A0A5K4F5Q7_SCHMA Loading...

COMM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5Q7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 117 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.4Low67Low130 Ų13069.8 Ų69.864%0.6435%0.353SS*.  0116.60-95.9-175.9100.700110.4T6M1-T6 WeakPolarHBondContact CB-OG1 3.49Å; M1-T6 VanDerWaalsContact CE-CA 3.42Å; M1-T6 HydrophobicContact CE-CG2 4.16Å
2L60.2Low67.9Low69 Ų6966.7 Ų66.736%0.36134%0.34SS..  trans-68.4143.7174.1-78.9135.2000110.8S4 L5 T6 N64L2-S4 PolarHBondContact O-N 3Å; L2-S4 VanDerWaalsContact O-N 3.13Å; L2-L5 HydrophobicContact CB-CD1 4.2Å; L2-L5 HydrophobicContact CD1-CD1 4.38Å; L2-L5 PolarHBondContact O-N 2.79Å; L2-T6 PolarHBondContact O-N 2.62Å; L2-T6 PolarHBondContact O-OG1 2.71Å; L2-N64 HydrophobicContact CD1-CB 4.12Å; L2-N64 WeakPolarHBondContact CD1-OD1 3.31Å
3P68.5Low68.8Low107 Ų10766.5 Ų66.570%0.69535%0.349SS*.Hα-helixtrans-53.2-39.1-173.8-2632.7000114.3T6 K7P3-T6 PolarHBondContact O-N 3.11Å; P3-K7 WeakPolarHBondContact O-CB 3.3Å; P3-K7 PolarHBondContact O-N 2.98Å
4S63.5Low69.9Low14 Ų1470.2 Ų70.210%0.09836%0.363CS..Hα-helixtrans-65.7-36.9179.147.60000113L2 L8 N64L2-S4 PolarHBondContact O-N 3Å; L2-S4 VanDerWaalsContact O-N 3.13Å; S4-L8 WeakPolarHBondContact O-CB 3.47Å; S4-L8 PolarHBondContact O-N 2.7Å; S4-N64 PolarHBondContact OG-ND2 3.26Å
5L58.4Low71.1Confident10 Ų1066.7 Ų66.75%0.05234%0.343CS..Hα-helixtrans-75.5-40175.8-77.7162.7000112.7L2 K7 L8 Y9 V60 N64 L65 I70L2-L5 HydrophobicContact CB-CD1 4.2Å; L2-L5 HydrophobicContact CD1-CD1 4.38Å; L2-L5 PolarHBondContact O-N 2.79Å; L5-K7 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.21Å; L5-Y9 WeakPolarHBondContact O-CB 3.48Å; L5-Y9 PolarHBondContact O-N 2.81Å; L5-V60 HydrophobicContact CD2-CG1 3.87Å; L5-V60 HydrophobicContact CD2-CG2 4.25Å; L5-V60 HydrophobicContact CG-CG1 4.48Å; L5-N64 HydrophobicContact CD1-CB 3.67Å; L5-N64 WeakPolarHBondContact CD1-O 3.36Å; L5-N64 HydrophobicContact CG-CB 3.88Å; L5-L65 HydrophobicContact CD2-CD2 3.87Å; L5-I70 HydrophobicContact CD1-CD1 3.12Å; L5-I70 HydrophobicContact CG-CD1 4.26Å
6T67.1Low72Confident59 Ų5965.6 Ų65.636%0.36234%0.343SS..Hα-helixtrans-59-41.9173-47.40000110.2M1 L2 P3 H10M1-T6 WeakPolarHBondContact CB-OG1 3.49Å; M1-T6 VanDerWaalsContact CE-CA 3.42Å; M1-T6 HydrophobicContact CE-CG2 4.16Å; L2-T6 PolarHBondContact O-N 2.62Å; L2-T6 PolarHBondContact O-OG1 2.71Å; P3-T6 PolarHBondContact O-N 3.11Å; T6-H10 VanDerWaalsContact O-CB 3.31Å; T6-H10 WeakPolarHBondContact O-CB 3.41Å; T6-H10 PolarHBondContact O-N 3.29Å
7K72.8Confident72.6Confident99 Ų9968.4 Ų68.443%0.4336%0.359SS..Hα-helixtrans-65.3-45.4175.6-161.2-177.9179.2-177.70111.8P3 L5 Y9 H10 V11 E52P3-K7 WeakPolarHBondContact O-CB 3.3Å; P3-K7 PolarHBondContact O-N 2.98Å; L5-K7 PolarHBondContact O-N 3.41Å; K7-Y9 PolarHBondContact O-N 3.02Å; K7-H10 PolarHBondContact O-N 3.48Å; K7-V11 HydrophobicContact CG-CG2 4.48Å; K7-V11 WeakPolarHBondContact O-CB 3.33Å; K7-V11 VanDerWaalsContact O-CG2 3.23Å; K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 3.31Å; K7-E52 WeakPolarHBondContact CE-OE1 3.41Å
8L72Confident73.3Confident23 Ų2368.8 Ų68.812%0.1237%0.368CS..Hα-helixtrans-58.3-50.3176.1179.763.5000111.2S4 L5 H10 V11 T12 C56 L57 V60S4-L8 WeakPolarHBondContact O-CB 3.47Å; S4-L8 PolarHBondContact O-N 2.7Å; L5-L8 PolarHBondContact O-N 3.21Å; L8-H10 VanDerWaalsContact C-N 3.33Å; L8-H10 PolarHBondContact O-N 2.98Å; L8-V11 PolarHBondContact O-N 3.44Å; L8-V11 VanDerWaalsContact O-N 3.17Å; L8-T12 HydrophobicContact CD1-CG2 3.8Å; L8-T12 HydrophobicContact CG-CG2 4.28Å; L8-T12 WeakPolarHBondContact O-CG2 3.27Å; L8-T12 PolarHBondContact O-N 3.12Å; L8-T12 PolarHBondContact O-OG1 3.15Å; L8-C56 HydrophobicContact CB-CB 4.31Å; L8-C56 HydrophobicContact CD1-CB 3.92Å; L8-L57 HydrophobicContact CD1-CD2 3.52Å; L8-L57 HydrophobicContact CD1-CG 3.74Å; L8-L57 HydrophobicContact CD2-CD2 4.11Å; L8-L57 HydrophobicContact CG-CD2 4.47Å; L8-V60 HydrophobicContact CB-CG2 3.91Å; L8-V60 HydrophobicContact CD2-CB 4.47Å; L8-V60 HydrophobicContact CD2-CG2 3.77Å; L8-V60 HydrophobicContact CG-CG2 4.4Å
9Y69.9Low74.1Confident120 Ų12066.3 Ų66.347%0.47135%0.354SS..Hα-helixtrans-55.7-49178.9-179.3-89.6000111.3L5 K7 V11 T12 S13 P73L5-Y9 WeakPolarHBondContact O-CB 3.48Å; L5-Y9 PolarHBondContact O-N 2.81Å; K7-Y9 PolarHBondContact O-N 3.02Å; Y9-V11 VanDerWaalsContact C-N 3.3Å; Y9-V11 PolarHBondContact O-N 3.29Å; Y9-T12 PolarHBondContact O-N 2.95Å; Y9-T12 PolarHBondContact O-OG1 2.93Å; Y9-T12 VanDerWaalsContact O-OG1 3.12Å; Y9-S13 WeakPolarHBondContact O-CB 3.49Å; Y9-S13 PolarHBondContact O-N 3.48Å; Y9-S13 PolarHBondContact O-OG 2.89Å; Y9-P73 HydrophobicContact CD2-CG 4.18Å; Y9-P73 HydrophobicContact CE2-CG 3.74Å
10H75.4Confident74.7Confident123 Ų12363.9 Ų63.957%0.56934%0.341SS*.Hα-helixtrans-65.8-33.4-178.8-158.5-28.2000112.5T6 K7 L8 S13T6-H10 VanDerWaalsContact O-CB 3.31Å; T6-H10 WeakPolarHBondContact O-CB 3.41Å; T6-H10 PolarHBondContact O-N 3.29Å; K7-H10 PolarHBondContact O-N 3.48Å; L8-H10 VanDerWaalsContact C-N 3.33Å; L8-H10 PolarHBondContact O-N 2.98Å; H10-S13 PolarHBondContact O-OG 3.38Å
11V77.5Confident75.1Confident14 Ų1464.1 Ų64.19%0.08535%0.348CS..Hα-helixtrans-75.1-44.6176.5173.30000110.3K7 L8 Y9 S13 E14 E52 L53K7-V11 HydrophobicContact CG-CG2 4.48Å; K7-V11 WeakPolarHBondContact O-CB 3.33Å; K7-V11 VanDerWaalsContact O-CG2 3.23Å; K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 3.31Å; L8-V11 PolarHBondContact O-N 3.44Å; L8-V11 VanDerWaalsContact O-N 3.17Å; Y9-V11 VanDerWaalsContact C-N 3.3Å; Y9-V11 PolarHBondContact O-N 3.29Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 2.91Å; V11-E14 PolarHBondContact O-N 2.85Å; V11-E52 HydrophobicContact CG1-CG 4.4Å; V11-E52 HydrophobicContact CG2-CG 3.76Å; V11-L53 HydrophobicContact CG1-CB 3.92Å; V11-L53 HydrophobicContact CG1-CD1 3.99Å
12T78.5Confident76.8Confident32 Ų3261.2 Ų61.220%0.19634%0.335CS..Hα-helixtrans-70.6-26.4-180520000113.3L8 Y9 E14 W15 L53L8-T12 HydrophobicContact CD1-CG2 3.8Å; L8-T12 HydrophobicContact CG-CG2 4.28Å; L8-T12 WeakPolarHBondContact O-CG2 3.27Å; L8-T12 PolarHBondContact O-N 3.12Å; L8-T12 PolarHBondContact O-OG1 3.15Å; Y9-T12 PolarHBondContact O-N 2.95Å; Y9-T12 PolarHBondContact O-OG1 2.93Å; Y9-T12 VanDerWaalsContact O-OG1 3.12Å; T12-E14 PolarHBondContact O-N 3.33Å; T12-W15 PolarHBondContact O-N 3.14Å; T12-L53 HydrophobicContact CG2-CD1 3.69Å
13S79.1Confident78.1Confident65 Ų6558 Ų5846%0.45532%0.318SS..THydrogen-bonded Turntrans-66.5-22.6177.162.50000113.2Y9 H10 V11Y9-S13 WeakPolarHBondContact O-CB 3.49Å; Y9-S13 PolarHBondContact O-N 3.48Å; Y9-S13 PolarHBondContact O-OG 2.89Å; H10-S13 PolarHBondContact O-OG 3.38Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 2.91Å
14E84.7Confident78.8Confident118 Ų11853.7 Ų53.755%0.55129%0.289SS*.THydrogen-bonded Turntrans-82.9-1.3174.6-59.5-59.5135.100112.3V11 T12 K45V11-E14 PolarHBondContact O-N 2.85Å; T12-E14 PolarHBondContact O-N 3.33Å; E14-K45 PolarHBondContact O-NZ 3.36Å
15W87.3Confident79.8Confident17 Ų1756.1 Ų56.16%0.06431%0.306CS..SBendtrans-112.1134.3-178.8-70.859.5000110.8T12 E19 L20 L23 I42 K45 E49 I50 L53T12-W15 PolarHBondContact O-N 3.14Å; W15-E19 WeakPolarHBondContact CA-OE2 3.31Å; W15-E19 HydrophobicContact CE3-CB 3.78Å; W15-E19 HydrophobicContact CZ3-CB 4.33Å; W15-L20 HydrophobicContact CB-CD1 4.4Å; W15-L20 HydrophobicContact CB-CD2 3.98Å; W15-L20 HydrophobicContact CB-CG 3.99Å; W15-L20 HydrophobicContact CD2-CD2 4.1Å; W15-L20 HydrophobicContact CE3-CD2 3.71Å; W15-L20 HydrophobicContact CE3-CG 4.27Å; W15-L20 HydrophobicContact CG-CD2 4.26Å; W15-L20 HydrophobicContact CZ3-CD2 4.47Å; W15-L23 HydrophobicContact CH2-CD2 4.06Å; W15-L23 HydrophobicContact CZ3-CB 4.19Å; W15-L23 HydrophobicContact CZ3-CD2 3.92Å; W15-I42 HydrophobicContact CH2-CD1 4.2Å; W15-I42 HydrophobicContact CZ3-CD1 4.04Å; W15-K45 HydrophobicContact CD2-CD 4.33Å; W15-K45 HydrophobicContact CD2-CG 4.33Å; W15-K45 HydrophobicContact CE3-CG 4.26Å; W15-K45 HydrophobicContact CH2-CB 4.24Å; W15-K45 HydrophobicContact CH2-CG 3.87Å; W15-K45 HydrophobicContact CZ2-CB 4.33Å; W15-K45 HydrophobicContact CZ2-CD 4.13Å; W15-K45 HydrophobicContact CZ2-CG 3.89Å; W15-K45 HydrophobicContact CZ3-CG 4.04Å; W15-E49 HydrophobicContact CZ2-CB 4.48Å; W15-I50 HydrophobicContact CH2-CG1 3.94Å; W15-I50 HydrophobicContact CZ2-CG1 4.3Å; W15-L53 HydrophobicContact CD2-CD2 3.98Å; W15-L53 HydrophobicContact CE3-CD2 4.05Å; W15-L53 HydrophobicContact CH2-CD2 3.65Å; W15-L53 HydrophobicContact CZ2-CB 4.01Å; W15-L53 HydrophobicContact CZ2-CD2 3.61Å; W15-L53 HydrophobicContact CZ2-CG 4.42Å; W15-L53 HydrophobicContact CZ3-CD2 3.9Å
16S86.5Confident81.1Confident49 Ų4955.6 Ų55.634%0.34330%0.303SS..  trans-82.3156.3170.560.40000111.6S18 E19 L20S16-S18 PolarHBondContact O-N 3.37Å; S16-S18 PolarHBondContact OG-OG 2.95Å; S16-S18 VanDerWaalsContact OG-OG 3.11Å; S16-E19 PolarHBondContact N-OE2 3.47Å; S16-E19 PolarHBondContact O-N 3.48Å; S16-E19 WeakPolarHBondContact OG-CG 3.42Å; S16-E19 PolarHBondContact OG-N 2.85Å; S16-E19 PolarHBondContact OG-OE2 3.23Å; S16-L20 PolarHBondContact O-N 3.45Å
17D81.3Confident81.8Confident114 Ų11452.9 Ų52.961%0.6129%0.286SS*.Hα-helixtrans-56.8-33176.6-68.2-21.1000112.8S21D17-S21 VanDerWaalsContact O-CB 3.27Å; D17-S21 WeakPolarHBondContact O-CB 3.49Å; D17-S21 PolarHBondContact O-N 3.22Å; D17-S21 PolarHBondContact O-OG 3.31Å
18S85.5Confident82.1Confident75 Ų7553.2 Ų53.252%0.52429%0.288SS..Hα-helixtrans-69.5-40.7176.855.30000111.9S16 S21 L22S16-S18 PolarHBondContact O-N 3.37Å; S16-S18 PolarHBondContact OG-OG 2.95Å; S16-S18 VanDerWaalsContact OG-OG 3.11Å; S18-S21 PolarHBondContact O-N 3.45Å; S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 WeakPolarHBondContact O-CG 3.34Å; S18-L22 PolarHBondContact O-N 2.97Å
19E88.6Confident82.6Confident21 Ų2159.9 Ų59.910%0.09831%0.311CS..Hα-helixtrans-65.6-42.9176-70.7166.9136.800111.7W15 S16 S21 L22 L23 I42 T44 K45W15-E19 WeakPolarHBondContact CA-OE2 3.31Å; W15-E19 HydrophobicContact CE3-CB 3.78Å; W15-E19 HydrophobicContact CZ3-CB 4.33Å; S16-E19 PolarHBondContact N-OE2 3.47Å; S16-E19 PolarHBondContact O-N 3.48Å; S16-E19 WeakPolarHBondContact OG-CG 3.42Å; S16-E19 PolarHBondContact OG-N 2.85Å; S16-E19 PolarHBondContact OG-OE2 3.23Å; E19-S21 VanDerWaalsContact C-N 3.33Å; E19-L22 PolarHBondContact O-N 3.43Å; E19-L23 WeakPolarHBondContact O-CB 3.33Å; E19-L23 PolarHBondContact O-N 3.27Å; E19-I42 HydrophobicContact CB-CG2 4.38Å; E19-I42 HydrophobicContact CG-CG2 4.25Å; E19-T44 WeakPolarHBondContact CG-OG1 3.43Å; E19-T44 WeakPolarHBondContact OE1-CB 3.41Å; E19-T44 PolarHBondContact OE1-OG1 3.45Å; E19-K45 VanDerWaalsContact OE1-CE 3.31Å; E19-K45 WeakPolarHBondContact OE1-CE 3.38Å
20L85.8Confident82.9Confident18 Ų1857.1 Ų57.19%0.09431%0.305CS..Hα-helixtrans-63.1-41.3174.9-68175.1000111.2W15 S16 L23 L24 L53 I83W15-L20 HydrophobicContact CB-CD1 4.4Å; W15-L20 HydrophobicContact CB-CD2 3.98Å; W15-L20 HydrophobicContact CB-CG 3.99Å; W15-L20 HydrophobicContact CD2-CD2 4.1Å; W15-L20 HydrophobicContact CE3-CD2 3.71Å; W15-L20 HydrophobicContact CE3-CG 4.27Å; W15-L20 HydrophobicContact CG-CD2 4.26Å; W15-L20 HydrophobicContact CZ3-CD2 4.47Å; S16-L20 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 2.57Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.84Å; L20-L53 HydrophobicContact CD2-CD2 4.04Å; L20-I83 HydrophobicContact CB-CD1 3.77Å; L20-I83 HydrophobicContact CD2-CD1 4.16Å; L20-I83 HydrophobicContact CG-CD1 4.48Å; L20-I83 WeakPolarHBondContact O-CD1 3.44Å
21S82.6Confident82.7Confident70 Ų7058.6 Ų58.649%0.4931%0.305SS..Hα-helixtrans-65-38.5175.5-630000112.5D17 S18 E19 L24 S25D17-S21 VanDerWaalsContact O-CB 3.27Å; D17-S21 WeakPolarHBondContact O-CB 3.49Å; D17-S21 PolarHBondContact O-N 3.22Å; D17-S21 PolarHBondContact O-OG 3.31Å; S18-S21 PolarHBondContact O-N 3.45Å; E19-S21 VanDerWaalsContact C-N 3.33Å; S21-L24 PolarHBondContact O-N 2.63Å; S21-S25 WeakPolarHBondContact O-CB 3.45Å; S21-S25 PolarHBondContact O-N 3.43Å; S21-S25 PolarHBondContact O-OG 3.13Å
22L87.5Confident82.7Confident69 Ų6962.2 Ų62.236%0.36133%0.331SS..Hα-helixtrans-67.1-44.9175-78.5169.3000111.5S18 E19 L24 S25 A26 F41 I42S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 WeakPolarHBondContact O-CG 3.34Å; S18-L22 PolarHBondContact O-N 2.97Å; E19-L22 PolarHBondContact O-N 3.43Å; L22-L24 VanDerWaalsContact C-N 3.31Å; L22-L24 PolarHBondContact O-N 3.49Å; L22-S25 PolarHBondContact O-N 3.22Å; L22-A26 WeakPolarHBondContact O-CB 3.46Å; L22-A26 PolarHBondContact O-N 2.84Å; L22-F41 HydrophobicContact CB-CE1 4.43Å; L22-F41 HydrophobicContact CD2-CE1 3.95Å; L22-I42 HydrophobicContact CB-CG1 4.26Å
23L86.9Confident82.8Confident0 Ų061.8 Ų61.80%033%0.326CS..Hα-helixtrans-57.3-47.8174.3178.165.3000110.5W15 E19 L20 S25 A26 L27 L38 I42 I50 L53 I83W15-L23 HydrophobicContact CH2-CD2 4.06Å; W15-L23 HydrophobicContact CZ3-CB 4.19Å; W15-L23 HydrophobicContact CZ3-CD2 3.92Å; E19-L23 WeakPolarHBondContact O-CB 3.33Å; E19-L23 PolarHBondContact O-N 3.27Å; L20-L23 PolarHBondContact O-N 2.57Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.11Å; L23-A26 WeakPolarHBondContact O-CB 3.38Å; L23-A26 PolarHBondContact O-N 2.82Å; L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.23Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 2.77Å; L23-L38 HydrophobicContact CD1-CD1 4.2Å; L23-L38 HydrophobicContact CD1-CD2 4.32Å; L23-I42 HydrophobicContact CB-CD1 3.74Å; L23-I42 HydrophobicContact CD1-CD1 3.8Å; L23-I42 HydrophobicContact CG-CD1 4.33Å; L23-I50 HydrophobicContact CD1-CG2 4.38Å; L23-L53 HydrophobicContact CD2-CD2 3.46Å; L23-L53 VanDerWaalsContact CD2-CD2 3.46Å; L23-I83 HydrophobicContact CD2-CG2 4.35Å
24L83.3Confident83.1Confident18 Ų1861 Ų619%0.09432%0.321CS..Hα-helixtrans-59.3-45.2177.8-178.454.9000111.7L20 S21 L22 A26 L27 K28 D82 I83 Q86L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 2.84Å; S21-L24 PolarHBondContact O-N 2.63Å; L22-L24 VanDerWaalsContact C-N 3.31Å; L22-L24 PolarHBondContact O-N 3.49Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.05Å; L24-L27 PolarHBondContact O-N 3.25Å; L24-K28 HydrophobicContact CD1-CD 4.24Å; L24-K28 HydrophobicContact CD1-CG 4.18Å; L24-K28 HydrophobicContact CG-CD 4.13Å; L24-K28 HydrophobicContact CG-CG 4.46Å; L24-K28 WeakPolarHBondContact O-CB 3.35Å; L24-K28 WeakPolarHBondContact O-CG 3.38Å; L24-K28 PolarHBondContact O-N 3.14Å; L24-D82 HydrophobicContact CD1-CB 3.76Å; L24-D82 HydrophobicContact CD2-CB 3.65Å; L24-D82 HydrophobicContact CG-CB 4.34Å; L24-I83 HydrophobicContact CB-CD1 4.4Å; L24-I83 HydrophobicContact CB-CG1 3.74Å; L24-I83 HydrophobicContact CD1-CG1 3.98Å; L24-I83 HydrophobicContact CD2-CG1 4.33Å; L24-I83 HydrophobicContact CG-CG1 4.22Å; L24-Q86 HydrophobicContact CD1-CB 4.36Å; L24-Q86 HydrophobicContact CD1-CG 3.69Å
25S84.5Confident83.2Confident64 Ų6457.1 Ų57.145%0.44831%0.306SS..Hα-helixtrans-62.5-40.9178.5-60.30000111.6S21 L22 L23 K28 R29S21-S25 WeakPolarHBondContact O-CB 3.45Å; S21-S25 PolarHBondContact O-N 3.43Å; S21-S25 PolarHBondContact O-OG 3.13Å; L22-S25 PolarHBondContact O-N 3.22Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.11Å; S25-K28 PolarHBondContact O-N 3.04Å; S25-R29 VanDerWaalsContact O-CB 3.31Å; S25-R29 WeakPolarHBondContact O-CB 3.16Å; S25-R29 PolarHBondContact O-N 3.06Å
26A85.7Confident83.3Confident0 Ų064 Ų640%033%0.332CS..Hα-helixtrans-62.8-48.3176.400000111.5L22 L23 L24 K28 R29 D30 F33 L38 F41L22-A26 WeakPolarHBondContact O-CB 3.46Å; L22-A26 PolarHBondContact O-N 2.84Å; L23-A26 WeakPolarHBondContact O-CB 3.38Å; L23-A26 PolarHBondContact O-N 2.82Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.05Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.83Å; A26-R29 PolarHBondContact O-N 2.85Å; A26-R29 VanDerWaalsContact O-N 3.15Å; A26-D30 PolarHBondContact O-N 3.17Å; A26-F33 HydrophobicContact CB-CD2 4.34Å; A26-L38 HydrophobicContact CB-CD2 3.65Å; A26-F41 HydrophobicContact CB-CB 4.49Å; A26-F41 HydrophobicContact CB-CD1 3.6Å; A26-F41 HydrophobicContact CB-CE1 3.9Å; A26-F41 HydrophobicContact CB-CG 3.98Å
27L82.5Confident83.5Confident2 Ų265.5 Ų65.51%0.0133%0.333CS..Hα-helixtrans-67.1-34.4179.4-64.9168.1000112.6L23 L24 R29 L38 Q86 I87 H90L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.23Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 2.77Å; L24-L27 PolarHBondContact O-N 3.25Å; L27-R29 VanDerWaalsContact C-N 3.35Å; L27-L38 HydrophobicContact CD2-CD1 3.96Å; L27-L38 HydrophobicContact CD2-CD2 4.07Å; L27-L38 HydrophobicContact CG-CD2 4.36Å; L27-Q86 HydrophobicContact CB-CB 3.59Å; L27-Q86 HydrophobicContact CB-CG 4.31Å; L27-Q86 HydrophobicContact CD1-CB 4.07Å; L27-Q86 HydrophobicContact CG-CB 4.44Å; L27-I87 HydrophobicContact CD1-CD1 4.42Å; L27-I87 HydrophobicContact CD1-CG1 3.56Å; L27-H90 HydrophobicContact CD2-CB 4.18Å; L27-H90 VanDerWaalsContact CD2-CD2 3.49Å; L27-H90 WeakPolarHBondContact CD2-CD2 3.39Å
28K79.2Confident83.9Confident106 Ų10660 Ų6046%0.46130%0.304SS..Hα-helixtrans-66.7-36.4171.7-77.5-178.2175.5173.20111.6L24 S25 A26 D82 Q86L24-K28 HydrophobicContact CD1-CD 4.24Å; L24-K28 HydrophobicContact CD1-CG 4.18Å; L24-K28 HydrophobicContact CG-CD 4.13Å; L24-K28 HydrophobicContact CG-CG 4.46Å; L24-K28 WeakPolarHBondContact O-CB 3.35Å; L24-K28 WeakPolarHBondContact O-CG 3.38Å; L24-K28 PolarHBondContact O-N 3.14Å; S25-K28 PolarHBondContact O-N 3.04Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.83Å; K28-D82 IonicContact NZ-OD1 2.72Å; K28-D82 IonicContact NZ-OD2 3.87Å; K28-D82 PolarHBondContact NZ-OD2 3.17Å; K28-Q86 HydrophobicContact CG-CG 3.91Å
29R82.3Confident84.2Confident163 Ų16357.1 Ų57.162%0.61528%0.284SS*.Hα-helixtrans-72.5-52.3-178.6-175.2177.577.3171.90.2112.2S25 A26 L27S25-R29 VanDerWaalsContact O-CB 3.31Å; S25-R29 WeakPolarHBondContact O-CB 3.16Å; S25-R29 PolarHBondContact O-N 3.06Å; A26-R29 PolarHBondContact O-N 2.85Å; A26-R29 VanDerWaalsContact O-N 3.15Å; L27-R29 VanDerWaalsContact C-N 3.35Å
30D77.1Confident84.3Confident61 Ų6161 Ų6133%0.32630%0.303SS..  trans-143.7117.7-177.2-163.7-24.2000110.8A26 S32 F33A26-D30 PolarHBondContact O-N 3.17Å; D30-S32 VanDerWaalsContact C-N 3.25Å; D30-S32 VanDerWaalsContact CG-OG 3.3Å; D30-S32 PolarHBondContact O-N 2.77Å; D30-S32 WeakPolarHBondContact OD1-CB 3.32Å; D30-S32 PolarHBondContact OD1-N 3.4Å; D30-S32 PolarHBondContact OD1-OG 3.33Å; D30-S32 PolarHBondContact OD2-OG 2.86Å; D30-F33 HydrophobicContact CB-CD1 4.31Å; D30-F33 HydrophobicContact CB-CD2 3.88Å; D30-F33 HydrophobicContact CB-CE1 4.1Å; D30-F33 HydrophobicContact CB-CE2 3.66Å; D30-F33 HydrophobicContact CB-CG 4.17Å; D30-F33 HydrophobicContact CB-CZ 3.73Å
31R70.8Confident84.5Confident155 Ų15563.1 Ų63.159%0.58531%0.311SS*.THydrogen-bonded Turntrans-79.1-13.2-179.2-50.5-178.1-153.4160.17.7112.3H90R31-H90 PolarHBondContact O-CD2 3.41Å; R31-H90 PolarHBondContact O-NE2 2.93Å
32S77.5Confident84.9Confident90 Ų9060 Ų6063%0.62929%0.289SS*.THydrogen-bonded Turntrans-88.2-5.1-178.969.20000113.3D30 S34D30-S32 VanDerWaalsContact C-N 3.25Å; D30-S32 VanDerWaalsContact CG-OG 3.3Å; D30-S32 PolarHBondContact O-N 2.77Å; D30-S32 WeakPolarHBondContact OD1-CB 3.32Å; D30-S32 PolarHBondContact OD1-N 3.4Å; D30-S32 PolarHBondContact OD1-OG 3.33Å; D30-S32 PolarHBondContact OD2-OG 2.86Å; S32-S34 PolarHBondContact O-N 3.49Å; S32-S34 VanDerWaalsContact O-N 3.11Å
33F80.6Confident85Confident22 Ų2264.8 Ų64.810%0.09631%0.309CS..  trans-58.2119.4-179.8-79.7-31.5000112.3A26 D30 E37 L38 H90A26-F33 HydrophobicContact CB-CD2 4.34Å; D30-F33 HydrophobicContact CB-CD1 4.31Å; D30-F33 HydrophobicContact CB-CD2 3.88Å; D30-F33 HydrophobicContact CB-CE1 4.1Å; D30-F33 HydrophobicContact CB-CE2 3.66Å; D30-F33 HydrophobicContact CB-CG 4.17Å; D30-F33 HydrophobicContact CB-CZ 3.73Å; F33-E37 WeakPolarHBondContact CA-OE2 3.48Å; F33-E37 HydrophobicContact CB-CB 4.02Å; F33-E37 HydrophobicContact CD1-CB 3.53Å; F33-E37 HydrophobicContact CD1-CG 4.15Å; F33-E37 HydrophobicContact CE1-CB 4.29Å; F33-E37 HydrophobicContact CG-CB 3.95Å; F33-L38 HydrophobicContact CB-CD2 3.78Å; F33-L38 HydrophobicContact CB-CG 3.9Å; F33-L38 HydrophobicContact CD2-CD2 3.97Å; F33-L38 HydrophobicContact CG-CD2 4.31Å; F33-H90 PolarHBondContact O-CE1 3.37Å; F33-H90 VanDerWaalsContact O-CE1 3.31Å; F33-H90 PolarHBondContact O-NE2 3.39Å
34S86Confident85.3Confident49 Ų4969 Ų6934%0.34334%0.335SS..  trans-58.3158.8165.965.70000111.1S32 R36 E37 L38S32-S34 PolarHBondContact O-N 3.49Å; S32-S34 VanDerWaalsContact O-N 3.11Å; S34-R36 PolarHBondContact O-N 3.14Å; S34-E37 VanDerWaalsContact CB-OE2 3.3Å; S34-E37 WeakPolarHBondContact CB-OE2 3.27Å; S34-E37 PolarHBondContact N-OE2 3.44Å; S34-E37 PolarHBondContact O-N 2.91Å; S34-E37 WeakPolarHBondContact OG-CG 3.37Å; S34-E37 PolarHBondContact OG-N 3.41Å; S34-E37 PolarHBondContact OG-OE2 2.87Å; S34-L38 PolarHBondContact O-N 3.35Å
35T85.2Confident85.7Confident37 Ų3769.1 Ų69.123%0.22734%0.335CS..Hα-helixtrans-56.2-22171.952.20000113.2A39 I50 R51 M54T35-A39 WeakPolarHBondContact O-CB 3.34Å; T35-A39 PolarHBondContact O-N 3.09Å; T35-I50 HydrophobicContact CG2-CG2 4.41Å; T35-R51 HydrophobicContact CG2-CB 4.25Å; T35-M54 HydrophobicContact CG2-SD 4.27Å
36R89.7Confident86.1Confident162 Ų16269.9 Ų69.961%0.61133%0.334SS*.Hα-helixtrans-73.8-47.1172.5178.1-176160.1167-4.5111.6S34 L38 A39 E40S34-R36 PolarHBondContact O-N 3.14Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.94Å; R36-A39 WeakPolarHBondContact O-CB 3.47Å; R36-A39 PolarHBondContact O-N 3.06Å; R36-A39 VanDerWaalsContact O-N 3.12Å; R36-E40 IonicContact CZ-OE1 3.35Å; R36-E40 IonicContact NE-OE1 2.79Å; R36-E40 PolarHBondContact NE-OE1 3.32Å; R36-E40 IonicContact NH2-OE1 3Å; R36-E40 PolarHBondContact NH2-OE1 2.86Å; R36-E40 WeakPolarHBondContact O-CG 3.29Å; R36-E40 PolarHBondContact O-N 3.11Å
37E91Very high86.3Confident79 Ų7975.3 Ų75.337%0.36936%0.358SS..Hα-helixtrans-66.5-35.9179.3-71.4158.1126.900111.6F33 S34 A39 E40 F41F33-E37 WeakPolarHBondContact CA-OE2 3.48Å; F33-E37 HydrophobicContact CB-CB 4.02Å; F33-E37 HydrophobicContact CD1-CB 3.53Å; F33-E37 HydrophobicContact CD1-CG 4.15Å; F33-E37 HydrophobicContact CE1-CB 4.29Å; F33-E37 HydrophobicContact CG-CB 3.95Å; S34-E37 VanDerWaalsContact CB-OE2 3.3Å; S34-E37 WeakPolarHBondContact CB-OE2 3.27Å; S34-E37 PolarHBondContact N-OE2 3.44Å; S34-E37 PolarHBondContact O-N 2.91Å; S34-E37 WeakPolarHBondContact OG-CG 3.37Å; S34-E37 PolarHBondContact OG-N 3.41Å; S34-E37 PolarHBondContact OG-OE2 2.87Å; E37-A39 VanDerWaalsContact C-N 3.29Å; E37-A39 PolarHBondContact O-N 2.86Å; E37-E40 PolarHBondContact O-N 3.3Å; E37-F41 WeakPolarHBondContact O-CB 3.41Å; E37-F41 PolarHBondContact O-N 3.18Å
38L89.8Confident86.7Confident0 Ų078.8 Ų78.80%038%0.379CS..Hα-helixtrans-61.2-39.3171.2-64.8174.2000111.5L23 A26 L27 F33 S34 R36 F41 I42 I50 M54L23-L38 HydrophobicContact CD1-CD1 4.2Å; L23-L38 HydrophobicContact CD1-CD2 4.32Å; A26-L38 HydrophobicContact CB-CD2 3.65Å; L27-L38 HydrophobicContact CD2-CD1 3.96Å; L27-L38 HydrophobicContact CD2-CD2 4.07Å; L27-L38 HydrophobicContact CG-CD2 4.36Å; F33-L38 HydrophobicContact CB-CD2 3.78Å; F33-L38 HydrophobicContact CB-CG 3.9Å; F33-L38 HydrophobicContact CD2-CD2 3.97Å; F33-L38 HydrophobicContact CG-CD2 4.31Å; S34-L38 PolarHBondContact O-N 3.35Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.94Å; L38-F41 PolarHBondContact O-N 2.85Å; L38-I42 WeakPolarHBondContact O-CG1 3.37Å; L38-I42 PolarHBondContact O-N 3.03Å; L38-I50 VanDerWaalsContact C-CD1 3.41Å; L38-I50 HydrophobicContact CB-CD1 3.64Å; L38-I50 HydrophobicContact CB-CG2 4.15Å; L38-I50 HydrophobicContact CD1-CG2 3.9Å; L38-M54 HydrophobicContact CD1-SD 4.33Å
39A90.8Very high87.2Confident14 Ų1476.3 Ų76.312%0.11637%0.369CS..Hα-helixtrans-67.4-41.9176.200000111.9T35 R36 E37 F41 I42 Q43 K45 I50T35-A39 WeakPolarHBondContact O-CB 3.34Å; T35-A39 PolarHBondContact O-N 3.09Å; R36-A39 WeakPolarHBondContact O-CB 3.47Å; R36-A39 PolarHBondContact O-N 3.06Å; R36-A39 VanDerWaalsContact O-N 3.12Å; E37-A39 VanDerWaalsContact C-N 3.29Å; E37-A39 PolarHBondContact O-N 2.86Å; A39-F41 PolarHBondContact O-N 3.4Å; A39-I42 PolarHBondContact O-N 3.33Å; A39-Q43 WeakPolarHBondContact O-CA 3.25Å; A39-Q43 PolarHBondContact O-N 3.43Å; A39-K45 WeakPolarHBondContact CA-O 3.24Å; A39-K45 VanDerWaalsContact CB-O 3.27Å; A39-K45 WeakPolarHBondContact CB-O 3.44Å; A39-I50 HydrophobicContact CB-CD1 3.71Å
40E92.2Very high87.5Confident103 Ų10368.6 Ų68.648%0.48134%0.34SS..Hα-helixtrans-63.4-32174.2-70.7174-173.200111.7R36 E37 Q43R36-E40 IonicContact CZ-OE1 3.35Å; R36-E40 IonicContact NE-OE1 2.79Å; R36-E40 PolarHBondContact NE-OE1 3.32Å; R36-E40 IonicContact NH2-OE1 3Å; R36-E40 PolarHBondContact NH2-OE1 2.86Å; R36-E40 WeakPolarHBondContact O-CG 3.29Å; R36-E40 PolarHBondContact O-N 3.11Å; E37-E40 PolarHBondContact O-N 3.3Å; E40-Q43 WeakPolarHBondContact O-CG 3.27Å
41F89.7Confident87.9Confident61 Ų6171.6 Ų71.627%0.26835%0.347SS..Hα-helixtrans-73.8-43.8176.7-169.3-90000113.1L22 A26 E37 L38 A39L22-F41 HydrophobicContact CB-CE1 4.43Å; L22-F41 HydrophobicContact CD2-CE1 3.95Å; A26-F41 HydrophobicContact CB-CB 4.49Å; A26-F41 HydrophobicContact CB-CD1 3.6Å; A26-F41 HydrophobicContact CB-CE1 3.9Å; A26-F41 HydrophobicContact CB-CG 3.98Å; E37-F41 WeakPolarHBondContact O-CB 3.41Å; E37-F41 PolarHBondContact O-N 3.18Å; L38-F41 PolarHBondContact O-N 2.85Å; A39-F41 PolarHBondContact O-N 3.4Å
42I90Very high88.6Confident6 Ų668.1 Ų68.13%0.03134%0.337CS..Hα-helixtrans-79.3-30.2-177.6-64165.9000111.4W15 E19 L22 L23 L38 A39 T44 K45 I50W15-I42 HydrophobicContact CH2-CD1 4.2Å; W15-I42 HydrophobicContact CZ3-CD1 4.04Å; E19-I42 HydrophobicContact CB-CG2 4.38Å; E19-I42 HydrophobicContact CG-CG2 4.25Å; L22-I42 HydrophobicContact CB-CG1 4.26Å; L23-I42 HydrophobicContact CB-CD1 3.74Å; L23-I42 HydrophobicContact CD1-CD1 3.8Å; L23-I42 HydrophobicContact CG-CD1 4.33Å; L38-I42 WeakPolarHBondContact O-CG1 3.37Å; L38-I42 PolarHBondContact O-N 3.03Å; A39-I42 PolarHBondContact O-N 3.33Å; I42-T44 WeakPolarHBondContact CG2-OG1 3.36Å; I42-T44 PolarHBondContact O-N 2.95Å; I42-K45 HydrophobicContact CG2-CB 4.07Å; I42-K45 HydrophobicContact CG2-CG 3.96Å; I42-I50 HydrophobicContact CD1-CD1 3.99Å; I42-I50 HydrophobicContact CD1-CG1 4.5Å
43Q91.2Very high88.9Confident168 Ų16863.9 Ų63.979%0.78531%0.307SS*.SBendtrans64.7-30.2179.4-56.5-176.16.400116.3A39 E40A39-Q43 WeakPolarHBondContact O-CA 3.25Å; A39-Q43 PolarHBondContact O-N 3.43Å; E40-Q43 WeakPolarHBondContact O-CG 3.27Å
44T92.7Very high88.9Confident88 Ų8863.3 Ų63.354%0.5431%0.305SS..SBendtrans-91.2-12.9-179.957.50000113.6E19 I42E19-T44 WeakPolarHBondContact CG-OG1 3.43Å; E19-T44 WeakPolarHBondContact OE1-CB 3.41Å; E19-T44 PolarHBondContact OE1-OG1 3.45Å; I42-T44 WeakPolarHBondContact CG2-OG1 3.36Å; I42-T44 PolarHBondContact O-N 2.95Å
45K91Very high88.5Confident21 Ų2163.1 Ų63.19%0.09131%0.307CS..SBendtrans-117.4142.6-179.3-63.4-62.8-179.7-169.30111.5E14 W15 E19 A39 I42 E49 I50E14-K45 PolarHBondContact O-NZ 3.36Å; W15-K45 HydrophobicContact CD2-CD 4.33Å; W15-K45 HydrophobicContact CD2-CG 4.33Å; W15-K45 HydrophobicContact CE3-CG 4.26Å; W15-K45 HydrophobicContact CH2-CB 4.24Å; W15-K45 HydrophobicContact CH2-CG 3.87Å; W15-K45 HydrophobicContact CZ2-CB 4.33Å; W15-K45 HydrophobicContact CZ2-CD 4.13Å; W15-K45 HydrophobicContact CZ2-CG 3.89Å; W15-K45 HydrophobicContact CZ3-CG 4.04Å; E19-K45 VanDerWaalsContact OE1-CE 3.31Å; E19-K45 WeakPolarHBondContact OE1-CE 3.38Å; A39-K45 WeakPolarHBondContact CA-O 3.24Å; A39-K45 VanDerWaalsContact CB-O 3.27Å; A39-K45 WeakPolarHBondContact CB-O 3.44Å; I42-K45 HydrophobicContact CG2-CB 4.07Å; I42-K45 HydrophobicContact CG2-CG 3.96Å; K45-E49 WeakPolarHBondContact CA-OE2 3.18Å; K45-E49 HydrophobicContact CD-CB 4.31Å; K45-E49 VanDerWaalsContact CD-OE1 3.27Å; K45-E49 WeakPolarHBondContact CD-OE1 3.31Å; K45-E49 IonicContact NZ-OE1 2.74Å; K45-E49 PolarHBondContact NZ-OE1 2.87Å; K45-I50 HydrophobicContact CB-CG1 4.18Å
46N92.5Very high88.1Confident81 Ų8161.5 Ų61.543%0.43330%0.297SS..  trans-91.9163.2174.874.859.4000111.8T48 E49 I50N46-T48 PolarHBondContact O-N 3.43Å; N46-T48 VanDerWaalsContact OD1-CA 3.32Å; N46-T48 WeakPolarHBondContact OD1-CA 3.5Å; N46-T48 WeakPolarHBondContact OD1-CB 3.28Å; N46-T48 PolarHBondContact OD1-N 2.76Å; N46-E49 PolarHBondContact N-OE2 3.3Å; N46-E49 PolarHBondContact ND2-OE2 2.73Å; N46-E49 PolarHBondContact O-N 2.94Å; N46-E49 VanDerWaalsContact O-N 3.13Å; N46-E49 PolarHBondContact OD1-N 3.13Å; N46-I50 WeakPolarHBondContact O-CG1 3.25Å; N46-I50 PolarHBondContact O-N 3.04Å; N46-I50 VanDerWaalsContact O-N 3.11Å
47K91.1Very high87.3Confident114 Ų11454.3 Ų54.350%0.49627%0.271SS..Hα-helixtrans-57.4-24-178.669.5179.2-180-178.70114.7R51K47-R51 WeakPolarHBondContact O-CB 3.45Å; K47-R51 PolarHBondContact O-N 2.74Å
48T91.1Very high86.2Confident75 Ų7554.6 Ų54.646%0.4627%0.273SS..Hα-helixtrans-79-45.3179.2-54.20000109.8N46 I50 R51 E52N46-T48 PolarHBondContact O-N 3.43Å; N46-T48 VanDerWaalsContact OD1-CA 3.32Å; N46-T48 WeakPolarHBondContact OD1-CA 3.5Å; N46-T48 WeakPolarHBondContact OD1-CB 3.28Å; N46-T48 PolarHBondContact OD1-N 2.76Å; T48-I50 VanDerWaalsContact C-N 3.32Å; T48-I50 PolarHBondContact O-N 2.72Å; T48-R51 PolarHBondContact O-N 3.42Å; T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 PolarHBondContact O-N 2.79Å
49E89.2Confident85.3Confident54 Ų5459.7 Ų59.725%0.25230%0.3SS..Hα-helixtrans-59.1-43.8175.2-67.2170.798.300111.5W15 K45 N46 R51 E52 L53W15-E49 HydrophobicContact CZ2-CB 4.48Å; K45-E49 WeakPolarHBondContact CA-OE2 3.18Å; K45-E49 HydrophobicContact CD-CB 4.31Å; K45-E49 VanDerWaalsContact CD-OE1 3.27Å; K45-E49 WeakPolarHBondContact CD-OE1 3.31Å; K45-E49 IonicContact NZ-OE1 2.74Å; K45-E49 PolarHBondContact NZ-OE1 2.87Å; N46-E49 PolarHBondContact N-OE2 3.3Å; N46-E49 PolarHBondContact ND2-OE2 2.73Å; N46-E49 PolarHBondContact O-N 2.94Å; N46-E49 VanDerWaalsContact O-N 3.13Å; N46-E49 PolarHBondContact OD1-N 3.13Å; E49-R51 PolarHBondContact O-N 2.96Å; E49-E52 PolarHBondContact O-N 3.13Å; E49-L53 PolarHBondContact O-N 3.35Å
50I88.3Confident84Confident0 Ų059.2 Ų59.20%030%0.296CS..Hα-helixtrans-61.9-46.4177-62.6-178.9000110.8W15 L23 T35 L38 A39 I42 K45 N46 T48 E52 L53 M54W15-I50 HydrophobicContact CH2-CG1 3.94Å; W15-I50 HydrophobicContact CZ2-CG1 4.3Å; L23-I50 HydrophobicContact CD1-CG2 4.38Å; T35-I50 HydrophobicContact CG2-CG2 4.41Å; L38-I50 VanDerWaalsContact C-CD1 3.41Å; L38-I50 HydrophobicContact CB-CD1 3.64Å; L38-I50 HydrophobicContact CB-CG2 4.15Å; L38-I50 HydrophobicContact CD1-CG2 3.9Å; A39-I50 HydrophobicContact CB-CD1 3.71Å; I42-I50 HydrophobicContact CD1-CD1 3.99Å; I42-I50 HydrophobicContact CD1-CG1 4.5Å; K45-I50 HydrophobicContact CB-CG1 4.18Å; N46-I50 WeakPolarHBondContact O-CG1 3.25Å; N46-I50 PolarHBondContact O-N 3.04Å; N46-I50 VanDerWaalsContact O-N 3.11Å; T48-I50 VanDerWaalsContact C-N 3.32Å; T48-I50 PolarHBondContact O-N 2.72Å; I50-E52 VanDerWaalsContact C-N 3.29Å; I50-E52 PolarHBondContact O-N 2.83Å; I50-L53 PolarHBondContact O-N 2.9Å; I50-M54 HydrophobicContact CG2-CG 4.48Å; I50-M54 HydrophobicContact CG2-SD 3.98Å; I50-M54 VanDerWaalsContact O-CG 3.28Å; I50-M54 WeakPolarHBondContact O-CG 3.36Å; I50-M54 PolarHBondContact O-N 3.48Å
51R85.2Confident82.2Confident125 Ų12555.7 Ų55.747%0.47229%0.287SS..Hα-helixtrans-63.7-38.8179-167.4-171.8-42145.220.8111.6T35 K47 T48 E49 M54 A55T35-R51 HydrophobicContact CG2-CB 4.25Å; K47-R51 WeakPolarHBondContact O-CB 3.45Å; K47-R51 PolarHBondContact O-N 2.74Å; T48-R51 PolarHBondContact O-N 3.42Å; E49-R51 PolarHBondContact O-N 2.96Å; R51-M54 PolarHBondContact O-N 3.44Å; R51-A55 VanDerWaalsContact O-CB 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.45Å; R51-A55 PolarHBondContact O-N 3.33Å
52E85Confident80.2Confident81 Ų8154.2 Ų54.238%0.37929%0.289SS..Hα-helixtrans-66-43.9178.2-175.5163.1-148.200111.4K7 V11 T48 E49 I50 A55 C56K7-E52 WeakPolarHBondContact CE-OE1 3.41Å; V11-E52 HydrophobicContact CG1-CG 4.4Å; V11-E52 HydrophobicContact CG2-CG 3.76Å; T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 PolarHBondContact O-N 2.79Å; E49-E52 PolarHBondContact O-N 3.13Å; I50-E52 VanDerWaalsContact C-N 3.29Å; I50-E52 PolarHBondContact O-N 2.83Å; E52-A55 PolarHBondContact O-N 3.28Å; E52-C56 WeakPolarHBondContact O-CB 3.49Å; E52-C56 PolarHBondContact O-N 2.99Å; E52-C56 PolarHBondContact O-SG 3.02Å
53L84.8Confident78.3Confident1 Ų162.8 Ų62.81%0.00533%0.326CS..Hα-helixtrans-58.6-49.9172.7178.767.3000111.3V11 T12 W15 L20 L23 E49 I50 A55 C56 L57V11-L53 HydrophobicContact CG1-CB 3.92Å; V11-L53 HydrophobicContact CG1-CD1 3.99Å; T12-L53 HydrophobicContact CG2-CD1 3.69Å; W15-L53 HydrophobicContact CD2-CD2 3.98Å; W15-L53 HydrophobicContact CE3-CD2 4.05Å; W15-L53 HydrophobicContact CH2-CD2 3.65Å; W15-L53 HydrophobicContact CZ2-CB 4.01Å; W15-L53 HydrophobicContact CZ2-CD2 3.61Å; W15-L53 HydrophobicContact CZ2-CG 4.42Å; W15-L53 HydrophobicContact CZ3-CD2 3.9Å; L20-L53 HydrophobicContact CD2-CD2 4.04Å; L23-L53 HydrophobicContact CD2-CD2 3.46Å; L23-L53 VanDerWaalsContact CD2-CD2 3.46Å; E49-L53 PolarHBondContact O-N 3.35Å; I50-L53 PolarHBondContact O-N 2.9Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 2.78Å; L53-C56 PolarHBondContact O-N 2.93Å; L53-L57 HydrophobicContact CD1-CD1 3.88Å; L53-L57 HydrophobicContact CD1-CG 4.26Å; L53-L57 HydrophobicContact CG-CD1 3.84Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 3.44Å
54M80.4Confident76.4Confident10 Ų1056 Ų565%0.04930%0.295CS..Hα-helixtrans-59.2-43.5178.1-68.4175.989.900111.8T35 L38 I50 R51 L57 M58 I87 H90T35-M54 HydrophobicContact CG2-SD 4.27Å; L38-M54 HydrophobicContact CD1-SD 4.33Å; I50-M54 HydrophobicContact CG2-CG 4.48Å; I50-M54 HydrophobicContact CG2-SD 3.98Å; I50-M54 VanDerWaalsContact O-CG 3.28Å; I50-M54 WeakPolarHBondContact O-CG 3.36Å; I50-M54 PolarHBondContact O-N 3.48Å; R51-M54 PolarHBondContact O-N 3.44Å; M54-L57 PolarHBondContact O-N 2.88Å; M54-M58 WeakPolarHBondContact O-CG 3.47Å; M54-M58 PolarHBondContact O-N 3.5Å; M54-I87 HydrophobicContact CB-CD1 4.48Å; M54-I87 HydrophobicContact CB-CG2 3.9Å; M54-I87 HydrophobicContact CE-CB 4.4Å; M54-I87 HydrophobicContact CE-CG1 4.19Å; M54-I87 HydrophobicContact CE-CG2 3.94Å; M54-I87 HydrophobicContact CG-CD1 3.81Å; M54-I87 HydrophobicContact CG-CG1 3.97Å; M54-I87 HydrophobicContact CG-CG2 3.91Å; M54-H90 HydrophobicContact CE-CB 4.09Å
55A77.4Confident74.3Confident45 Ų4553.3 Ų53.337%0.37228%0.277SS..Hα-helixtrans-64.1-45.3177.700000111.8R51 E52 L53 L57 M58 D59R51-A55 VanDerWaalsContact O-CB 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.45Å; R51-A55 PolarHBondContact O-N 3.33Å; E52-A55 PolarHBondContact O-N 3.28Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 2.78Å; A55-L57 VanDerWaalsContact C-N 3.35Å; A55-L57 PolarHBondContact O-N 2.88Å; A55-M58 PolarHBondContact O-N 3.35Å; A55-D59 VanDerWaalsContact O-CB 3.27Å; A55-D59 WeakPolarHBondContact O-CB 3.35Å; A55-D59 PolarHBondContact O-N 2.83Å
56C76Confident72.1Confident3 Ų357.8 Ų57.82%0.0230%0.299CS..Hα-helixtrans-63-42.9178.6-660000111.5L8 E52 L53 M58 D59 V60L8-C56 HydrophobicContact CB-CB 4.31Å; L8-C56 HydrophobicContact CD1-CB 3.92Å; E52-C56 WeakPolarHBondContact O-CB 3.49Å; E52-C56 PolarHBondContact O-N 2.99Å; E52-C56 PolarHBondContact O-SG 3.02Å; L53-C56 PolarHBondContact O-N 2.93Å; C56-M58 VanDerWaalsContact C-N 3.3Å; C56-M58 PolarHBondContact O-N 2.62Å; C56-D59 PolarHBondContact O-N 2.83Å; C56-V60 WeakPolarHBondContact O-CG2 3.23Å; C56-V60 PolarHBondContact O-N 2.88Å; C56-V60 VanDerWaalsContact O-N 3.11Å
57L73.1Confident69.9Low12 Ų1256.1 Ų56.16%0.06329%0.29CS..Hα-helixtrans-63.7-35.7177.8-74168.5000112.3L8 L53 M54 A55 I83 L84 I87L8-L57 HydrophobicContact CD1-CD2 3.52Å; L8-L57 HydrophobicContact CD1-CG 3.74Å; L8-L57 HydrophobicContact CD2-CD2 4.11Å; L8-L57 HydrophobicContact CG-CD2 4.47Å; L53-L57 HydrophobicContact CD1-CD1 3.88Å; L53-L57 HydrophobicContact CD1-CG 4.26Å; L53-L57 HydrophobicContact CG-CD1 3.84Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 3.44Å; M54-L57 PolarHBondContact O-N 2.88Å; A55-L57 VanDerWaalsContact C-N 3.35Å; A55-L57 PolarHBondContact O-N 2.88Å; L57-I83 HydrophobicContact CD1-CG2 3.82Å; L57-L84 HydrophobicContact CB-CG 4.25Å; L57-L84 HydrophobicContact CD2-CD1 3.71Å; L57-L84 HydrophobicContact CD2-CG 3.97Å; L57-I87 HydrophobicContact CD1-CD1 3.36Å
58M69.5Low67.7Low84 Ų8455.9 Ų55.941%0.41430%0.3SS..Hα-helixtrans-74.3-33.2174.4-70.1-171.2-64.700113.1M54 A55 C56 I87 S91M54-M58 WeakPolarHBondContact O-CG 3.47Å; M54-M58 PolarHBondContact O-N 3.5Å; A55-M58 PolarHBondContact O-N 3.35Å; C56-M58 VanDerWaalsContact C-N 3.3Å; C56-M58 PolarHBondContact O-N 2.62Å; M58-I87 HydrophobicContact CG-CG2 4.29Å; M58-S91 WeakPolarHBondContact SD-CB 3.34Å; M58-S91 PolarHBondContact SD-OG 3.11Å; M58-S91 VanDerWaalsContact SD-OG 3.32Å
59D69.8Low65.5Low107 Ų10760.6 Ų60.657%0.57232%0.316SS*.Hα-helixtrans-79-16.6-177-164.952.8000113.5A55 C56 G61A55-D59 VanDerWaalsContact O-CB 3.27Å; A55-D59 WeakPolarHBondContact O-CB 3.35Å; A55-D59 PolarHBondContact O-N 2.83Å; C56-D59 PolarHBondContact O-N 2.83Å; D59-G61 VanDerWaalsContact C-N 3.29Å; D59-G61 PolarHBondContact O-N 2.74Å
60V62.9Low63.5Low4 Ų459.8 Ų59.82%0.02431%0.314CS..  trans-73.486.1170.6176.80000109.7L5 L8 C56 N64 L65 R108L5-V60 HydrophobicContact CD2-CG1 3.87Å; L5-V60 HydrophobicContact CD2-CG2 4.25Å; L5-V60 HydrophobicContact CG-CG1 4.48Å; L8-V60 HydrophobicContact CB-CG2 3.91Å; L8-V60 HydrophobicContact CD2-CB 4.47Å; L8-V60 HydrophobicContact CD2-CG2 3.77Å; L8-V60 HydrophobicContact CG-CG2 4.4Å; C56-V60 WeakPolarHBondContact O-CG2 3.23Å; C56-V60 PolarHBondContact O-N 2.88Å; C56-V60 VanDerWaalsContact O-N 3.11Å; V60-N64 HydrophobicContact CG1-CB 4.19Å; V60-L65 HydrophobicContact CG1-CD1 3.94Å; V60-L65 HydrophobicContact CG1-CD2 3.87Å; V60-L65 HydrophobicContact CG1-CG 3.63Å; V60-R108 VanDerWaalsContact O-CZ 3.26Å; V60-R108 PolarHBondContact O-NH1 3.3Å
61G55.5Low61.3Low29 Ų2966.2 Ų66.230%0.29935%0.353SS..  trans-64.5150.3170.200000112.4D59 K63 N64D59-G61 VanDerWaalsContact C-N 3.29Å; D59-G61 PolarHBondContact O-N 2.74Å; G61-K63 PolarHBondContact O-N 2.89Å; G61-N64 PolarHBondContact N-ND2 3.22Å; G61-N64 WeakPolarHBondContact O-CB 3.12Å; G61-N64 PolarHBondContact O-N 3.06Å
62G47.6Very low59.4Low30 Ų3062.8 Ų62.831%0.30935%0.346SS..THydrogen-bonded Turntrans-56.3-24.9-17000000116.3N64G62-N64 PolarHBondContact O-N 3.4Å
63K49.5Very low57.3Low186 Ų18661.7 Ų61.781%0.80935%0.346SS*.THydrogen-bonded Turntrans-67.1-25.9175.4-61.6-174.8-179-178.60113.2G61G61-K63 PolarHBondContact O-N 2.89Å
64N51.1Low55.4Low25 Ų2571.1 Ų71.113%0.13439%0.39CS..G310 helixtrans-73.9-34-175.2-61.6-23.1000110.5L2 S4 L5 V60 G61 G62 Q66L2-N64 HydrophobicContact CD1-CB 4.12Å; L2-N64 WeakPolarHBondContact CD1-OD1 3.31Å; S4-N64 PolarHBondContact OG-ND2 3.26Å; L5-N64 HydrophobicContact CD1-CB 3.67Å; L5-N64 WeakPolarHBondContact CD1-O 3.36Å; L5-N64 HydrophobicContact CG-CB 3.88Å; V60-N64 HydrophobicContact CG1-CB 4.19Å; G61-N64 PolarHBondContact N-ND2 3.22Å; G61-N64 WeakPolarHBondContact O-CB 3.12Å; G61-N64 PolarHBondContact O-N 3.06Å; G62-N64 PolarHBondContact O-N 3.4Å; N64-Q66 VanDerWaalsContact C-N 3.31Å; N64-Q66 PolarHBondContact O-N 3.48Å
65L48.9Very low53.6Low32 Ų3272.3 Ų72.317%0.16840%0.397CS..G310 helixtrans-79.3-7.5-177.6-68.2169.8000114.9L5 V60 R108 W112L5-L65 HydrophobicContact CD2-CD2 3.87Å; V60-L65 HydrophobicContact CG1-CD1 3.94Å; V60-L65 HydrophobicContact CG1-CD2 3.87Å; V60-L65 HydrophobicContact CG1-CG 3.63Å; L65-R108 HydrophobicContact CD1-CB 3.78Å; L65-R108 HydrophobicContact CD1-CG 3.73Å; L65-W112 HydrophobicContact CD1-CZ3 4.5Å; L65-W112 HydrophobicContact CD2-CE3 4.17Å; L65-W112 HydrophobicContact CD2-CH2 4.41Å; L65-W112 HydrophobicContact CD2-CZ3 3.54Å
66Q44.6Very low52.2Low116 Ų11677.7 Ų77.754%0.54241%0.413SS..G310 helixtrans-88.8-1.6179.9-66.8-175.3-0.600113.6N64 P68 T111N64-Q66 VanDerWaalsContact C-N 3.31Å; N64-Q66 PolarHBondContact O-N 3.48Å; Q66-P68 WeakPolarHBondContact O-CD 3.47Å; Q66-T111 HydrophobicContact CG-CG2 4.15Å
67D47Very low50.8Low46 Ų4680.7 Ų80.725%0.24643%0.432CS..  trans-75110.2-179.4-174-13.1000109.9Q69 I70D67-Q69 PolarHBondContact O-N 2.94Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; D67-Q69 PolarHBondContact OD1-N 3.28Å; D67-Q69 VanDerWaalsContact OD1-N 3.14Å; D67-I70 HydrophobicContact CB-CD1 3.65Å; D67-I70 HydrophobicContact CB-CG1 3.9Å; D67-I70 WeakPolarHBondContact O-CB 3.19Å; D67-I70 WeakPolarHBondContact O-CG1 3.41Å; D67-I70 PolarHBondContact O-N 3.47Å; D67-I70 VanDerWaalsContact O-N 3.13Å
68P45.1Very low49.8Very low109 Ų10986.6 Ų86.671%0.70846%0.459SS*.THydrogen-bonded Turntrans-69.3-9.9-174.18.7-0.6000113.5Q66 I70Q66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-I70 PolarHBondContact O-N 3.35Å
69Q43.5Very low49.2Very low173 Ų17383.8 Ų83.881%0.80845%0.452SS*.THydrogen-bonded Turntrans-80.20.3174.8-61-173.11500112.9D67 T71D67-Q69 PolarHBondContact O-N 2.94Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; D67-Q69 PolarHBondContact OD1-N 3.28Å; D67-Q69 VanDerWaalsContact OD1-N 3.14Å; Q69-T71 PolarHBondContact O-N 2.83Å
70I47.7Very low48.8Very low38 Ų3880 Ų8020%0.19543%0.434CS..  trans-9892.8-177.7-53.9-176.3000108.5L5 D67 P68 V72L5-I70 HydrophobicContact CD1-CD1 3.12Å; L5-I70 HydrophobicContact CG-CD1 4.26Å; D67-I70 HydrophobicContact CB-CD1 3.65Å; D67-I70 HydrophobicContact CB-CG1 3.9Å; D67-I70 WeakPolarHBondContact O-CB 3.19Å; D67-I70 WeakPolarHBondContact O-CG1 3.41Å; D67-I70 PolarHBondContact O-N 3.47Å; D67-I70 VanDerWaalsContact O-N 3.13Å; P68-I70 PolarHBondContact O-N 3.35Å; I70-V72 VanDerWaalsContact C-N 3.29Å; I70-V72 HydrophobicContact CG2-CG2 3.8Å; I70-V72 PolarHBondContact O-N 3.37Å
71T42.8Very low48.8Very low134 Ų13482 Ų8282%0.82244%0.444SS*.  trans-68.293.7158.112.30000107.5Q69Q69-T71 PolarHBondContact O-N 2.83Å
72V44.6Very low49.2Very low54 Ų5482.9 Ų82.933%0.32744%0.442SS..  trans-65.2130.3165.6-172.40000106.2I70 W112I70-V72 VanDerWaalsContact C-N 3.29Å; I70-V72 HydrophobicContact CG2-CG2 3.8Å; I70-V72 PolarHBondContact O-N 3.37Å; V72-W112 HydrophobicContact CB-CH2 3.81Å; V72-W112 HydrophobicContact CB-CZ2 3.39Å; V72-W112 HydrophobicContact CG1-CH2 3.58Å; V72-W112 HydrophobicContact CG1-CZ2 3.47Å; V72-W112 VanDerWaalsContact CG1-CZ2 3.47Å; V72-W112 HydrophobicContact CG2-CH2 3.45Å; V72-W112 VanDerWaalsContact CG2-CH2 3.45Å; V72-W112 HydrophobicContact CG2-CZ2 3.39Å; V72-W112 HydrophobicContact CG2-CZ3 4.38Å
73P42Very low50.3Low58 Ų5881.9 Ų81.938%0.37743%0.429SS..  trans-56.1157.717522.8-29.3000108.5Y9 V75Y9-P73 HydrophobicContact CD2-CG 4.18Å; Y9-P73 HydrophobicContact CE2-CG 3.74Å; P73-V75 HydrophobicContact CG-CG2 4.2Å; P73-V75 PolarHBondContact O-N 3.46Å
74E43.2Very low51.2Low199 Ų19974.2 Ų74.293%0.9340%0.397SS*.  trans-59.963.3178.6-76.5-176.1138.500112.3K76E74-K76 PolarHBondContact O-N 3.39Å
75V43.4Very low52.1Low34 Ų3474.2 Ų74.221%0.20640%0.397CS..  trans-81.7109.2162.5-159.30000103.2P73 P77 S80P73-V75 HydrophobicContact CG-CG2 4.2Å; P73-V75 PolarHBondContact O-N 3.46Å; V75-P77 WeakPolarHBondContact O-CD 3.44Å; V75-S80 WeakPolarHBondContact CB-OG 3.49Å; V75-S80 WeakPolarHBondContact CG1-OG 3.27Å
76K47.5Very low53.2Low159 Ų15973.6 Ų73.669%0.69139%0.393SS*.  trans-45.4118.4-179.9-77.7-175.8177.2179.80108.7E74 E78 G79 S80E74-K76 PolarHBondContact O-N 3.39Å; K76-E78 PolarHBondContact O-N 2.92Å; K76-G79 PolarHBondContact O-N 3.03Å; K76-S80 PolarHBondContact O-N 2.87Å
77P48.3Very low54.5Low65 Ų6568.1 Ų68.142%0.42237%0.367SS..Hα-helixtrans-57-29.7-168.415.8-27.9000111.8V75 G79 I81V75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-G79 VanDerWaalsContact C-N 3.34Å; P77-G79 PolarHBondContact O-N 3.3Å; P77-I81 WeakPolarHBondContact O-CB 3.23Å; P77-I81 WeakPolarHBondContact O-CD1 3.35Å; P77-I81 WeakPolarHBondContact O-CG1 3.35Å; P77-I81 PolarHBondContact O-N 3.17Å
78E50.2Low55.5Low136 Ų13666.2 Ų66.264%0.63636%0.358SS*.Hα-helixtrans-61.1-40.3176.5-56.3105.1179.400112.6K76 D82K76-E78 PolarHBondContact O-N 2.92Å; E78-D82 VanDerWaalsContact O-CB 3.23Å; E78-D82 WeakPolarHBondContact O-CB 3.46Å; E78-D82 PolarHBondContact O-N 2.94Å; E78-D82 VanDerWaalsContact O-N 3.15Å
79G57.8Low56.6Low26 Ų2665.3 Ų65.327%0.26834%0.34SS..Hα-helixtrans-73.7-42.3-177.400000113.1K76 P77 D82 I83K76-G79 PolarHBondContact O-N 3.03Å; P77-G79 VanDerWaalsContact C-N 3.34Å; P77-G79 PolarHBondContact O-N 3.3Å; G79-D82 PolarHBondContact O-N 2.89Å; G79-I83 WeakPolarHBondContact O-CB 3.35Å; G79-I83 WeakPolarHBondContact O-CD1 3.07Å; G79-I83 WeakPolarHBondContact O-CG1 3.31Å; G79-I83 PolarHBondContact O-N 3.45Å
80S61.6Low57.9Low28 Ų2859.2 Ų59.220%0.19631%0.312CS..Hα-helixtrans-65.5-45.4179.8-57.70000112.1V75 K76 D82 I83 L84V75-S80 WeakPolarHBondContact CB-OG 3.49Å; V75-S80 WeakPolarHBondContact CG1-OG 3.27Å; K76-S80 PolarHBondContact O-N 2.87Å; S80-D82 VanDerWaalsContact C-N 3.35Å; S80-I83 PolarHBondContact O-N 3.25Å; S80-L84 WeakPolarHBondContact O-CB 3.36Å; S80-L84 PolarHBondContact O-N 2.77Å
81I62.7Low58.8Low44 Ų4459.1 Ų59.123%0.22631%0.314CS..Hα-helixtrans-65.3-42.6178-68163000109.8P77 I83 L84 L85 V105 A109P77-I81 WeakPolarHBondContact O-CB 3.23Å; P77-I81 WeakPolarHBondContact O-CD1 3.35Å; P77-I81 WeakPolarHBondContact O-CG1 3.35Å; P77-I81 PolarHBondContact O-N 3.17Å; I81-I83 PolarHBondContact O-N 3.04Å; I81-L84 PolarHBondContact O-N 3.35Å; I81-L85 HydrophobicContact CG2-CD1 3.88Å; I81-L85 HydrophobicContact CG2-CG 4.31Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.35Å; I81-V105 HydrophobicContact CG2-CG1 4.06Å; I81-A109 HydrophobicContact CD1-CB 3.4Å; I81-A109 VanDerWaalsContact CD1-CB 3.4Å; I81-A109 HydrophobicContact CG1-CB 4.05Å; I81-A109 HydrophobicContact CG2-CB 4.39Å
82D64.4Low59.8Low48 Ų4854.5 Ų54.526%0.25729%0.287SS..Hα-helixtrans-61.5-44175.9-107.6-23.2000111.9L24 K28 E78 G79 S80 L85 Q86L24-D82 HydrophobicContact CD1-CB 3.76Å; L24-D82 HydrophobicContact CD2-CB 3.65Å; L24-D82 HydrophobicContact CG-CB 4.34Å; K28-D82 IonicContact NZ-OD1 2.72Å; K28-D82 IonicContact NZ-OD2 3.87Å; K28-D82 PolarHBondContact NZ-OD2 3.17Å; E78-D82 VanDerWaalsContact O-CB 3.23Å; E78-D82 WeakPolarHBondContact O-CB 3.46Å; E78-D82 PolarHBondContact O-N 2.94Å; E78-D82 VanDerWaalsContact O-N 3.15Å; G79-D82 PolarHBondContact O-N 2.89Å; S80-D82 VanDerWaalsContact C-N 3.35Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 PolarHBondContact O-N 3.02Å; D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-N 2.85Å
83I69.3Low60.7Low10 Ų1056 Ų565%0.05130%0.296CS..Hα-helixtrans-62.4-45.9176.4-71.5165.9000110L20 L23 L24 L57 G79 S80 I81 L85 Q86 I87L20-I83 HydrophobicContact CB-CD1 3.77Å; L20-I83 HydrophobicContact CD2-CD1 4.16Å; L20-I83 HydrophobicContact CG-CD1 4.48Å; L20-I83 WeakPolarHBondContact O-CD1 3.44Å; L23-I83 HydrophobicContact CD2-CG2 4.35Å; L24-I83 HydrophobicContact CB-CD1 4.4Å; L24-I83 HydrophobicContact CB-CG1 3.74Å; L24-I83 HydrophobicContact CD1-CG1 3.98Å; L24-I83 HydrophobicContact CD2-CG1 4.33Å; L24-I83 HydrophobicContact CG-CG1 4.22Å; L57-I83 HydrophobicContact CD1-CG2 3.82Å; G79-I83 WeakPolarHBondContact O-CB 3.35Å; G79-I83 WeakPolarHBondContact O-CD1 3.07Å; G79-I83 WeakPolarHBondContact O-CG1 3.31Å; G79-I83 PolarHBondContact O-N 3.45Å; S80-I83 PolarHBondContact O-N 3.25Å; I81-I83 PolarHBondContact O-N 3.04Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 3.45Å; I83-Q86 PolarHBondContact O-N 3.2Å; I83-I87 HydrophobicContact CG2-CD1 3.47Å; I83-I87 VanDerWaalsContact CG2-CD1 3.47Å; I83-I87 HydrophobicContact CG2-CG1 4.22Å; I83-I87 VanDerWaalsContact O-CB 3.31Å; I83-I87 WeakPolarHBondContact O-CB 3.34Å; I83-I87 VanDerWaalsContact O-CG1 3.24Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.31Å
84L70Confident61.4Low24 Ų2462 Ų6213%0.12632%0.319CS..Hα-helixtrans-58.4-45.2174.6-111138.6000111.5L57 S80 I81 T88 V105L57-L84 HydrophobicContact CB-CG 4.25Å; L57-L84 HydrophobicContact CD2-CD1 3.71Å; L57-L84 HydrophobicContact CD2-CG 3.97Å; S80-L84 WeakPolarHBondContact O-CB 3.36Å; S80-L84 PolarHBondContact O-N 2.77Å; I81-L84 PolarHBondContact O-N 3.35Å; L84-T88 WeakPolarHBondContact O-CB 3.44Å; L84-T88 PolarHBondContact O-N 3.15Å; L84-T88 PolarHBondContact O-OG1 2.89Å; L84-V105 HydrophobicContact CB-CG1 4.18Å; L84-V105 HydrophobicContact CB-CG2 4.4Å; L84-V105 HydrophobicContact CD2-CG2 3.95Å
85L69Low61.8Low25 Ų2562.6 Ų62.613%0.13132%0.315CS..Hα-helixtrans-60.9-47.3177.8-80.8168000111.8I81 D82 I83 T88 R89 L102 V105I81-L85 HydrophobicContact CG2-CD1 3.88Å; I81-L85 HydrophobicContact CG2-CG 4.31Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.35Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 PolarHBondContact O-N 3.02Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 3.45Å; L85-T88 PolarHBondContact O-N 3.05Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 3.18Å; L85-L102 HydrophobicContact CD2-CD1 3.16Å; L85-V105 HydrophobicContact CD2-CB 4.17Å; L85-V105 HydrophobicContact CD2-CG1 3.92Å; L85-V105 HydrophobicContact CG-CG1 3.8Å
86Q72.6Confident62.6Low19 Ų1965 Ų659%0.08932%0.32CS..Hα-helixtrans-73.3-37.8-178-59.2-46.4-42.700112.3L24 L27 K28 D82 I83 T88 R89 H90L24-Q86 HydrophobicContact CD1-CB 4.36Å; L24-Q86 HydrophobicContact CD1-CG 3.69Å; L27-Q86 HydrophobicContact CB-CB 3.59Å; L27-Q86 HydrophobicContact CB-CG 4.31Å; L27-Q86 HydrophobicContact CD1-CB 4.07Å; L27-Q86 HydrophobicContact CG-CB 4.44Å; K28-Q86 HydrophobicContact CG-CG 3.91Å; D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-N 2.85Å; I83-Q86 PolarHBondContact O-N 3.2Å; Q86-T88 VanDerWaalsContact C-N 3.3Å; Q86-R89 WeakPolarHBondContact O-CB 2.99Å; Q86-R89 PolarHBondContact O-N 3.44Å; Q86-H90 VanDerWaalsContact O-CB 3.25Å; Q86-H90 WeakPolarHBondContact O-CB 3.47Å; Q86-H90 PolarHBondContact O-N 3.38Å
87I72Confident63.4Low1 Ų161.2 Ų61.21%0.00531%0.308CS..Hα-helixtrans-63.3-41.7172.3-71.7172.7000110.1L27 M54 L57 M58 I83 R89 H90 S91L27-I87 HydrophobicContact CD1-CD1 4.42Å; L27-I87 HydrophobicContact CD1-CG1 3.56Å; M54-I87 HydrophobicContact CB-CD1 4.48Å; M54-I87 HydrophobicContact CB-CG2 3.9Å; M54-I87 HydrophobicContact CE-CB 4.4Å; M54-I87 HydrophobicContact CE-CG1 4.19Å; M54-I87 HydrophobicContact CE-CG2 3.94Å; M54-I87 HydrophobicContact CG-CD1 3.81Å; M54-I87 HydrophobicContact CG-CG1 3.97Å; M54-I87 HydrophobicContact CG-CG2 3.91Å; L57-I87 HydrophobicContact CD1-CD1 3.36Å; M58-I87 HydrophobicContact CG-CG2 4.29Å; I83-I87 HydrophobicContact CG2-CD1 3.47Å; I83-I87 VanDerWaalsContact CG2-CD1 3.47Å; I83-I87 HydrophobicContact CG2-CG1 4.22Å; I83-I87 VanDerWaalsContact O-CB 3.31Å; I83-I87 WeakPolarHBondContact O-CB 3.34Å; I83-I87 VanDerWaalsContact O-CG1 3.24Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.31Å; I87-R89 VanDerWaalsContact C-N 3.35Å; I87-R89 PolarHBondContact O-N 2.72Å; I87-H90 WeakPolarHBondContact O-CB 3.47Å; I87-H90 PolarHBondContact O-N 3.28Å; I87-S91 WeakPolarHBondContact O-CB 3.37Å; I87-S91 PolarHBondContact O-N 2.87Å; I87-S91 PolarHBondContact O-OG 3.23Å; I87-S91 VanDerWaalsContact O-OG 3.09Å
88T68.3Low64Low7 Ų761.2 Ų61.24%0.04330%0.3CS..Hα-helixtrans-61.2-46.7176.8-630000110.5L84 L85 Q86 H90 S91 C92 A101L84-T88 WeakPolarHBondContact O-CB 3.44Å; L84-T88 PolarHBondContact O-N 3.15Å; L84-T88 PolarHBondContact O-OG1 2.89Å; L85-T88 PolarHBondContact O-N 3.05Å; Q86-T88 VanDerWaalsContact C-N 3.3Å; T88-H90 VanDerWaalsContact C-N 3.29Å; T88-H90 PolarHBondContact O-N 3.46Å; T88-S91 PolarHBondContact O-N 3.43Å; T88-C92 PolarHBondContact O-N 3.4Å; T88-C92 PolarHBondContact O-SG 2.89Å; T88-A101 HydrophobicContact CG2-CB 3.08Å
89R68.4Low64.5Low89 Ų8957.8 Ų57.834%0.33629%0.291SS..Hα-helixtrans-58.1-41.1173-80.6-178.1165.3169.12.8113L85 Q86 I87 Y98L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 3.18Å; Q86-R89 WeakPolarHBondContact O-CB 2.99Å; Q86-R89 PolarHBondContact O-N 3.44Å; I87-R89 VanDerWaalsContact C-N 3.35Å; I87-R89 PolarHBondContact O-N 2.72Å; R89-Y98 HydrophobicContact CB-CD2 4.47Å; R89-Y98 HydrophobicContact CB-CE2 4.37Å; R89-Y98 HydrophobicContact CG-CD2 3.48Å; R89-Y98 VanDerWaalsContact CG-CD2 3.48Å; R89-Y98 HydrophobicContact CG-CE2 3.09Å; R89-Y98 HydrophobicContact CG-CG 4.49Å; R89-Y98 PolarHBondContact NE-OH 2.97Å; R89-Y98 PolarHBondContact NH2-OH 3.48Å
90H70.2Confident64.9Low46 Ų4661.9 Ų61.921%0.21330%0.304CS..Hα-helixtrans-64.2-44.5-179.7-173.6-64.6000111.5L27 R31 F33 M54 Q86 I87 T88L27-H90 HydrophobicContact CD2-CB 4.18Å; L27-H90 VanDerWaalsContact CD2-CD2 3.49Å; L27-H90 WeakPolarHBondContact CD2-CD2 3.39Å; R31-H90 PolarHBondContact O-CD2 3.41Å; R31-H90 PolarHBondContact O-NE2 2.93Å; F33-H90 PolarHBondContact O-CE1 3.37Å; F33-H90 VanDerWaalsContact O-CE1 3.31Å; F33-H90 PolarHBondContact O-NE2 3.39Å; M54-H90 HydrophobicContact CE-CB 4.09Å; Q86-H90 VanDerWaalsContact O-CB 3.25Å; Q86-H90 WeakPolarHBondContact O-CB 3.47Å; Q86-H90 PolarHBondContact O-N 3.38Å; I87-H90 WeakPolarHBondContact O-CB 3.47Å; I87-H90 PolarHBondContact O-N 3.28Å; T88-H90 VanDerWaalsContact C-N 3.29Å; T88-H90 PolarHBondContact O-N 3.46Å
91S66.2Low64.9Low35 Ų3560.6 Ų60.625%0.24530%0.296CS..Hα-helixtrans-85-4.5-178.1-54.60000114.2M58 I87 T88 T93M58-S91 WeakPolarHBondContact SD-CB 3.34Å; M58-S91 PolarHBondContact SD-OG 3.11Å; M58-S91 VanDerWaalsContact SD-OG 3.32Å; I87-S91 WeakPolarHBondContact O-CB 3.37Å; I87-S91 PolarHBondContact O-N 2.87Å; I87-S91 PolarHBondContact O-OG 3.23Å; I87-S91 VanDerWaalsContact O-OG 3.09Å; T88-S91 PolarHBondContact O-N 3.43Å; S91-T93 PolarHBondContact O-N 3.4Å; S91-T93 VanDerWaalsContact O-N 3.14Å
92C64.1Low64.8Low38 Ų3860.6 Ų60.626%0.25730%0.296SS..  trans-62.2116.2178.8-82.20000110.2T88 Y98T88-C92 PolarHBondContact O-N 3.4Å; T88-C92 PolarHBondContact O-SG 2.89Å; C92-Y98 WeakPolarHBondContact SG-CA 3.43Å
93T63Low64.9Low84 Ų8463.2 Ų63.252%0.51531%0.31SS..  trans-105.5176.517361.80000109.5S91 Y95 Y96S91-T93 PolarHBondContact O-N 3.4Å; S91-T93 VanDerWaalsContact O-N 3.14Å; T93-Y95 PolarHBondContact O-N 2.82Å; T93-Y95 PolarHBondContact OG1-N 3.12Å; T93-Y96 CarbonylContact O-C 3.56Å; T93-Y96 PolarHBondContact O-N 3.01Å; T93-Y96 VanDerWaalsContact O-N 3.14Å
94E56.2Low64.7Low184 Ų18466.1 Ų66.186%0.8632%0.323SS*.THydrogen-bonded Turntrans-55.5-24.2173.1-62.3-177.2168.600113.2
95Y51.9Low64.3Low213 Ų21365.1 Ų65.184%0.83532%0.318SS*.THydrogen-bonded Turntrans-93.7-16.2-178-60.3-80.8000114.2T93T93-Y95 PolarHBondContact O-N 2.82Å; T93-Y95 PolarHBondContact OG1-N 3.12Å
96Y61.6Low64Low83 Ų8368 Ų6833%0.32533%0.333SS..SBendtrans-125.288.7-178.6-164.6-117.4000109.3T93 Y98 A101 E104T93-Y96 CarbonylContact O-C 3.56Å; T93-Y96 PolarHBondContact O-N 3.01Å; T93-Y96 VanDerWaalsContact O-N 3.14Å; Y96-Y98 PolarHBondContact O-N 3.13Å; Y96-A101 HydrophobicContact CD1-CB 3.92Å; Y96-A101 HydrophobicContact CE1-CB 3.23Å; Y96-E104 PolarHBondContact OH-OE2 2.89Å
97N63.8Low63.6Low80 Ų8073.7 Ų73.743%0.42836%0.36SS..  trans-61.6126.6-175.6164.95.7000111.3S99 M100 A101N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 VanDerWaalsContact CG-OG 3.29Å; N97-S99 PolarHBondContact ND2-OG 2.98Å; N97-S99 PolarHBondContact O-N 3.06Å; N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.48Å; N97-S99 PolarHBondContact OD1-OG 3.39Å; N97-S99 VanDerWaalsContact OD1-OG 3.04Å; N97-M100 HydrophobicContact CB-CB 4.41Å; N97-M100 WeakPolarHBondContact O-CB 3.5Å; N97-M100 PolarHBondContact O-N 2.93Å; N97-A101 PolarHBondContact O-N 3.3Å; N97-A101 VanDerWaalsContact O-N 3.13Å
98Y60.4Low63.1Low65 Ų6574.4 Ų74.426%0.25536%0.363SS..Hα-helixtrans-49-39.9175.8176.7-113.6000114.5R89 C92 Y96 M100 A101 L102R89-Y98 HydrophobicContact CB-CD2 4.47Å; R89-Y98 HydrophobicContact CB-CE2 4.37Å; R89-Y98 HydrophobicContact CG-CD2 3.48Å; R89-Y98 VanDerWaalsContact CG-CD2 3.48Å; R89-Y98 HydrophobicContact CG-CE2 3.09Å; R89-Y98 HydrophobicContact CG-CG 4.49Å; R89-Y98 PolarHBondContact NE-OH 2.97Å; R89-Y98 PolarHBondContact NH2-OH 3.48Å; C92-Y98 WeakPolarHBondContact SG-CA 3.43Å; Y96-Y98 PolarHBondContact O-N 3.13Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 2.87Å; Y98-A101 PolarHBondContact O-N 3.45Å; Y98-L102 HydrophobicContact CE1-CB 4.45Å; Y98-L102 HydrophobicContact CE1-CD2 3.95Å; Y98-L102 HydrophobicContact CE2-CB 4.12Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 PolarHBondContact O-N 3.01Å
99S61.6Low62.6Low65 Ų6574.8 Ų74.846%0.45537%0.366SS..Hα-helixtrans-64.9-36.7178.779.90000112.2N97 N103N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 VanDerWaalsContact CG-OG 3.29Å; N97-S99 PolarHBondContact ND2-OG 2.98Å; N97-S99 PolarHBondContact O-N 3.06Å; N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.48Å; N97-S99 PolarHBondContact OD1-OG 3.39Å; N97-S99 VanDerWaalsContact OD1-OG 3.04Å; S99-N103 WeakPolarHBondContact O-CB 3.35Å; S99-N103 PolarHBondContact O-N 3.02Å
100M65.4Low62Low111 Ų11174.1 Ų74.155%0.54738%0.375SS..Hα-helixtrans-69.7-46.7179.4-154.4177.5-66.300109.6N97 Y98 N103 E104N97-M100 HydrophobicContact CB-CB 4.41Å; N97-M100 WeakPolarHBondContact O-CB 3.5Å; N97-M100 PolarHBondContact O-N 2.93Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 2.87Å; M100-N103 PolarHBondContact O-N 2.98Å; M100-E104 PolarHBondContact O-N 3.43Å
101A61.8Low61.3Low1 Ų173.9 Ų73.91%0.00838%0.377CS..Hα-helixtrans-69.5-37.4-179.900000112.8T88 Y96 N97 Y98 E104 V105T88-A101 HydrophobicContact CG2-CB 3.08Å; Y96-A101 HydrophobicContact CD1-CB 3.92Å; Y96-A101 HydrophobicContact CE1-CB 3.23Å; N97-A101 PolarHBondContact O-N 3.3Å; N97-A101 VanDerWaalsContact O-N 3.13Å; Y98-A101 PolarHBondContact O-N 3.45Å; A101-E104 PolarHBondContact O-N 3.42Å; A101-V105 WeakPolarHBondContact O-CG2 3.06Å; A101-V105 PolarHBondContact O-N 3.46Å
102L60.6Low60.4Low44 Ų4475.6 Ų75.623%0.2338%0.378CS..Hα-helixtrans-60.1-45.2170.4173.862000111.2L85 Y98 E104 V105 L106L85-L102 HydrophobicContact CD2-CD1 3.16Å; Y98-L102 HydrophobicContact CE1-CB 4.45Å; Y98-L102 HydrophobicContact CE1-CD2 3.95Å; Y98-L102 HydrophobicContact CE2-CB 4.12Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 PolarHBondContact O-N 3.01Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.28Å; L102-V105 PolarHBondContact O-N 3.25Å; L102-L106 HydrophobicContact CD1-CD1 3.92Å; L102-L106 HydrophobicContact CD1-CG 3.95Å; L102-L106 HydrophobicContact CD2-CD1 4.49Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.94Å
103N65.4Low59.5Low104 Ų10480.8 Ų80.856%0.55640%0.399SS*.Hα-helixtrans-62.2-40.7178.7-120.5-22.1000111.5S99 M100 L106 Q107S99-N103 WeakPolarHBondContact O-CB 3.35Å; S99-N103 PolarHBondContact O-N 3.02Å; M100-N103 PolarHBondContact O-N 2.98Å; N103-L106 PolarHBondContact O-N 3.45Å; N103-Q107 WeakPolarHBondContact O-CB 3.22Å; N103-Q107 WeakPolarHBondContact O-CG 3.36Å; N103-Q107 PolarHBondContact O-N 2.99Å
104E65Low58.7Low70 Ų7081 Ų8133%0.32740%0.404SS..Hα-helixtrans-61.2-45174.1-72.5-175.4-161.500111.4Y96 M100 A101 L102 Q107 R108Y96-E104 PolarHBondContact OH-OE2 2.89Å; M100-E104 PolarHBondContact O-N 3.43Å; A101-E104 PolarHBondContact O-N 3.42Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.28Å; E104-Q107 PolarHBondContact O-N 3.32Å; E104-R108 WeakPolarHBondContact O-CB 3.36Å; E104-R108 WeakPolarHBondContact O-CD 3.44Å; E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 2.75Å; E104-R108 IonicContact OE2-CZ 3.78Å; E104-R108 IonicContact OE2-NH2 3.25Å; E104-R108 PolarHBondContact OE2-NH2 3.15Å
105V63.2Low58.1Low3 Ų376.3 Ų76.32%0.01839%0.387CS..Hα-helixtrans-64.7-42.8178178.50000112.1I81 L84 L85 A101 L102 R108 A109I81-V105 HydrophobicContact CG2-CG1 4.06Å; L84-V105 HydrophobicContact CB-CG1 4.18Å; L84-V105 HydrophobicContact CB-CG2 4.4Å; L84-V105 HydrophobicContact CD2-CG2 3.95Å; L85-V105 HydrophobicContact CD2-CB 4.17Å; L85-V105 HydrophobicContact CD2-CG1 3.92Å; L85-V105 HydrophobicContact CG-CG1 3.8Å; A101-V105 WeakPolarHBondContact O-CG2 3.06Å; A101-V105 PolarHBondContact O-N 3.46Å; L102-V105 PolarHBondContact O-N 3.25Å; V105-R108 WeakPolarHBondContact O-CB 2.94Å; V105-R108 PolarHBondContact O-N 2.59Å; V105-A109 PolarHBondContact O-N 2.94Å
106L63.1Low57.6Low87 Ų8771.5 Ų71.546%0.45538%0.38SS..Hα-helixtrans-65.7-40.8177.3-70.8174.4000112.1L102 N103 R108 A109 S110L102-L106 HydrophobicContact CD1-CD1 3.92Å; L102-L106 HydrophobicContact CD1-CG 3.95Å; L102-L106 HydrophobicContact CD2-CD1 4.49Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.94Å; N103-L106 PolarHBondContact O-N 3.45Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.27Å; L106-A109 PolarHBondContact O-N 2.79Å; L106-S110 PolarHBondContact O-N 3.35Å; L106-S110 PolarHBondContact O-OG 3.05Å
107Q64.1Low56.7Low137 Ų13774.8 Ų74.864%0.6442%0.415SS*.Hα-helixtrans-60.6-43.3172.7-82.6-153.8-24.800111.4N103 E104 A109 S110 T111N103-Q107 WeakPolarHBondContact O-CB 3.22Å; N103-Q107 WeakPolarHBondContact O-CG 3.36Å; N103-Q107 PolarHBondContact O-N 2.99Å; E104-Q107 PolarHBondContact O-N 3.32Å; Q107-A109 VanDerWaalsContact C-N 3.34Å; Q107-A109 PolarHBondContact O-N 3.3Å; Q107-S110 PolarHBondContact O-N 3.02Å; Q107-S110 PolarHBondContact O-OG 3.22Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 VanDerWaalsContact O-N 3.15Å; Q107-T111 PolarHBondContact O-OG1 3.12Å
108R60.8Low56.3Low17 Ų1774.6 Ų74.66%0.06442%0.415CS..Hα-helixtrans-60.3-40.7176.2-67.4165.1-160.2-177.1-0.9112V60 L65 E104 V105 L106 T111 W112V60-R108 VanDerWaalsContact O-CZ 3.26Å; V60-R108 PolarHBondContact O-NH1 3.3Å; L65-R108 HydrophobicContact CD1-CB 3.78Å; L65-R108 HydrophobicContact CD1-CG 3.73Å; E104-R108 WeakPolarHBondContact O-CB 3.36Å; E104-R108 WeakPolarHBondContact O-CD 3.44Å; E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 2.75Å; E104-R108 IonicContact OE2-CZ 3.78Å; E104-R108 IonicContact OE2-NH2 3.25Å; E104-R108 PolarHBondContact OE2-NH2 3.15Å; V105-R108 WeakPolarHBondContact O-CB 2.94Å; V105-R108 PolarHBondContact O-N 2.59Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.27Å; R108-T111 PolarHBondContact O-OG1 3.13Å; R108-W112 PolarHBondContact O-N 3Å
109A58Low56.1Low15 Ų1575.1 Ų75.112%0.12442%0.423CS..Hα-helixtrans-64.5-46.9176.300000112.5I81 V105 L106 Q107 T111 W112 E113I81-A109 HydrophobicContact CD1-CB 3.4Å; I81-A109 VanDerWaalsContact CD1-CB 3.4Å; I81-A109 HydrophobicContact CG1-CB 4.05Å; I81-A109 HydrophobicContact CG2-CB 4.39Å; V105-A109 PolarHBondContact O-N 2.94Å; L106-A109 PolarHBondContact O-N 2.79Å; Q107-A109 VanDerWaalsContact C-N 3.34Å; Q107-A109 PolarHBondContact O-N 3.3Å; A109-T111 VanDerWaalsContact C-N 3.27Å; A109-T111 PolarHBondContact O-N 3.43Å; A109-W112 WeakPolarHBondContact O-CB 3.43Å; A109-W112 PolarHBondContact O-N 3.43Å; A109-E113 PolarHBondContact O-N 3.27Å
110S55.7Low55.8Low74 Ų7475.6 Ų75.652%0.51742%0.421SS..Hα-helixtrans-64.3-30.8-178.966.60000113.4L106 Q107L106-S110 PolarHBondContact O-N 3.35Å; L106-S110 PolarHBondContact O-OG 3.05Å; Q107-S110 PolarHBondContact O-N 3.02Å; Q107-S110 PolarHBondContact O-OG 3.22Å
111T54.8Low55.2Low42 Ų4273.5 Ų73.526%0.25841%0.414SS..Hα-helixtrans-74.5-29.1174.512.70000112.1Q66 Q107 R108 A109 S114 V115Q66-T111 HydrophobicContact CG-CG2 4.15Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 VanDerWaalsContact O-N 3.15Å; Q107-T111 PolarHBondContact O-OG1 3.12Å; R108-T111 PolarHBondContact O-OG1 3.13Å; A109-T111 VanDerWaalsContact C-N 3.27Å; A109-T111 PolarHBondContact O-N 3.43Å; T111-S114 PolarHBondContact O-N 3.38Å; T111-V115 WeakPolarHBondContact O-CG2 3.4Å; T111-V115 PolarHBondContact O-N 3.36Å
112W47.7Very low54.8Low71 Ų7178.1 Ų78.127%0.26944%0.439SS..Hα-helixtrans-71.2-43.9179.1-155.7-60.8000112.6L65 V72 R108 A109 S114 V115 V116L65-W112 HydrophobicContact CD1-CZ3 4.5Å; L65-W112 HydrophobicContact CD2-CE3 4.17Å; L65-W112 HydrophobicContact CD2-CH2 4.41Å; L65-W112 HydrophobicContact CD2-CZ3 3.54Å; V72-W112 HydrophobicContact CB-CH2 3.81Å; V72-W112 HydrophobicContact CB-CZ2 3.39Å; V72-W112 HydrophobicContact CG1-CH2 3.58Å; V72-W112 HydrophobicContact CG1-CZ2 3.47Å; V72-W112 VanDerWaalsContact CG1-CZ2 3.47Å; V72-W112 HydrophobicContact CG2-CH2 3.45Å; V72-W112 VanDerWaalsContact CG2-CH2 3.45Å; V72-W112 HydrophobicContact CG2-CZ2 3.39Å; V72-W112 HydrophobicContact CG2-CZ3 4.38Å; R108-W112 PolarHBondContact O-N 3Å; A109-W112 WeakPolarHBondContact O-CB 3.43Å; A109-W112 PolarHBondContact O-N 3.43Å; W112-S114 PolarHBondContact O-N 3.45Å; W112-V115 PolarHBondContact O-N 3.39Å; W112-V116 PolarHBondContact O-N 2.75Å
113E44.7Very low54.4Low147 Ų14780.3 Ų80.369%0.68745%0.453SS*.Hα-helixtrans-58.1-32.9175-73.5-176.6164.700111.7A109 V115 S117A109-E113 PolarHBondContact O-N 3.27Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-V115 PolarHBondContact O-N 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.21Å; E113-S117 PolarHBondContact O-N 3.48Å; E113-S117 PolarHBondContact O-OG 3.14Å
114S47.9Very low53.6Low88 Ų8878.6 Ų78.662%0.61545%0.446SS*.Hα-helixtrans-73-18.7176.7-177.70000114.7T111 W112T111-S114 PolarHBondContact O-N 3.38Å; W112-S114 PolarHBondContact O-N 3.45Å
115V42.5Very low52.7Low85 Ų8579.3 Ų79.352%0.51546%0.455SS..Hα-helixtrans-94.8-24.4-179.1175.70000111.4T111 W112 E113T111-V115 WeakPolarHBondContact O-CG2 3.4Å; T111-V115 PolarHBondContact O-N 3.36Å; W112-V115 PolarHBondContact O-N 3.39Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-V115 PolarHBondContact O-N 3.29Å
116V41.1Very low51.9Low112 Ų11285.7 Ų85.768%0.67949%0.491SS*.Hα-helixtrans-96.8-10.5-178.4-169.80000112.4W112W112-V116 PolarHBondContact O-N 2.75Å
117S42.3Very low50.9Low153 Ų15385.5 Ų85.5100%1.0749%0.494SS*.  trans-92.80174.6-55.50000112.2E113E113-S117 WeakPolarHBondContact O-CB 3.21Å; E113-S117 PolarHBondContact O-N 3.48Å; E113-S117 PolarHBondContact O-OG 3.14Å

Retrieved 117 of 117 residues in 37.2 ms (Link to these results)

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