolarHBondContact O-N 3.18Å; K270-I273 VanDerWaalsContact O-N 3.16Å; K270-E274 WeakPolarHBondContact CE-OE1 3.43Å; K270-E274 WeakPolarHBondContact CE-OE2 3.22Å; K270-E274 HydrophobicContact CG-CG 4.24Å; K270-E274 IonicContact NZ-OE1 3.88Å; K270-E274 WeakPolarHBondContact O-CB 3.49Å; K270-E274 WeakPolarHBondContact O-CG 3.34Å; K270-E274 PolarHBondContact O-N 2.97Å
271H62.4Low59.2Low99 Ų9997 Ų9746%0.45853%0.527SS..Hα-helixtrans-62.7-34.9176.2-170-84.8000112.3S267 N268 Y269 N275 L278S267-H271 VanDerWaalsContact O-CB 3.3Å; S267-H271 WeakPolarHBondContact O-CB 3.37Å; S267-H271 PolarHBondContact O-N 2.86Å; N268-H271 PolarHBondContact O-N 2.94Å; Y269-H271 VanDerWaalsContact C-N 3.35Å; H271-N275 PolarHBondContact CE1-ND2 3.41Å; H271-N275 PolarHBondContact NE2-ND2 3.31Å; H271-N275 VanDerWaalsContact O-CB 3.31Å; H271-N275 WeakPolarHBondContact O-CB 3.25Å; H271-N275 PolarHBondContact O-N 3.31Å; H271-N275 PolarHBondContact O-ND2 3.01Å; H271-L278 VanDerWaalsContact CE1-CD1 3.49Å; H271-L278 WeakPolarHBondContact CE1-CD1 3.32Å
272L60.2Low57.6Low92 Ų92101.7 Ų101.748%0.48255%0.545SS..Hα-helixtrans-67.2-40173.7-124.596.1000112.2N268 Y269 K270 N275N268-L272 PolarHBondContact O-N 3.1Å; Y269-L272 WeakPolarHBondContact O-CB 3.37Å; Y269-L272 PolarHBondContact O-N 3.48Å; K270-L272 VanDerWaalsContact C-N 3.28Å; K270-L272 PolarHBondContact O-N 2.88Å; L272-N275 CarbonylContact O-C 3.35Å
273I63.2Low56.2Low110 Ų110102.5 Ų102.556%0.56456%0.557SS**Hα-helixtrans-71.2-41.9177.7-69.1171.1000111.1Y269 K270Y269-I273 HydrophobicContact CD1-CD1 3.62Å; Y269-I273 HydrophobicContact CD1-CG1 4.46Å; Y269-I273 HydrophobicContact CE1-CD1 3.31Å; Y269-I273 HydrophobicContact CE1-CG1 4.25Å; Y269-I273 WeakPolarHBondContact O-CG1 3.49Å; Y269-I273 PolarHBondContact O-N 3.45Å; K270-I273 PolarHBondContact O-N 3.18Å; K270-I273 VanDerWaalsContact O-N 3.16Å
274E67.1Low54.5Low119 Ų119106.5 Ų106.556%0.55657%0.57SS**Hα-helixtrans-75.8-24.7-178.2-71.1179.4163.100112.4K270 P276K270-E274 WeakPolarHBondContact CE-OE1 3.43Å; K270-E274 WeakPolarHBondContact CE-OE2 3.22Å; K270-E274 HydrophobicContact CG-CG 4.24Å; K270-E274 IonicContact NZ-OE1 3.88Å; K270-E274 WeakPolarHBondContact O-CB 3.49Å; K270-E274 WeakPolarHBondContact O-CG 3.34Å; K270-E274 PolarHBondContact O-N 2.97Å; E274-P276 VanDerWaalsContact O-CD 3.27Å; E274-P276 WeakPolarHBondContact O-CD 3.16Å
275N50.4Low52.5Low58 Ų58113.1 Ų113.131%0.3159%0.589SS.*  trans-118.569.8175.6-58.4-78.8000111.4H271 L272 S277 L278H271-N275 PolarHBondContact CE1-ND2 3.41Å; H271-N275 PolarHBondContact NE2-ND2 3.31Å; H271-N275 VanDerWaalsContact O-CB 3.31Å; H271-N275 WeakPolarHBondContact O-CB 3.25Å; H271-N275 PolarHBondContact O-N 3.31Å; H271-N275 PolarHBondContact O-ND2 3.01Å; L272-N275 CarbonylContact O-C 3.35Å; N275-S277 PolarHBondContact O-N 3.44Å; N275-L278 HydrophobicContact CB-CD1 3.8Å; N275-L278 HydrophobicContact CB-CG 4.15Å; N275-L278 WeakPolarHBondContact O-CB 3.47Å; N275-L278 PolarHBondContact O-N 2.98Å
276P51.1Low50.8Low90 Ų90113.6 Ų113.658%0.58459%0.593SS**G310 helixtrans-61.9-16.2177.825.8-33.2000112.9E274 L278 C279E274-P276 VanDerWaalsContact O-CD 3.27Å; E274-P276 WeakPolarHBondContact O-CD 3.16Å; P276-L278 VanDerWaalsContact C-N 3.27Å; P276-L278 PolarHBondContact O-N 3.37Å; P276-C279 CarbonylContact O-C 3.38Å; P276-C279 WeakPolarHBondContact O-CA 3.44Å; P276-C279 WeakPolarHBondContact O-CB 3.32Å; P276-C279 PolarHBondContact O-N 3.44Å
277S54.3Low48.8Very low96 Ų96113.4 Ų113.467%0.67160%0.602SS**G310 helixtrans-66-22.8172.853.70000114.3N275 C279 N280N275-S277 PolarHBondContact O-N 3.44Å; S277-C279 PolarHBondContact O-N 3.39Å; S277-N280 PolarHBondContact O-N 3.09Å
278L49.2Very low46.9Very low114 Ų114117 Ų11760%0.59762%0.615SS**G310 helixtrans-70.7-24.4170.7-69.4169.5000111.7H271 N275 P276 N280H271-L278 VanDerWaalsContact CE1-CD1 3.49Å; H271-L278 WeakPolarHBondContact CE1-CD1 3.32Å; N275-L278 HydrophobicContact CB-CD1 3.8Å; N275-L278 HydrophobicContact CB-CG 4.15Å; N275-L278 WeakPolarHBondContact O-CB 3.47Å; N275-L278 PolarHBondContact O-N 2.98Å; P276-L278 VanDerWaalsContact C-N 3.27Å; P276-L278 PolarHBondContact O-N 3.37Å; L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 3.27Å
279C40.3Very low45.2Very low69 Ų69117.5 Ų117.547%0.46662%0.623SS.*SBendtrans-89.667.1164.9-69.50000108.9P276 S277 M281P276-C279 CarbonylContact O-C 3.38Å; P276-C279 WeakPolarHBondContact O-CA 3.44Å; P276-C279 WeakPolarHBondContact O-CB 3.32Å; P276-C279 PolarHBondContact O-N 3.44Å; S277-C279 PolarHBondContact O-N 3.39Å; C279-M281 PolarHBondContact O-N 3.42Å
280N32.5Very low43.6Very low115 Ų115118.2 Ų118.262%0.61564%0.636SS**  trans-70.176170.8-155.74.8000109.7S277 L278 N282S277-N280 PolarHBondContact O-N 3.09Å; L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 3.27Å; N280-N282 VanDerWaalsContact C-N 3.28Å
281M38.9Very low41.7Very low143 Ų143116.1 Ų116.170%0.70465%0.648SS**  trans-88.41.7168.2-78.8-70.4-172.100111.5C279 G283C279-M281 PolarHBondContact O-N 3.42Å; M281-G283 PolarHBondContact O-N 2.95Å
282N33.3Very low40Very low156 Ų156116.4 Ų116.483%0.83466%0.661SS**THydrogen-bonded Turntrans-81.863178.7-74.70.2000111.5N280N280-N282 VanDerWaalsContact C-N 3.28Å
283G33.2Very low38.7Very low57 Ų57123.1 Ų123.159%0.58868%0.682SS**THydrogen-bonded Turntrans-152.3-0.1170.500000115.5M281M281-G283 PolarHBondContact O-N 2.95Å
284I34.5Very low37.1Very low137 Ų137126.3 Ų126.370%0.70369%0.692SS**SBendtrans-105.6-8.5-173.5-56.7-179.4000113.4
285Y28.5Very low35.1Very low226 Ų226128.1 Ų128.189%0.88671%0.705SS**  trans-109.376.8171.6-75.3-82.1000111.6
286H29.1Very low34.1Very low158 Ų158133.2 Ų133.273%0.73173%0.732SS**  trans-84.5102.3151-82.3-74.3000107.8D288H286-D288 PolarHBondContact O-N 3.05Å
287S28.2Very low33.1Very low109 Ų109135.8 Ų135.876%0.76274%0.74SS**  trans-7992.4158.939.20000108.3
288D30.4Very low32Very low144 Ų144139.5 Ų139.577%0.7775%0.747SS**  trans-98.290.3163.2-76.7-24.6000108.4H286H286-D288 PolarHBondContact O-N 3.05Å
289T30.7Very low30.8Very low120 Ų120141.5 Ų141.574%0.73676%0.759SS**  trans-77.6141.5148.4-29.70000106.7
290D28.7Very low30.2Very low150 Ų150144.1 Ų144.180%0.80278%0.778SS**  trans90.964.7172.2-57.2-20.7000119.3
291G29.9Very low29.9Very low77 Ų77142.4 Ų142.479%0.79479%0.787SS**  trans-85.187.1140.700000110.6Y293G291-Y293 PolarHBondContact O-N 2.76Å
292S26.8Very low29.4Very low104 Ų104145.1 Ų145.173%0.72780%0.798SS**  trans-67121.6167.868.80000110.4K294S292-K294 PolarHBondContact O-N 3.31Å
293Y32.2Very low29.1Very low233 Ų233143.8 Ų143.891%0.91480%0.795SS**  trans-77.3105.8158.5-90.2-89000108G291 N295G291-Y293 PolarHBondContact O-N 2.76Å; Y293-N295 PolarHBondContact O-N 3.36Å
294K28.7Very low29Very low177 Ų177148.9 Ų148.977%0.7781%0.808SS**  trans-54.7118.1154.6-75-177.8173.7-179.30108.9S292S292-K294 PolarHBondContact O-N 3.31Å
295N26.9Very low28.5Very low158 Ų158148.2 Ų148.285%0.84581%0.81SS**  trans-131.8104.9138.5-103.2-20.4000107Y293Y293-N295 PolarHBondContact O-N 3.36Å
296L28.8Very low28.6Very low165 Ų165147 Ų14786%0.86481%0.812SS**  trans-80.9104.2153.4-89151.1000105.4
297D29.7Very low28.6Very low144 Ų144147.5 Ų147.577%0.7782%0.815SS**  trans-149.4117.5151.8-102-21000108.4
298E30.5Very low28.8Very low174 Ų174150.7 Ų150.781%0.81382%0.823SS**  trans47.1103.5151.4-55.4-163.2152.600122.9
299N25.7Very low28.5Very low156 Ų156150.5 Ų150.583%0.83482%0.822SS**  52.8100.3122.2-79.8-14.4000121
300S27.5Very low28.5Very low124 Ų124150 Ų15087%0.86782%0.823SS**  -174.4128.1108.645.10000111.7
301G25.1Very low28.3Very low78 Ų78150.9 Ų150.980%0.80483%0.828SS**  trans96.8112.1147.200000119.1
302E29.5Very low28.3Very low201 Ų201150.4 Ų150.494%0.93982%0.823SS**  trans100.8121.2134.9-146163.7-161.100119.2
303V26.1Very low28.2Very low127 Ų127151.6 Ų151.677%0.7783%0.826SS**  trans-83.7135-177165.80000109.3
304L31.6Very low28Very low164 Ų164146 Ų14686%0.85982%0.821SS**  trans-162.9131.4137-93.9-179.7000110.7
305T24.7Very low27.9Very low124 Ų124141.5 Ų141.576%0.76181%0.812SS**  trans-55143.1170.135.60000116
306E30.8Very low27.9Very low199 Ų199138.2 Ų138.293%0.9380%0.801SS**  -171.7140.6112.9-127.3176-17800112.1
307E27.4Very low27.7Very low169 Ų169138.5 Ų138.579%0.7979%0.792SS**  trans-81.5152.8179.6-58.2-174.9136.600112.9
308L32.3Very low27.8Very low177 Ų177138.9 Ų138.993%0.92779%0.787SS**  -171.2119.1121.7-106.7148.7000111.6
309N25.9Very low27.5Very low140 Ų140135.5 Ų135.575%0.74978%0.778SS**  trans-64.3151.4174.5-70-50.2000113.2
310S29.1Very low27.6Very low109 Ų109134.6 Ų134.676%0.76277%0.773SS**  155.5122.4104.653.10000114.6
311N26Very low27.8Very low169 Ų169132.7 Ų132.790%0.90477%0.765SS**  trans31.6136.9132.1-67.7-8.8000122.3
312G28.2Very low27.9Very low66 Ų66133 Ų13368%0.6876%0.755SS**  trans154.662.6150.900000114.2
313T26.2Very low27.8Very low130 Ų130130.6 Ų130.680%0.79874%0.741SS**  43.8119.3105.249.80000118.1
314S26.7Very low28Very low114 Ų114131.7 Ų131.780%0.79774%0.743SS**  89.8141.2120.9-76.50000121.6
315S28.3Very low27.9Very low84 Ų84132 Ų13259%0.58774%0.744SS**  trans97.597.1137.2-165.20000113.7Y317S315-Y317 WeakPolarHBondContact OG-CD2 3.28Å
316S25.3Very low27.8Very low88 Ų88134.4 Ų134.462%0.61575%0.747SS**  49.7125.779.272.90000112.3
317Y25.6Very low27.5Very low171 Ų171131.9 Ų131.967%0.67174%0.74SS**  166.4149.5114.1-92.6-77.1000111.6S315S315-Y317 WeakPolarHBondContact OG-CD2 3.28Å
318F32.2Very low27.5Very low153 Ų153129 Ų12967%0.67174%0.735SS**  trans9395.8161.3-53.9-64.1000113.8
319T22.9Very low27.2Very low102 Ų102126.3 Ų126.363%0.62673%0.727SS**  cis51.1131.136.8-2.10000113.3
320D27.5Very low27.2Very low137 Ų137126.2 Ų126.273%0.73373%0.726SS**  trans76.5134.2169.6-50-37.1000114.3
321A32.3Very low27.7Very low85 Ų85129.6 Ų129.670%0.70273%0.73SS**  cis-150.6125.322.100000107.4
322S28Very low28Very low84 Ų84128.4 Ų128.459%0.58772%0.723SS**  57.296.383.9-46.50000109.3N324S322-N324 VanDerWaalsContact C-N 3.26Å; S322-N324 PolarHBondContact O-N 3.17Å
323K25.9Very low28.1Very low150 Ų150131.6 Ų131.665%0.65273%0.725SS**  3068.975.5-72.9-176.7-176.7168.60111S363K323-S363 PolarHBondContact NZ-OG 3.03Å
324N30.3Very low28.1Very low150 Ų150133.5 Ų133.580%0.80273%0.727SS**  trans-102.897.1140.7-76.9-45.2000106.3S322S322-N324 VanDerWaalsContact C-N 3.26Å; S322-N324 PolarHBondContact O-N 3.17Å
325L29.5Very low28.3Very low170 Ų170136.5 Ų136.589%0.8973%0.726SS**  175.9104.7121.9-135.168.8000108.2
326E23.4Very low28.1Very low176 Ų176142.7 Ų142.782%0.82274%0.738SS**  trans-73.8142.9171.4-75.9-175.7148.200111.6
327L24.5Very low28.3Very low146 Ų146145.4 Ų145.476%0.76474%0.744SS**  trans74.2151.1157.9-89.889.3000120.4
328P26.9Very low28.3Very low108 Ų108142.2 Ų142.270%0.70174%0.744SS**  cis-121.6148.89.534.1-16.6000115.6N330P328-N330 PolarHBondContact O-N 2.68Å
329T26.6Very low28Very low121 Ų121140.9 Ų140.974%0.74275%0.754SS**  trans-54.197.1161.935.40000110.6
330N27Very low28.3Very low138 Ų138141.9 Ų141.974%0.73876%0.76SS**  trans-89.8102.4162-125.9-7.7000106.9P328 D332P328-N330 PolarHBondContact O-N 2.68Å; N330-D332 PolarHBondContact O-N 3.08Å; N330-D332 VanDerWaalsContact O-N 3.12Å
331E38.2Very low28.8Very low179 Ų179140.8 Ų140.884%0.83676%0.763SS**THydrogen-bonded Turntrans-70.65.3-178.7-68.2-15115100114.1
332D33.1Very low28.7Very low144 Ų144143.6 Ų143.677%0.7777%0.766SS**THydrogen-bonded Turntrans-90.23.2-174.6-75.8-26.5000115.9N330 M334N330-D332 PolarHBondContact O-N 3.08Å; N330-D332 VanDerWaalsContact O-N 3.12Å; D332-M334 PolarHBondContact O-N 3.21Å; D332-M334 VanDerWaalsContact O-N 3.1Å
333N29.1Very low29.3Very low134 Ų134151.2 Ų151.272%0.71778%0.782SS**  trans-89.161.2168.5-75.5-16.3000111.1F335N333-F335 HydrophobicContact CB-CD2 4.23Å; N333-F335 HydrophobicContact CB-CE2 4.12Å; N333-F335 PolarHBondContact O-N 3.31Å
334M27Very low30Very low169 Ų169148.2 Ų148.283%0.83378%0.78SS**  trans-65.984.4162.3-162.4-179.7-165.500107.7D332 Y336D332-M334 PolarHBondContact O-N 3.21Å; D332-M334 VanDerWaalsContact O-N 3.1Å; M334-Y336 PolarHBondContact O-N 2.85Å
335F30.6Very low30.6Very low177 Ų177147.8 Ų147.878%0.77678%0.777SS**  trans-60.6106.3174.8-90.4-87.7000108.7N333 I337N333-F335 HydrophobicContact CB-CD2 4.23Å; N333-F335 HydrophobicContact CB-CE2 4.12Å; N333-F335 PolarHBondContact O-N 3.31Å; F335-I337 PolarHBondContact O-N 3.11Å
336Y25.2Very low30.9Very low214 Ų214143.6 Ų143.684%0.83976%0.761SS**  trans-52.1108.6168.6-99.9-99.8000108.7M334 P338M334-Y336 PolarHBondContact O-N 2.85Å; Y336-P338 WeakPolarHBondContact O-CD 3.43Å
337I29.4Very low31.6Very low145 Ų145140.5 Ų140.574%0.74475%0.75SS**  trans-68.4114.5164.9-60.2174.8000105.5F335 S339F335-I337 PolarHBondContact O-N 3.11Å; I337-S339 PolarHBondContact O-N 3.12Å
338P25.9Very low32.5Very low104 Ų104138 Ų13868%0.67574%0.742SS**  trans-60.1116.6179-20.833.6000108.6Y336 V340Y336-P338 WeakPolarHBondContact O-CD 3.43Å; P338-V340 HydrophobicContact CB-CG2 4.1Å; P338-V340 PolarHBondContact O-N 3.39Å
339S25Very low33.4Very low125 Ų125138.1 Ų138.187%0.87474%0.736SS**  trans-73.480.4175.2-65.50000108.4I337I337-S339 PolarHBondContact O-N 3.12Å
340V29.7Very low34.2Very low124 Ų124137.4 Ų137.475%0.75273%0.727SS**  trans-112.2113.4170.2-156.40000108.1P338 N342P338-V340 HydrophobicContact CB-CG2 4.1Å; P338-V340 PolarHBondContact O-N 3.39Å; V340-N342 PolarHBondContact O-N 3.39Å
341S37.2Very low35Very low114 Ų114135.7 Ų135.780%0.79772%0.718SS**SBendtrans-60.792.3-179-66.90000111.7
342N31.3Very low35.3Very low144 Ų144129 Ų12977%0.7769%0.694SS**  trans-150.379.5154.8-99.6-25.2000109.2V340 S344V340-N342 PolarHBondContact O-N 3.39Å; N342-S344 PolarHBondContact O-N 2.87Å; N342-S344 VanDerWaalsContact O-N 3.09Å
343R39Very low35.9Very low244 Ų244124.8 Ų124.892%0.92168%0.675SS**THydrogen-bonded Turntrans-73.412.2-169.2-97.3-167.2179.2-1632.5116.3
344S42.3Very low36.6Very low87 Ų87125.5 Ų125.561%0.60867%0.672SS**THydrogen-bonded Turntrans-91.5-20.4-176.260.20000115.6N342N342-S344 PolarHBondContact O-N 2.87Å; N342-S344 VanDerWaalsContact O-N 3.09Å
345N41.7Very low37.5Very low141 Ų141121 Ų12175%0.75466%0.658SS**SBendtrans-102.5-8.7-171.2-74.2-19.5000116.6
346C35.8Very low38Very low81 Ų81118.6 Ų118.655%0.54765%0.647SS.*SBendtrans-94.1-2.6-178.9-72.30000115.4L349 L350C346-L349 WeakPolarHBondContact O-CB 3.27Å; C346-L349 PolarHBondContact O-N 3.13Å; C346-L349 VanDerWaalsContact O-N 3.15Å; C346-L350 PolarHBondContact O-N 2.96Å
347L37.3Very low38.9Very low112 Ų112117.2 Ų117.259%0.58664%0.64SS**Hα-helixtrans-60.9-39.5179.8-86.6161000114.4L349 N351L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.1Å; L347-N351 PolarHBondContact O-N 3.31Å; L347-N351 VanDerWaalsContact O-N 3.14Å
348P43.7Very low39.5Very low92 Ų92119.5 Ų119.560%0.59765%0.645SS**Hα-helixtrans-63.5-36.1173.8-20.432.6000112.3N351 A352P348-N351 PolarHBondContact O-N 2.87Å; P348-A352 WeakPolarHBondContact O-CB 3.47Å; P348-A352 PolarHBondContact O-N 3.41Å
349L45.5Very low40.4Very low111 Ų111119.2 Ų119.258%0.58164%0.637SS**Hα-helixtrans-70.4-40.8-178.9-132.691000111.8C346 L347 A352 S353C346-L349 WeakPolarHBondContact O-CB 3.27Å; C346-L349 PolarHBondContact O-N 3.13Å; C346-L349 VanDerWaalsContact O-N 3.15Å; L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.1Å; L349-A352 PolarHBondContact O-N 3.2Å; L349-S353 WeakPolarHBondContact O-CB 3.42Å; L349-S353 PolarHBondContact O-N 3.39Å
350L44.8Very low41Very low106 Ų106118.9 Ų118.956%0.55562%0.624SS**Hα-helixtrans-67.9-36.5176.2-116.2117.4000112.2C346 S353 K354C346-L350 PolarHBondContact O-N 2.96Å; L350-S353 WeakPolarHBondContact O-CB 3.27Å; L350-S353 PolarHBondContact O-N 2.99Å; L350-K354 PolarHBondContact O-N 3.21Å
351N42.2Very low41.8Very low102 Ų102121 Ų12155%0.54563%0.631SS.*Hα-helixtrans-72.6-36.4175.9-77.3-19.7000112.1L347 P348 K354 S355L347-N351 PolarHBondContact O-N 3.31Å; L347-N351 VanDerWaalsContact O-N 3.14Å; P348-N351 PolarHBondContact O-N 2.87Å; N351-K354 PolarHBondContact O-N 2.94Å; N351-S355 PolarHBondContact O-N 2.87Å
352A45.4Very low42.1Very low40 Ų40117.4 Ų117.433%0.33161%0.612SS.*Hα-helixtrans-63.2-43.5170.100000111P348 L349 K354 S355 F356P348-A352 WeakPolarHBondContact O-CB 3.47Å; P348-A352 PolarHBondContact O-N 3.41Å; L349-A352 PolarHBondContact O-N 3.2Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.25Å; A352-S355 PolarHBondContact O-N 3.39Å; A352-F356 HydrophobicContact CB-CD2 4.3Å; A352-F356 HydrophobicContact CB-CE2 4.38Å; A352-F356 WeakPolarHBondContact O-CD2 3.48Å; A352-F356 PolarHBondContact O-N 3.1Å
353S46.4Very low43.1Very low54 Ų54113.8 Ų113.838%0.37860%0.597SS.*Hα-helixtrans-54.5-42.7176.4-178.80000112.4L349 L350 S355 R357L349-S353 WeakPolarHBondContact O-CB 3.42Å; L349-S353 PolarHBondContact O-N 3.39Å; L350-S353 WeakPolarHBondContact O-CB 3.27Å; L350-S353 PolarHBondContact O-N 2.99Å; S353-S355 PolarHBondContact O-N 2.83Å; S353-R357 WeakPolarHBondContact O-CB 3.5Å; S353-R357 PolarHBondContact O-N 3.1Å
354K43.4Very low43.8Very low149 Ų149107.3 Ų107.365%0.64858%0.581SS**Hα-helixtrans-67.3-33.1176.1-71.2-177.9-179.8-179.70113.3L350 N351 A352L350-K354 PolarHBondContact O-N 3.21Å; N351-K354 PolarHBondContact O-N 2.94Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.25Å
355S45.2Very low44.1Very low76 Ų76106.4 Ų106.453%0.53157%0.574SS.*Hα-helixtrans-75.3-36.7178.8-157.30000112.2N351 A352 S353 K358N351-S355 PolarHBondContact O-N 2.87Å; A352-S355 PolarHBondContact O-N 3.39Å; S353-S355 PolarHBondContact O-N 2.83Å; S355-K358 PolarHBondContact O-N 2.98Å
356F41.7Very low44.9Very low125 Ų125103 Ų10355%0.54856%0.561SS.*Hα-helixtrans-82.3-27.1-179.1-76.2-73.9000113.6A352 K358 I359A352-F356 HydrophobicContact CB-CD2 4.3Å; A352-F356 HydrophobicContact CB-CE2 4.38Å; A352-F356 WeakPolarHBondContact O-CD2 3.48Å; A352-F356 PolarHBondContact O-N 3.1Å; F356-K358 PolarHBondContact O-N 3.34Å; F356-I359 HydrophobicContact CD1-CD1 4.15Å; F356-I359 HydrophobicContact CE1-CD1 4.37Å; F356-I359 PolarHBondContact O-N 3.49Å
357R42.8Very low46.4Very low185 Ų185104.7 Ų104.770%0.69856%0.559SS**THydrogen-bonded Turntrans-60.6-17.7171.1-141-176.1-77.9-165.5-4.5112.5S353 I360S353-R357 WeakPolarHBondContact O-CB 3.5Å; S353-R357 PolarHBondContact O-N 3.1Å; R357-I360 HydrophobicContact CB-CD1 4.25Å; R357-I360 HydrophobicContact CG-CD1 3.51Å; R357-I360 WeakPolarHBondContact O-CD1 3.07Å; R357-I360 WeakPolarHBondContact O-CG1 3.42Å
358K43.2Very low47.8Very low193 Ų193104.3 Ų104.384%0.83956%0.557SS**THydrogen-bonded Turntrans-88-9.2176.9-138.6178.7-175.6-175.60114.3S355 F356S355-K358 PolarHBondContact O-N 2.98Å; F356-K358 PolarHBondContact O-N 3.34Å
359I44.9Very low48.8Very low99 Ų99106.2 Ų106.251%0.50855%0.553SS.*SBendtrans-102.89.9176.7-48.1176.7000110.2F356 N361F356-I359 HydrophobicContact CD1-CD1 4.15Å; F356-I359 HydrophobicContact CE1-CD1 4.37Å; F356-I359 PolarHBondContact O-N 3.49Å; I359-N361 VanDerWaalsContact C-N 3.31Å; I359-N361 PolarHBondContact O-N 3.39Å
360I36.7Very low50.1Low117 Ų117106 Ų10660%0.655%0.552SS**THydrogen-bonded Turntrans-7190.8174.8-57.1175.9000108.3R357R357-I360 HydrophobicContact CB-CD1 4.25Å; R357-I360 HydrophobicContact CG-CD1 3.51Å; R357-I360 WeakPolarHBondContact O-CD1 3.07Å; R357-I360 WeakPolarHBondContact O-CG1 3.42Å
361N46.1Very low51.5Low170 Ų170104.8 Ų104.891%0.90954%0.543SS*.THydrogen-bonded Turntrans-1527.9141.6-91.3-10.5000112.5I359I359-N361 VanDerWaalsContact C-N 3.31Å; I359-N361 PolarHBondContact O-N 3.39Å
362G44.4Very low53.2Low38 Ų38104.2 Ų104.239%0.39254%0.54SS..  trans-109.5117.9171.100000111D364 C365G362-D364 PolarHBondContact O-N 2.88Å; G362-C365 PolarHBondContact O-N 2.84Å
363S51.7Low54.8Low67 Ų67105 Ų10547%0.46954%0.537SS..Hα-helixtrans-58.6-15.1177.4102.20000113.9K323 S366K323-S363 PolarHBondContact NZ-OG 3.03Å; S363-S366 PolarHBondContact O-OG 3.46Å
364D54Low56.4Low108 Ų108108.8 Ų108.858%0.57855%0.549SS*.Hα-helixtrans-91.7-25.6-169.5-52.3-24.5000111.7G362 S366 F367 L368G362-D364 PolarHBondContact O-N 2.88Å; D364-S366 VanDerWaalsContact C-N 3.33Å; D364-S366 PolarHBondContact O-N 3.14Å; D364-F367 PolarHBondContact O-N 3.2Å; D364-L368 PolarHBondContact O-N 2.61Å; D364-L368 VanDerWaalsContact O-N 3.1Å
365C48.7Very low58.1Low69 Ų69105.8 Ų105.847%0.46654%0.539SS..Hα-helixtrans-70.8-29.3175-73.80000112.4G362 F367 W369G362-C365 PolarHBondContact O-N 2.84Å; C365-F367 VanDerWaalsContact C-N 3.35Å; C365-W369 VanDerWaalsContact O-CB 3.27Å; C365-W369 WeakPolarHBondContact O-CB 3.32Å; C365-W369 PolarHBondContact O-N 2.75Å
366S59.7Low59.6Low68 Ų68105.6 Ų105.648%0.47653%0.532SS..Hα-helixtrans-68.5-37.7174.260.70000111.1S363 D364 W369 L370S363-S366 PolarHBondContact O-OG 3.46Å; D364-S366 VanDerWaalsContact C-N 3.33Å; D364-S366 PolarHBondContact O-N 3.14Å; S366-W369 PolarHBondContact O-N 2.78Å; S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 VanDerWaalsContact O-CG 3.27Å; S366-L370 WeakPolarHBondContact O-CG 3.22Å; S366-L370 PolarHBondContact O-N 2.72Å
367F67.1Low61.5Low117 Ų117104 Ų10451%0.51353%0.53SS..Hα-helixtrans-63.2-51.8174.3-179-93.8000111.4D364 C365 W369 L370 E371D364-F367 PolarHBondContact O-N 3.2Å; C365-F367 VanDerWaalsContact C-N 3.35Å; F367-W369 PolarHBondContact O-N 2.77Å; F367-L370 WeakPolarHBondContact O-CB 3.3Å; F367-L370 PolarHBondContact O-N 2.96Å; F367-L370 VanDerWaalsContact O-N 3.1Å; F367-E371 WeakPolarHBondContact CE1-OE2 3.39Å; F367-E371 WeakPolarHBondContact O-CB 3.49Å; F367-E371 PolarHBondContact O-N 3.09Å
368L67Low63.5Low104 Ų10499 Ų9955%0.54551%0.514SS..Hα-helixtrans-59-35.3176.9-69.9172.6000112.4D364 L372D364-L368 PolarHBondContact O-N 2.61Å; D364-L368 VanDerWaalsContact O-N 3.1Å; L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.28Å; L368-L372 PolarHBondContact O-N 3.18Å
369W64.6Low65.3Low132 Ų13293.3 Ų93.350%0.549%0.492SS..Hα-helixtrans-69-42.4176.3-171.383.4000112C365 S366 F367 E371 L372 M373C365-W369 VanDerWaalsContact O-CB 3.27Å; C365-W369 WeakPolarHBondContact O-CB 3.32Å; C365-W369 PolarHBondContact O-N 2.75Å; S366-W369 PolarHBondContact O-N 2.78Å; F367-W369 PolarHBondContact O-N 2.77Å; W369-E371 VanDerWaalsContact C-N 3.35Å; W369-L372 PolarHBondContact O-N 2.78Å; W369-M373 HydrophobicContact CD2-CG 4.1Å; W369-M373 HydrophobicContact CE3-CG 4.1Å; W369-M373 HydrophobicContact CH2-CG 3.92Å; W369-M373 HydrophobicContact CH2-SD 4.35Å; W369-M373 HydrophobicContact CZ2-CG 3.9Å; W369-M373 HydrophobicContact CZ2-SD 4.02Å; W369-M373 HydrophobicContact CZ3-CG 4.02Å; W369-M373 VanDerWaalsContact O-CG 3.26Å; W369-M373 WeakPolarHBondContact O-CG 3.23Å; W369-M373 PolarHBondContact O-N 3.48Å
370L72Confident67Low107 Ų10794 Ų9456%0.5650%0.496SS*.Hα-helixtrans-62.6-43173.6-72.4169.1000111.3S366 F367 M373 Q374S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 VanDerWaalsContact O-CG 3.27Å; S366-L370 WeakPolarHBondContact O-CG 3.22Å; S366-L370 PolarHBondContact O-N 2.72Å; F367-L370 WeakPolarHBondContact O-CB 3.3Å; F367-L370 PolarHBondContact O-N 2.96Å; F367-L370 VanDerWaalsContact O-N 3.1Å; L370-M373 PolarHBondContact O-N 3.02Å; L370-Q374 WeakPolarHBondContact O-CB 3.24Å; L370-Q374 PolarHBondContact O-N 3.37Å
371E74Confident69.2Low81 Ų8193.2 Ų93.238%0.37949%0.488SS..Hα-helixtrans-63.7-43.9177.4-165.9175.7-164.500111.3F367 W369 M373 Q374 I375F367-E371 WeakPolarHBondContact CE1-OE2 3.39Å; F367-E371 WeakPolarHBondContact O-CB 3.49Å; F367-E371 PolarHBondContact O-N 3.09Å; W369-E371 VanDerWaalsContact C-N 3.35Å; E371-M373 PolarHBondContact O-N 3.42Å; E371-Q374 WeakPolarHBondContact O-CB 3.26Å; E371-Q374 PolarHBondContact O-N 3.27Å; E371-I375 HydrophobicContact CG-CD1 4.28Å; E371-I375 VanDerWaalsContact O-CG1 3.28Å; E371-I375 WeakPolarHBondContact O-CG1 3.36Å; E371-I375 PolarHBondContact O-N 2.84Å
372L77.5Confident70.8Confident89 Ų8989.9 Ų89.947%0.46647%0.47SS..Hα-helixtrans-61.3-43.4174.6-173.969.7000111.9L368 W369 Q374 I375 D376L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.28Å; L368-L372 PolarHBondContact O-N 3.18Å; W369-L372 PolarHBondContact O-N 2.78Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 2.89Å; L372-I375 PolarHBondContact O-N 3.38Å; L372-D376 PolarHBondContact O-N 2.82Å
373M78.9Confident72.4Confident56 Ų5693.7 Ų93.728%0.27648%0.476SS..Hα-helixtrans-64.5-36.4175.6-70.3-66.693.900112.1W369 L370 E371 N377W369-M373 HydrophobicContact CD2-CG 4.1Å; W369-M373 HydrophobicContact CE3-CG 4.1Å; W369-M373 HydrophobicContact CH2-CG 3.92Å; W369-M373 HydrophobicContact CH2-SD 4.35Å; W369-M373 HydrophobicContact CZ2-CG 3.9Å; W369-M373 HydrophobicContact CZ2-SD 4.02Å; W369-M373 HydrophobicContact CZ3-CG 4.02Å; W369-M373 VanDerWaalsContact O-CG 3.26Å; W369-M373 WeakPolarHBondContact O-CG 3.23Å; W369-M373 PolarHBondContact O-N 3.48Å; L370-M373 PolarHBondContact O-N 3.02Å; E371-M373 PolarHBondContact O-N 3.42Å; M373-N377 WeakPolarHBondContact O-CB 3.3Å; M373-N377 PolarHBondContact O-N 3.48Å; M373-N377 VanDerWaalsContact O-N 3.1Å
374Q80.1Confident73.6Confident134 Ų13497.3 Ų97.363%0.62648%0.483SS*.Hα-helixtrans-66.7-44.1175.2-170.6172.7-0.600111.3L370 E371 L372 N377 E378L370-Q374 WeakPolarHBondContact O-CB 3.24Å; L370-Q374 PolarHBondContact O-N 3.37Å; E371-Q374 WeakPolarHBondContact O-CB 3.26Å; E371-Q374 PolarHBondContact O-N 3.27Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 2.89Å; Q374-N377 PolarHBondContact O-N 3.21Å; Q374-E378 PolarHBondContact O-N 2.95Å
375I80.6Confident74.7Confident87 Ų8799.4 Ų99.445%0.44648%0.483SS..Hα-helixtrans-60.4-48.4175.4-69.1164.8000110.8E371 L372 N377 E378 I379E371-I375 HydrophobicContact CG-CD1 4.28Å; E371-I375 VanDerWaalsContact O-CG1 3.28Å; E371-I375 WeakPolarHBondContact O-CG1 3.36Å; E371-I375 PolarHBondContact O-N 2.84Å; L372-I375 PolarHBondContact O-N 3.38Å; I375-N377 PolarHBondContact O-N 2.85Å; I375-E378 PolarHBondContact O-N 3.25Å; I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 HydrophobicContact CG2-CG1 4.37Å; I375-I379 WeakPolarHBondContact O-CG1 3.39Å; I375-I379 PolarHBondContact O-N 2.64Å
376D75.5Confident75.9Confident72 Ų72102.1 Ų102.139%0.38549%0.487SS..Hα-helixtrans-59.2-38.7178.8-85.3-20.2000111.6L372 I379 L380L372-D376 PolarHBondContact O-N 2.82Å; D376-I379 PolarHBondContact O-N 2.86Å; D376-L380 PolarHBondContact O-N 3.48Å
377N81.6Confident76.5Confident92 Ų92105 Ų10549%0.49250%0.496SS..Hα-helixtrans-71.1-38.6178.5-150.15.3000112.3M373 Q374 I375 L380 K381M373-N377 WeakPolarHBondContact O-CB 3.3Å; M373-N377 PolarHBondContact O-N 3.48Å; M373-N377 VanDerWaalsContact O-N 3.1Å; Q374-N377 PolarHBondContact O-N 3.21Å; I375-N377 PolarHBondContact O-N 2.85Å; N377-L380 WeakPolarHBondContact O-CB 3.2Å; N377-L380 PolarHBondContact O-N 3.13Å; N377-K381 WeakPolarHBondContact O-CG 3.25Å; N377-K381 PolarHBondContact O-N 3.39Å
378E85.9Confident76.6Confident79 Ų79104.6 Ų104.637%0.36950%0.499SS..Hα-helixtrans-66.4-39.3172.6-74.2-56.2128.800112Q374 I375 L380 K381 L382Q374-E378 PolarHBondContact O-N 2.95Å; I375-E378 PolarHBondContact O-N 3.25Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 3.39Å; E378-K381 PolarHBondContact O-N 2.88Å; E378-K381 IonicContact OE1-NZ 2.74Å; E378-K381 PolarHBondContact OE1-NZ 2.86Å; E378-L382 WeakPolarHBondContact O-CB 3.32Å; E378-L382 VanDerWaalsContact O-CG 3.32Å; E378-L382 WeakPolarHBondContact O-CG 3.21Å; E378-L382 PolarHBondContact O-N 3.48Å
379I81Confident76.6Confident74 Ų74104.3 Ų104.338%0.37950%0.498SS..Hα-helixtrans-59.9-43172.7-70169000110.7I375 D376 L382 K383I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 HydrophobicContact CG2-CG1 4.37Å; I375-I379 WeakPolarHBondContact O-CG1 3.39Å; I375-I379 PolarHBondContact O-N 2.64Å; D376-I379 PolarHBondContact O-N 2.86Å; I379-L382 PolarHBondContact O-N 3.44Å; I379-K383 HydrophobicContact CG2-CD 4.38Å; I379-K383 WeakPolarHBondContact O-CB 3.38Å; I379-K383 WeakPolarHBondContact O-CG 3.27Å; I379-K383 PolarHBondContact O-N 2.88Å
380L80.9Confident76.2Confident113 Ų113103.4 Ų103.459%0.59250%0.499SS*.Hα-helixtrans-61.3-44.6175.7-88.2154.7000112.1D376 N377 E378 K383 K384D376-L380 PolarHBondContact O-N 3.48Å; N377-L380 WeakPolarHBondContact O-CB 3.2Å; N377-L380 PolarHBondContact O-N 3.13Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 3.39Å; L380-K383 PolarHBondContact O-N 2.86Å; L380-K384 PolarHBondContact O-N 3.4Å
381K82.9Confident75.4Confident101 Ų101104.1 Ų104.144%0.43950%0.502SS..Hα-helixtrans-62.5-41.9174.7-72.7178.6-168.8165.60112.1N377 E378 K384 R385N377-K381 WeakPolarHBondContact O-CG 3.25Å; N377-K381 PolarHBondContact O-N 3.39Å; E378-K381 PolarHBondContact O-N 2.88Å; E378-K381 IonicContact OE1-NZ 2.74Å; E378-K381 PolarHBondContact OE1-NZ 2.86Å; K381-K384 PolarHBondContact O-N 3.4Å; K381-R385 WeakPolarHBondContact O-CB 3.3Å; K381-R385 PolarHBondContact O-N 2.88Å
382L79.2Confident74.3Confident100 Ų100106.4 Ų106.452%0.52452%0.522SS..Hα-helixtrans-66.8-38.5177.6-73.1173.1000111.9E378 I379 R385 K386E378-L382 WeakPolarHBondContact O-CB 3.32Å; E378-L382 VanDerWaalsContact O-CG 3.32Å; E378-L382 WeakPolarHBondContact O-CG 3.21Å; E378-L382 PolarHBondContact O-N 3.48Å; I379-L382 PolarHBondContact O-N 3.44Å; L382-R385 PolarHBondContact O-N 3.49Å; L382-K386 WeakPolarHBondContact O-CB 3.16Å; L382-K386 PolarHBondContact O-N 3.48Å
383K77.2Confident73.1Confident117 Ų117106.9 Ų106.951%0.50952%0.524SS..Hα-helixtrans-63.1-44.1173-77.7-176.4175.5-166.70111.9I379 L380 K386 L387I379-K383 HydrophobicContact CG2-CD 4.38Å; I379-K383 WeakPolarHBondContact O-CB 3.38Å; I379-K383 WeakPolarHBondContact O-CG 3.27Å; I379-K383 PolarHBondContact O-N 2.88Å; L380-K383 PolarHBondContact O-N 2.86Å; K383-K386 WeakPolarHBondContact O-CB 3.38Å; K383-K386 PolarHBondContact O-N 3.31Å; K383-L387 PolarHBondContact O-N 3.5Å
384K77.7Confident71.9Confident143 Ų143106.6 Ų106.662%0.62253%0.528SS*.Hα-helixtrans-61.4-49.1174.7-174179.2176.6-178.90110.7L380 K381 K386 L387 D388L380-K384 PolarHBondContact O-N 3.4Å; K381-K384 PolarHBondContact O-N 3.4Å; K384-K386 VanDerWaalsContact C-N 3.3Å; K384-K386 PolarHBondContact O-N 2.85Å; K384-L387 WeakPolarHBondContact O-CB 3.43Å; K384-L387 PolarHBondContact O-N 3.43Å; K384-L387 VanDerWaalsContact O-N 3.08Å; K384-D388 VanDerWaalsContact O-CG 3.23Å; K384-D388 PolarHBondContact O-N 3.35Å
385R75.8Confident70.9Confident152 Ų152106 Ų10657%0.57453%0.529SS*.Hα-helixtrans-58.9-38.6174.5-83.3-176.2177.3155.1-1.2112.7K381 L382 L387 D388 L389K381-R385 WeakPolarHBondContact O-CB 3.3Å; K381-R385 PolarHBondContact O-N 2.88Å; L382-R385 PolarHBondContact O-N 3.49Å; R385-L387 VanDerWaalsContact C-N 3.28Å; R385-L387 PolarHBondContact O-N 2.84Å; R385-D388 CarbonylContact O-C 3.5Å; R385-D388 PolarHBondContact O-N 2.81Å; R385-L389 WeakPolarHBondContact O-CA 3.42Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 WeakPolarHBondContact O-CG 3.37Å; R385-L389 PolarHBondContact O-N 2.86Å
386K75.7Confident70Confident127 Ų127107.3 Ų107.355%0.55254%0.537SS*.Hα-helixtrans-60.9-41.7175.5-175.6-174.7-177.8-85.70110.5L382 K383 K384 L389 E390L382-K386 WeakPolarHBondContact O-CB 3.16Å; L382-K386 PolarHBondContact O-N 3.48Å; K383-K386 WeakPolarHBondContact O-CB 3.38Å; K383-K386 PolarHBondContact O-N 3.31Å; K384-K386 VanDerWaalsContact C-N 3.3Å; K384-K386 PolarHBondContact O-N 2.85Å; K386-L389 CarbonylContact O-C 3.58Å; K386-L389 PolarHBondContact O-N 3.46Å; K386-E390 IonicContact NZ-OE1 2.63Å; K386-E390 PolarHBondContact NZ-OE1 3.36Å; K386-E390 WeakPolarHBondContact O-CB 3.38Å; K386-E390 PolarHBondContact O-N 2.84Å
387L71.3Confident69.2Low129 Ų129107.7 Ų107.768%0.67554%0.544SS*.Hα-helixtrans-70.4-38.7178.1-149.7151.6000111.1K383 K384 R385 L389K383-L387 PolarHBondContact O-N 3.5Å; K384-L387 WeakPolarHBondContact O-CB 3.43Å; K384-L387 PolarHBondContact O-N 3.43Å; K384-L387 VanDerWaalsContact O-N 3.08Å; R385-L387 VanDerWaalsContact C-N 3.28Å; R385-L387 PolarHBondContact O-N 2.84Å; L387-L389 VanDerWaalsContact C-N 3.33Å
388D70.1Confident68.2Low107 Ų107107.3 Ų107.357%0.57254%0.541SS*.Hα-helixtrans-68.6-30.2173.2-59.8-25.6000112.2K384 R385K384-D388 VanDerWaalsContact O-CG 3.23Å; K384-D388 PolarHBondContact O-N 3.35Å; R385-D388 CarbonylContact O-C 3.5Å; R385-D388 PolarHBondContact O-N 2.81Å
389L65.4Low67.2Low99 Ų99107.9 Ų107.952%0.51855%0.547SS..Hα-helixtrans-95-12.4-179.3-73.6172.4000113.9R385 K386 L387 I391R385-L389 WeakPolarHBondContact O-CA 3.42Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 WeakPolarHBondContact O-CG 3.37Å; R385-L389 PolarHBondContact O-N 2.86Å; K386-L389 CarbonylContact O-C 3.58Å; K386-L389 PolarHBondContact O-N 3.46Å; L387-L389 VanDerWaalsContact C-N 3.33Å; L389-I391 PolarHBondContact O-N 2.92Å
390E57.6Low66.4Low112 Ų112109 Ų10952%0.52355%0.554SS.*  trans-65.167.3154.9-89.8170.7-169.800106K386 T392K386-E390 IonicContact NZ-OE1 2.63Å; K386-E390 PolarHBondContact NZ-OE1 3.36Å; K386-E390 WeakPolarHBondContact O-CB 3.38Å; K386-E390 PolarHBondContact O-N 2.84Å; E390-T392 PolarHBondContact O-N 3.37Å
391I54.5Low65.6Low123 Ų123111.6 Ų111.663%0.63156%0.557SS**  trans-49.3105.7148.6-62.2171.3000101.8L389 I393L389-I391 PolarHBondContact O-N 2.92Å; I391-I393 HydrophobicContact CG2-CG1 4.14Å; I391-I393 PolarHBondContact O-N 2.83Å
392T51.8Low64.8Low129 Ų129111 Ų11179%0.79156%0.558SS**  trans-58.190161.8-36.30000103.7E390 S394E390-T392 PolarHBondContact O-N 3.37Å; T392-S394 PolarHBondContact O-N 3.43Å
393I50.6Low64Low98 Ų98113.4 Ų113.450%0.50357%0.566SS.*  trans-64.593162.6-59.1175.8000100.9I391 D395 C397 L398I391-I393 HydrophobicContact CG2-CG1 4.14Å; I391-I393 PolarHBondContact O-N 2.83Å; I393-D395 PolarHBondContact O-N 2.79Å; I393-C397 HydrophobicContact CG2-CB 3.91Å; I393-L398 HydrophobicContact CG2-CB 4.37Å; I393-L398 HydrophobicContact CG2-CD1 4.11Å; I393-L398 HydrophobicContact CG2-CG 4.47Å
394S55.5Low63.6Low51 Ų51115.9 Ų115.936%0.35758%0.577SS.*  trans-46.9138.2173.1164.20000106.7T392 D396 C397 L398T392-S394 PolarHBondContact O-N 3.43Å; S394-D396 PolarHBondContact O-N 3.45Å; S394-D396 WeakPolarHBondContact OG-CB 3.41Å; S394-D396 PolarHBondContact OG-N 3.37Å; S394-D396 VanDerWaalsContact OG-N 3.14Å; S394-D396 PolarHBondContact OG-OD2 3.06Å; S394-C397 WeakPolarHBondContact O-CA 3.5Å; S394-C397 WeakPolarHBondContact O-CB 3.31Å; S394-C397 PolarHBondContact O-N 3.49Å; S394-L398 PolarHBondContact O-N 3.45Å
395D57.8Low63.1Low122 Ų122114.7 Ų114.765%0.65258%0.577SS**Hα-helixtrans-51.8-25.2174.6-72.5-34.4000111I393 C397 L398 N399I393-D395 PolarHBondContact O-N 2.79Å; D395-C397 VanDerWaalsContact C-N 3.35Å; D395-C397 PolarHBondContact O-N 2.72Å; D395-L398 PolarHBondContact O-N 2.92Å; D395-N399 VanDerWaalsContact O-CB 3.25Å; D395-N399 WeakPolarHBondContact O-CB 3.44Å; D395-N399 VanDerWaalsContact O-CG 3.23Å; D395-N399 PolarHBondContact O-N 3.33Å; D395-N399 PolarHBondContact O-ND2 3.28Å; D395-N399 VanDerWaalsContact O-ND2 3.14Å
396D61.2Low61.6Low114 Ų114115.5 Ų115.561%0.6159%0.587SS**Hα-helixtrans-62.2-36.6172.4-60.8-33000113.7S394 N400S394-D396 PolarHBondContact O-N 3.45Å; S394-D396 WeakPolarHBondContact OG-CB 3.41Å; S394-D396 PolarHBondContact OG-N 3.37Å; S394-D396 VanDerWaalsContact OG-N 3.14Å; S394-D396 PolarHBondContact OG-OD2 3.06Å; D396-N400 WeakPolarHBondContact O-CB 3.27Å; D396-N400 PolarHBondContact O-N 3.38Å; D396-N400 PolarHBondContact O-ND2 2.82Å; D396-N400 VanDerWaalsContact O-ND2 3.15Å
397C59.5Low60.2Low79 Ų79114 Ų11453%0.53459%0.588SS.*Hα-helixtrans-72.8-38.9178.5-162.40000110.5I393 S394 D395 Y401I393-C397 HydrophobicContact CG2-CB 3.91Å; S394-C397 WeakPolarHBondContact O-CA 3.5Å; S394-C397 WeakPolarHBondContact O-CB 3.31Å; S394-C397 PolarHBondContact O-N 3.49Å; D395-C397 VanDerWaalsContact C-N 3.35Å; D395-C397 PolarHBondContact O-N 2.72Å; C397-Y401 PolarHBondContact O-N 3.29Å; C397-Y401 VanDerWaalsContact O-N 3.09Å
398L61.6Low59.1Low84 Ų84116.8 Ų116.844%0.4461%0.614SS.*Hα-helixtrans-69.9-41.7177.2-132.8147.3000111.2I393 S394 D395 Y401 L402I393-L398 HydrophobicContact CG2-CB 4.37Å; I393-L398 HydrophobicContact CG2-CD1 4.11Å; I393-L398 HydrophobicContact CG2-CG 4.47Å; S394-L398 PolarHBondContact O-N 3.45Å; D395-L398 PolarHBondContact O-N 2.92Å; L398-Y401 PolarHBondContact O-N 3.16Å; L398-L402 HydrophobicContact CD2-CD1 3.82Å; L398-L402 HydrophobicContact CD2-CG 4.42Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 2.96Å
399N63.3Low58.6Low92 Ų92117.3 Ų117.349%0.49262%0.616SS.*Hα-helixtrans-65.9-40175-76.8-33.1000112.5D395 Y401 L402 Q403D395-N399 VanDerWaalsContact O-CB 3.25Å; D395-N399 WeakPolarHBondContact O-CB 3.44Å; D395-N399 VanDerWaalsContact O-CG 3.23Å; D395-N399 PolarHBondContact O-N 3.33Å; D395-N399 PolarHBondContact O-ND2 3.28Å; D395-N399 VanDerWaalsContact O-ND2 3.14Å; N399-Y401 VanDerWaalsContact C-N 3.32Å; N399-Y401 PolarHBondContact O-N 3.42Å; N399-L402 PolarHBondContact O-N 3.3Å; N399-Q403 WeakPolarHBondContact O-CB 2.75Å; N399-Q403 PolarHBondContact O-N 3.33Å
400N65.2Low58.2Low98 Ų98118.2 Ų118.252%0.52462%0.621SS.*Hα-helixtrans-62.4-39.2172.5-98.1-61.3000112.3D396 K404D396-N400 WeakPolarHBondContact O-CB 3.27Å; D396-N400 PolarHBondContact O-N 3.38Å; D396-N400 PolarHBondContact O-ND2 2.82Å; D396-N400 VanDerWaalsContact O-ND2 3.15Å; N400-K404 PolarHBondContact O-N 3.03Å
401Y64.4Low58.3Low167 Ų167118.6 Ų118.666%0.65563%0.627SS**Hα-helixtrans-68.7-40.8178.5-157.7-89.5000111.6C397 L398 N399 K404 L405C397-Y401 PolarHBondContact O-N 3.29Å; C397-Y401 VanDerWaalsContact O-N 3.09Å; L398-Y401 PolarHBondContact O-N 3.16Å; N399-Y401 VanDerWaalsContact C-N 3.32Å; N399-Y401 PolarHBondContact O-N 3.42Å; Y401-K404 PolarHBondContact O-N 3.03Å; Y401-L405 HydrophobicContact CD1-CD1 3.99Å; Y401-L405 HydrophobicContact CE1-CD1 4.05Å; Y401-L405 PolarHBondContact O-N 2.98Å
402L65.3Low58.5Low87 Ų87118.3 Ų118.346%0.45563%0.626SS.*Hα-helixtrans-70.8-37.6177.8-73.9168.8000113L398 N399 K404 L405 H406L398-L402 HydrophobicContact CD2-CD1 3.82Å; L398-L402 HydrophobicContact CD2-CG 4.42Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 2.96Å; N399-L402 PolarHBondContact O-N 3.3Å; L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 3.05Å; L402-L405 HydrophobicContact CD2-CD1 4.39Å; L402-L405 PolarHBondContact O-N 3.19Å; L402-L405 VanDerWaalsContact O-N 3.09Å; L402-H406 PolarHBondContact O-N 3.37Å
403Q63.3Low58.9Low151 Ų151117.6 Ų117.671%0.70662%0.616SS**Hα-helixtrans-61.3-35.2173.3-87.9-173.1-5.900112.3N399 L405 H406N399-Q403 WeakPolarHBondContact O-CB 2.75Å; N399-Q403 PolarHBondContact O-N 3.33Å; Q403-L405 VanDerWaalsContact C-N 3.26Å; Q403-L405 PolarHBondContact O-N 3.4Å; Q403-H406 PolarHBondContact O-N 3.44Å
404K67.2Low59.5Low170 Ų170118.9 Ų118.974%0.73962%0.624SS**Hα-helixtrans-70.1-19.7175.3-76-176.2178.5-178.30114N400 Y401 L402N400-K404 PolarHBondContact O-N 3.03Å; Y401-K404 PolarHBondContact O-N 3.03Å; L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 3.05Å
405L67.9Low59.7Low117 Ų117123.8 Ų123.861%0.61364%0.643SS**Hα-helixtrans-84.1-23.2177.8-80.4160000112.9Y401 L402 Q403 V407Y401-L405 HydrophobicContact CD1-CD1 3.99Å; Y401-L405 HydrophobicContact CE1-CD1 4.05Å; Y401-L405 PolarHBondContact O-N 2.98Å; L402-L405 HydrophobicContact CD2-CD1 4.39Å; L402-L405 PolarHBondContact O-N 3.19Å; L402-L405 VanDerWaalsContact O-N 3.09Å; Q403-L405 VanDerWaalsContact C-N 3.26Å; Q403-L405 PolarHBondContact O-N 3.4Å; L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.4Å; L405-V407 VanDerWaalsContact O-N 3.14Å
406H44.7Very low59.9Low170 Ų170123.9 Ų123.979%0.78764%0.642SS**  trans-85.674.8172.3-90.2-78.3000110.9L402 Q403L402-H406 PolarHBondContact O-N 3.37Å; Q403-H406 PolarHBondContact O-N 3.44Å
407V46.2Very low59.8Low95 Ų95124.8 Ų124.858%0.57665%0.645SS**  trans-90.6127.8155.6-176.30000106.4L203 L405L203-V407 HydrophobicContact CD1-CG1 4.47Å; L405-V407 VanDerWaalsContact C-N 3.33Å; L405-V407 PolarHBondContact O-N 3.4Å; L405-V407 VanDerWaalsContact O-N 3.14Å
408P48.7Very low59.8Low187 Ų187128.9 Ų128.9100%1.21466%0.655SS**  trans-61.80-168.421.9-32.7000115.8

Retrieved 408 of 408 residues in 132.7 ms (Link to these results)

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