A0A077Z2E3_TRITR Loading...

DC STAMP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2E3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 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
1M43.9Very low53.2Low203 Ų203130.2 Ų130.2100%166%0.656SS**  0-31.40-89.4173.5174.800112.6
2A37.4Very low55.1Low77 Ų77123.9 Ų123.964%0.63663%0.629SS**Hα-helixtrans-64.4-38.9173.300000114.2K5 M6A2-K5 PolarHBondContact O-N 3.12Å; A2-M6 PolarHBondContact O-N 2.96Å
3F40Very low56.7Low163 Ų163122.4 Ų122.472%0.71562%0.616SS**Hα-helixtrans-68.2-37.6-178.2-132.1-95.6000114K5 M6F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.3Å; F3-M6 HydrophobicContact CD2-CE 4.47Å; F3-M6 PolarHBondContact O-N 3.22Å
4N50.2Low58.5Low74 Ų74120.3 Ų120.340%0.39661%0.606SS.*Hα-helixtrans-74.4-21.3177.4-80.927.9000113.4
5K46.8Very low60.2Low193 Ų193114.4 Ų114.484%0.83959%0.587SS**Hα-helixtrans-80.5-23.9177.7-127.8-178.9-178.8-172.50112.1A2 F3A2-K5 PolarHBondContact O-N 3.12Å; F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.3Å
6M47.5Very low61.6Low120 Ų120109.6 Ų109.659%0.59157%0.565SS**Hα-helixtrans-81.4-21.1174.9-76.7-170.4-72.300114A2 F3 N8A2-M6 PolarHBondContact O-N 2.96Å; F3-M6 HydrophobicContact CD2-CE 4.47Å; F3-M6 PolarHBondContact O-N 3.22Å; M6-N8 PolarHBondContact O-N 3.47Å
7Q53.3Low63Low94 Ų94105.2 Ų105.244%0.43955%0.546SS..THydrogen-bonded Turntrans-77.8-1-175.1-130.7174.40.700114.5V12 K13Q7-V12 HydrophobicContact CG-CG1 4.26Å; Q7-K13 WeakPolarHBondContact O-CE 3.39Å
8N55.3Low64.4Low120 Ų120104.7 Ų104.764%0.64254%0.543SS*.THydrogen-bonded Turntrans-98.2-0.6-171-143.220.9000115M6 K13M6-N8 PolarHBondContact O-N 3.47Å; N8-K13 PolarHBondContact OD1-NZ 2.91Å; N8-K13 VanDerWaalsContact OD1-NZ 3.11Å
9T62.2Low65.8Low83 Ų83105.3 Ų105.351%0.50955%0.547SS..SBendtrans-79.9133.5168.944.90000109.9S11 V12 K13T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.12Å; T9-V12 PolarHBondContact O-N 3.45Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.38Å; T9-K13 PolarHBondContact O-N 3.04Å
10R72.1Confident67Low212 Ų212103.9 Ų103.980%0.853%0.534SS*.Hα-helixtrans-51-38.4-178.3-166.6177.5-177.5179.60.3111.8V12 K13 I14R10-V12 PolarHBondContact O-N 3.28Å; R10-K13 PolarHBondContact O-N 3.45Å; R10-I14 HydrophobicContact CG-CD1 4.12Å; R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.11Å
11S76Confident68.2Low93 Ų93100.2 Ų100.265%0.6552%0.52SS*.Hα-helixtrans-61.1-39.6177.1-43.50000113.5T9 I14 G15T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.12Å; S11-I14 PolarHBondContact O-N 3.46Å; S11-G15 PolarHBondContact O-N 3.05Å
12V76.6Confident70.5Confident55 Ų5595.9 Ų95.933%0.33350%0.499SS..Hα-helixtrans-71.4-35.5178.3175.40000111.1Q7 T9 R10 T16Q7-V12 HydrophobicContact CG-CG1 4.26Å; T9-V12 PolarHBondContact O-N 3.45Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.38Å; R10-V12 PolarHBondContact O-N 3.28Å; V12-T16 HydrophobicContact CG1-CG2 4.31Å; V12-T16 WeakPolarHBondContact O-CB 3.19Å; V12-T16 VanDerWaalsContact O-CG2 3.29Å; V12-T16 WeakPolarHBondContact O-CG2 3.34Å; V12-T16 PolarHBondContact O-N 3.42Å; V12-T16 PolarHBondContact O-OG1 2.79Å
13K75.9Confident73.1Confident104 Ų10495.3 Ų95.345%0.45248%0.483SS..Hα-helixtrans-66.5-38.7174.9-68.6-176.6-176.8170.20111.9Q7 N8 T9 R10 T16 S17Q7-K13 WeakPolarHBondContact O-CE 3.39Å; N8-K13 PolarHBondContact OD1-NZ 2.91Å; N8-K13 VanDerWaalsContact OD1-NZ 3.11Å; T9-K13 PolarHBondContact O-N 3.04Å; R10-K13 PolarHBondContact O-N 3.45Å; K13-T16 WeakPolarHBondContact CA-OG1 3.46Å; K13-T16 PolarHBondContact O-OG1 3.22Å; K13-T16 VanDerWaalsContact O-OG1 3.08Å; K13-S17 WeakPolarHBondContact O-CB 3.42Å; K13-S17 PolarHBondContact O-N 2.73Å; K13-S17 PolarHBondContact O-OG 2.88Å
14I81.2Confident75.5Confident93 Ų9387.6 Ų87.648%0.47745%0.449SS..Hα-helixtrans-67.3-51.8176-66.5165.5000109.7R10 S11 T16 S17 I18R10-I14 HydrophobicContact CG-CD1 4.12Å; R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.11Å; S11-I14 PolarHBondContact O-N 3.46Å; I14-T16 PolarHBondContact O-N 3.34Å; I14-S17 PolarHBondContact O-N 3.25Å; I14-S17 VanDerWaalsContact O-N 3.07Å; I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.07Å
15G84.7Confident77.6Confident32 Ų3288.4 Ų88.433%0.3345%0.449SS..Hα-helixtrans-59.2-41.8179.300000113.5S11 S17 I18 L19S11-G15 PolarHBondContact O-N 3.05Å; G15-S17 PolarHBondContact O-N 3.41Å; G15-I18 PolarHBondContact O-N 3.36Å; G15-L19 WeakPolarHBondContact O-CG 2.99Å; G15-L19 PolarHBondContact O-N 3.08Å
16T83Confident79.7Confident37 Ų3780.7 Ų80.723%0.22742%0.424CS..Hα-helixtrans-66.1-37.6174.851.40000112.1V12 K13 I14 L19 Y20V12-T16 HydrophobicContact CG1-CG2 4.31Å; V12-T16 WeakPolarHBondContact O-CB 3.19Å; V12-T16 VanDerWaalsContact O-CG2 3.29Å; V12-T16 WeakPolarHBondContact O-CG2 3.34Å; V12-T16 PolarHBondContact O-N 3.42Å; V12-T16 PolarHBondContact O-OG1 2.79Å; K13-T16 WeakPolarHBondContact CA-OG1 3.46Å; K13-T16 PolarHBondContact O-OG1 3.22Å; K13-T16 VanDerWaalsContact O-OG1 3.08Å; I14-T16 PolarHBondContact O-N 3.34Å; T16-L19 PolarHBondContact O-N 3.38Å; T16-Y20 WeakPolarHBondContact O-CD2 3.37Å; T16-Y20 PolarHBondContact O-N 3.32Å
17S84.7Confident81.7Confident36 Ų3675.7 Ų75.725%0.25240%0.4SS..Hα-helixtrans-69.3-35177.7-570000112.5K13 I14 G15 Y20 A21 R69K13-S17 WeakPolarHBondContact O-CB 3.42Å; K13-S17 PolarHBondContact O-N 2.73Å; K13-S17 PolarHBondContact O-OG 2.88Å; I14-S17 PolarHBondContact O-N 3.25Å; I14-S17 VanDerWaalsContact O-N 3.07Å; G15-S17 PolarHBondContact O-N 3.41Å; S17-Y20 PolarHBondContact O-N 2.92Å; S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.41Å; S17-R69 PolarHBondContact OG-NH2 3.4Å
18I89.2Confident83.4Confident95 Ų9571.2 Ų71.249%0.48738%0.379SS..Hα-helixtrans-63.9-45.4171.8-66166.6000110.6I14 G15 Y20 A21 I22I14-I18 HydrophobicContact CG2-CD1 3.84Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.07Å; G15-I18 PolarHBondContact O-N 3.36Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 3.06Å; I18-A21 WeakPolarHBondContact O-CB 3.36Å; I18-A21 PolarHBondContact O-N 3.37Å; I18-A21 VanDerWaalsContact O-N 3.09Å; I18-I22 HydrophobicContact CG2-CD1 4.09Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.5Å
19L90.4Very high85.1Confident117 Ų11770.9 Ų70.961%0.61337%0.37SS*.Hα-helixtrans-59.3-42.1176-71.7171.5000112G15 T16 A21 I22 F23G15-L19 WeakPolarHBondContact O-CG 2.99Å; G15-L19 PolarHBondContact O-N 3.08Å; T16-L19 PolarHBondContact O-N 3.38Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.38Å
20Y89.7Confident86.2Confident76 Ų7671.3 Ų71.330%0.29837%0.369SS..Hα-helixtrans-71-27.9175.3-71.8-61.4000113.4T16 S17 I18 G24 C62 R69T16-Y20 WeakPolarHBondContact O-CD2 3.37Å; T16-Y20 PolarHBondContact O-N 3.32Å; S17-Y20 PolarHBondContact O-N 2.92Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 3.06Å; Y20-G24 PolarHBondContact O-N 3.02Å; Y20-C62 WeakPolarHBondContact CB-O 3.47Å; Y20-C62 VanDerWaalsContact O-CB 3.28Å; Y20-C62 WeakPolarHBondContact O-CB 3.33Å; Y20-R69 HydrophobicContact CD1-CG 4.33Å; Y20-R69 HydrophobicContact CG-CG 4.25Å
21A91.7Very high86.7Confident28 Ų2862.3 Ų62.323%0.23134%0.335CS..Hα-helixtrans-66.5-45.9172.500000111S17 I18 L19 F23 G24 F25 A63S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.41Å; I18-A21 WeakPolarHBondContact O-CB 3.36Å; I18-A21 PolarHBondContact O-N 3.37Å; I18-A21 VanDerWaalsContact O-N 3.09Å; L19-A21 VanDerWaalsContact C-N 3.34Å; A21-F23 VanDerWaalsContact C-N 3.34Å; A21-G24 PolarHBondContact O-N 2.84Å; A21-F25 WeakPolarHBondContact O-CB 3.3Å; A21-F25 PolarHBondContact O-N 2.71Å; A21-A63 HydrophobicContact CB-CB 3.88Å
22I92.8Very high87.1Confident111 Ų11159.1 Ų59.157%0.56931%0.309SS*.Hα-helixtrans-61.9-44.2175.1-64.3166.7000110.3I18 L19 F25 G26I18-I22 HydrophobicContact CG2-CD1 4.09Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.5Å; L19-I22 PolarHBondContact O-N 3.4Å; I22-F25 WeakPolarHBondContact O-CB 3.4Å; I22-F25 PolarHBondContact O-N 3.07Å; I22-G26 PolarHBondContact O-N 2.96Å
23F91.4Very high87.4Confident66 Ų6661.8 Ų61.829%0.28932%0.316SS..Hα-helixtrans-60.5-47174.6175.1-99.8000111.9L19 A21 F25 G26 V27 V72 L73 L76L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.38Å; A21-F23 VanDerWaalsContact C-N 3.34Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 2.98Å; F23-G26 PolarHBondContact O-N 3.25Å; F23-V27 HydrophobicContact CD1-CG2 4.3Å; F23-V27 HydrophobicContact CD2-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 3.77Å; F23-V27 HydrophobicContact CE2-CG2 3.86Å; F23-V27 HydrophobicContact CZ-CG2 3.51Å; F23-V27 WeakPolarHBondContact O-CG2 3.35Å; F23-V27 PolarHBondContact O-N 3.43Å; F23-V72 HydrophobicContact CE1-CG1 4.25Å; F23-L73 HydrophobicContact CE1-CD2 3.6Å; F23-L73 HydrophobicContact CE1-CG 4Å; F23-L73 HydrophobicContact CE2-CD2 4.14Å; F23-L73 HydrophobicContact CZ-CD2 3.36Å; F23-L73 HydrophobicContact CZ-CG 4.21Å; F23-L76 HydrophobicContact CE2-CD2 4.29Å; F23-L76 HydrophobicContact CZ-CD2 4.06Å
24G91.6Very high87.2Confident0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-61.2-39.817700000112.5Y20 A21 V27 G28 F58Y20-G24 PolarHBondContact O-N 3.02Å; A21-G24 PolarHBondContact O-N 2.84Å; G24-V27 PolarHBondContact O-N 3.16Å; G24-G28 PolarHBondContact O-N 3.06Å; G24-F58 VanDerWaalsContact O-CB 3.3Å; G24-F58 WeakPolarHBondContact O-CB 3.18Å
25F93.3Very high86.9Confident92 Ų9256.3 Ų56.340%0.40430%0.296SS..Hα-helixtrans-59-48.9173-175.9-84.3000111.4A21 I22 F23 V27 G28 Y29 W52 I55 A59A21-F25 WeakPolarHBondContact O-CB 3.3Å; A21-F25 PolarHBondContact O-N 2.71Å; I22-F25 WeakPolarHBondContact O-CB 3.4Å; I22-F25 PolarHBondContact O-N 3.07Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 2.98Å; F25-V27 PolarHBondContact O-N 3.19Å; F25-G28 PolarHBondContact O-N 3.17Å; F25-Y29 WeakPolarHBondContact O-CB 3.39Å; F25-Y29 PolarHBondContact O-N 3.01Å; F25-W52 AromaticContact CE2-CZ3 3.88Å; F25-W52 HydrophobicContact CE2-CZ3 3.88Å; F25-W52 HydrophobicContact CZ-CH2 4.5Å; F25-W52 AromaticContact CZ-CZ3 3.92Å; F25-W52 HydrophobicContact CZ-CZ3 3.92Å; F25-I55 HydrophobicContact CD1-CG2 4.37Å; F25-I55 HydrophobicContact CD2-CG2 3.31Å; F25-I55 HydrophobicContact CE1-CG2 4.42Å; F25-I55 HydrophobicContact CE2-CG2 3.39Å; F25-I55 HydrophobicContact CG-CG2 3.84Å; F25-I55 HydrophobicContact CZ-CG2 3.96Å; F25-A59 HydrophobicContact CB-CB 4.14Å
26G91.9Very high86.5Confident30 Ų3054.9 Ų54.931%0.30928%0.28SS..Hα-helixtrans-61.2-43.6177.800000113I22 F23 Y29 L30I22-G26 PolarHBondContact O-N 2.96Å; F23-G26 PolarHBondContact O-N 3.25Å; G26-Y29 PolarHBondContact O-N 3.31Å; G26-L30 WeakPolarHBondContact O-CG 3.25Å; G26-L30 PolarHBondContact O-N 2.66Å
27V89Confident86.1Confident15 Ų1559 Ų599%0.09130%0.297CS..Hα-helixtrans-67.2-40.8176.5176.80000111.6F23 G24 F25 Y29 L30 F31 F58 V72F23-V27 HydrophobicContact CD1-CG2 4.3Å; F23-V27 HydrophobicContact CD2-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 3.77Å; F23-V27 HydrophobicContact CE2-CG2 3.86Å; F23-V27 HydrophobicContact CZ-CG2 3.51Å; F23-V27 WeakPolarHBondContact O-CG2 3.35Å; F23-V27 PolarHBondContact O-N 3.43Å; G24-V27 PolarHBondContact O-N 3.16Å; F25-V27 PolarHBondContact O-N 3.19Å; V27-Y29 VanDerWaalsContact C-N 3.33Å; V27-Y29 PolarHBondContact O-N 3.39Å; V27-L30 PolarHBondContact O-N 3.19Å; V27-F31 WeakPolarHBondContact O-CB 3.26Å; V27-F31 PolarHBondContact O-N 3.11Å; V27-F58 HydrophobicContact CG1-CD1 4.11Å; V27-F58 HydrophobicContact CG1-CE1 4.19Å; V27-V72 HydrophobicContact CB-CG1 4.3Å; V27-V72 HydrophobicContact CG1-CG1 3.77Å; V27-V72 HydrophobicContact CG2-CG1 4.38Å
28G88.7Confident85.4Confident0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-62.1-40.4175.800000112.2G24 F25 F31 W32G24-G28 PolarHBondContact O-N 3.06Å; F25-G28 PolarHBondContact O-N 3.17Å; G28-F31 PolarHBondContact O-N 3.43Å; G28-W32 PolarHBondContact O-N 2.89Å
29Y90.2Very high84.6Confident114 Ų11460.5 Ų60.545%0.44730%0.297SS..Hα-helixtrans-64.5-44.5174.5175.6-102.7000111.9F25 G26 V27 F31 W32 K33 I55F25-Y29 WeakPolarHBondContact O-CB 3.39Å; F25-Y29 PolarHBondContact O-N 3.01Å; G26-Y29 PolarHBondContact O-N 3.31Å; V27-Y29 VanDerWaalsContact C-N 3.33Å; V27-Y29 PolarHBondContact O-N 3.39Å; Y29-F31 VanDerWaalsContact C-N 3.33Å; Y29-F31 PolarHBondContact O-N 3.12Å; Y29-W32 PolarHBondContact O-N 3.23Å; Y29-K33 HydrophobicContact CE1-CD 4.44Å; Y29-K33 WeakPolarHBondContact O-CB 3.42Å; Y29-K33 PolarHBondContact O-N 2.94Å; Y29-I55 HydrophobicContact CD2-CD1 4.14Å
30L85.3Confident83.8Confident92 Ų9260.8 Ų60.848%0.48230%0.299SS..Hα-helixtrans-61.3-42.4174.7-73.8174.3000111.7G26 V27 K33 V34G26-L30 WeakPolarHBondContact O-CG 3.25Å; G26-L30 PolarHBondContact O-N 2.66Å; V27-L30 PolarHBondContact O-N 3.19Å; L30-K33 PolarHBondContact O-N 2.88Å; L30-V34 WeakPolarHBondContact O-CB 3.23Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.09Å
31F83.7Confident83.1Confident22 Ų2261.5 Ų61.510%0.09630%0.304CS..Hα-helixtrans-62.4-44176.5175.8-111.6000112.1V27 G28 Y29 S35 I54 F58 F377 V380V27-F31 WeakPolarHBondContact O-CB 3.26Å; V27-F31 PolarHBondContact O-N 3.11Å; G28-F31 PolarHBondContact O-N 3.43Å; Y29-F31 VanDerWaalsContact C-N 3.33Å; Y29-F31 PolarHBondContact O-N 3.12Å; F31-S35 WeakPolarHBondContact O-CB 3.36Å; F31-S35 PolarHBondContact O-N 3.45Å; F31-I54 HydrophobicContact CD1-CG2 3.62Å; F31-I54 HydrophobicContact CE1-CG2 3.99Å; F31-F58 HydrophobicContact CB-CZ 4.43Å; F31-F58 AromaticContact CD1-CE2 3.71Å; F31-F58 HydrophobicContact CD1-CE2 3.71Å; F31-F58 HydrophobicContact CD1-CZ 4.05Å; F31-F58 HydrophobicContact CE1-CE2 4.19Å; F31-F58 HydrophobicContact CG-CE2 4.24Å; F31-F58 HydrophobicContact CG-CZ 4.17Å; F31-F377 HydrophobicContact CE1-CE2 4.1Å; F31-F377 HydrophobicContact CE2-CD2 4.22Å; F31-F377 HydrophobicContact CE2-CE2 4.44Å; F31-F377 AromaticContact CZ-CD2 3.71Å; F31-F377 HydrophobicContact CZ-CD2 3.71Å; F31-F377 AromaticContact CZ-CE2 3.51Å; F31-F377 HydrophobicContact CZ-CE2 3.51Å; F31-V380 HydrophobicContact CD2-CB 4.27Å; F31-V380 HydrophobicContact CD2-CG1 3.58Å; F31-V380 HydrophobicContact CE2-CB 3.76Å; F31-V380 HydrophobicContact CE2-CG1 3.33Å; F31-V380 HydrophobicContact CE2-CG2 4.41Å; F31-V380 HydrophobicContact CZ-CG1 4.45Å
32W85.1Confident82.4Confident27 Ų2763.3 Ų63.310%0.10233%0.325CS..Iπ-helixtrans-58.5-51.1174.6176.5-100000111.3G28 Y29 V34 C36 Q37 F41 I50 T51 I54G28-W32 PolarHBondContact O-N 2.89Å; Y29-W32 PolarHBondContact O-N 3.23Å; W32-V34 PolarHBondContact O-N 2.79Å; W32-C36 HydrophobicContact CD2-CB 3.79Å; W32-C36 HydrophobicContact CE3-CB 3.19Å; W32-C36 HydrophobicContact CG-CB 4.47Å; W32-C36 HydrophobicContact CH2-CB 4.18Å; W32-C36 HydrophobicContact CZ3-CB 3.42Å; W32-C36 VanDerWaalsContact CZ3-CB 3.42Å; W32-C36 CarbonylContact O-C 3.16Å; W32-C36 WeakPolarHBondContact O-CA 3.28Å; W32-C36 PolarHBondContact O-N 2.83Å; W32-Q37 PolarHBondContact O-N 3.26Å; W32-F41 HydrophobicContact CH2-CD2 4.24Å; W32-F41 AromaticContact CH2-CE2 3.9Å; W32-F41 HydrophobicContact CH2-CE2 3.9Å; W32-F41 HydrophobicContact CZ3-CE2 4.13Å; W32-I50 HydrophobicContact CH2-CB 4.49Å; W32-I50 HydrophobicContact CH2-CG2 4.3Å; W32-I50 HydrophobicContact CZ3-CB 4.38Å; W32-I50 HydrophobicContact CZ3-CG2 3.79Å; W32-T51 HydrophobicContact CD2-CG2 3.81Å; W32-T51 HydrophobicContact CG-CG2 3.82Å; W32-T51 WeakPolarHBondContact CH2-OG1 3.29Å; W32-T51 HydrophobicContact CZ2-CG2 4.43Å; W32-T51 WeakPolarHBondContact CZ2-OG1 3.4Å; W32-T51 PolarHBondContact NE1-OG1 3.22Å; W32-I54 HydrophobicContact CE3-CD1 3.72Å; W32-I54 HydrophobicContact CZ3-CD1 3.8Å
33K81.8Confident81.9Confident111 Ų11160.8 Ų60.848%0.48332%0.318SS..Iπ-helixtrans-63.6-40.2-176.8-169.6173.2-176.8175.40113.1Y29 L30Y29-K33 HydrophobicContact CE1-CD 4.44Å; Y29-K33 WeakPolarHBondContact O-CB 3.42Å; Y29-K33 PolarHBondContact O-N 2.94Å; L30-K33 PolarHBondContact O-N 2.88Å
34V72.8Confident81.5Confident81 Ų8161.9 Ų61.949%0.49133%0.334SS..Iπ-helixtrans-83.2-38.2-175.9173.80000112.2L30 W32L30-V34 WeakPolarHBondContact O-CB 3.23Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.09Å; W32-V34 PolarHBondContact O-N 2.79Å
35S73.8Confident81.4Confident1 Ų167.7 Ų67.71%0.00736%0.364CS..Iπ-helixtrans-113.7-31.1-167.8-58.90000114.2F31 F39F31-S35 WeakPolarHBondContact O-CB 3.36Å; F31-S35 PolarHBondContact O-N 3.45Å; S35-F39 WeakPolarHBondContact O-CE2 2.93Å
36C75.9Confident81Confident1 Ų164.6 Ų64.61%0.00736%0.356CS..Iπ-helixtrans-105.1-26-169.7-580000113.7W32 Q38 F39 F377W32-C36 HydrophobicContact CD2-CB 3.79Å; W32-C36 HydrophobicContact CE3-CB 3.19Å; W32-C36 HydrophobicContact CG-CB 4.47Å; W32-C36 HydrophobicContact CH2-CB 4.18Å; W32-C36 HydrophobicContact CZ3-CB 3.42Å; W32-C36 VanDerWaalsContact CZ3-CB 3.42Å; W32-C36 CarbonylContact O-C 3.16Å; W32-C36 WeakPolarHBondContact O-CA 3.28Å; W32-C36 PolarHBondContact O-N 2.83Å; C36-Q38 PolarHBondContact O-N 2.64Å; C36-F39 PolarHBondContact O-N 2.81Å; C36-F377 VanDerWaalsContact SG-CE2 3.58Å
37Q75.5Confident80.7Confident124 Ų12464.9 Ų64.958%0.57935%0.35SS*.THydrogen-bonded Turntrans-59.1-23.1-176.9-175.4174.7-6.400113.5W32 F39W32-Q37 PolarHBondContact O-N 3.26Å; Q37-F39 VanDerWaalsContact C-N 3.31Å
38Q69.9Low80.6Confident99 Ų9969.6 Ų69.646%0.46337%0.371SS..THydrogen-bonded Turntrans-79.9-13.2179.5-64.9167.4-12.400113.3C36 S373C36-Q38 PolarHBondContact O-N 2.64Å; Q38-S373 PolarHBondContact OE1-O 2.95Å
39F72.2Confident80.7Confident64 Ų6473.8 Ų73.828%0.28140%0.396SS..  trans-91.7118.8173.7-63.6-78.5000109.2S35 C36 Q37 F41 F377S35-F39 WeakPolarHBondContact O-CE2 2.93Å; C36-F39 PolarHBondContact O-N 2.81Å; Q37-F39 VanDerWaalsContact C-N 3.31Å; F39-F41 HydrophobicContact CB-CD2 4.39Å; F39-F41 HydrophobicContact CB-CE1 4.22Å; F39-F41 HydrophobicContact CB-CE2 3.77Å; F39-F41 HydrophobicContact CB-CZ 3.67Å; F39-F41 HydrophobicContact CG-CZ 4.35Å; F39-F377 HydrophobicContact CE2-CB 3.66Å; F39-F377 HydrophobicContact CE2-CD1 4.26Å; F39-F377 HydrophobicContact CE2-CD2 4.48Å; F39-F377 AromaticContact CE2-CG 3.92Å; F39-F377 HydrophobicContact CE2-CG 3.92Å; F39-F377 HydrophobicContact CZ-CB 4.14Å; F39-F377 HydrophobicContact CZ-CD1 4.44Å; F39-F377 HydrophobicContact CZ-CG 4.46Å
40D73.3Confident80.6Confident123 Ų12370.6 Ų70.666%0.65839%0.386SS*.  trans-86.9108.9166.4-166.7-2.5000108.7G42 N47D40-G42 PolarHBondContact O-N 3.41Å; D40-G42 PolarHBondContact OD1-N 3.28Å; D40-G42 VanDerWaalsContact OD1-N 3.12Å; D40-N47 PolarHBondContact OD1-ND2 3.5Å
41F75.1Confident80.8Confident90 Ų9067.2 Ų67.240%0.39537%0.37SS..  trans-81.220.8176.2-58.9-80.2000112.3W32 F39 S43 A46 N47 I50W32-F41 HydrophobicContact CH2-CD2 4.24Å; W32-F41 AromaticContact CH2-CE2 3.9Å; W32-F41 HydrophobicContact CH2-CE2 3.9Å; W32-F41 HydrophobicContact CZ3-CE2 4.13Å; F39-F41 HydrophobicContact CB-CD2 4.39Å; F39-F41 HydrophobicContact CB-CE1 4.22Å; F39-F41 HydrophobicContact CB-CE2 3.77Å; F39-F41 HydrophobicContact CB-CZ 3.67Å; F39-F41 HydrophobicContact CG-CZ 4.35Å; F41-S43 PolarHBondContact O-N 3.45Å; F41-A46 HydrophobicContact CB-CB 4.46Å; F41-N47 WeakPolarHBondContact CA-OD1 3.31Å; F41-N47 VanDerWaalsContact CB-OD1 3.24Å; F41-N47 WeakPolarHBondContact CB-OD1 3.38Å; F41-N47 VanDerWaalsContact CD2-OD1 3.31Å; F41-N47 WeakPolarHBondContact CD2-OD1 3.43Å; F41-N47 PolarHBondContact N-OD1 3.16Å; F41-I50 HydrophobicContact CB-CD1 3.66Å; F41-I50 HydrophobicContact CD1-CD1 3.8Å; F41-I50 HydrophobicContact CD2-CD1 3.73Å; F41-I50 HydrophobicContact CD2-CG2 4.49Å; F41-I50 HydrophobicContact CE1-CD1 4.37Å; F41-I50 HydrophobicContact CE2-CD1 4.32Å; F41-I50 HydrophobicContact CE2-CG2 4.18Å; F41-I50 HydrophobicContact CG-CD1 3.44Å; F41-I50 VanDerWaalsContact CG-CD1 3.44Å; F41-I50 HydrophobicContact CZ-CG2 4.49Å
42G77.3Confident81.2Confident66 Ų6673.1 Ų73.168%0.6839%0.392SS*.SBendtrans94-51.7164.900000114.1D40D40-G42 PolarHBondContact O-N 3.41Å; D40-G42 PolarHBondContact OD1-N 3.28Å; D40-G42 VanDerWaalsContact OD1-N 3.12Å
43S81.5Confident81.5Confident59 Ų5977.2 Ų77.241%0.41342%0.415SS..SBendtrans-111.3145176.370.40000111.9F41 L45 A46 N47F41-S43 PolarHBondContact O-N 3.45Å; S43-L45 PolarHBondContact O-N 3.17Å; S43-A46 PolarHBondContact O-N 3.1Å; S43-A46 VanDerWaalsContact O-N 3.08Å; S43-A46 WeakPolarHBondContact OG-CB 3.46Å; S43-A46 PolarHBondContact OG-N 3.41Å; S43-A46 VanDerWaalsContact OG-N 3.1Å; S43-N47 PolarHBondContact O-N 2.92Å
44S84.8Confident81.9Confident89 Ų8973.4 Ų73.462%0.62240%0.399SS*.Hα-helixtrans-56.9-37.6176.558.50000112.2Q48S44-Q48 WeakPolarHBondContact O-CG 3.45Å; S44-Q48 PolarHBondContact O-N 3.04Å
45L87.8Confident82.8Confident121 Ų12169.7 Ų69.763%0.63438%0.377SS*.Hα-helixtrans-64.8-46.1173.8-74.2171.8000112S43 N47 Q48 V49S43-L45 PolarHBondContact O-N 3.17Å; L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 3.19Å; L45-Q48 PolarHBondContact O-N 3.29Å; L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.35Å
46A86.4Confident83.7Confident28 Ų2872.1 Ų72.123%0.23139%0.394CS..Hα-helixtrans-60.3-44.7176.900000111.4F41 S43 Q48 V49 I50F41-A46 HydrophobicContact CB-CB 4.46Å; S43-A46 PolarHBondContact O-N 3.1Å; S43-A46 VanDerWaalsContact O-N 3.08Å; S43-A46 WeakPolarHBondContact OG-CB 3.46Å; S43-A46 PolarHBondContact OG-N 3.41Å; S43-A46 VanDerWaalsContact OG-N 3.1Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.34Å; A46-V49 PolarHBondContact O-N 2.96Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 2.99Å
47N84.2Confident84.5Confident35 Ų3575.2 Ų75.219%0.18742%0.416CS..Hα-helixtrans-56.6-46.7175.8-73.4-27.5000111.4D40 F41 S43 L45 T51D40-N47 PolarHBondContact OD1-ND2 3.5Å; F41-N47 WeakPolarHBondContact CA-OD1 3.31Å; F41-N47 VanDerWaalsContact CB-OD1 3.24Å; F41-N47 WeakPolarHBondContact CB-OD1 3.38Å; F41-N47 VanDerWaalsContact CD2-OD1 3.31Å; F41-N47 WeakPolarHBondContact CD2-OD1 3.43Å; F41-N47 PolarHBondContact N-OD1 3.16Å; S43-N47 PolarHBondContact O-N 2.92Å; L45-N47 VanDerWaalsContact C-N 3.34Å; L45-N47 PolarHBondContact O-N 3.19Å; N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.33Å; N47-T51 PolarHBondContact O-OG1 3.27Å
48Q87.9Confident85.2Confident115 Ų11570.7 Ų70.754%0.53739%0.394SS..Hα-helixtrans-65.5-44.9178-72.8-179.66.300112.8S44 L45 A46 T51 W52S44-Q48 WeakPolarHBondContact O-CG 3.45Å; S44-Q48 PolarHBondContact O-N 3.04Å; L45-Q48 PolarHBondContact O-N 3.29Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.34Å; Q48-T51 WeakPolarHBondContact O-CB 3.29Å; Q48-T51 PolarHBondContact O-N 2.88Å; Q48-W52 PolarHBondContact O-N 2.99Å; Q48-W52 VanDerWaalsContact O-N 3.08Å
49V90.5Very high86.3Confident87 Ų8766.7 Ų66.753%0.52738%0.378SS..Hα-helixtrans-61.5-47.5179.11710000110.5L45 A46 T51 W52 L53L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.35Å; A46-V49 PolarHBondContact O-N 2.96Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.45Å; V49-W52 PolarHBondContact O-N 2.95Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.29Å; V49-L53 WeakPolarHBondContact O-CB 3.42Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.44Å; V49-L53 PolarHBondContact O-N 3.07Å
50I88.1Confident87.3Confident47 Ų4769 Ų6924%0.24139%0.392CS..Hα-helixtrans-63.7-39.8178.6-63.1166.7000110.8W32 F41 A46 W52 L53 I54W32-I50 HydrophobicContact CH2-CB 4.49Å; W32-I50 HydrophobicContact CH2-CG2 4.3Å; W32-I50 HydrophobicContact CZ3-CB 4.38Å; W32-I50 HydrophobicContact CZ3-CG2 3.79Å; F41-I50 HydrophobicContact CB-CD1 3.66Å; F41-I50 HydrophobicContact CD1-CD1 3.8Å; F41-I50 HydrophobicContact CD2-CD1 3.73Å; F41-I50 HydrophobicContact CD2-CG2 4.49Å; F41-I50 HydrophobicContact CE1-CD1 4.37Å; F41-I50 HydrophobicContact CE2-CD1 4.32Å; F41-I50 HydrophobicContact CE2-CG2 4.18Å; F41-I50 HydrophobicContact CG-CD1 3.44Å; F41-I50 VanDerWaalsContact CG-CD1 3.44Å; F41-I50 HydrophobicContact CZ-CG2 4.49Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 2.99Å; I50-W52 PolarHBondContact O-N 2.71Å; I50-L53 PolarHBondContact O-N 3.11Å; I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.36Å; I50-I54 WeakPolarHBondContact O-CG1 3.41Å; I50-I54 PolarHBondContact O-N 3.34Å
51T88.9Confident88.1Confident22 Ų2263.9 Ų63.914%0.13537%0.368CS..Hα-helixtrans-52.9-55.6174.4-56.20000110.9W32 N47 Q48 V49 L53 I54 I55W32-T51 HydrophobicContact CD2-CG2 3.81Å; W32-T51 HydrophobicContact CG-CG2 3.82Å; W32-T51 WeakPolarHBondContact CH2-OG1 3.29Å; W32-T51 HydrophobicContact CZ2-CG2 4.43Å; W32-T51 WeakPolarHBondContact CZ2-OG1 3.4Å; W32-T51 PolarHBondContact NE1-OG1 3.22Å; N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.33Å; N47-T51 PolarHBondContact O-OG1 3.27Å; Q48-T51 WeakPolarHBondContact O-CB 3.29Å; Q48-T51 PolarHBondContact O-N 2.88Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.45Å; T51-L53 PolarHBondContact O-N 2.63Å; T51-I54 PolarHBondContact O-N 3.43Å; T51-I55 HydrophobicContact CG2-CD1 3.73Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 2.87Å
52W92.2Very high88.9Confident146 Ų14659.6 Ų59.655%0.55335%0.349SS*.Hα-helixtrans-70.2-32.7-176.3-71.8115000112.6F25 Q48 V49 I50 S56F25-W52 AromaticContact CE2-CZ3 3.88Å; F25-W52 HydrophobicContact CE2-CZ3 3.88Å; F25-W52 HydrophobicContact CZ-CH2 4.5Å; F25-W52 AromaticContact CZ-CZ3 3.92Å; F25-W52 HydrophobicContact CZ-CZ3 3.92Å; Q48-W52 PolarHBondContact O-N 2.99Å; Q48-W52 VanDerWaalsContact O-N 3.08Å; V49-W52 PolarHBondContact O-N 2.95Å; I50-W52 PolarHBondContact O-N 2.71Å; W52-S56 WeakPolarHBondContact O-CB 3.37Å; W52-S56 PolarHBondContact O-N 3.3Å; W52-S56 PolarHBondContact O-OG 3.01Å
53L92.4Very high89.5Confident112 Ų11257.9 Ų57.959%0.58633%0.329SS*.Hα-helixtrans-62.4-46.5172.7-75.6174.2000111.5V49 I50 T51 S57V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.29Å; V49-L53 WeakPolarHBondContact O-CB 3.42Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.44Å; V49-L53 PolarHBondContact O-N 3.07Å; I50-L53 PolarHBondContact O-N 3.11Å; T51-L53 PolarHBondContact O-N 2.63Å; L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.45Å; L53-S57 PolarHBondContact O-OG 2.88Å
54I89.1Confident89.8Confident31 Ų3158.4 Ų58.416%0.15934%0.336CS..Hα-helixtrans-63.3-51.8178-72172.1000110.2F31 W32 I50 T51 S56 S57 F58F31-I54 HydrophobicContact CD1-CG2 3.62Å; F31-I54 HydrophobicContact CE1-CG2 3.99Å; W32-I54 HydrophobicContact CE3-CD1 3.72Å; W32-I54 HydrophobicContact CZ3-CD1 3.8Å; I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.36Å; I50-I54 WeakPolarHBondContact O-CG1 3.41Å; I50-I54 PolarHBondContact O-N 3.34Å; T51-I54 PolarHBondContact O-N 3.43Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.16Å; I54-S57 PolarHBondContact O-N 3.27Å; I54-S57 PolarHBondContact O-OG 2.69Å; I54-F58 HydrophobicContact CG2-CD2 4.27Å; I54-F58 HydrophobicContact CG2-CE2 4.27Å; I54-F58 WeakPolarHBondContact O-CD2 3.11Å; I54-F58 PolarHBondContact O-N 3.45Å
55I92.8Very high90.1Very high4 Ų456.5 Ų56.52%0.02132%0.321CS..Hα-helixtrans-59.7-44.7-179.3-64.9171000111.1F25 Y29 T51 S57 F58 A59F25-I55 HydrophobicContact CD1-CG2 4.37Å; F25-I55 HydrophobicContact CD2-CG2 3.31Å; F25-I55 HydrophobicContact CE1-CG2 4.42Å; F25-I55 HydrophobicContact CE2-CG2 3.39Å; F25-I55 HydrophobicContact CG-CG2 3.84Å; F25-I55 HydrophobicContact CZ-CG2 3.96Å; Y29-I55 HydrophobicContact CD2-CD1 4.14Å; T51-I55 HydrophobicContact CG2-CD1 3.73Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 2.87Å; I55-S57 PolarHBondContact O-N 3.46Å; I55-F58 PolarHBondContact O-N 3.21Å; I55-A59 PolarHBondContact O-N 2.84Å
56S92.4Very high90Very high51 Ų5153.5 Ų53.536%0.35731%0.309SS..Hα-helixtrans-65.2-38.1178.8-59.30000111.9W52 I54 F58 A59 I60W52-S56 WeakPolarHBondContact O-CB 3.37Å; W52-S56 PolarHBondContact O-N 3.3Å; W52-S56 PolarHBondContact O-OG 3.01Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.16Å; S56-F58 PolarHBondContact O-N 3.25Å; S56-A59 PolarHBondContact O-N 3.37Å; S56-I60 WeakPolarHBondContact O-CB 3.03Å; S56-I60 VanDerWaalsContact O-CG1 3.25Å; S56-I60 WeakPolarHBondContact O-CG1 3.35Å; S56-I60 PolarHBondContact O-N 3.43Å
57S91.8Very high90.2Very high67 Ų6755 Ų5547%0.46932%0.315SS..Hα-helixtrans-62.2-40.7177.675.50000112.4L53 I54 I55 G61L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.45Å; L53-S57 PolarHBondContact O-OG 2.88Å; I54-S57 PolarHBondContact O-N 3.27Å; I54-S57 PolarHBondContact O-OG 2.69Å; I55-S57 PolarHBondContact O-N 3.46Å; S57-G61 WeakPolarHBondContact O-CA 3.24Å; S57-G61 PolarHBondContact O-N 3.11Å
58F91.1Very high90.5Very high29 Ų2955.9 Ų55.913%0.12732%0.322CS..Hα-helixtrans-69.4-41.9175-86-98.8000111.7G24 V27 F31 I54 I55 S56 C62 V72G24-F58 VanDerWaalsContact O-CB 3.3Å; G24-F58 WeakPolarHBondContact O-CB 3.18Å; V27-F58 HydrophobicContact CG1-CD1 4.11Å; V27-F58 HydrophobicContact CG1-CE1 4.19Å; F31-F58 HydrophobicContact CB-CZ 4.43Å; F31-F58 AromaticContact CD1-CE2 3.71Å; F31-F58 HydrophobicContact CD1-CE2 3.71Å; F31-F58 HydrophobicContact CD1-CZ 4.05Å; F31-F58 HydrophobicContact CE1-CE2 4.19Å; F31-F58 HydrophobicContact CG-CE2 4.24Å; F31-F58 HydrophobicContact CG-CZ 4.17Å; I54-F58 HydrophobicContact CG2-CD2 4.27Å; I54-F58 HydrophobicContact CG2-CE2 4.27Å; I54-F58 WeakPolarHBondContact O-CD2 3.11Å; I54-F58 PolarHBondContact O-N 3.45Å; I55-F58 PolarHBondContact O-N 3.21Å; S56-F58 PolarHBondContact O-N 3.25Å; F58-C62 VanDerWaalsContact O-CB 3.24Å; F58-C62 WeakPolarHBondContact O-CB 3.26Å; F58-C62 PolarHBondContact O-N 3.49Å; F58-C62 PolarHBondContact O-SG 3.3Å; F58-V72 HydrophobicContact CD1-CG1 4.35Å; F58-V72 HydrophobicContact CD1-CG2 4.22Å; F58-V72 HydrophobicContact CE1-CG1 4.49Å; F58-V72 HydrophobicContact CE1-CG2 4.23Å
59A92.8Very high90.6Very high15 Ų1552 Ų5212%0.12430%0.302CS..Hα-helixtrans-61.6-50.8177.300000111.7F25 I55 S56 A63F25-A59 HydrophobicContact CB-CB 4.14Å; I55-A59 PolarHBondContact O-N 2.84Å; S56-A59 PolarHBondContact O-N 3.37Å; A59-A63 VanDerWaalsContact O-CB 3.25Å; A59-A63 WeakPolarHBondContact O-CB 3.35Å; A59-A63 PolarHBondContact O-N 3.12Å
60I92.5Very high90.6Very high113 Ų11347.9 Ų47.958%0.57928%0.277SS*.Hα-helixtrans-66.7-43.3179-64.2166.7000110.5S56 A63 A64S56-I60 WeakPolarHBondContact O-CB 3.03Å; S56-I60 VanDerWaalsContact O-CG1 3.25Å; S56-I60 WeakPolarHBondContact O-CG1 3.35Å; S56-I60 PolarHBondContact O-N 3.43Å; I60-A63 CarbonylContact O-C 3.58Å; I60-A63 PolarHBondContact O-N 2.86Å; I60-A63 VanDerWaalsContact O-N 3.11Å; I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.31Å; I60-A64 PolarHBondContact O-N 3.31Å
61G91.4Very high90.7Very high15 Ų1546.3 Ų46.316%0.15527%0.27CS..Hα-helixtrans-60.6-47.7178.800000112.5S57 A63 A64 T65S57-G61 WeakPolarHBondContact O-CA 3.24Å; S57-G61 PolarHBondContact O-N 3.11Å; G61-A63 VanDerWaalsContact C-N 3.31Å; G61-A63 PolarHBondContact O-N 3.31Å; G61-A64 PolarHBondContact O-N 3.25Å; G61-T65 PolarHBondContact O-N 3.49Å; G61-T65 PolarHBondContact O-OG1 3.37Å
62C90.7Very high90.8Very high0 Ų045.5 Ų45.50%027%0.265CS..Hα-helixtrans-67.4-28.2172.9-74.60000112.4Y20 F58 R69Y20-C62 WeakPolarHBondContact CB-O 3.47Å; Y20-C62 VanDerWaalsContact O-CB 3.28Å; Y20-C62 WeakPolarHBondContact O-CB 3.33Å; F58-C62 VanDerWaalsContact O-CB 3.24Å; F58-C62 WeakPolarHBondContact O-CB 3.26Å; F58-C62 PolarHBondContact O-N 3.49Å; F58-C62 PolarHBondContact O-SG 3.3Å; C62-R69 HydrophobicContact CB-CG 4.32Å; C62-R69 VanDerWaalsContact O-CD 3.23Å; C62-R69 WeakPolarHBondContact O-CD 3.41Å; C62-R69 WeakPolarHBondContact O-CG 3.37Å; C62-R69 PolarHBondContact O-NE 3.04Å
63A89.9Confident90.6Very high30 Ų3040.4 Ų40.425%0.24825%0.248CC..Hα-helixtrans-77.2-3617500000112.8A21 A59 I60 G61 R69A21-A63 HydrophobicContact CB-CB 3.88Å; A59-A63 VanDerWaalsContact O-CB 3.25Å; A59-A63 WeakPolarHBondContact O-CB 3.35Å; A59-A63 PolarHBondContact O-N 3.12Å; I60-A63 CarbonylContact O-C 3.58Å; I60-A63 PolarHBondContact O-N 2.86Å; I60-A63 VanDerWaalsContact O-N 3.11Å; G61-A63 VanDerWaalsContact C-N 3.31Å; G61-A63 PolarHBondContact O-N 3.31Å; A63-R69 PolarHBondContact O-NH2 3.23Å
64A88.7Confident90.4Very high69 Ų6935 Ų3557%0.5722%0.22SC*.Hα-helixtrans-87.5-42.1-169.300000113.6I60 G61I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.31Å; I60-A64 PolarHBondContact O-N 3.31Å; G61-A64 PolarHBondContact O-N 3.25Å
65T90Very high90.4Very high50 Ų5034 Ų3431%0.30722%0.215SC..  trans-126.6127.7-167.161.90000113.3G61 T67 V68 R69G61-T65 PolarHBondContact O-N 3.49Å; G61-T65 PolarHBondContact O-OG1 3.37Å; T65-T67 PolarHBondContact O-N 3.18Å; T65-V68 PolarHBondContact O-N 3.03Å; T65-V68 WeakPolarHBondContact OG1-CB 3.48Å; T65-V68 WeakPolarHBondContact OG1-CG2 3.38Å; T65-V68 PolarHBondContact OG1-N 2.94Å; T65-R69 WeakPolarHBondContact O-CG 3.49Å; T65-R69 PolarHBondContact O-N 3.37Å; T65-R69 VanDerWaalsContact O-N 3.12Å
66P86.5Confident90Very high58 Ų5836.7 Ų36.738%0.37723%0.229SC..Hα-helixtrans-66.3-22.6177.427.6-34.3000112.8C70 V577 F578P66-C70 WeakPolarHBondContact O-CB 3.32Å; P66-C70 PolarHBondContact O-N 3.29Å; P66-V577 HydrophobicContact CB-CG1 4.21Å; P66-F578 HydrophobicContact CB-CZ 4.01Å; P66-F578 HydrophobicContact CG-CE1 4.47Å; P66-F578 HydrophobicContact CG-CZ 4.23Å
67T89.9Confident89.6Confident58 Ų5835.2 Ų35.236%0.35622%0.217SC..Hα-helixtrans-66.1-51.3174500000111.1T65 C70 V71 F391 F578T65-T67 PolarHBondContact O-N 3.18Å; T67-C70 PolarHBondContact O-N 3.35Å; T67-V71 WeakPolarHBondContact O-CG2 3.34Å; T67-V71 PolarHBondContact O-N 2.96Å; T67-F391 HydrophobicContact CG2-CE1 3.87Å; T67-F391 HydrophobicContact CG2-CZ 4.1Å; T67-F578 HydrophobicContact CG2-CZ 4.06Å
68V90.3Very high89.1Confident54 Ų5432.4 Ų32.433%0.32720%0.197SC..Hα-helixtrans-63.3-43.5176.8175.40000110.3T65 C70 V71 V72T65-V68 PolarHBondContact O-N 3.03Å; T65-V68 WeakPolarHBondContact OG1-CB 3.48Å; T65-V68 WeakPolarHBondContact OG1-CG2 3.38Å; T65-V68 PolarHBondContact OG1-N 2.94Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 3Å; V68-V71 PolarHBondContact O-N 3.46Å; V68-V72 HydrophobicContact CG1-CG2 3.87Å; V68-V72 WeakPolarHBondContact O-CB 3.4Å; V68-V72 VanDerWaalsContact O-CG2 3.25Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 3.23Å
69R89.8Confident88.4Confident35 Ų3533.2 Ų33.213%0.13221%0.205CC..Hα-helixtrans-51.3-49.1173.4-66.6173.6-158.9-179.3-7.1112.1S17 Y20 C62 A63 T65 L73S17-R69 PolarHBondContact OG-NH2 3.4Å; Y20-R69 HydrophobicContact CD1-CG 4.33Å; Y20-R69 HydrophobicContact CG-CG 4.25Å; C62-R69 HydrophobicContact CB-CG 4.32Å; C62-R69 VanDerWaalsContact O-CD 3.23Å; C62-R69 WeakPolarHBondContact O-CD 3.41Å; C62-R69 WeakPolarHBondContact O-CG 3.37Å; C62-R69 PolarHBondContact O-NE 3.04Å; A63-R69 PolarHBondContact O-NH2 3.23Å; T65-R69 WeakPolarHBondContact O-CG 3.49Å; T65-R69 PolarHBondContact O-N 3.37Å; T65-R69 VanDerWaalsContact O-N 3.12Å; R69-L73 WeakPolarHBondContact O-CB 3.48Å; R69-L73 WeakPolarHBondContact O-CD1 3.42Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.43Å; R69-L73 PolarHBondContact O-N 3Å
70C90.4Very high87.7Confident0 Ų036.5 Ų36.50%022%0.219CC..Hα-helixtrans-65.1-47.9-179-1680000111.6P66 T67 V68 L73 I74 F391 V577 F578P66-C70 WeakPolarHBondContact O-CB 3.32Å; P66-C70 PolarHBondContact O-N 3.29Å; T67-C70 PolarHBondContact O-N 3.35Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 3Å; C70-L73 PolarHBondContact O-N 3.47Å; C70-I74 WeakPolarHBondContact O-CB 3.39Å; C70-I74 WeakPolarHBondContact O-CD1 3.46Å; C70-I74 WeakPolarHBondContact O-CG1 3.44Å; C70-I74 PolarHBondContact O-N 3.18Å; C70-F391 HydrophobicContact CB-CD2 4.44Å; C70-F391 HydrophobicContact CB-CE2 4.09Å; C70-V577 HydrophobicContact CB-CB 4.42Å; C70-V577 HydrophobicContact CB-CG1 4.17Å; C70-V577 HydrophobicContact CB-CG2 4.41Å; C70-F578 HydrophobicContact CB-CE2 3.99Å
71V91.5Very high86.9Confident13 Ų1331.2 Ų31.28%0.07919%0.192CC..Hα-helixtrans-62.1-46.1179.5173.90000110.4T67 V68 L73 I74 T75 N387 Y388 F391T67-V71 WeakPolarHBondContact O-CG2 3.34Å; T67-V71 PolarHBondContact O-N 2.96Å; V68-V71 PolarHBondContact O-N 3.46Å; V71-L73 PolarHBondContact O-N 2.9Å; V71-I74 PolarHBondContact O-N 3.43Å; V71-T75 HydrophobicContact CG1-CG2 4.06Å; V71-T75 WeakPolarHBondContact O-CB 3.47Å; V71-T75 WeakPolarHBondContact O-CG2 3.28Å; V71-T75 PolarHBondContact O-N 2.89Å; V71-T75 PolarHBondContact O-OG1 3.5Å; V71-N387 HydrophobicContact CG1-CB 4.45Å; V71-Y388 HydrophobicContact CG2-CD2 4.28Å; V71-F391 HydrophobicContact CG2-CB 4.09Å; V71-F391 HydrophobicContact CG2-CD1 4.11Å; V71-F391 HydrophobicContact CG2-CG 4.09Å
72V89.7Confident86Confident6 Ų631.9 Ų31.94%0.03619%0.192CC..Hα-helixtrans-61.1-45.9178.2173.90000111.3F23 V27 F58 V68 I74 T75 L76F23-V72 HydrophobicContact CE1-CG1 4.25Å; V27-V72 HydrophobicContact CB-CG1 4.3Å; V27-V72 HydrophobicContact CG1-CG1 3.77Å; V27-V72 HydrophobicContact CG2-CG1 4.38Å; F58-V72 HydrophobicContact CD1-CG1 4.35Å; F58-V72 HydrophobicContact CD1-CG2 4.22Å; F58-V72 HydrophobicContact CE1-CG1 4.49Å; F58-V72 HydrophobicContact CE1-CG2 4.23Å; V68-V72 HydrophobicContact CG1-CG2 3.87Å; V68-V72 WeakPolarHBondContact O-CB 3.4Å; V68-V72 VanDerWaalsContact O-CG2 3.25Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 3.23Å; V72-I74 PolarHBondContact O-N 3.45Å; V72-T75 VanDerWaalsContact CA-OG1 3.29Å; V72-T75 WeakPolarHBondContact CA-OG1 3.45Å; V72-T75 PolarHBondContact O-N 2.89Å; V72-T75 VanDerWaalsContact O-N 3.15Å; V72-T75 PolarHBondContact O-OG1 2.82Å; V72-L76 PolarHBondContact O-N 3.44Å
73L88.6Confident85.1Confident38 Ų3836.8 Ų36.820%0.19922%0.218CC..Hα-helixtrans-61.3-43.7176-76.9167.3000112.7F23 R69 C70 V71 T75 I77 I573F23-L73 HydrophobicContact CE1-CD2 3.6Å; F23-L73 HydrophobicContact CE1-CG 4Å; F23-L73 HydrophobicContact CE2-CD2 4.14Å; F23-L73 HydrophobicContact CZ-CD2 3.36Å; F23-L73 HydrophobicContact CZ-CG 4.21Å; R69-L73 WeakPolarHBondContact O-CB 3.48Å; R69-L73 WeakPolarHBondContact O-CD1 3.42Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.43Å; R69-L73 PolarHBondContact O-N 3Å; C70-L73 PolarHBondContact O-N 3.47Å; V71-L73 PolarHBondContact O-N 2.9Å; L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 2.67Å; L73-I77 PolarHBondContact O-N 2.99Å; L73-I573 HydrophobicContact CB-CG2 4Å; L73-I573 HydrophobicContact CD1-CG2 4.3Å
74I89.3Confident84.3Confident0 Ų035.6 Ų35.60%021%0.208CC..Hα-helixtrans-62.8-41.2175.2-67.9166.2000109.6C70 V71 V72 L76 I77 T78 N387 W390 R570 I573C70-I74 WeakPolarHBondContact O-CB 3.39Å; C70-I74 WeakPolarHBondContact O-CD1 3.46Å; C70-I74 WeakPolarHBondContact O-CG1 3.44Å; C70-I74 PolarHBondContact O-N 3.18Å; V71-I74 PolarHBondContact O-N 3.43Å; V72-I74 PolarHBondContact O-N 3.45Å; I74-L76 PolarHBondContact O-N 3.4Å; I74-I77 WeakPolarHBondContact O-CB 3.29Å; I74-I77 PolarHBondContact O-N 3.43Å; I74-I77 VanDerWaalsContact O-N 3.17Å; I74-T78 HydrophobicContact CG2-CG2 4.3Å; I74-T78 WeakPolarHBondContact O-CG2 3.41Å; I74-T78 PolarHBondContact O-N 3.42Å; I74-N387 HydrophobicContact CG2-CB 4.09Å; I74-N387 VanDerWaalsContact CG2-OD1 3.28Å; I74-N387 WeakPolarHBondContact CG2-OD1 3.02Å; I74-W390 HydrophobicContact CD1-CE3 4.1Å; I74-W390 HydrophobicContact CD1-CZ3 3.71Å; I74-R570 HydrophobicContact CG1-CB 4.24Å; I74-R570 HydrophobicContact CG2-CB 4.05Å; I74-I573 HydrophobicContact CG1-CG2 4.26Å
75T87.2Confident83.9Confident10 Ų1032.7 Ų32.76%0.06118%0.183CC..Hα-helixtrans-66.8-39.8-177.661.60000112.7V71 V72 L73 I77 T78 V79 L384 N387V71-T75 HydrophobicContact CG1-CG2 4.06Å; V71-T75 WeakPolarHBondContact O-CB 3.47Å; V71-T75 WeakPolarHBondContact O-CG2 3.28Å; V71-T75 PolarHBondContact O-N 2.89Å; V71-T75 PolarHBondContact O-OG1 3.5Å; V72-T75 VanDerWaalsContact CA-OG1 3.29Å; V72-T75 WeakPolarHBondContact CA-OG1 3.45Å; V72-T75 PolarHBondContact O-N 2.89Å; V72-T75 VanDerWaalsContact O-N 3.15Å; V72-T75 PolarHBondContact O-OG1 2.82Å; L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 2.67Å; T75-I77 PolarHBondContact O-N 3.22Å; T75-T78 VanDerWaalsContact CA-OG1 3.24Å; T75-T78 WeakPolarHBondContact CA-OG1 3.08Å; T75-T78 PolarHBondContact O-N 2.88Å; T75-T78 PolarHBondContact O-OG1 3.31Å; T75-V79 WeakPolarHBondContact O-CG2 3.47Å; T75-V79 PolarHBondContact O-N 3.47Å; T75-L384 HydrophobicContact CG2-CD2 3.7Å; T75-L384 HydrophobicContact CG2-CG 4.39Å; T75-N387 HydrophobicContact CG2-CB 3.57Å; T75-N387 WeakPolarHBondContact CG2-ND2 3.31Å
76L84.8Confident83.4Confident59 Ų5931.6 Ų31.631%0.30918%0.177SC..Hα-helixtrans-56.2-43.3173.2-176.667000110.6F23 V72 I74 V79 I80F23-L76 HydrophobicContact CE2-CD2 4.29Å; F23-L76 HydrophobicContact CZ-CD2 4.06Å; V72-L76 PolarHBondContact O-N 3.44Å; I74-L76 PolarHBondContact O-N 3.4Å; L76-V79 PolarHBondContact O-N 2.95Å; L76-I80 HydrophobicContact CG-CD1 4.37Å; L76-I80 WeakPolarHBondContact O-CD1 3.42Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.26Å; L76-I80 PolarHBondContact O-N 3.48Å
77I84.3Confident83Confident20 Ų2029.7 Ų29.710%0.10316%0.164CC..Hα-helixtrans-68.8-39.4176.1-72.6158.8000111.4L73 I74 T75 V79 I80 N81 L566 L569 I573L73-I77 PolarHBondContact O-N 2.99Å; I74-I77 WeakPolarHBondContact O-CB 3.29Å; I74-I77 PolarHBondContact O-N 3.43Å; I74-I77 VanDerWaalsContact O-N 3.17Å; T75-I77 PolarHBondContact O-N 3.22Å; I77-V79 VanDerWaalsContact C-N 3.32Å; I77-V79 PolarHBondContact O-N 3.24Å; I77-I80 CarbonylContact O-C 3.58Å; I77-I80 PolarHBondContact O-N 2.91Å; I77-I80 VanDerWaalsContact O-N 3.13Å; I77-N81 WeakPolarHBondContact O-CB 3.38Å; I77-N81 PolarHBondContact O-N 2.93Å; I77-L566 HydrophobicContact CG2-CB 3.75Å; I77-L566 HydrophobicContact CG2-CD2 4.25Å; I77-L566 HydrophobicContact CG2-CG 4.44Å; I77-L566 WeakPolarHBondContact CG2-O 3.29Å; I77-L569 HydrophobicContact CD1-CB 4.47Å; I77-L569 HydrophobicContact CD1-CD2 3.48Å; I77-L569 VanDerWaalsContact CD1-CD2 3.48Å; I77-L569 HydrophobicContact CD1-CG 3.82Å; I77-L569 HydrophobicContact CG1-CD2 4.05Å; I77-L569 HydrophobicContact CG2-CD2 4.5Å; I77-I573 HydrophobicContact CD1-CD1 2.95Å; I77-I573 HydrophobicContact CD1-CG1 4.38Å; I77-I573 HydrophobicContact CG1-CD1 4.42Å
78T81Confident82.6Confident9 Ų928.3 Ų28.36%0.05515%0.154CC..Hα-helixtrans-65.1-33.8177.157.90000113.5I74 T75 I80 N81 G84 N387I74-T78 HydrophobicContact CG2-CG2 4.3Å; I74-T78 WeakPolarHBondContact O-CG2 3.41Å; I74-T78 PolarHBondContact O-N 3.42Å; T75-T78 VanDerWaalsContact CA-OG1 3.24Å; T75-T78 WeakPolarHBondContact CA-OG1 3.08Å; T75-T78 PolarHBondContact O-N 2.88Å; T75-T78 PolarHBondContact O-OG1 3.31Å; T78-I80 VanDerWaalsContact C-N 3.26Å; T78-I80 PolarHBondContact O-N 3.21Å; T78-N81 WeakPolarHBondContact O-CB 3.33Å; T78-N81 PolarHBondContact O-N 2.82Å; T78-G84 WeakPolarHBondContact O-CA 3.3Å; T78-G84 PolarHBondContact O-N 2.94Å; T78-G84 VanDerWaalsContact O-N 3.09Å; T78-N387 WeakPolarHBondContact CG2-ND2 3.18Å; T78-N387 WeakPolarHBondContact CG2-OD1 3.44Å; T78-N387 PolarHBondContact OG1-ND2 3.38Å
79V77.2Confident82.3Confident46 Ų4627.5 Ų27.528%0.27915%0.147SC..Hα-helixtrans-65-35.3173.6172.60000110.6T75 L76 I77 N81 I87 Q559T75-V79 WeakPolarHBondContact O-CG2 3.47Å; T75-V79 PolarHBondContact O-N 3.47Å; L76-V79 PolarHBondContact O-N 2.95Å; I77-V79 VanDerWaalsContact C-N 3.32Å; I77-V79 PolarHBondContact O-N 3.24Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 2.62Å; V79-I87 HydrophobicContact CG1-CD1 4.49Å; V79-I87 HydrophobicContact CG2-CD1 4.46Å; V79-Q559 PolarHBondContact O-NE2 3.17Å
80I77.7Confident81.9Confident83 Ų8326.7 Ų26.743%0.42615%0.146SC..Hα-helixtrans-78.5-11.8174.8-57.4163.9000111.6L76 I77 T78 Q559 L566L76-I80 HydrophobicContact CG-CD1 4.37Å; L76-I80 WeakPolarHBondContact O-CD1 3.42Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.26Å; L76-I80 PolarHBondContact O-N 3.48Å; I77-I80 CarbonylContact O-C 3.58Å; I77-I80 PolarHBondContact O-N 2.91Å; I77-I80 VanDerWaalsContact O-N 3.13Å; T78-I80 VanDerWaalsContact C-N 3.26Å; T78-I80 PolarHBondContact O-N 3.21Å; I80-Q559 WeakPolarHBondContact O-CG 3.38Å; I80-Q559 PolarHBondContact O-NE2 2.77Å; I80-L566 HydrophobicContact CB-CD1 4.16Å; I80-L566 HydrophobicContact CG2-CD1 3.65Å
81N76.8Confident81.5Confident3 Ų328.3 Ų28.32%0.01616%0.159CC..SBendtrans-95.4178.8-173.1-166.42.1000112.4I77 T78 V79 D83 G84 Q85 G563 L566 I567I77-N81 WeakPolarHBondContact O-CB 3.38Å; I77-N81 PolarHBondContact O-N 2.93Å; T78-N81 WeakPolarHBondContact O-CB 3.33Å; T78-N81 PolarHBondContact O-N 2.82Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 2.62Å; N81-D83 PolarHBondContact O-N 2.95Å; N81-G84 WeakPolarHBondContact O-CA 3.25Å; N81-G84 PolarHBondContact O-N 3.42Å; N81-Q85 PolarHBondContact O-N 3.48Å; N81-G563 WeakPolarHBondContact OD1-CA 3.16Å; N81-G563 PolarHBondContact OD1-O 2.73Å; N81-L566 HydrophobicContact CB-CB 4.36Å; N81-I567 WeakPolarHBondContact ND2-CG1 3.43Å
82L71.5Confident81.3Confident29 Ų2927.7 Ų27.715%0.15216%0.156CC..G310 helixtrans-50.5-36.9175.2-15679.7000113G84 Q85 Q450L82-G84 VanDerWaalsContact C-N 3.33Å; L82-Q85 WeakPolarHBondContact O-CB 3.3Å; L82-Q85 WeakPolarHBondContact O-CG 3.44Å; L82-Q85 PolarHBondContact O-N 3.06Å; L82-Q450 HydrophobicContact CD2-CB 4.04Å
83D71.2Confident81.1Confident103 Ų10331.5 Ų31.555%0.55117%0.174SC*.G310 helixtrans-68.7-32.5178.6-63.5-32.6000112.2N81 Q85 S86N81-D83 PolarHBondContact O-N 2.95Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; D83-S86 PolarHBondContact O-OG 2.7Å
84G73.8Confident80.8Confident4 Ų429.9 Ų29.94%0.04117%0.166CC..G310 helixtrans-80.3-8.4177.100000114.8T78 N81 L82 S86 I87T78-G84 WeakPolarHBondContact O-CA 3.3Å; T78-G84 PolarHBondContact O-N 2.94Å; T78-G84 VanDerWaalsContact O-N 3.09Å; N81-G84 WeakPolarHBondContact O-CA 3.25Å; N81-G84 PolarHBondContact O-N 3.42Å; L82-G84 VanDerWaalsContact C-N 3.33Å; G84-S86 PolarHBondContact O-N 3.06Å; G84-S86 VanDerWaalsContact O-N 3.13Å; G84-I87 PolarHBondContact O-N 3.33Å; G84-I87 VanDerWaalsContact O-N 3.09Å
85Q80.1Confident80.6Confident8 Ų832.2 Ų32.24%0.03718%0.176CC..Hα-helixtrans-55.9-32.4178.5-74.9-175.8-22.400112.6N81 L82 D83 I87 I88 Q89 L556 Q559N81-Q85 PolarHBondContact O-N 3.48Å; L82-Q85 WeakPolarHBondContact O-CB 3.3Å; L82-Q85 WeakPolarHBondContact O-CG 3.44Å; L82-Q85 PolarHBondContact O-N 3.06Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-I87 VanDerWaalsContact C-N 3.27Å; Q85-I87 PolarHBondContact O-N 3.44Å; Q85-I88 PolarHBondContact O-N 3.48Å; Q85-Q89 WeakPolarHBondContact O-CB 3.37Å; Q85-Q89 WeakPolarHBondContact O-CG 3.36Å; Q85-Q89 PolarHBondContact O-N 3.13Å; Q85-L556 HydrophobicContact CB-CD2 4.01Å; Q85-L556 HydrophobicContact CG-CD2 4.02Å; Q85-L556 PolarHBondContact NE2-O 2.88Å; Q85-Q559 HydrophobicContact CG-CB 4.03Å
86S79Confident80.6Confident27 Ų2732.2 Ų32.219%0.18918%0.176CC..Hα-helixtrans-53.8-42.3177.351.10000112.7D83 G84 Q89 C90 F379D83-S86 PolarHBondContact O-OG 2.7Å; G84-S86 PolarHBondContact O-N 3.06Å; G84-S86 VanDerWaalsContact O-N 3.13Å; S86-Q89 PolarHBondContact O-N 3.41Å; S86-C90 PolarHBondContact O-N 3.1Å; S86-C90 PolarHBondContact O-SG 3.32Å; S86-C90 VanDerWaalsContact O-SG 3.32Å; S86-F379 WeakPolarHBondContact OG-CD1 3.41Å
87I78.2Confident80.6Confident18 Ų1830.3 Ų30.39%0.09217%0.169CC..Hα-helixtrans-63.8-47.5179.7-61166.6000110.2V79 G84 Q85 C90 A91 F379 V380V79-I87 HydrophobicContact CG1-CD1 4.49Å; V79-I87 HydrophobicContact CG2-CD1 4.46Å; G84-I87 PolarHBondContact O-N 3.33Å; G84-I87 VanDerWaalsContact O-N 3.09Å; Q85-I87 VanDerWaalsContact C-N 3.27Å; Q85-I87 PolarHBondContact O-N 3.44Å; I87-C90 PolarHBondContact O-N 3.38Å; I87-A91 PolarHBondContact O-N 2.93Å; I87-F379 HydrophobicContact CD1-CB 3.97Å; I87-F379 HydrophobicContact CG1-CB 3.49Å; I87-F379 VanDerWaalsContact CG1-CB 3.49Å; I87-F379 HydrophobicContact CG1-CD2 4.33Å; I87-F379 HydrophobicContact CG1-CG 4.15Å; I87-V380 HydrophobicContact CD1-CG2 3.66Å
88I82.8Confident80.5Confident29 Ų2932.3 Ų32.315%0.14918%0.18CC..Hα-helixtrans-71.8-33.4-178.9-68.8156.6000111.2Q85 A91 L92 Y552 I555 L556Q85-I88 PolarHBondContact O-N 3.48Å; I88-A91 PolarHBondContact O-N 3.33Å; I88-L92 VanDerWaalsContact O-CB 3.25Å; I88-L92 WeakPolarHBondContact O-CB 3.29Å; I88-L92 PolarHBondContact O-N 2.86Å; I88-Y552 HydrophobicContact CG2-CD1 3.79Å; I88-I555 HydrophobicContact CD1-CG2 3.81Å; I88-L556 HydrophobicContact CB-CD2 3.81Å; I88-L556 HydrophobicContact CB-CG 4.43Å; I88-L556 HydrophobicContact CG2-CD1 4.21Å; I88-L556 HydrophobicContact CG2-CD2 3.6Å; I88-L556 HydrophobicContact CG2-CG 3.66Å
89Q84.4Confident80.8Confident37 Ų3732.5 Ų32.517%0.17318%0.181CC..Hα-helixtrans-63.3-44.4173.2-73.1175.4-7.500111.3Q85 S86 L92 M93 L461 L556Q85-Q89 WeakPolarHBondContact O-CB 3.37Å; Q85-Q89 WeakPolarHBondContact O-CG 3.36Å; Q85-Q89 PolarHBondContact O-N 3.13Å; S86-Q89 PolarHBondContact O-N 3.41Å; Q89-L92 PolarHBondContact O-N 3.39Å; Q89-M93 WeakPolarHBondContact O-CG 3.28Å; Q89-M93 PolarHBondContact O-N 3.46Å; Q89-L461 HydrophobicContact CB-CD2 4.13Å; Q89-L461 HydrophobicContact CG-CD2 3.69Å; Q89-L556 HydrophobicContact CG-CD1 4.07Å; Q89-L556 HydrophobicContact CG-CD2 4Å
90C81Confident81.3Confident19 Ų1930.4 Ų30.413%0.12817%0.169CC..Hα-helixtrans-62.3-44174-71.60000111.7S86 I87 L92 M93 A94S86-C90 PolarHBondContact O-N 3.1Å; S86-C90 PolarHBondContact O-SG 3.32Å; S86-C90 VanDerWaalsContact O-SG 3.32Å; I87-C90 PolarHBondContact O-N 3.38Å; C90-L92 PolarHBondContact O-N 3.28Å; C90-M93 PolarHBondContact O-N 3.06Å; C90-A94 WeakPolarHBondContact O-CB 3.48Å; C90-A94 PolarHBondContact O-N 2.92Å
91A81.5Confident81.7Confident33 Ų3326.9 Ų26.927%0.27315%0.152SC..Hα-helixtrans-62.6-40.8176.200000112.5I87 I88 A94 K95 Y552I87-A91 PolarHBondContact O-N 2.93Å; I88-A91 PolarHBondContact O-N 3.33Å; A91-A94 PolarHBondContact O-N 2.67Å; A91-K95 WeakPolarHBondContact O-CB 2.99Å; A91-K95 PolarHBondContact O-N 3.07Å; A91-Y552 HydrophobicContact CB-CE1 4.46Å
92L87.7Confident82Confident0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-64-42.8175173.358000111.6I88 Q89 C90 K95 L96 L461 I549 Y552 F553 L556I88-L92 VanDerWaalsContact O-CB 3.25Å; I88-L92 WeakPolarHBondContact O-CB 3.29Å; I88-L92 PolarHBondContact O-N 2.86Å; Q89-L92 PolarHBondContact O-N 3.39Å; C90-L92 PolarHBondContact O-N 3.28Å; L92-K95 PolarHBondContact O-N 3.44Å; L92-L96 HydrophobicContact CD1-CD1 3.98Å; L92-L96 HydrophobicContact CD1-CG 4.15Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 WeakPolarHBondContact O-CB 3.17Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.32Å; L92-L461 HydrophobicContact CD2-CD2 3.73Å; L92-L461 HydrophobicContact CD2-CG 4.15Å; L92-I549 HydrophobicContact CD1-CB 4.39Å; L92-I549 HydrophobicContact CD1-CG1 4.49Å; L92-I549 HydrophobicContact CD1-CG2 3.85Å; L92-Y552 HydrophobicContact CB-CG 4.45Å; L92-Y552 HydrophobicContact CD1-CD2 4.31Å; L92-Y552 HydrophobicContact CD1-CG 4.49Å; L92-F553 HydrophobicContact CD1-CE2 4.18Å; L92-F553 HydrophobicContact CD2-CD1 4.25Å; L92-F553 HydrophobicContact CD2-CD2 4.23Å; L92-F553 HydrophobicContact CD2-CE1 3.89Å; L92-F553 HydrophobicContact CD2-CE2 3.88Å; L92-F553 HydrophobicContact CD2-CG 4.4Å; L92-F553 HydrophobicContact CD2-CZ 3.68Å; L92-L556 HydrophobicContact CD2-CD1 3.84Å
93M84.1Confident82.9Confident87 Ų8729.9 Ų29.943%0.42917%0.166SC..Hα-helixtrans-64.3-43.4175.7-74.8-177.3171.900112.3Q89 C90 K95 L96 A97 L372 L461Q89-M93 WeakPolarHBondContact O-CG 3.28Å; Q89-M93 PolarHBondContact O-N 3.46Å; C90-M93 PolarHBondContact O-N 3.06Å; M93-K95 VanDerWaalsContact C-N 3.33Å; M93-L96 PolarHBondContact O-N 3.11Å; M93-A97 WeakPolarHBondContact O-CB 3.45Å; M93-A97 PolarHBondContact O-N 3.36Å; M93-L372 HydrophobicContact CB-CD1 4.05Å; M93-L461 HydrophobicContact CE-CD1 3.6Å; M93-L461 HydrophobicContact CG-CD1 4.18Å
94A82.7Confident83.8Confident4 Ų427 Ų273%0.03315%0.15CC..Hα-helixtrans-59.7-45.417400000110.8C90 A91 L96 A97 D98C90-A94 WeakPolarHBondContact O-CB 3.48Å; C90-A94 PolarHBondContact O-N 2.92Å; A91-A94 PolarHBondContact O-N 2.67Å; A94-L96 PolarHBondContact O-N 3.13Å; A94-A97 PolarHBondContact O-N 3.18Å; A94-D98 PolarHBondContact O-N 3.31Å
95K85.3Confident84.4Confident48 Ų4827.7 Ų27.721%0.20915%0.153CC..Hα-helixtrans-63.6-42.1177.4-164.962.7171.2177.90112.8A91 L92 M93 A97 D98 T99 E545 I549 Y552A91-K95 WeakPolarHBondContact O-CB 2.99Å; A91-K95 PolarHBondContact O-N 3.07Å; L92-K95 PolarHBondContact O-N 3.44Å; M93-K95 VanDerWaalsContact C-N 3.33Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.93Å; K95-D98 PolarHBondContact O-N 2.9Å; K95-T99 WeakPolarHBondContact O-CB 3.36Å; K95-T99 PolarHBondContact O-N 2.93Å; K95-T99 PolarHBondContact O-OG1 3.49Å; K95-T99 VanDerWaalsContact O-OG1 3.1Å; K95-E545 VanDerWaalsContact CE-CD 3.48Å; K95-E545 WeakPolarHBondContact CE-OE2 3.41Å; K95-E545 IonicContact NZ-OE1 3.54Å; K95-E545 PolarHBondContact NZ-OE1 3.39Å; K95-E545 IonicContact NZ-OE2 3.56Å; K95-E545 PolarHBondContact NZ-OE2 3.38Å; K95-I549 HydrophobicContact CG-CG1 4.14Å; K95-Y552 HydrophobicContact CB-CE2 4.4Å; K95-Y552 HydrophobicContact CG-CE2 4.36Å
96L87.9Confident84.8Confident10 Ų1030.3 Ų30.35%0.05217%0.167CC..Hα-helixtrans-62-40.5175.3-78.1163.1000112L92 M93 A94 A100 G101 A465 L468 I469 I549L92-L96 HydrophobicContact CD1-CD1 3.98Å; L92-L96 HydrophobicContact CD1-CG 4.15Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 WeakPolarHBondContact O-CB 3.17Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.32Å; M93-L96 PolarHBondContact O-N 3.11Å; A94-L96 PolarHBondContact O-N 3.13Å; L96-A100 PolarHBondContact O-N 2.89Å; L96-A100 VanDerWaalsContact O-N 3.17Å; L96-G101 PolarHBondContact O-N 3.46Å; L96-A465 HydrophobicContact CD1-CB 3.49Å; L96-A465 VanDerWaalsContact CD1-CB 3.49Å; L96-A465 HydrophobicContact CD2-CB 3.9Å; L96-A465 HydrophobicContact CG-CB 4.36Å; L96-L468 HydrophobicContact CB-CD2 4.19Å; L96-I469 HydrophobicContact CD2-CD1 4.21Å; L96-I469 HydrophobicContact CD2-CG1 4.37Å; L96-I549 HydrophobicContact CD2-CD1 3.83Å; L96-I549 HydrophobicContact CD2-CG1 4.37Å; L96-I549 HydrophobicContact CD2-CG2 4.01Å; L96-I549 HydrophobicContact CG-CD1 4.44Å
97A84.1Confident85.4Confident19 Ų1929 Ų2916%0.15716%0.158CC..Iπ-helixtrans-65.1-43.1175.600000111.5M93 A94 K95 G101 Q102M93-A97 WeakPolarHBondContact O-CB 3.45Å; M93-A97 PolarHBondContact O-N 3.36Å; A94-A97 PolarHBondContact O-N 3.18Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.93Å; A97-G101 CarbonylContact O-C 3.54Å; A97-G101 VanDerWaalsContact O-CA 3.3Å; A97-G101 WeakPolarHBondContact O-CA 3.44Å; A97-G101 PolarHBondContact O-N 2.68Å; A97-Q102 WeakPolarHBondContact O-CG 3.36Å; A97-Q102 PolarHBondContact O-N 3.18Å
98D82.7Confident85.8Confident63 Ų6332 Ų3234%0.33717%0.17SC..Iπ-helixtrans-75.4-26.6-178.6-70.3-22.8000114A94 K95 Q102 S369A94-D98 PolarHBondContact O-N 3.31Å; K95-D98 PolarHBondContact O-N 2.9Å; D98-Q102 WeakPolarHBondContact O-CB 3.4Å; D98-Q102 PolarHBondContact OD1-NE2 3.02Å; D98-S369 PolarHBondContact OD1-OG 3Å; D98-S369 PolarHBondContact OD2-OG 2.93Å
99T87.2Confident86Confident13 Ų1334.5 Ų34.58%0.0818%0.181CC..Iπ-helixtrans-92.9-85.8178-55.70000110.8K95 G101 N103 T541 E545 I549K95-T99 WeakPolarHBondContact O-CB 3.36Å; K95-T99 PolarHBondContact O-N 2.93Å; K95-T99 PolarHBondContact O-OG1 3.49Å; K95-T99 VanDerWaalsContact O-OG1 3.1Å; T99-G101 PolarHBondContact O-N 3.34Å; T99-N103 VanDerWaalsContact O-CB 3.25Å; T99-N103 WeakPolarHBondContact O-CB 3.38Å; T99-N103 PolarHBondContact O-N 3.34Å; T99-T541 HydrophobicContact CG2-CG2 3.54Å; T99-E545 HydrophobicContact CG2-CB 3.69Å; T99-I549 HydrophobicContact CG2-CD1 4.35Å
100A88.5Confident86.2Confident2 Ų236.3 Ų36.32%0.01719%0.187CC..Iπ-helixtrans-67.6-36.4-174.500000112.4L96 L104 L468 I469 D472L96-A100 PolarHBondContact O-N 2.89Å; L96-A100 VanDerWaalsContact O-N 3.17Å; A100-L104 VanDerWaalsContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 PolarHBondContact O-N 3.08Å; A100-L468 HydrophobicContact CB-CD2 3.94Å; A100-L468 HydrophobicContact CB-CG 4.04Å; A100-I469 HydrophobicContact CB-CG1 4.42Å; A100-D472 HydrophobicContact CB-CB 4.3Å
101G85.1Confident86.6Confident8 Ų836.3 Ų36.38%0.08219%0.188CC..Iπ-helixtrans-64.4-49.1178.600000113L96 A97 T99 I105L96-G101 PolarHBondContact O-N 3.46Å; A97-G101 CarbonylContact O-C 3.54Å; A97-G101 VanDerWaalsContact O-CA 3.3Å; A97-G101 WeakPolarHBondContact O-CA 3.44Å; A97-G101 PolarHBondContact O-N 2.68Å; T99-G101 PolarHBondContact O-N 3.34Å; G101-I105 WeakPolarHBondContact O-CG1 3.4Å; G101-I105 PolarHBondContact O-N 2.89Å
102Q84.1Confident86.8Confident83 Ų8335.8 Ų35.839%0.38818%0.181SC..Hα-helixtrans-69.4-37.9176.7-69.2-173.924.100112A97 D98 I105 L106A97-Q102 WeakPolarHBondContact O-CG 3.36Å; A97-Q102 PolarHBondContact O-N 3.18Å; D98-Q102 WeakPolarHBondContact O-CB 3.4Å; D98-Q102 PolarHBondContact OD1-NE2 3.02Å; Q102-I105 PolarHBondContact O-N 3.47Å; Q102-L106 WeakPolarHBondContact O-CB 3.5Å; Q102-L106 PolarHBondContact O-N 3.2Å
103N89.8Confident86.7Confident13 Ų1339.7 Ų39.77%0.0720%0.202CC..Hα-helixtrans-63.1-43177.2-167.463.1000112T99 I105 L106 N107 D472 S539 T541T99-N103 VanDerWaalsContact O-CB 3.25Å; T99-N103 WeakPolarHBondContact O-CB 3.38Å; T99-N103 PolarHBondContact O-N 3.34Å; N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 2.94Å; N103-L106 PolarHBondContact O-N 2.89Å; N103-N107 PolarHBondContact ND2-ND2 2.88Å; N103-N107 WeakPolarHBondContact O-CB 3.21Å; N103-N107 PolarHBondContact O-N 3.47Å; N103-D472 PolarHBondContact ND2-OD1 3.2Å; N103-D472 PolarHBondContact ND2-OD2 2.84Å; N103-D472 VanDerWaalsContact ND2-OD2 3.14Å; N103-S539 PolarHBondContact ND2-O 3.22Å; N103-S539 WeakPolarHBondContact OD1-CB 3.46Å; N103-S539 PolarHBondContact OD1-O 3.41Å; N103-S539 PolarHBondContact OD1-OG 3.13Å; N103-T541 WeakPolarHBondContact CB-OG1 3.33Å; N103-T541 PolarHBondContact ND2-OG1 3.28Å
104L89.9Confident86.9Confident41 Ų4136.3 Ų36.322%0.21519%0.187CC..Hα-helixtrans-59.1-45.5175.6-179.965.4000111.4A100 N107 F108 V471 D472 F475A100-L104 VanDerWaalsContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 PolarHBondContact O-N 3.08Å; L104-N107 PolarHBondContact O-N 3.46Å; L104-F108 WeakPolarHBondContact O-CB 3.45Å; L104-F108 PolarHBondContact O-N 3.3Å; L104-V471 HydrophobicContact CD1-CG1 4.16Å; L104-V471 HydrophobicContact CD2-CG1 4.05Å; L104-D472 WeakPolarHBondContact CA-OD1 3.48Å; L104-D472 PolarHBondContact N-OD1 2.71Å; L104-D472 VanDerWaalsContact N-OD1 3.17Å; L104-F475 HydrophobicContact CD1-CB 3.83Å; L104-F475 HydrophobicContact CD1-CD1 3.91Å; L104-F475 HydrophobicContact CD1-CG 3.89Å
105I86.2Confident87.2Confident20 Ų2040.1 Ų40.110%0.10321%0.21CC..Hα-helixtrans-67.2-40.2178.5-66.5166.7000111.6G101 Q102 N103 F108 Q109 F358 I361 T362 L365G101-I105 WeakPolarHBondContact O-CG1 3.4Å; G101-I105 PolarHBondContact O-N 2.89Å; Q102-I105 PolarHBondContact O-N 3.47Å; N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 2.94Å; I105-F108 PolarHBondContact O-N 3.47Å; I105-Q109 WeakPolarHBondContact O-CB 3.27Å; I105-Q109 PolarHBondContact O-N 3.22Å; I105-F358 HydrophobicContact CG2-CD1 4.45Å; I105-I361 HydrophobicContact CD1-CG2 3.96Å; I105-T362 HydrophobicContact CB-CG2 4.45Å; I105-T362 HydrophobicContact CD1-CG2 4.1Å; I105-T362 HydrophobicContact CG2-CG2 3.53Å; I105-L365 HydrophobicContact CD1-CD1 3.34Å
106L88Confident87.2Confident62 Ų6238.3 Ų38.333%0.32520%0.202SC..Hα-helixtrans-60.5-47.8176.6176.863.5000110.9Q102 N103 F108 Q109 R110Q102-L106 WeakPolarHBondContact O-CB 3.5Å; Q102-L106 PolarHBondContact O-N 3.2Å; N103-L106 PolarHBondContact O-N 2.89Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 3.08Å; L106-Q109 PolarHBondContact O-N 3Å; L106-R110 WeakPolarHBondContact O-CG 3.3Å; L106-R110 PolarHBondContact O-N 2.82Å
107N91.6Very high87.2Confident0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-60.4-41.5175.5-82.4-27.7000111.5N103 L104 R110 A111 F475 L479 S539N103-N107 PolarHBondContact ND2-ND2 2.88Å; N103-N107 WeakPolarHBondContact O-CB 3.21Å; N103-N107 PolarHBondContact O-N 3.47Å; L104-N107 PolarHBondContact O-N 3.46Å; N107-R110 PolarHBondContact O-N 3.24Å; N107-A111 WeakPolarHBondContact O-CB 3.4Å; N107-A111 PolarHBondContact O-N 3.11Å; N107-F475 HydrophobicContact CB-CD1 3.64Å; N107-F475 HydrophobicContact CB-CE1 3.69Å; N107-L479 HydrophobicContact CB-CD1 3.63Å; N107-S539 PolarHBondContact ND2-O 3.49Å; N107-S539 WeakPolarHBondContact OD1-CB 3.29Å; N107-S539 PolarHBondContact OD1-N 2.97Å
108F87.8Confident87.4Confident82 Ų8240.2 Ų40.236%0.3621%0.211SC..Hα-helixtrans-63.5-45.4178.4-167.4-79.4000111.2L104 I105 L106 R110 A111 T112 F358 F475L104-F108 WeakPolarHBondContact O-CB 3.45Å; L104-F108 PolarHBondContact O-N 3.3Å; I105-F108 PolarHBondContact O-N 3.47Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 3.08Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.8Å; F108-A111 WeakPolarHBondContact O-CB 3.42Å; F108-A111 PolarHBondContact O-N 3.29Å; F108-T112 VanDerWaalsContact CE1-OG1 3.28Å; F108-T112 WeakPolarHBondContact CE1-OG1 3.23Å; F108-T112 PolarHBondContact O-N 2.95Å; F108-T112 PolarHBondContact O-OG1 2.64Å; F108-T112 VanDerWaalsContact O-OG1 3.06Å; F108-F358 HydrophobicContact CD1-CD1 4.27Å; F108-F358 HydrophobicContact CD1-CD2 4.29Å; F108-F358 AromaticContact CD1-CE1 3.5Å; F108-F358 HydrophobicContact CD1-CE1 3.5Å; F108-F358 AromaticContact CD1-CE2 3.58Å; F108-F358 HydrophobicContact CD1-CE2 3.58Å; F108-F358 AromaticContact CD1-CZ 3.16Å; F108-F358 HydrophobicContact CD1-CZ 3.16Å; F108-F358 HydrophobicContact CE1-CD2 4.38Å; F108-F358 AromaticContact CE1-CE1 3.75Å; F108-F358 HydrophobicContact CE1-CE1 3.75Å; F108-F358 AromaticContact CE1-CE2 3.31Å; F108-F358 HydrophobicContact CE1-CE2 3.31Å; F108-F358 AromaticContact CE1-CZ 2.93Å; F108-F358 HydrophobicContact CE1-CZ 2.93Å; F108-F358 HydrophobicContact CG-CE1 4.17Å; F108-F358 HydrophobicContact CG-CZ 4.16Å; F108-F358 HydrophobicContact CZ-CE2 4.38Å; F108-F358 AromaticContact CZ-CZ 3.74Å; F108-F358 HydrophobicContact CZ-CZ 3.74Å; F108-F475 HydrophobicContact CB-CE1 4.18Å; F108-F475 HydrophobicContact CB-CZ 4.29Å; F108-F475 HydrophobicContact CD2-CE2 4.4Å; F108-F475 AromaticContact CD2-CZ 3.83Å; F108-F475 HydrophobicContact CD2-CZ 3.83Å; F108-F475 HydrophobicContact CG-CZ 4.45Å
109Q86Confident87.6Confident81 Ų8140.6 Ų40.638%0.37921%0.212SC..Hα-helixtrans-59.7-42.6176.7-175.7179.9-1100111.7I105 L106 T112 N113I105-Q109 WeakPolarHBondContact O-CB 3.27Å; I105-Q109 PolarHBondContact O-N 3.22Å; L106-Q109 PolarHBondContact O-N 3Å; Q109-T112 PolarHBondContact O-N 3.18Å; Q109-N113 VanDerWaalsContact O-CG 3.23Å; Q109-N113 PolarHBondContact O-N 2.94Å; Q109-N113 PolarHBondContact O-ND2 3.49Å
110R88.6Confident87.6Confident75 Ų7543.7 Ų43.728%0.28323%0.229SC..Hα-helixtrans-65.7-39.7176-67.5179.9179.1167.44.7112L106 N107 F108 N113 S114 T536 T537L106-R110 WeakPolarHBondContact O-CG 3.3Å; L106-R110 PolarHBondContact O-N 2.82Å; N107-R110 PolarHBondContact O-N 3.24Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.8Å; R110-N113 PolarHBondContact O-N 3.47Å; R110-S114 WeakPolarHBondContact O-CB 3.47Å; R110-S114 PolarHBondContact O-N 3.15Å; R110-T536 VanDerWaalsContact CB-OG1 3.28Å; R110-T536 WeakPolarHBondContact CB-OG1 3.43Å; R110-T537 WeakPolarHBondContact CD-O 3.36Å; R110-T537 PolarHBondContact NH1-O 3.28Å
111A89.8Confident87.6Confident19 Ų1944.8 Ų44.816%0.15724%0.235CC..Hα-helixtrans-60.4-46.2174.200000111.5N107 F108 N113 S114 V115 F475 L479N107-A111 WeakPolarHBondContact O-CB 3.4Å; N107-A111 PolarHBondContact O-N 3.11Å; F108-A111 WeakPolarHBondContact O-CB 3.42Å; F108-A111 PolarHBondContact O-N 3.29Å; A111-N113 PolarHBondContact O-N 2.79Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.33Å; A111-V115 WeakPolarHBondContact O-CG2 3.31Å; A111-V115 PolarHBondContact O-N 3.48Å; A111-F475 HydrophobicContact CB-CZ 4.34Å; A111-L479 HydrophobicContact CB-CD1 4.48Å; A111-L479 HydrophobicContact CB-CD2 3.54Å
112T86.7Confident87.7Confident22 Ų2247 Ų4714%0.13525%0.253CS..Hα-helixtrans-65.7-40.4178.9-48.40000112.4F108 Q109 S114 V115 L116 V354F108-T112 VanDerWaalsContact CE1-OG1 3.28Å; F108-T112 WeakPolarHBondContact CE1-OG1 3.23Å; F108-T112 PolarHBondContact O-N 2.95Å; F108-T112 PolarHBondContact O-OG1 2.64Å; F108-T112 VanDerWaalsContact O-OG1 3.06Å; Q109-T112 PolarHBondContact O-N 3.18Å; T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.88Å; T112-V115 PolarHBondContact O-N 2.95Å; T112-L116 HydrophobicContact CG2-CD1 3.64Å; T112-L116 HydrophobicContact CG2-CG 4.36Å; T112-L116 WeakPolarHBondContact O-CB 3.43Å; T112-L116 WeakPolarHBondContact O-CD1 3.49Å; T112-L116 WeakPolarHBondContact O-CG 3.45Å; T112-L116 PolarHBondContact O-N 3.48Å; T112-V354 HydrophobicContact CG2-CB 4.23Å; T112-V354 HydrophobicContact CG2-CG1 3.41Å; T112-V354 VanDerWaalsContact CG2-CG1 3.41Å; T112-V354 HydrophobicContact CG2-CG2 3.99Å
113N85.2Confident87.7Confident81 Ų8149.1 Ų49.143%0.43326%0.257SS..Hα-helixtrans-61-40.8173.7-70.4-16.2000111.8Q109 R110 A111 L116 C117Q109-N113 VanDerWaalsContact O-CG 3.23Å; Q109-N113 PolarHBondContact O-N 2.94Å; Q109-N113 PolarHBondContact O-ND2 3.49Å; R110-N113 PolarHBondContact O-N 3.47Å; A111-N113 PolarHBondContact O-N 2.79Å; N113-L116 PolarHBondContact O-N 3.34Å; N113-C117 VanDerWaalsContact O-CB 3.24Å; N113-C117 WeakPolarHBondContact O-CB 3.49Å; N113-C117 PolarHBondContact O-N 2.95Å
114S88.9Confident87.5Confident17 Ų1753 Ų5312%0.11928%0.278CS..Hα-helixtrans-63-44.3176.4-177.70000111.8R110 A111 T112 C117 N118 C534R110-S114 WeakPolarHBondContact O-CB 3.47Å; R110-S114 PolarHBondContact O-N 3.15Å; A111-S114 WeakPolarHBondContact O-CB 3.26Å; A111-S114 PolarHBondContact O-N 3.33Å; T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.88Å; S114-C117 WeakPolarHBondContact O-CB 3.45Å; S114-C117 PolarHBondContact O-N 3.39Å; S114-N118 PolarHBondContact O-N 2.89Å; S114-N118 PolarHBondContact O-ND2 3.18Å; S114-C534 WeakPolarHBondContact CA-O 3.48Å; S114-C534 WeakPolarHBondContact CB-O 3.41Å; S114-C534 PolarHBondContact OG-O 3.13Å
115V87.5Confident87.4Confident84 Ų8453 Ų5351%0.50928%0.278SS..Hα-helixtrans-62.4-48.2177170.90000111.1A111 T112 C117 N118 I119A111-V115 WeakPolarHBondContact O-CG2 3.31Å; A111-V115 PolarHBondContact O-N 3.48Å; T112-V115 PolarHBondContact O-N 2.95Å; V115-C117 VanDerWaalsContact C-N 3.31Å; V115-C117 PolarHBondContact O-N 3.13Å; V115-N118 PolarHBondContact O-N 2.76Å; V115-N118 VanDerWaalsContact O-N 3.15Å; V115-I119 HydrophobicContact CG1-CD1 3.94Å; V115-I119 WeakPolarHBondContact O-CG1 3.31Å; V115-I119 PolarHBondContact O-N 3.21Å
116L85.6Confident87.4Confident9 Ų955.7 Ų55.75%0.04730%0.298CS..Hα-helixtrans-63.2-39.4-178.7-70.6162.1000111.6T112 N113 I119 D120 L347 M350 L351T112-L116 HydrophobicContact CG2-CD1 3.64Å; T112-L116 HydrophobicContact CG2-CG 4.36Å; T112-L116 WeakPolarHBondContact O-CB 3.43Å; T112-L116 WeakPolarHBondContact O-CD1 3.49Å; T112-L116 WeakPolarHBondContact O-CG 3.45Å; T112-L116 PolarHBondContact O-N 3.48Å; N113-L116 PolarHBondContact O-N 3.34Å; L116-I119 HydrophobicContact CD2-CD1 4.46Å; L116-I119 PolarHBondContact O-N 3.07Å; L116-D120 PolarHBondContact O-N 3.41Å; L116-L347 HydrophobicContact CD2-CD2 4.37Å; L116-M350 HydrophobicContact CD2-CB 3.99Å; L116-L351 HydrophobicContact CB-CD2 4.15Å; L116-L351 HydrophobicContact CB-CG 4.45Å; L116-L351 HydrophobicContact CD1-CB 4.45Å; L116-L351 HydrophobicContact CD1-CD2 3.25Å; L116-L351 HydrophobicContact CD1-CG 3.65Å; L116-L351 HydrophobicContact CG-CD2 4.23Å; L116-L351 HydrophobicContact CG-CG 4.42Å
117C88.8Confident87.3Confident21 Ų2158.5 Ų58.514%0.14231%0.308CS..Hα-helixtrans-60.4-44.7172.1-174.30000113N113 S114 V115 I119 D120 V121 H533 C534N113-C117 VanDerWaalsContact O-CB 3.24Å; N113-C117 WeakPolarHBondContact O-CB 3.49Å; N113-C117 PolarHBondContact O-N 2.95Å; S114-C117 WeakPolarHBondContact O-CB 3.45Å; S114-C117 PolarHBondContact O-N 3.39Å; V115-C117 VanDerWaalsContact C-N 3.31Å; V115-C117 PolarHBondContact O-N 3.13Å; C117-I119 VanDerWaalsContact C-N 3.28Å; C117-I119 PolarHBondContact O-N 3.46Å; C117-D120 WeakPolarHBondContact O-CB 3.41Å; C117-D120 PolarHBondContact O-N 3.3Å; C117-V121 WeakPolarHBondContact O-CG2 3.35Å; C117-V121 PolarHBondContact O-N 3.23Å; C117-H533 PolarHBondContact SG-CE1 3.2Å; C117-H533 PolarHBondContact SG-ND1 3.28Å; C117-H533 VanDerWaalsContact SG-ND1 3.44Å; C117-C534 HydrophobicContact CB-CB 3.63Å; C117-C534 WeakPolarHBondContact CB-SG 3.44Å; C117-C534 PolarHBondContact O-SG 2.73Å; C117-C534 WeakPolarHBondContact SG-CA 3.44Å; C117-C534 WeakPolarHBondContact SG-CB 3.09Å; C117-C534 CovalentContact SG-SG 2.04Å; C117-C534 PolarHBondContact SG-SG 3.38Å
118N88.3Confident87Confident49 Ų4959.8 Ų59.826%0.26232%0.316SS..Hα-helixtrans-64.4-33.9176.7-80.6-74000112.1S114 V115 V121 A122 N531S114-N118 PolarHBondContact O-N 2.89Å; S114-N118 PolarHBondContact O-ND2 3.18Å; V115-N118 PolarHBondContact O-N 2.76Å; V115-N118 VanDerWaalsContact O-N 3.15Å; N118-V121 PolarHBondContact O-N 2.99Å; N118-A122 WeakPolarHBondContact O-CB 3.42Å; N118-A122 PolarHBondContact O-N 3.33Å; N118-N531 PolarHBondContact OD1-ND2 3.35Å
119I86.5Confident86.9Confident70 Ų7061.2 Ų61.236%0.35932%0.322SS..Hα-helixtrans-68.7-37.4174.6-58.2162.9000111V115 L116 C117 A122 R123 L347V115-I119 HydrophobicContact CG1-CD1 3.94Å; V115-I119 WeakPolarHBondContact O-CG1 3.31Å; V115-I119 PolarHBondContact O-N 3.21Å; L116-I119 HydrophobicContact CD2-CD1 4.46Å; L116-I119 PolarHBondContact O-N 3.07Å; C117-I119 VanDerWaalsContact C-N 3.28Å; C117-I119 PolarHBondContact O-N 3.46Å; I119-A122 PolarHBondContact O-N 3.47Å; I119-R123 WeakPolarHBondContact O-CB 3.31Å; I119-R123 PolarHBondContact O-N 2.96Å; I119-L347 HydrophobicContact CB-CD1 4.4Å; I119-L347 HydrophobicContact CB-CD2 3.87Å; I119-L347 HydrophobicContact CD1-CD2 4.28Å; I119-L347 HydrophobicContact CG2-CD1 3.87Å; I119-L347 HydrophobicContact CG2-CD2 3.37Å; I119-L347 HydrophobicContact CG2-CG 4.24Å
120D86.1Confident86.8Confident79 Ų7959.2 Ų59.242%0.42232%0.317SS..Hα-helixtrans-61.5-44.1172.8-80.7-38000112L116 C117 R123 N124 L347L116-D120 PolarHBondContact O-N 3.41Å; C117-D120 WeakPolarHBondContact O-CB 3.41Å; C117-D120 PolarHBondContact O-N 3.3Å; D120-R123 WeakPolarHBondContact O-CB 3.42Å; D120-R123 PolarHBondContact O-N 3.48Å; D120-N124 PolarHBondContact O-N 2.92Å; D120-L347 WeakPolarHBondContact OD1-CD1 3.41Å
121V88.5Confident86.7Confident24 Ų2457.2 Ų57.215%0.14532%0.316CS..Hα-helixtrans-61-46.7175174.10000110.8C117 N118 R123 N124 I125 I529C117-V121 WeakPolarHBondContact O-CG2 3.35Å; C117-V121 PolarHBondContact O-N 3.23Å; N118-V121 PolarHBondContact O-N 2.99Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 3.42Å; V121-N124 PolarHBondContact O-N 3.37Å; V121-N124 VanDerWaalsContact O-N 3.14Å; V121-I125 HydrophobicContact CG1-CD1 4.08Å; V121-I125 WeakPolarHBondContact O-CG1 3.5Å; V121-I125 PolarHBondContact O-N 3.49Å; V121-I529 HydrophobicContact CG1-CG2 3.76Å
122A88Confident86.5Confident55 Ų5557.8 Ų57.846%0.45532%0.316SS..Hα-helixtrans-60.5-38.7177.100000112.3N118 I119 I125 S126N118-A122 WeakPolarHBondContact O-CB 3.42Å; N118-A122 PolarHBondContact O-N 3.33Å; I119-A122 PolarHBondContact O-N 3.47Å; A122-I125 PolarHBondContact O-N 3.39Å; A122-S126 WeakPolarHBondContact O-CB 3.15Å; A122-S126 PolarHBondContact O-N 2.7Å
123R84.3Confident86.4Confident127 Ų12762.1 Ų62.148%0.47934%0.338SS..Hα-helixtrans-64.1-41.8174.4-173.9178.9-172.5157.52.2111.7I119 D120 V121 S126 K127I119-R123 WeakPolarHBondContact O-CB 3.31Å; I119-R123 PolarHBondContact O-N 2.96Å; D120-R123 WeakPolarHBondContact O-CB 3.42Å; D120-R123 PolarHBondContact O-N 3.48Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 3.42Å; R123-S126 PolarHBondContact O-N 3.15Å; R123-K127 WeakPolarHBondContact O-CG 3.22Å; R123-K127 PolarHBondContact O-N 2.92Å
124N85.6Confident86.2Confident95 Ų9560.7 Ų60.751%0.50833%0.329SS..Hα-helixtrans-64-44.3178.3-164.920.7000111.3D120 V121 S126 K127 T128D120-N124 PolarHBondContact O-N 2.92Å; V121-N124 PolarHBondContact O-N 3.37Å; V121-N124 VanDerWaalsContact O-N 3.14Å; N124-S126 VanDerWaalsContact C-N 3.32Å; N124-S126 PolarHBondContact O-N 2.85Å; N124-K127 PolarHBondContact O-N 3.3Å; N124-T128 WeakPolarHBondContact O-CG2 2.77Å; N124-T128 PolarHBondContact O-N 2.95Å; N124-T128 PolarHBondContact O-OG1 2.94Å
125I87Confident85.7Confident42 Ų4265.6 Ų65.622%0.21535%0.348CS..Hα-helixtrans-56.8-46.2173.1-66165.7000111V121 A122 K127 T128 K129 I529V121-I125 HydrophobicContact CG1-CD1 4.08Å; V121-I125 WeakPolarHBondContact O-CG1 3.5Å; V121-I125 PolarHBondContact O-N 3.49Å; A122-I125 PolarHBondContact O-N 3.39Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.33Å; I125-T128 PolarHBondContact O-N 2.93Å; I125-T128 PolarHBondContact O-OG1 3.37Å; I125-K129 HydrophobicContact CG2-CD 4.28Å; I125-K129 WeakPolarHBondContact O-CG 3.43Å; I125-K129 PolarHBondContact O-N 3.33Å; I125-I529 HydrophobicContact CD1-CD1 4.2Å; I125-I529 HydrophobicContact CD1-CG2 4.12Å; I125-I529 HydrophobicContact CG1-CD1 3.49Å; I125-I529 VanDerWaalsContact CG1-CD1 3.49Å; I125-I529 HydrophobicContact CG1-CG2 4.24Å
126S86Confident85.4Confident75 Ų7561.6 Ų61.652%0.52432%0.324SS..Hα-helixtrans-63.6-40.7179.5177.90000111.9A122 R123 N124 K129 S130A122-S126 WeakPolarHBondContact O-CB 3.15Å; A122-S126 PolarHBondContact O-N 2.7Å; R123-S126 PolarHBondContact O-N 3.15Å; N124-S126 VanDerWaalsContact C-N 3.32Å; N124-S126 PolarHBondContact O-N 2.85Å; S126-K129 PolarHBondContact O-N 3.47Å; S126-S130 WeakPolarHBondContact O-CB 3.21Å; S126-S130 PolarHBondContact O-N 3.48Å
127K85.8Confident85.1Confident122 Ų12264.6 Ų64.653%0.5334%0.343SS..Hα-helixtrans-63.2-44.5175.6-77-179.3174.5-174.50112.4R123 N124 I125 K129 S130 A131R123-K127 WeakPolarHBondContact O-CG 3.22Å; R123-K127 PolarHBondContact O-N 2.92Å; N124-K127 PolarHBondContact O-N 3.3Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.33Å; K127-K129 VanDerWaalsContact C-N 3.33Å; K127-S130 PolarHBondContact O-N 3.23Å; K127-A131 VanDerWaalsContact O-CB 3.26Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.44Å
128T86.8Confident84.6Confident27 Ų2766.7 Ų66.717%0.16635%0.35CS..Hα-helixtrans-67.2-36.4178.960.10000111.8N124 I125 L132 Q527N124-T128 WeakPolarHBondContact O-CG2 2.77Å; N124-T128 PolarHBondContact O-N 2.95Å; N124-T128 PolarHBondContact O-OG1 2.94Å; I125-T128 PolarHBondContact O-N 2.93Å; I125-T128 PolarHBondContact O-OG1 3.37Å; T128-L132 WeakPolarHBondContact O-CB 3.39Å; T128-L132 PolarHBondContact O-N 2.89Å; T128-Q527 PolarHBondContact OG1-NE2 3.31Å
129K85.3Confident84.1Confident111 Ų11167 Ų6748%0.48335%0.352SS..Hα-helixtrans-63.5-49.7172.8-72.8-175.8178.9-1760112.5I125 S126 K127 A131 L132 L133I125-K129 HydrophobicContact CG2-CD 4.28Å; I125-K129 WeakPolarHBondContact O-CG 3.43Å; I125-K129 PolarHBondContact O-N 3.33Å; S126-K129 PolarHBondContact O-N 3.47Å; K127-K129 VanDerWaalsContact C-N 3.33Å; K129-A131 VanDerWaalsContact C-N 3.33Å; K129-A131 PolarHBondContact O-N 2.9Å; K129-L132 PolarHBondContact O-N 3.34Å; K129-L133 WeakPolarHBondContact O-CG 3.5Å; K129-L133 PolarHBondContact O-N 3.43Å
130S84.5Confident83.7Confident40 Ų4064.8 Ų64.828%0.2834%0.342SS..Hα-helixtrans-62.3-41.6177.7157.60000110.9S126 K127 L132 L133 E134S126-S130 WeakPolarHBondContact O-CB 3.21Å; S126-S130 PolarHBondContact O-N 3.48Å; K127-S130 PolarHBondContact O-N 3.23Å; S130-L132 PolarHBondContact O-N 2.82Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-L133 VanDerWaalsContact O-N 3.15Å; S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 WeakPolarHBondContact O-CG 3.39Å; S130-E134 PolarHBondContact O-N 3.01Å; S130-E134 VanDerWaalsContact OG-CD 3.24Å; S130-E134 PolarHBondContact OG-OE1 3.42Å
131A84.8Confident83.1Confident32 Ų3264.2 Ų64.226%0.26434%0.337SS..Hα-helixtrans-62.5-39.7175.100000113.1K127 K129 L133 K135K127-A131 VanDerWaalsContact O-CB 3.26Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.44Å; K129-A131 VanDerWaalsContact C-N 3.33Å; K129-A131 PolarHBondContact O-N 2.9Å; A131-L133 VanDerWaalsContact C-N 3.29Å; A131-L133 PolarHBondContact O-N 2.75Å; A131-K135 HydrophobicContact CB-CD 4.29Å; A131-K135 HydrophobicContact CB-CG 4.41Å; A131-K135 VanDerWaalsContact O-CB 3.23Å; A131-K135 WeakPolarHBondContact O-CB 3.47Å; A131-K135 WeakPolarHBondContact O-CG 3.48Å; A131-K135 PolarHBondContact O-N 3.37Å
132L86.3Confident82.5Confident32 Ų3266.6 Ų66.617%0.16835%0.349CS..Hα-helixtrans-66.4-31.6175.9-175.367000112.3T128 K129 S130 P136 H496 L525T128-L132 WeakPolarHBondContact O-CB 3.39Å; T128-L132 PolarHBondContact O-N 2.89Å; K129-L132 PolarHBondContact O-N 3.34Å; S130-L132 PolarHBondContact O-N 2.82Å; L132-P136 WeakPolarHBondContact O-CD 3.39Å; L132-P136 WeakPolarHBondContact O-CG 3.28Å; L132-H496 HydrophobicContact CD1-CB 4.31Å; L132-H496 HydrophobicContact CG-CB 4.35Å; L132-L525 HydrophobicContact CD1-CB 4.25Å; L132-L525 HydrophobicContact CD2-CB 3.85Å; L132-L525 HydrophobicContact CD2-CD2 4.21Å
133L83.7Confident81.9Confident112 Ų11266 Ų6659%0.58634%0.338SS*.Hα-helixtrans-80-40.8177.5-70.1168.3000112.6K129 S130 A131K129-L133 WeakPolarHBondContact O-CG 3.5Å; K129-L133 PolarHBondContact O-N 3.43Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-L133 VanDerWaalsContact O-N 3.15Å; A131-L133 VanDerWaalsContact C-N 3.29Å; A131-L133 PolarHBondContact O-N 2.75Å
134E81.4Confident81.4Confident52 Ų5263.1 Ų63.124%0.24333%0.332CS..Hα-helixtrans-93.7-46.6-167.7-69.2168.6-152.400113S130 P136 T137 Q138 F337S130-E134 WeakPolarHBondContact O-CB 3.43Å; S130-E134 WeakPolarHBondContact O-CG 3.39Å; S130-E134 PolarHBondContact O-N 3.01Å; S130-E134 VanDerWaalsContact OG-CD 3.24Å; S130-E134 PolarHBondContact OG-OE1 3.42Å; E134-P136 VanDerWaalsContact C-CD 3.42Å; E134-T137 PolarHBondContact O-N 3.1Å; E134-T137 VanDerWaalsContact O-N 3.11Å; E134-T137 PolarHBondContact O-OG1 3.2Å; E134-Q138 PolarHBondContact O-N 2.86Å; E134-F337 HydrophobicContact CG-CE1 4.45Å; E134-F337 VanDerWaalsContact OE2-CE1 3.29Å; E134-F337 WeakPolarHBondContact OE2-CE1 2.98Å
135K79.5Confident80.8Confident119 Ų11960.5 Ų60.552%0.51732%0.318SS..Hα-helixtrans-54.8-44.3-174.3-72.1-172.8171.3-169.60113.6A131 T137 Q138 D139A131-K135 HydrophobicContact CB-CD 4.29Å; A131-K135 HydrophobicContact CB-CG 4.41Å; A131-K135 VanDerWaalsContact O-CB 3.23Å; A131-K135 WeakPolarHBondContact O-CB 3.47Å; A131-K135 WeakPolarHBondContact O-CG 3.48Å; A131-K135 PolarHBondContact O-N 3.37Å; K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.06Å; K135-Q138 PolarHBondContact O-N 2.72Å; K135-Q138 VanDerWaalsContact O-N 3.15Å; K135-D139 WeakPolarHBondContact O-CB 3.37Å; K135-D139 VanDerWaalsContact O-CG 3.29Å; K135-D139 PolarHBondContact O-N 2.88Å
136P81.5Confident80.2Confident0 Ų064.6 Ų64.60%034%0.336CS..Hα-helixtrans-58.2-43.1-179.7-27.439.4000112.1L132 E134 D139 V140 H496 I498 Y523L132-P136 WeakPolarHBondContact O-CD 3.39Å; L132-P136 WeakPolarHBondContact O-CG 3.28Å; E134-P136 VanDerWaalsContact C-CD 3.42Å; P136-D139 PolarHBondContact O-N 2.79Å; P136-V140 VanDerWaalsContact O-CG2 3.25Å; P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.45Å; P136-H496 WeakPolarHBondContact CB-CD2 3.47Å; P136-H496 HydrophobicContact CG-CB 4.33Å; P136-H496 VanDerWaalsContact CG-CD2 3.43Å; P136-H496 WeakPolarHBondContact CG-CD2 3.49Å; P136-I498 HydrophobicContact CB-CD1 3.4Å; P136-I498 HydrophobicContact CB-CG1 4.26Å; P136-Y523 HydrophobicContact CB-CD2 3.45Å; P136-Y523 VanDerWaalsContact CB-CD2 3.45Å; P136-Y523 HydrophobicContact CB-CE2 3.41Å; P136-Y523 VanDerWaalsContact CB-CE2 3.41Å; P136-Y523 HydrophobicContact CB-CG 4.17Å; P136-Y523 HydrophobicContact CG-CD1 4.06Å; P136-Y523 HydrophobicContact CG-CD2 3.34Å; P136-Y523 HydrophobicContact CG-CE1 4.38Å; P136-Y523 HydrophobicContact CG-CE2 3.7Å; P136-Y523 HydrophobicContact CG-CG 3.52Å
137T77.5Confident79.5Confident73 Ų7361.6 Ų61.645%0.44832%0.317SS..Hα-helixtrans-69.4-37.1178.262.80000112.7E134 K135 M141E134-T137 PolarHBondContact O-N 3.1Å; E134-T137 VanDerWaalsContact O-N 3.11Å; E134-T137 PolarHBondContact O-OG1 3.2Å; K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.06Å; T137-M141 WeakPolarHBondContact O-CB 2.88Å; T137-M141 PolarHBondContact O-N 3.11Å
138Q79.6Confident78.8Confident65 Ų6557.2 Ų57.230%0.30430%0.304SS..Hα-helixtrans-63.9-44.4173.7-72.5178.8-2.600111.6E134 K135 M141 N142E134-Q138 PolarHBondContact O-N 2.86Å; K135-Q138 PolarHBondContact O-N 2.72Å; K135-Q138 VanDerWaalsContact O-N 3.15Å; Q138-M141 PolarHBondContact O-N 2.78Å; Q138-N142 WeakPolarHBondContact O-CB 3.45Å; Q138-N142 PolarHBondContact O-N 2.78Å; Q138-N142 PolarHBondContact O-ND2 3.45Å
139D78.2Confident78Confident54 Ų5460 Ų6029%0.28932%0.318SS..Hα-helixtrans-66-43.1-179.9-68-20.8000111K135 P136 M141 N142 D143 Y523K135-D139 WeakPolarHBondContact O-CB 3.37Å; K135-D139 VanDerWaalsContact O-CG 3.29Å; K135-D139 PolarHBondContact O-N 2.88Å; P136-D139 PolarHBondContact O-N 2.79Å; D139-M141 VanDerWaalsContact C-N 3.33Å; D139-M141 PolarHBondContact O-N 2.71Å; D139-N142 PolarHBondContact O-N 3.07Å; D139-D143 WeakPolarHBondContact O-CB 3.38Å; D139-D143 VanDerWaalsContact O-CG 3.27Å; D139-D143 PolarHBondContact O-N 3.04Å; D139-Y523 PolarHBondContact OD2-OH 3.44Å
140V76.6Confident77.3Confident25 Ų2560 Ų6015%0.15232%0.321CS..Hα-helixtrans-61-42.3173.2169.90000111.8P136 D143 L144 I498 I519P136-V140 VanDerWaalsContact O-CG2 3.25Å; P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.45Å; V140-D143 PolarHBondContact O-N 3.21Å; V140-L144 VanDerWaalsContact O-CB 3.31Å; V140-L144 WeakPolarHBondContact O-CB 3.38Å; V140-L144 PolarHBondContact O-N 3.26Å; V140-I498 HydrophobicContact CG2-CD1 3.68Å; V140-I498 HydrophobicContact CG2-CG2 4.05Å; V140-I519 HydrophobicContact CB-CG2 4.13Å; V140-I519 HydrophobicContact CG1-CG2 3.81Å; V140-I519 HydrophobicContact CG2-CG2 3.43Å; V140-I519 VanDerWaalsContact CG2-CG2 3.43Å
141M75Confident76.4Confident67 Ų6758.4 Ų58.433%0.3331%0.309SS..Hα-helixtrans-64.5-44.2177.8-173.461.166.900111.2T137 Q138 D139 D143 L144 L145 Y333T137-M141 WeakPolarHBondContact O-CB 2.88Å; T137-M141 PolarHBondContact O-N 3.11Å; Q138-M141 PolarHBondContact O-N 2.78Å; D139-M141 VanDerWaalsContact C-N 3.33Å; D139-M141 PolarHBondContact O-N 2.71Å; M141-D143 PolarHBondContact O-N 3.07Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-L145 HydrophobicContact CG-CD1 4.01Å; M141-L145 HydrophobicContact CG-CG 4.46Å; M141-L145 WeakPolarHBondContact O-CB 3.43Å; M141-L145 WeakPolarHBondContact O-CG 3.28Å; M141-L145 PolarHBondContact O-N 3.14Å; M141-L145 HydrophobicContact SD-CG 4.48Å; M141-Y333 HydrophobicContact CG-CD1 4.02Å; M141-Y333 HydrophobicContact CG-CD2 4.22Å; M141-Y333 HydrophobicContact CG-CE1 4.01Å; M141-Y333 HydrophobicContact CG-CE2 4.18Å; M141-Y333 HydrophobicContact CG-CG 4.14Å
142N76Confident75.6Confident74 Ų7457.4 Ų57.440%0.39630%0.302SS..Hα-helixtrans-62-43.8178.2-71.2-23.7000111.8Q138 D139 L145 Q146Q138-N142 WeakPolarHBondContact O-CB 3.45Å; Q138-N142 PolarHBondContact O-N 2.78Å; Q138-N142 PolarHBondContact O-ND2 3.45Å; D139-N142 PolarHBondContact O-N 3.07Å; N142-L145 PolarHBondContact O-N 3.39Å; N142-Q146 WeakPolarHBondContact O-CB 3.47Å; N142-Q146 PolarHBondContact O-N 2.9Å
143D75.5Confident74.9Confident42 Ų4262.2 Ų62.223%0.22532%0.318CS..Hα-helixtrans-65.5-41.6178.1-70-14.2000111.3D139 V140 M141 Q146 G147 I519 R521D139-D143 WeakPolarHBondContact O-CB 3.38Å; D139-D143 VanDerWaalsContact O-CG 3.27Å; D139-D143 PolarHBondContact O-N 3.04Å; V140-D143 PolarHBondContact O-N 3.21Å; M141-D143 PolarHBondContact O-N 3.07Å; D143-Q146 PolarHBondContact O-N 2.72Å; D143-G147 PolarHBondContact O-N 3.45Å; D143-I519 HydrophobicContact CB-CD1 4.29Å; D143-R521 IonicContact OD2-CZ 3.21Å; D143-R521 IonicContact OD2-NH1 3.69Å; D143-R521 PolarHBondContact OD2-NH1 3.36Å; D143-R521 IonicContact OD2-NH2 2.73Å; D143-R521 PolarHBondContact OD2-NH2 3.09Å
144L72.4Confident74.2Confident66 Ų6661.7 Ų61.735%0.34631%0.314SS..Hα-helixtrans-64.5-40.9176.5-170123.1000112V140 M141 G147 A148 I331 V516V140-L144 VanDerWaalsContact O-CB 3.31Å; V140-L144 WeakPolarHBondContact O-CB 3.38Å; V140-L144 PolarHBondContact O-N 3.26Å; M141-L144 PolarHBondContact O-N 2.93Å; L144-G147 PolarHBondContact O-N 2.69Å; L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.1Å; L144-I331 HydrophobicContact CD2-CD1 4.34Å; L144-V516 HydrophobicContact CD1-CG2 4.33Å
145L73.3Confident73.6Confident40 Ų4059.2 Ų59.221%0.20930%0.303CS..Hα-helixtrans-63.8-42.7174.8-73.2169.6000111.8M141 N142 A148 D149 I331 Y333M141-L145 HydrophobicContact CG-CD1 4.01Å; M141-L145 HydrophobicContact CG-CG 4.46Å; M141-L145 WeakPolarHBondContact O-CB 3.43Å; M141-L145 WeakPolarHBondContact O-CG 3.28Å; M141-L145 PolarHBondContact O-N 3.14Å; M141-L145 HydrophobicContact SD-CG 4.48Å; N142-L145 PolarHBondContact O-N 3.39Å; L145-A148 PolarHBondContact O-N 3.33Å; L145-D149 WeakPolarHBondContact O-CB 3.19Å; L145-D149 PolarHBondContact O-N 3.08Å; L145-I331 HydrophobicContact CD2-CB 3.47Å; L145-I331 VanDerWaalsContact CD2-CB 3.47Å; L145-I331 HydrophobicContact CD2-CD1 4.18Å; L145-I331 HydrophobicContact CD2-CG1 4.37Å; L145-I331 HydrophobicContact CD2-CG2 3.48Å; L145-I331 VanDerWaalsContact CD2-CG2 3.48Å; L145-Y333 HydrophobicContact CD1-CD1 3.75Å; L145-Y333 HydrophobicContact CD1-CE1 3.36Å
146Q74.7Confident73.2Confident129 Ų12959.6 Ų59.660%0.60331%0.307SS*.Hα-helixtrans-64.4-41.8177.7-171.2177.419.800111.7N142 D143 D149 M150N142-Q146 WeakPolarHBondContact O-CB 3.47Å; N142-Q146 PolarHBondContact O-N 2.9Å; D143-Q146 PolarHBondContact O-N 2.72Å; Q146-D149 PolarHBondContact O-N 2.9Å; Q146-M150 PolarHBondContact O-N 3.27Å
147G72.2Confident72.8Confident12 Ų1268.4 Ų68.412%0.12434%0.34CS..Hα-helixtrans-66.4-41.1175.400000113.1D143 L144 M150 S151D143-G147 PolarHBondContact O-N 3.45Å; L144-G147 PolarHBondContact O-N 2.69Å; G147-M150 PolarHBondContact O-N 2.92Å; G147-S151 WeakPolarHBondContact O-CB 3.36Å; G147-S151 PolarHBondContact O-N 3.45Å
148A69.3Low72.4Confident30 Ų3068.4 Ų68.425%0.24834%0.336CS..Hα-helixtrans-62.9-41.5175.200000112L144 L145 S151 G152 I331L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.1Å; L145-A148 PolarHBondContact O-N 3.33Å; A148-S151 WeakPolarHBondContact O-CB 3.06Å; A148-S151 PolarHBondContact O-N 2.94Å; A148-G152 PolarHBondContact O-N 3.3Å; A148-I331 HydrophobicContact CB-CD1 3.76Å
149D70.3Confident72Confident86 Ų8667.2 Ų67.246%0.4633%0.334SS..Hα-helixtrans-65.8-42.7175.7177.661.9000112.2L145 Q146 S151 G152 R153L145-D149 WeakPolarHBondContact O-CB 3.19Å; L145-D149 PolarHBondContact O-N 3.08Å; Q146-D149 PolarHBondContact O-N 2.9Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.34Å; D149-G152 PolarHBondContact O-N 3.25Å; D149-R153 WeakPolarHBondContact O-CG 3.24Å; D149-R153 PolarHBondContact O-N 3.45Å; D149-R153 IonicContact OD2-CZ 3.65Å; D149-R153 VanDerWaalsContact OD2-CZ 3.24Å; D149-R153 IonicContact OD2-NE 2.67Å; D149-R153 PolarHBondContact OD2-NE 3.45Å; D149-R153 IonicContact OD2-NH2 3.27Å; D149-R153 PolarHBondContact OD2-NH2 3.06Å
150M71.3Confident71.8Confident111 Ų11169.7 Ų69.755%0.54735%0.347SS..Hα-helixtrans-60.6-43.6174.7-175.9179.7-77.500111.2Q146 G147 R153 I154Q146-M150 PolarHBondContact O-N 3.27Å; G147-M150 PolarHBondContact O-N 2.92Å; M150-R153 PolarHBondContact O-N 2.96Å; M150-I154 HydrophobicContact CG-CD1 4.17Å; M150-I154 WeakPolarHBondContact O-CG1 3.43Å; M150-I154 PolarHBondContact O-N 3.4Å
151S66.2Low71.7Confident6 Ų673.6 Ų73.64%0.04237%0.366CS..Hα-helixtrans-59.6-46.8175.1-174.10000112.5G147 A148 D149 R153 I154 G155 F327 M511G147-S151 WeakPolarHBondContact O-CB 3.36Å; G147-S151 PolarHBondContact O-N 3.45Å; A148-S151 WeakPolarHBondContact O-CB 3.06Å; A148-S151 PolarHBondContact O-N 2.94Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.34Å; S151-R153 VanDerWaalsContact C-N 3.29Å; S151-R153 PolarHBondContact O-N 2.84Å; S151-I154 PolarHBondContact O-N 2.96Å; S151-G155 PolarHBondContact O-N 2.85Å; S151-F327 WeakPolarHBondContact OG-CD1 3.33Å; S151-F327 WeakPolarHBondContact OG-CE1 3.21Å; S151-F327 WeakPolarHBondContact OG-CZ 3.39Å; S151-M511 WeakPolarHBondContact OG-CE 3.33Å
152G68.1Low71.6Confident10 Ų1071.8 Ų71.810%0.10336%0.359CS..Hα-helixtrans-54.3-45.2174.800000112.2A148 D149 Q156A148-G152 PolarHBondContact O-N 3.3Å; D149-G152 PolarHBondContact O-N 3.25Å; G152-Q156 VanDerWaalsContact O-CG 3.3Å; G152-Q156 WeakPolarHBondContact O-CG 3.28Å; G152-Q156 PolarHBondContact O-N 3.32Å; G152-Q156 VanDerWaalsContact O-N 3.14Å
153R70.3Confident71.3Confident134 Ų13472.5 Ų72.551%0.50636%0.363SS..Hα-helixtrans-66.6-36.8178.2-73.8-172-88.4159.3-7113.5D149 M150 S151D149-R153 WeakPolarHBondContact O-CG 3.24Å; D149-R153 PolarHBondContact O-N 3.45Å; D149-R153 IonicContact OD2-CZ 3.65Å; D149-R153 VanDerWaalsContact OD2-CZ 3.24Å; D149-R153 IonicContact OD2-NE 2.67Å; D149-R153 PolarHBondContact OD2-NE 3.45Å; D149-R153 IonicContact OD2-NH2 3.27Å; D149-R153 PolarHBondContact OD2-NH2 3.06Å; M150-R153 PolarHBondContact O-N 2.96Å; S151-R153 VanDerWaalsContact C-N 3.29Å; S151-R153 PolarHBondContact O-N 2.84Å
154I69.9Low71.5Confident100 Ų10078.7 Ų78.751%0.51338%0.383SS..Hα-helixtrans-70.6-48177.1-67.4167.3000110.5M150 S151 Q156 R157 M158M150-I154 HydrophobicContact CG-CD1 4.17Å; M150-I154 WeakPolarHBondContact O-CG1 3.43Å; M150-I154 PolarHBondContact O-N 3.4Å; S151-I154 PolarHBondContact O-N 2.96Å; I154-Q156 VanDerWaalsContact C-N 3.26Å; I154-Q156 PolarHBondContact O-N 3.37Å; I154-R157 PolarHBondContact O-N 3.28Å; I154-M158 PolarHBondContact O-N 3.29Å
155G68Low71.4Confident1 Ų180.8 Ų80.81%0.0139%0.394CS..Hα-helixtrans-57.3-39.4179.400000112.6S151 R157 A324S151-G155 PolarHBondContact O-N 2.85Å; G155-R157 VanDerWaalsContact C-N 3.31Å; G155-R157 PolarHBondContact O-N 2.99Å; G155-A324 WeakPolarHBondContact O-CB 3.19Å
156Q70.5Confident71.2Confident127 Ų12781.7 Ų81.759%0.59340%0.397SS*.Hα-helixtrans-68.5-24.1177-73.2178.17.800114.3G152 I154G152-Q156 VanDerWaalsContact O-CG 3.3Å; G152-Q156 WeakPolarHBondContact O-CG 3.28Å; G152-Q156 PolarHBondContact O-N 3.32Å; G152-Q156 VanDerWaalsContact O-N 3.14Å; I154-Q156 VanDerWaalsContact C-N 3.26Å; I154-Q156 PolarHBondContact O-N 3.37Å
157R74.1Confident71Confident185 Ų18582.5 Ų82.570%0.69840%0.399SS*.Hα-helixtrans-92.6-18.3-179-76.4-176.4178170.4-0.1114.2I154 G155 D160 L161I154-R157 PolarHBondContact O-N 3.28Å; G155-R157 VanDerWaalsContact C-N 3.31Å; G155-R157 PolarHBondContact O-N 2.99Å; R157-D160 WeakPolarHBondContact O-CB 3.39Å; R157-D160 PolarHBondContact O-N 2.77Å; R157-L161 PolarHBondContact O-N 3.39Å
158M69.1Low71.1Confident73 Ų7386.6 Ų86.636%0.3642%0.415SS..Hα-helixtrans-61.2-40.7-173.7-161.960.1-169.200114.9I154 D160 L161 V162 T320I154-M158 PolarHBondContact O-N 3.29Å; M158-D160 PolarHBondContact O-N 3.07Å; M158-L161 WeakPolarHBondContact O-CB 3.45Å; M158-L161 PolarHBondContact O-N 2.97Å; M158-L161 HydrophobicContact SD-CD1 4.06Å; M158-V162 PolarHBondContact O-N 2.87Å; M158-T320 HydrophobicContact CG-CG2 4.39Å
159P70.7Confident71.1Confident40 Ų4087.7 Ų87.726%0.2642%0.417SS..Hα-helixtrans-60.6-33.3177.7-23.834.4000113.4V162 N163 A324P159-V162 PolarHBondContact O-N 2.81Å; P159-N163 VanDerWaalsContact O-CG 3.31Å; P159-N163 PolarHBondContact O-N 2.85Å; P159-N163 PolarHBondContact O-ND2 3.42Å; P159-A324 HydrophobicContact CG-CB 4.15Å
160D74.5Confident70.9Confident106 Ų10685.7 Ų85.757%0.56741%0.408SS*.Hα-helixtrans-69.6-33.7179.6-166.940.4000112.1R157 M158 R164R157-D160 WeakPolarHBondContact O-CB 3.39Å; R157-D160 PolarHBondContact O-N 2.77Å; M158-D160 PolarHBondContact O-N 3.07Å; D160-R164 PolarHBondContact O-N 2.64Å
161L74.9Confident71Confident106 Ų10687.3 Ų87.356%0.55541%0.411SS*.Hα-helixtrans-66.7-41.4174.6-81.2150.9000112.2R157 M158 R164 L165R157-L161 PolarHBondContact O-N 3.39Å; M158-L161 WeakPolarHBondContact O-CB 3.45Å; M158-L161 PolarHBondContact O-N 2.97Å; M158-L161 HydrophobicContact SD-CD1 4.06Å; L161-R164 PolarHBondContact O-N 3.46Å; L161-L165 PolarHBondContact O-N 2.87Å
162V72.2Confident71.1Confident30 Ų3093.2 Ų93.218%0.18244%0.442CS..Hα-helixtrans-66.4-47.3180176.80000111.1M158 P159 R164 L165 E166 T320M158-V162 PolarHBondContact O-N 2.87Å; P159-V162 PolarHBondContact O-N 2.81Å; V162-R164 PolarHBondContact O-N 2.88Å; V162-L165 WeakPolarHBondContact O-CB 3.5Å; V162-L165 PolarHBondContact O-N 2.88Å; V162-E166 PolarHBondContact O-N 3.49Å; V162-E166 VanDerWaalsContact O-N 3.13Å; V162-T320 HydrophobicContact CG2-CG2 3.72Å
163N70.7Confident71Confident88 Ų8893.7 Ų93.747%0.47145%0.445SS..Hα-helixtrans-57.5-36.9177.8-69.8-22.5000112.4P159 F167P159-N163 VanDerWaalsContact O-CG 3.31Å; P159-N163 PolarHBondContact O-N 2.85Å; P159-N163 PolarHBondContact O-ND2 3.42Å; N163-F167 PolarHBondContact O-N 2.77Å
164R78.4Confident70.8Confident172 Ų17293.9 Ų93.965%0.64945%0.449SS*.Hα-helixtrans-66.7-36.5176.5-174.7177.3-68.1-93.5-1.5112.5D160 L161 V162 E168D160-R164 PolarHBondContact O-N 2.64Å; L161-R164 PolarHBondContact O-N 3.46Å; V162-R164 PolarHBondContact O-N 2.88Å; R164-E168 PolarHBondContact O-N 3.49Å
165L71.4Confident70.7Confident111 Ų11190.5 Ų90.558%0.58144%0.439SS*.Hα-helixtrans-68.8-43.7178.7-175.765.2000111.6L161 V162 F167 E168 L169L161-L165 PolarHBondContact O-N 2.87Å; V162-L165 WeakPolarHBondContact O-CB 3.5Å; V162-L165 PolarHBondContact O-N 2.88Å; L165-F167 VanDerWaalsContact C-N 3.27Å; L165-F167 PolarHBondContact O-N 2.67Å; L165-E168 PolarHBondContact O-N 2.86Å; L165-L169 HydrophobicContact CG-CD1 4.21Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.68Å; L165-L169 VanDerWaalsContact O-N 3.13Å
166E69.2Low70.8Confident59 Ų5993.3 Ų93.328%0.27647%0.468SS..Hα-helixtrans-59.5-38.6177.6-71.1-173.6166.200112.7V162 L169 T170V162-E166 PolarHBondContact O-N 3.49Å; V162-E166 VanDerWaalsContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 2.99Å; E166-T170 PolarHBondContact O-N 3.23Å; E166-T170 PolarHBondContact O-OG1 3.17Å
167F70.1Confident70.9Confident145 Ų14591.8 Ų91.864%0.63646%0.461SS*.Hα-helixtrans-61.2-45177.9-177.9-97.9000112.2N163 L165 K171N163-F167 PolarHBondContact O-N 2.77Å; L165-F167 VanDerWaalsContact C-N 3.27Å; L165-F167 PolarHBondContact O-N 2.67Å; F167-K171 PolarHBondContact O-N 2.5Å
168E73.4Confident71Confident99 Ų9985 Ų8546%0.46344%0.438SS..Hα-helixtrans-68.5-37.3178.7-71.6-64.216700112.5R164 L165 K171 L172R164-E168 PolarHBondContact O-N 3.49Å; L165-E168 PolarHBondContact O-N 2.86Å; E168-K171 WeakPolarHBondContact O-CB 3.07Å; E168-K171 PolarHBondContact O-N 3.37Å; E168-L172 PolarHBondContact O-N 3.44Å
169L69.2Low71.4Confident53 Ų5388.1 Ų88.128%0.27745%0.452SS..Hα-helixtrans-66.4-40.6177.1-71.1171.1000112.3L165 E166 K171 L172 A173 M229L165-L169 HydrophobicContact CG-CD1 4.21Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.68Å; L165-L169 VanDerWaalsContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 2.99Å; L169-K171 PolarHBondContact O-N 2.9Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-A173 PolarHBondContact O-N 2.88Å; L169-M229 HydrophobicContact CB-CE 4.36Å; L169-M229 HydrophobicContact CB-CG 4.13Å; L169-M229 HydrophobicContact CB-SD 4.44Å; L169-M229 HydrophobicContact CD1-CE 3.78Å; L169-M229 HydrophobicContact CD1-SD 4.49Å
170T67.6Low71.8Confident44 Ų4491.8 Ų91.827%0.2747%0.466SS..Hα-helixtrans-61.7-34.7177.9-52.10000111.7E166 A173E166-T170 PolarHBondContact O-N 3.23Å; E166-T170 PolarHBondContact O-OG1 3.17Å; T170-A173 PolarHBondContact O-N 3.43Å
171K71.7Confident72.2Confident144 Ų14487.1 Ų87.163%0.62644%0.44SS*.Hα-helixtrans-65.5-38.3177.2-173.7-178.8175.1-173.50112.5F167 E168 L169 A173F167-K171 PolarHBondContact O-N 2.5Å; E168-K171 WeakPolarHBondContact O-CB 3.07Å; E168-K171 PolarHBondContact O-N 3.37Å; L169-K171 PolarHBondContact O-N 2.9Å; K171-A173 VanDerWaalsContact C-N 3.3Å; K171-A173 PolarHBondContact O-N 2.92Å
172L68.3Low72.6Confident131 Ų13185.6 Ų85.669%0.68643%0.43SS*.Hα-helixtrans-67.9-29.3178.3-71.1166.7000112.9E168 L169 K174E168-L172 PolarHBondContact O-N 3.44Å; L169-L172 PolarHBondContact O-N 2.92Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.32Å
173A65.9Low73.2Confident19 Ų1990.3 Ų90.316%0.15745%0.451CS..Hα-helixtrans-68.8-25.1-178.100000113.7L169 T170 K171 G175 E232 K236L169-A173 PolarHBondContact O-N 2.88Å; T170-A173 PolarHBondContact O-N 3.43Å; K171-A173 VanDerWaalsContact C-N 3.3Å; K171-A173 PolarHBondContact O-N 2.92Å; A173-G175 PolarHBondContact O-N 3.05Å; A173-E232 HydrophobicContact CB-CB 3.56Å; A173-K236 VanDerWaalsContact O-CD 3.29Å; A173-K236 WeakPolarHBondContact O-CD 3.25Å
174K66.3Low73.8Confident139 Ų13989.8 Ų89.860%0.60444%0.442SS*.THydrogen-bonded Turntrans-90.814.2-174.6-70-171.2173.5-174.10116.7L172 E232L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.32Å; K174-E232 VanDerWaalsContact CE-CD 3.44Å; K174-E232 WeakPolarHBondContact CE-OE1 3.31Å; K174-E232 IonicContact NZ-OE1 2.78Å
175G68Low74.1Confident29 Ų2982.5 Ų82.530%0.29942%0.415SS..  trans-60.2157.2-171.900000116.5A173 E177A173-G175 PolarHBondContact O-N 3.05Å; G175-E177 VanDerWaalsContact C-N 3.27Å; G175-E177 PolarHBondContact O-N 2.74Å; G175-E177 VanDerWaalsContact O-N 3.1Å
176G69.6Low74.8Confident60 Ų6083.4 Ų83.462%0.61942%0.416SS*.THydrogen-bonded Turntrans-67.4-3.7-169.800000118.4L178G176-L178 PolarHBondContact O-N 2.87Å
177E73.4Confident75.6Confident95 Ų9583.6 Ų83.644%0.44442%0.416SS..Hα-helixtrans-62-21.3172.9-63.8170.1162.300112.5G175 E179 M181 K236 R240G175-E177 VanDerWaalsContact C-N 3.27Å; G175-E177 PolarHBondContact O-N 2.74Å; G175-E177 VanDerWaalsContact O-N 3.1Å; E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.68Å; E177-M181 HydrophobicContact CB-CE 4.33Å; E177-M181 WeakPolarHBondContact O-CE 3.45Å; E177-M181 WeakPolarHBondContact O-CG 3.43Å; E177-M181 PolarHBondContact O-N 3.26Å; E177-K236 WeakPolarHBondContact OE2-CE 3.42Å; E177-K236 IonicContact OE2-NZ 3.77Å; E177-K236 PolarHBondContact OE2-NZ 2.86Å; E177-R240 IonicContact OE1-NH2 3.8Å; E177-R240 IonicContact OE2-CZ 2.65Å; E177-R240 IonicContact OE2-NE 2.85Å; E177-R240 IonicContact OE2-NH2 3.81Å; E177-R240 PolarHBondContact OE2-NH2 3.17Å
178L75.7Confident76.3Confident43 Ų4376.7 Ų76.723%0.22539%0.386CS..Hα-helixtrans-62.5-39.5-176.2-152.374.8000112.5G176 E180 M181 E182 Y239G176-L178 PolarHBondContact O-N 2.87Å; L178-E180 PolarHBondContact O-N 2.81Å; L178-M181 HydrophobicContact CD1-CE 3.89Å; L178-M181 PolarHBondContact O-N 3.49Å; L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.47Å; L178-Y239 HydrophobicContact CD1-CD2 3.38Å; L178-Y239 HydrophobicContact CD1-CE2 4.03Å; L178-Y239 HydrophobicContact CD1-CG 3.87Å; L178-Y239 HydrophobicContact CD2-CE2 4.37Å; L178-Y239 HydrophobicContact CG-CD2 4.1Å; L178-Y239 HydrophobicContact CG-CE2 4.29Å
179E77.3Confident76.9Confident138 Ų13872.5 Ų72.565%0.64537%0.367SS*.Hα-helixtrans-64.8-40.4-176.9-67.3-179.3177.400111.9E177 E182 Q183E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.68Å; E179-E182 PolarHBondContact O-N 2.66Å; E179-Q183 WeakPolarHBondContact O-CG 2.97Å; E179-Q183 PolarHBondContact O-N 2.97Å
180E80.1Confident77.7Confident117 Ų11775.1 Ų75.155%0.54738%0.378SS..Hα-helixtrans-67.8-37.5177.9-66.7-175.9-177.300112.4L178 Q183 R184L178-E180 PolarHBondContact O-N 2.81Å; E180-Q183 PolarHBondContact O-N 3.12Å; E180-R184 PolarHBondContact O-N 2.88Å
181M83Confident78.4Confident8 Ų874 Ų744%0.03937%0.369CS..Hα-helixtrans-68.1-37.9177.8-64.9-172.3-72.800111.4E177 L178 R184 Q185 R240 D243E177-M181 HydrophobicContact CB-CE 4.33Å; E177-M181 WeakPolarHBondContact O-CE 3.45Å; E177-M181 WeakPolarHBondContact O-CG 3.43Å; E177-M181 PolarHBondContact O-N 3.26Å; L178-M181 HydrophobicContact CD1-CE 3.89Å; L178-M181 PolarHBondContact O-N 3.49Å; M181-R184 PolarHBondContact O-N 3.44Å; M181-Q185 WeakPolarHBondContact O-CB 3.28Å; M181-Q185 PolarHBondContact O-N 3.29Å; M181-R240 HydrophobicContact CE-CG 4.12Å; M181-R240 HydrophobicContact SD-CB 4.39Å; M181-R240 HydrophobicContact SD-CG 3.73Å; M181-D243 HydrophobicContact CB-CB 4.19Å; M181-D243 HydrophobicContact CG-CB 3.84Å; M181-D243 HydrophobicContact SD-CB 3.87Å
182E82.7Confident78.9Confident73 Ų7367.6 Ų67.634%0.34134%0.342SS..Hα-helixtrans-62.9-42.1175.2-74.9-178.3162.100111.6L178 E179 R184 Q185 E186 Y239L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.47Å; E179-E182 PolarHBondContact O-N 2.66Å; E182-R184 PolarHBondContact O-N 3.01Å; E182-Q185 WeakPolarHBondContact O-CB 3.45Å; E182-Q185 PolarHBondContact O-N 2.92Å; E182-E186 WeakPolarHBondContact O-CG 3.41Å; E182-E186 PolarHBondContact O-N 3.37Å; E182-Y239 HydrophobicContact CG-CD1 4.36Å; E182-Y239 HydrophobicContact CG-CE1 3.68Å; E182-Y239 VanDerWaalsContact OE1-CZ 3.28Å; E182-Y239 PolarHBondContact OE1-OH 3.41Å
183Q84.2Confident79.7Confident130 Ų13065.1 Ų65.161%0.60732%0.323SS*.Hα-helixtrans-61.4-44.2176.3-70.5174.910.700112.6E179 E180 Q185 E186 F187E179-Q183 WeakPolarHBondContact O-CG 2.97Å; E179-Q183 PolarHBondContact O-N 2.97Å; E180-Q183 PolarHBondContact O-N 3.12Å; Q183-Q185 VanDerWaalsContact C-N 3.33Å; Q183-Q185 PolarHBondContact O-N 3.29Å; Q183-E186 PolarHBondContact O-N 3.43Å; Q183-F187 PolarHBondContact O-N 2.92Å
184R84.1Confident80.5Confident77 Ų7767.9 Ų67.929%0.29133%0.333SS..Hα-helixtrans-65.4-37.7176-76.6-168.1-71.8-92.62.8112.1E180 M181 E182 F187 V188 D243 N246E180-R184 PolarHBondContact O-N 2.88Å; M181-R184 PolarHBondContact O-N 3.44Å; E182-R184 PolarHBondContact O-N 3.01Å; R184-F187 PolarHBondContact O-N 3.42Å; R184-V188 WeakPolarHBondContact O-CG2 3.32Å; R184-V188 PolarHBondContact O-N 2.82Å; R184-V188 VanDerWaalsContact O-N 3.12Å; R184-D243 IonicContact CZ-OD1 3.81Å; R184-D243 IonicContact CZ-OD2 2.86Å; R184-D243 IonicContact NE-OD1 2.89Å; R184-D243 PolarHBondContact NE-OD1 2.92Å; R184-D243 IonicContact NE-OD2 2.86Å; R184-D243 VanDerWaalsContact NH2-CG 3.35Å; R184-D243 IonicContact NH2-OD1 3.5Å; R184-D243 PolarHBondContact NH2-OD1 3.29Å; R184-D243 IonicContact NH2-OD2 3.67Å; R184-D243 PolarHBondContact NH2-OD2 2.88Å; R184-N246 HydrophobicContact CB-CB 4.49Å
185Q85.8Confident81.1Confident18 Ų1864 Ų648%0.08432%0.317CS..Hα-helixtrans-61.4-43.6174.6175.8172-15.300111.8M181 E182 Q183 F187 V188 E189 N246 R291M181-Q185 WeakPolarHBondContact O-CB 3.28Å; M181-Q185 PolarHBondContact O-N 3.29Å; E182-Q185 WeakPolarHBondContact O-CB 3.45Å; E182-Q185 PolarHBondContact O-N 2.92Å; Q183-Q185 VanDerWaalsContact C-N 3.33Å; Q183-Q185 PolarHBondContact O-N 3.29Å; Q185-F187 PolarHBondContact O-N 3.13Å; Q185-V188 PolarHBondContact O-N 2.96Å; Q185-E189 HydrophobicContact CG-CG 4.27Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.36Å; Q185-E189 PolarHBondContact NE2-OE1 3.44Å; Q185-E189 WeakPolarHBondContact O-CB 3.1Å; Q185-E189 WeakPolarHBondContact O-CG 3.29Å; Q185-E189 PolarHBondContact O-N 3.07Å; Q185-N246 WeakPolarHBondContact CA-ND2 3.27Å; Q185-N246 WeakPolarHBondContact CB-ND2 3.44Å; Q185-R291 VanDerWaalsContact CD-NH2 3.31Å
186E86Confident81.8Confident130 Ų13063.6 Ų63.661%0.60731%0.306SS*.Hα-helixtrans-60-43.3177.2-73.8-177.9168.300112.2E182 Q183 V188 E189 Q190E182-E186 WeakPolarHBondContact O-CG 3.41Å; E182-E186 PolarHBondContact O-N 3.37Å; Q183-E186 PolarHBondContact O-N 3.43Å; E186-V188 PolarHBondContact O-N 3.34Å; E186-E189 PolarHBondContact O-N 3.26Å; E186-Q190 WeakPolarHBondContact O-CB 3.28Å; E186-Q190 PolarHBondContact O-N 3.46Å
187F86Confident82.5Confident63 Ų6365 Ų6528%0.27630%0.295SS..Hα-helixtrans-59.5-47.3175.4176.1-89.3000112.1Q183 R184 Q185 Q190 Q191 Y250 K253Q183-F187 PolarHBondContact O-N 2.92Å; R184-F187 PolarHBondContact O-N 3.42Å; Q185-F187 PolarHBondContact O-N 3.13Å; F187-Q190 WeakPolarHBondContact O-CB 3.05Å; F187-Q190 PolarHBondContact O-N 3.45Å; F187-Q191 HydrophobicContact CD1-CG 4.23Å; F187-Q191 HydrophobicContact CE1-CG 3.86Å; F187-Q191 HydrophobicContact CZ-CG 4.15Å; F187-Q191 WeakPolarHBondContact O-CG 3.19Å; F187-Q191 PolarHBondContact O-N 3.44Å; F187-Y250 AromaticContact CD1-CD2 3.48Å; F187-Y250 HydrophobicContact CD1-CD2 3.48Å; F187-Y250 VanDerWaalsContact CD1-CD2 3.48Å; F187-Y250 HydrophobicContact CD1-CE2 4.21Å; F187-Y250 HydrophobicContact CD1-CG 4.45Å; F187-Y250 HydrophobicContact CD2-CD2 4.43Å; F187-Y250 HydrophobicContact CD2-CE2 4.37Å; F187-Y250 AromaticContact CE1-CD2 3.48Å; F187-Y250 HydrophobicContact CE1-CD2 3.48Å; F187-Y250 VanDerWaalsContact CE1-CD2 3.48Å; F187-Y250 HydrophobicContact CE1-CE2 4.12Å; F187-Y250 HydrophobicContact CE1-CG 4.32Å; F187-Y250 HydrophobicContact CE2-CD2 4.43Å; F187-Y250 HydrophobicContact CE2-CE2 4.29Å; F187-Y250 AromaticContact CG-CD2 3.96Å; F187-Y250 HydrophobicContact CG-CD2 3.96Å; F187-Y250 HydrophobicContact CG-CE2 4.3Å; F187-Y250 AromaticContact CZ-CD2 3.97Å; F187-Y250 HydrophobicContact CZ-CD2 3.97Å; F187-Y250 HydrophobicContact CZ-CE2 4.15Å; F187-K253 HydrophobicContact CE1-CD 4.19Å; F187-K253 HydrophobicContact CZ-CD 3.94Å
188V84.7Confident82.8Confident1 Ų167.8 Ų67.81%0.00631%0.306CS..Hα-helixtrans-70.1-36.6-178.7175.20000111.4R184 Q185 E186 Q190 Q191 E192 N246 V249 L288R184-V188 WeakPolarHBondContact O-CG2 3.32Å; R184-V188 PolarHBondContact O-N 2.82Å; R184-V188 VanDerWaalsContact O-N 3.12Å; Q185-V188 PolarHBondContact O-N 2.96Å; E186-V188 PolarHBondContact O-N 3.34Å; V188-Q190 VanDerWaalsContact C-N 3.29Å; V188-Q190 PolarHBondContact O-N 3.32Å; V188-Q191 PolarHBondContact O-N 3.22Å; V188-E192 PolarHBondContact O-N 3.02Å; V188-N246 HydrophobicContact CB-CB 4.34Å; V188-N246 WeakPolarHBondContact CG1-OD1 3.36Å; V188-N246 HydrophobicContact CG2-CB 3.83Å; V188-N246 WeakPolarHBondContact CG2-O 3.48Å; V188-V249 HydrophobicContact CG1-CB 4.32Å; V188-V249 HydrophobicContact CG1-CG1 4.09Å; V188-V249 HydrophobicContact CG2-CB 4.21Å; V188-V249 HydrophobicContact CG2-CG1 4.19Å; V188-L288 HydrophobicContact CG1-CD2 3.96Å
189E85Confident82.8Confident10 Ų1070.9 Ų70.95%0.04732%0.323CS..Hα-helixtrans-61.3-37.7171-77.5-178.3-17000111.4Q185 E186 R193 K215Q185-E189 HydrophobicContact CG-CG 4.27Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.36Å; Q185-E189 PolarHBondContact NE2-OE1 3.44Å; Q185-E189 WeakPolarHBondContact O-CB 3.1Å; Q185-E189 WeakPolarHBondContact O-CG 3.29Å; Q185-E189 PolarHBondContact O-N 3.07Å; E186-E189 PolarHBondContact O-N 3.26Å; E189-R193 VanDerWaalsContact O-CG 3.26Å; E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 2.94Å; E189-R193 VanDerWaalsContact O-N 3.08Å; E189-K215 VanDerWaalsContact OE1-CE 3.26Å; E189-K215 WeakPolarHBondContact OE1-CE 3.46Å; E189-K215 IonicContact OE1-NZ 3.67Å; E189-K215 PolarHBondContact OE1-NZ 2.74Å; E189-K215 WeakPolarHBondContact OE2-CE 3.49Å; E189-K215 IonicContact OE2-NZ 3.76Å; E189-K215 PolarHBondContact OE2-NZ 2.86Å
190Q86.3Confident82.8Confident109 Ų10970.6 Ų70.651%0.50932%0.319SS..Hα-helixtrans-66-41.5174.6-173.7175.6-10.700111.6E186 F187 V188 R193 E194E186-Q190 WeakPolarHBondContact O-CB 3.28Å; E186-Q190 PolarHBondContact O-N 3.46Å; F187-Q190 WeakPolarHBondContact O-CB 3.05Å; F187-Q190 PolarHBondContact O-N 3.45Å; V188-Q190 VanDerWaalsContact C-N 3.29Å; V188-Q190 PolarHBondContact O-N 3.32Å; Q190-R193 WeakPolarHBondContact O-CB 3.49Å; Q190-R193 PolarHBondContact O-N 3.08Å; Q190-E194 PolarHBondContact O-N 3.33Å
191Q82.2Confident82.8Confident20 Ų2073 Ų739%0.09333%0.33CS..Hα-helixtrans-65.9-39.9175.5-71.2-58.1-45.400113F187 V188 R193 E194 H195 K253 F284F187-Q191 HydrophobicContact CD1-CG 4.23Å; F187-Q191 HydrophobicContact CE1-CG 3.86Å; F187-Q191 HydrophobicContact CZ-CG 4.15Å; F187-Q191 WeakPolarHBondContact O-CG 3.19Å; F187-Q191 PolarHBondContact O-N 3.44Å; V188-Q191 PolarHBondContact O-N 3.22Å; Q191-R193 VanDerWaalsContact C-N 3.3Å; Q191-R193 PolarHBondContact O-N 3.22Å; Q191-E194 PolarHBondContact NE2-OE2 3.24Å; Q191-E194 VanDerWaalsContact NE2-OE2 3.14Å; Q191-E194 PolarHBondContact O-N 3.02Å; Q191-H195 WeakPolarHBondContact O-CB 3.42Å; Q191-H195 PolarHBondContact O-N 3.47Å; Q191-K253 VanDerWaalsContact CD-CD 3.43Å; Q191-K253 VanDerWaalsContact CD-NZ 3.29Å; Q191-K253 HydrophobicContact CG-CD 3.77Å; Q191-K253 VanDerWaalsContact NE2-CE 3.3Å; Q191-F284 HydrophobicContact CB-CE1 4.3Å
192E83Confident82.9Confident10 Ų1074.1 Ų74.15%0.04734%0.335CS..Hα-helixtrans-59.1-42.9172.5-178.8180179.800110.8V188 H195 R196 R214 L288V188-E192 PolarHBondContact O-N 3.02Å; E192-H195 PolarHBondContact O-N 2.88Å; E192-R196 HydrophobicContact CG-CG 4.29Å; E192-R196 WeakPolarHBondContact O-CB 3.03Å; E192-R196 VanDerWaalsContact O-CG 3.31Å; E192-R196 WeakPolarHBondContact O-CG 2.95Å; E192-R196 PolarHBondContact O-N 2.94Å; E192-R214 IonicContact OE1-CZ 2.77Å; E192-R214 IonicContact OE1-NH1 2.96Å; E192-R214 PolarHBondContact OE1-NH1 3.4Å; E192-R214 IonicContact OE1-NH2 3.45Å; E192-R214 IonicContact OE2-NH1 3.53Å; E192-R214 PolarHBondContact OE2-NH1 2.92Å; E192-L288 HydrophobicContact CB-CD1 3.9Å; E192-L288 HydrophobicContact CG-CD1 3.75Å
193R84.3Confident83.1Confident79 Ų7975.1 Ų75.130%0.29835%0.347SS..Hα-helixtrans-60.3-47176-69.6171.9-148.4-137.615.7111.4E189 Q190 Q191 K197 I207 N208 I211E189-R193 VanDerWaalsContact O-CG 3.26Å; E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 2.94Å; E189-R193 VanDerWaalsContact O-N 3.08Å; Q190-R193 WeakPolarHBondContact O-CB 3.49Å; Q190-R193 PolarHBondContact O-N 3.08Å; Q191-R193 VanDerWaalsContact C-N 3.3Å; Q191-R193 PolarHBondContact O-N 3.22Å; R193-K197 WeakPolarHBondContact O-CB 3.14Å; R193-K197 VanDerWaalsContact O-CG 3.24Å; R193-K197 WeakPolarHBondContact O-CG 3.33Å; R193-K197 PolarHBondContact O-N 3.4Å; R193-I207 HydrophobicContact CB-CG2 4.41Å; R193-I207 HydrophobicContact CG-CG2 3.75Å; R193-N208 PolarHBondContact NH1-OD1 2.63Å; R193-I211 HydrophobicContact CG-CD1 4.05Å
194E82Confident83.1Confident76 Ų7672.6 Ų72.636%0.35534%0.337SS..Hα-helixtrans-62.4-44.1179.4-72.8177.8178.800112Q190 Q191 K197 K198Q190-E194 PolarHBondContact O-N 3.33Å; Q191-E194 PolarHBondContact NE2-OE2 3.24Å; Q191-E194 VanDerWaalsContact NE2-OE2 3.14Å; Q191-E194 PolarHBondContact O-N 3.02Å; E194-K197 PolarHBondContact O-N 3.26Å; E194-K198 WeakPolarHBondContact O-CG 3.47Å; E194-K198 PolarHBondContact O-N 2.98Å
195H79.8Confident83.3Confident59 Ų5975.9 Ų75.927%0.27336%0.356SS..Hα-helixtrans-66.3-44.3178.6-174.4-47.4000112.3Q191 E192 K197 K198 D199 F284Q191-H195 WeakPolarHBondContact O-CB 3.42Å; Q191-H195 PolarHBondContact O-N 3.47Å; E192-H195 PolarHBondContact O-N 2.88Å; H195-K197 VanDerWaalsContact C-N 3.3Å; H195-K197 PolarHBondContact O-N 3Å; H195-K198 PolarHBondContact O-N 3.06Å; H195-D199 IonicContact CE1-OD2 3.06Å; H195-D199 PolarHBondContact CE1-OD2 3.17Å; H195-D199 IonicContact ND1-OD2 2.74Å; H195-D199 PolarHBondContact ND1-OD2 2.67Å; H195-D199 IonicContact NE2-OD2 3.43Å; H195-D199 PolarHBondContact NE2-OD2 3.38Å; H195-D199 WeakPolarHBondContact O-CB 3.47Å; H195-D199 PolarHBondContact O-N 3.16Å; H195-F284 AromaticContact CD2-CG 3.98Å
196R82.9Confident83.4Confident20 Ų2079.6 Ų79.68%0.07537%0.372CS..Hα-helixtrans-66.5-32.7178.7-70.4-177.272.6-175.72.8112.2E192 K200 H201 E202 I207 D210E192-R196 HydrophobicContact CG-CG 4.29Å; E192-R196 WeakPolarHBondContact O-CB 3.03Å; E192-R196 VanDerWaalsContact O-CG 3.31Å; E192-R196 WeakPolarHBondContact O-CG 2.95Å; E192-R196 PolarHBondContact O-N 2.94Å; R196-K200 CarbonylContact O-C 3.6Å; R196-K200 WeakPolarHBondContact O-CB 3.21Å; R196-K200 PolarHBondContact O-N 3.03Å; R196-H201 PolarHBondContact O-N 2.78Å; R196-E202 IonicContact CZ-OE2 2.67Å; R196-E202 IonicContact NE-OE2 2.77Å; R196-E202 PolarHBondContact NE-OE2 3.36Å; R196-E202 IonicContact NH2-OE1 3.33Å; R196-E202 PolarHBondContact NH2-OE1 2.93Å; R196-E202 VanDerWaalsContact NH2-OE1 3.1Å; R196-E202 IonicContact NH2-OE2 3.1Å; R196-E202 PolarHBondContact NH2-OE2 3.25Å; R196-E202 PolarHBondContact O-N 3.19Å; R196-I207 HydrophobicContact CB-CD1 3.82Å; R196-I207 HydrophobicContact CB-CG1 4.15Å; R196-D210 IonicContact CZ-OD2 2.74Å; R196-D210 IonicContact NH1-OD2 3.14Å; R196-D210 PolarHBondContact NH1-OD2 2.66Å; R196-D210 IonicContact NH2-OD2 2.76Å; R196-D210 PolarHBondContact NH2-OD2 2.86Å
197K83.6Confident83.3Confident88 Ų8873.4 Ų73.438%0.38334%0.343SS..Hα-helixtrans-66-47.9172.2-75.4178.6-170.6-162.10112.5R193 E194 H195 D204 I207R193-K197 WeakPolarHBondContact O-CB 3.14Å; R193-K197 VanDerWaalsContact O-CG 3.24Å; R193-K197 WeakPolarHBondContact O-CG 3.33Å; R193-K197 PolarHBondContact O-N 3.4Å; E194-K197 PolarHBondContact O-N 3.26Å; H195-K197 VanDerWaalsContact C-N 3.3Å; H195-K197 PolarHBondContact O-N 3Å; K197-D204 WeakPolarHBondContact CE-OD1 3.12Å; K197-D204 WeakPolarHBondContact CE-OD2 2.92Å; K197-D204 IonicContact NZ-OD1 2.64Å; K197-D204 PolarHBondContact NZ-OD1 3.27Å; K197-D204 IonicContact NZ-OD2 3.8Å; K197-D204 PolarHBondContact NZ-OD2 2.94Å; K197-I207 HydrophobicContact CG-CD1 3.85Å
198K80Confident83.3Confident154 Ų15473.4 Ų73.467%0.6735%0.346SS*.Hα-helixtrans-72.2-48.5-175.5-74.3-177.8178.9-179.70112.5E194 H195E194-K198 WeakPolarHBondContact O-CG 3.47Å; E194-K198 PolarHBondContact O-N 2.98Å; H195-K198 PolarHBondContact O-N 3.06Å
199D76Confident83.4Confident109 Ų10979.5 Ų79.558%0.58337%0.374SS*.Hα-helixtrans-98.4-32.2-167.1-680.3000113.5H195H195-D199 IonicContact CE1-OD2 3.06Å; H195-D199 PolarHBondContact CE1-OD2 3.17Å; H195-D199 IonicContact ND1-OD2 2.74Å; H195-D199 PolarHBondContact ND1-OD2 2.67Å; H195-D199 IonicContact NE2-OD2 3.43Å; H195-D199 PolarHBondContact NE2-OD2 3.38Å; H195-D199 WeakPolarHBondContact O-CB 3.47Å; H195-D199 PolarHBondContact O-N 3.16Å
200K77.6Confident83.4Confident131 Ų13181.5 Ų81.557%0.5739%0.385SS*.SBendtrans-101.7-3.3-178.5-64.4-171.9178.5-179.70113.6R196 E202R196-K200 CarbonylContact O-C 3.6Å; R196-K200 WeakPolarHBondContact O-CB 3.21Å; R196-K200 PolarHBondContact O-N 3.03Å; K200-E202 HydrophobicContact CB-CG 3.98Å; K200-E202 PolarHBondContact O-N 3.24Å
201H79.6Confident83.3Confident167 Ų16776.8 Ų76.877%0.77336%0.363SS*.  trans5038.1-177.3-61.8-59.6000113.7R196R196-H201 PolarHBondContact O-N 2.78Å
202E84.3Confident83.4Confident32 Ų3281.4 Ų81.415%0.1539%0.385CS..  trans-88.5143.8-179.6-69.1-179128.800112.3R196 K200 K206 I207R196-E202 IonicContact CZ-OE2 2.67Å; R196-E202 IonicContact NE-OE2 2.77Å; R196-E202 PolarHBondContact NE-OE2 3.36Å; R196-E202 IonicContact NH2-OE1 3.33Å; R196-E202 PolarHBondContact NH2-OE1 2.93Å; R196-E202 VanDerWaalsContact NH2-OE1 3.1Å; R196-E202 IonicContact NH2-OE2 3.1Å; R196-E202 PolarHBondContact NH2-OE2 3.25Å; R196-E202 PolarHBondContact O-N 3.19Å; K200-E202 HydrophobicContact CB-CG 3.98Å; K200-E202 PolarHBondContact O-N 3.24Å; E202-K206 HydrophobicContact CG-CD 4.33Å; E202-K206 WeakPolarHBondContact OE1-CE 3.42Å; E202-K206 IonicContact OE1-NZ 2.75Å; E202-K206 PolarHBondContact OE1-NZ 3.29Å; E202-I207 HydrophobicContact CB-CD1 4.26Å; E202-I207 HydrophobicContact CB-CG1 4.08Å
203T87.2Confident83.6Confident95 Ų9588.4 Ų88.458%0.58342%0.415SS*.  trans-70.9146.7176.80.80000111.7Q205 K206 I207T203-Q205 PolarHBondContact O-N 3.18Å; T203-Q205 VanDerWaalsContact O-N 3.15Å; T203-K206 PolarHBondContact O-N 3.4Å; T203-I207 PolarHBondContact O-N 2.76Å; T203-I207 VanDerWaalsContact O-N 3.17Å
204D84.9Confident83.4Confident77 Ų7788.9 Ų88.941%0.41242%0.417SS..Hα-helixtrans-50.6-39.4175.1-95.7-49.1000113.6K197 I207 N208K197-D204 WeakPolarHBondContact CE-OD1 3.12Å; K197-D204 WeakPolarHBondContact CE-OD2 2.92Å; K197-D204 IonicContact NZ-OD1 2.64Å; K197-D204 PolarHBondContact NZ-OD1 3.27Å; K197-D204 IonicContact NZ-OD2 3.8Å; K197-D204 PolarHBondContact NZ-OD2 2.94Å; D204-I207 PolarHBondContact O-N 3.31Å; D204-N208 WeakPolarHBondContact O-CB 3.43Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.19Å; D204-N208 PolarHBondContact O-ND2 2.81Å
205Q87.7Confident83.4Confident145 Ų14589.6 Ų89.668%0.67842%0.419SS*.Hα-helixtrans-59.4-48.8176.9-74.2177.1-31.300111.8T203 I207 N208 E209T203-Q205 PolarHBondContact O-N 3.18Å; T203-Q205 VanDerWaalsContact O-N 3.15Å; Q205-I207 VanDerWaalsContact C-N 3.34Å; Q205-I207 PolarHBondContact O-N 3.46Å; Q205-N208 PolarHBondContact O-N 3.26Å; Q205-E209 WeakPolarHBondContact O-CB 3.47Å; Q205-E209 WeakPolarHBondContact O-CG 3.49Å; Q205-E209 PolarHBondContact O-N 2.99Å
206K87.8Confident83.7Confident96 Ų9691.6 Ų91.642%0.41743%0.432SS..Hα-helixtrans-64-40.5-178.5-168.4-174179.4-160.10111.7E202 T203 D210E202-K206 HydrophobicContact CG-CD 4.33Å; E202-K206 WeakPolarHBondContact OE1-CE 3.42Å; E202-K206 IonicContact OE1-NZ 2.75Å; E202-K206 PolarHBondContact OE1-NZ 3.29Å; T203-K206 PolarHBondContact O-N 3.4Å; K206-D210 PolarHBondContact O-N 3.46Å; K206-D210 VanDerWaalsContact O-N 3.09Å
207I83.8Confident83.6Confident0 Ų093.4 Ų93.40%045%0.447CS..Hα-helixtrans-66.3-44.7179.1-59.7167000110.5R193 R196 K197 E202 T203 D204 Q205 D210 I211R193-I207 HydrophobicContact CB-CG2 4.41Å; R193-I207 HydrophobicContact CG-CG2 3.75Å; R196-I207 HydrophobicContact CB-CD1 3.82Å; R196-I207 HydrophobicContact CB-CG1 4.15Å; K197-I207 HydrophobicContact CG-CD1 3.85Å; E202-I207 HydrophobicContact CB-CD1 4.26Å; E202-I207 HydrophobicContact CB-CG1 4.08Å; T203-I207 PolarHBondContact O-N 2.76Å; T203-I207 VanDerWaalsContact O-N 3.17Å; D204-I207 PolarHBondContact O-N 3.31Å; Q205-I207 VanDerWaalsContact C-N 3.34Å; Q205-I207 PolarHBondContact O-N 3.46Å; I207-D210 PolarHBondContact O-N 2.82Å; I207-I211 HydrophobicContact CG2-CD1 3.97Å; I207-I211 WeakPolarHBondContact O-CG1 3.5Å; I207-I211 PolarHBondContact O-N 3.47Å; I207-I211 VanDerWaalsContact O-N 3.07Å
208N85.7Confident83.5Confident63 Ų6390.4 Ų90.434%0.33743%0.434SS..Hα-helixtrans-65.8-42.5178.8-72-19.9000112R193 D204 Q205 D210 I211 E212R193-N208 PolarHBondContact NH1-OD1 2.63Å; D204-N208 WeakPolarHBondContact O-CB 3.43Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.19Å; D204-N208 PolarHBondContact O-ND2 2.81Å; Q205-N208 PolarHBondContact O-N 3.26Å; N208-D210 VanDerWaalsContact C-N 3.32Å; N208-D210 PolarHBondContact O-N 2.87Å; N208-I211 PolarHBondContact O-N 3.23Å; N208-E212 VanDerWaalsContact O-CB 3.3Å; N208-E212 WeakPolarHBondContact O-CB 3.13Å; N208-E212 PolarHBondContact O-N 2.74Å
209E88.1Confident83.5Confident130 Ų13086.9 Ų86.961%0.60743%0.425SS*.Hα-helixtrans-58.2-43.2174.9-77.3175.2-175.800111.8Q205 K213Q205-E209 WeakPolarHBondContact O-CB 3.47Å; Q205-E209 WeakPolarHBondContact O-CG 3.49Å; Q205-E209 PolarHBondContact O-N 2.99Å; E209-K213 WeakPolarHBondContact O-CB 3.43Å; E209-K213 PolarHBondContact O-N 3.32Å
210D85Confident83.7Confident52 Ų5283.3 Ų83.328%0.27841%0.414SS..Hα-helixtrans-64-45176.9-78-19.5000112.2R196 K206 I207 N208 K213 R214R196-D210 IonicContact CZ-OD2 2.74Å; R196-D210 IonicContact NH1-OD2 3.14Å; R196-D210 PolarHBondContact NH1-OD2 2.66Å; R196-D210 IonicContact NH2-OD2 2.76Å; R196-D210 PolarHBondContact NH2-OD2 2.86Å; K206-D210 PolarHBondContact O-N 3.46Å; K206-D210 VanDerWaalsContact O-N 3.09Å; I207-D210 PolarHBondContact O-N 2.82Å; N208-D210 VanDerWaalsContact C-N 3.32Å; N208-D210 PolarHBondContact O-N 2.87Å; D210-K213 PolarHBondContact O-N 3.05Å; D210-R214 VanDerWaalsContact O-CG 3.31Å; D210-R214 WeakPolarHBondContact O-CG 3.5Å; D210-R214 PolarHBondContact O-N 3.2Å; D210-R214 VanDerWaalsContact O-N 3.11Å
211I83.1Confident83.7Confident9 Ų978.1 Ų78.15%0.04639%0.391CS..Hα-helixtrans-64.5-44.1178.5-68170.7000110.6R193 I207 N208 R214 K215R193-I211 HydrophobicContact CG-CD1 4.05Å; I207-I211 HydrophobicContact CG2-CD1 3.97Å; I207-I211 WeakPolarHBondContact O-CG1 3.5Å; I207-I211 PolarHBondContact O-N 3.47Å; I207-I211 VanDerWaalsContact O-N 3.07Å; N208-I211 PolarHBondContact O-N 3.23Å; I211-R214 WeakPolarHBondContact O-CB 3.45Å; I211-R214 PolarHBondContact O-N 3.37Å; I211-K215 HydrophobicContact CG2-CD 4.46Å; I211-K215 PolarHBondContact O-N 3.04Å
212E85.5Confident83.6Confident118 Ų11870.8 Ų70.855%0.55136%0.357SS*.Hα-helixtrans-66.6-40-180-169.6172.8-176.200111.6N208 R214 K215 N216N208-E212 VanDerWaalsContact O-CB 3.3Å; N208-E212 WeakPolarHBondContact O-CB 3.13Å; N208-E212 PolarHBondContact O-N 2.74Å; E212-R214 VanDerWaalsContact C-N 3.3Å; E212-R214 PolarHBondContact O-N 2.96Å; E212-K215 PolarHBondContact O-N 3.34Å; E212-N216 WeakPolarHBondContact O-CB 3.48Å; E212-N216 PolarHBondContact O-N 3.24Å; E212-N216 PolarHBondContact O-ND2 3.23Å
213K86.7Confident83.3Confident157 Ų15773.5 Ų73.568%0.68337%0.373SS*.Hα-helixtrans-59.3-40.3173.1-172.1177.5179.7-177.90111.9E209 D210 S217E209-K213 WeakPolarHBondContact O-CB 3.43Å; E209-K213 PolarHBondContact O-N 3.32Å; D210-K213 PolarHBondContact O-N 3.05Å; K213-S217 VanDerWaalsContact O-CB 3.28Å; K213-S217 WeakPolarHBondContact O-CB 3.25Å; K213-S217 PolarHBondContact O-N 3.2Å
214R80.8Confident82.7Confident89 Ų8976.6 Ų76.634%0.33638%0.378SS..Hα-helixtrans-64.7-46.3174.6-69.3168.5-176.8163.7-2.9111.8E192 D210 I211 E212 S217 R218 F292E192-R214 IonicContact OE1-CZ 2.77Å; E192-R214 IonicContact OE1-NH1 2.96Å; E192-R214 PolarHBondContact OE1-NH1 3.4Å; E192-R214 IonicContact OE1-NH2 3.45Å; E192-R214 IonicContact OE2-NH1 3.53Å; E192-R214 PolarHBondContact OE2-NH1 2.92Å; D210-R214 VanDerWaalsContact O-CG 3.31Å; D210-R214 WeakPolarHBondContact O-CG 3.5Å; D210-R214 PolarHBondContact O-N 3.2Å; D210-R214 VanDerWaalsContact O-N 3.11Å; I211-R214 WeakPolarHBondContact O-CB 3.45Å; I211-R214 PolarHBondContact O-N 3.37Å; E212-R214 VanDerWaalsContact C-N 3.3Å; E212-R214 PolarHBondContact O-N 2.96Å; R214-S217 PolarHBondContact O-N 3.12Å; R214-R218 PolarHBondContact O-N 3.19Å; R214-F292 VanDerWaalsContact CZ-CE1 3.4Å; R214-F292 VanDerWaalsContact CZ-CE2 3.5Å; R214-F292 VanDerWaalsContact NH1-CE1 3.35Å; R214-F292 VanDerWaalsContact NH2-CE2 3.32Å
215K81.9Confident82Confident91 Ų9174 Ų7440%0.39636%0.364SS..Hα-helixtrans-60.9-47.1177.3-73.2-176.1-179.1177.60111.7E189 I211 E212 S217 R218 V219E189-K215 VanDerWaalsContact OE1-CE 3.26Å; E189-K215 WeakPolarHBondContact OE1-CE 3.46Å; E189-K215 IonicContact OE1-NZ 3.67Å; E189-K215 PolarHBondContact OE1-NZ 2.74Å; E189-K215 WeakPolarHBondContact OE2-CE 3.49Å; E189-K215 IonicContact OE2-NZ 3.76Å; E189-K215 PolarHBondContact OE2-NZ 2.86Å; I211-K215 HydrophobicContact CG2-CD 4.46Å; I211-K215 PolarHBondContact O-N 3.04Å; E212-K215 PolarHBondContact O-N 3.34Å; K215-S217 PolarHBondContact O-N 3.48Å; K215-R218 PolarHBondContact O-N 3.4Å; K215-V219 WeakPolarHBondContact O-CG2 3.18Å; K215-V219 PolarHBondContact O-N 2.97Å
216N84.8Confident80.8Confident101 Ų10179 Ų7954%0.5438%0.377SS..Hα-helixtrans-65-39.6178.6-73.7-21.5000112.6E212 V219 G220E212-N216 WeakPolarHBondContact O-CB 3.48Å; E212-N216 PolarHBondContact O-N 3.24Å; E212-N216 PolarHBondContact O-ND2 3.23Å; N216-V219 PolarHBondContact O-N 3.31Å; N216-G220 PolarHBondContact O-N 3.46Å
217S81.9Confident79.8Confident58 Ų5876.5 Ų76.541%0.40637%0.367SS..Hα-helixtrans-60.4-46.1173.5176.50000111.5K213 R214 K215 G220 R221K213-S217 VanDerWaalsContact O-CB 3.28Å; K213-S217 WeakPolarHBondContact O-CB 3.25Å; K213-S217 PolarHBondContact O-N 3.2Å; R214-S217 PolarHBondContact O-N 3.12Å; K215-S217 PolarHBondContact O-N 3.48Å; S217-G220 PolarHBondContact O-N 3.47Å; S217-R221 WeakPolarHBondContact O-CG 3.35Å; S217-R221 PolarHBondContact O-N 2.92Å
218R80.9Confident79Confident25 Ų2578.9 Ų78.99%0.09439%0.391CS..Hα-helixtrans-60.7-48.6176.3-178.7175.2171.3-170.4-13.9112.6R214 K215 G220 R221 I222 N235 T238 D242R214-R218 PolarHBondContact O-N 3.19Å; K215-R218 PolarHBondContact O-N 3.4Å; R218-G220 VanDerWaalsContact C-N 3.33Å; R218-G220 PolarHBondContact O-N 3.21Å; R218-R221 PolarHBondContact O-N 2.98Å; R218-I222 HydrophobicContact CG-CD1 3.89Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 2.86Å; R218-N235 PolarHBondContact NH2-O 3.28Å; R218-N235 PolarHBondContact NH2-OD1 3.34Å; R218-T238 VanDerWaalsContact NE-CG2 3.33Å; R218-D242 IonicContact CZ-OD2 2.72Å; R218-D242 IonicContact NH1-OD2 2.64Å; R218-D242 PolarHBondContact NH1-OD2 2.84Å
219V81.1Confident78.1Confident79 Ų7977 Ų7748%0.47938%0.38SS..Hα-helixtrans-62-41.6177.8172.70000111.2K215 N216 R221 I222 N223K215-V219 WeakPolarHBondContact O-CG2 3.18Å; K215-V219 PolarHBondContact O-N 2.97Å; N216-V219 PolarHBondContact O-N 3.31Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.44Å; V219-I222 PolarHBondContact O-N 3.25Å; V219-N223 WeakPolarHBondContact O-CB 3.15Å; V219-N223 VanDerWaalsContact O-CG 3.28Å; V219-N223 PolarHBondContact O-N 2.93Å; V219-N223 PolarHBondContact O-ND2 3.48Å
220G80.4Confident77.4Confident35 Ų3571.2 Ų71.236%0.36135%0.354SS..Hα-helixtrans-59.9-40.4175.500000112.9N216 S217 R218 K224N216-G220 PolarHBondContact O-N 3.46Å; S217-G220 PolarHBondContact O-N 3.47Å; R218-G220 VanDerWaalsContact C-N 3.33Å; R218-G220 PolarHBondContact O-N 3.21Å; G220-K224 WeakPolarHBondContact O-CG 3.27Å; G220-K224 PolarHBondContact O-N 3.36Å
221R76.7Confident76.9Confident21 Ų2172.2 Ų72.28%0.07936%0.356CS..Hα-helixtrans-67.4-48.6175.9-70.4-177.5-59146.7-12.7112.2S217 R218 V219 N223 K224 G296 S297 E303S217-R221 WeakPolarHBondContact O-CG 3.35Å; S217-R221 PolarHBondContact O-N 2.92Å; R218-R221 PolarHBondContact O-N 2.98Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.44Å; R221-N223 PolarHBondContact O-N 2.81Å; R221-K224 WeakPolarHBondContact O-CB 3.3Å; R221-K224 PolarHBondContact O-N 2.84Å; R221-G296 PolarHBondContact NH2-O 2.84Å; R221-S297 PolarHBondContact NH1-O 3.35Å; R221-E303 WeakPolarHBondContact CD-OE1 3.2Å; R221-E303 IonicContact CZ-OE1 2.65Å; R221-E303 IonicContact NE-OE1 3.63Å; R221-E303 IonicContact NH1-OE1 2.96Å; R221-E303 PolarHBondContact NH1-OE1 3.43Å
222I77.7Confident76.6Confident13 Ų1374 Ų747%0.06736%0.364CS..Hα-helixtrans-59.9-37.2178.1-68166.4000111.1R218 V219 K224 L225 K231 V234 N235R218-I222 HydrophobicContact CG-CD1 3.89Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 2.86Å; V219-I222 PolarHBondContact O-N 3.25Å; I222-K224 VanDerWaalsContact C-N 3.31Å; I222-K224 PolarHBondContact O-N 3.48Å; I222-L225 PolarHBondContact O-N 3.17Å; I222-K231 HydrophobicContact CG2-CD 4.43Å; I222-K231 HydrophobicContact CG2-CG 3.54Å; I222-V234 HydrophobicContact CG1-CG1 4.23Å; I222-N235 HydrophobicContact CD1-CB 3.94Å; I222-N235 WeakPolarHBondContact CD1-OD1 3.46Å; I222-N235 HydrophobicContact CG2-CB 4.23Å
223N77.7Confident76.2Confident90 Ų9071.9 Ų71.948%0.48135%0.353SS..Hα-helixtrans-72.7-16.2177.4-75.1-25.2000114.6V219 R221 L225 K231V219-N223 WeakPolarHBondContact O-CB 3.15Å; V219-N223 VanDerWaalsContact O-CG 3.28Å; V219-N223 PolarHBondContact O-N 2.93Å; V219-N223 PolarHBondContact O-ND2 3.48Å; R221-N223 PolarHBondContact O-N 2.81Å; N223-L225 VanDerWaalsContact C-N 3.29Å; N223-K231 WeakPolarHBondContact OD1-CE 3.37Å; N223-K231 PolarHBondContact OD1-NZ 3.05Å
224K74.7Confident75.9Confident160 Ų16064.5 Ų64.570%0.69632%0.321SS*.Hα-helixtrans-73.8-21.7173.8-75.3174.7-177.9176.60112.6G220 R221 I222 R226G220-K224 WeakPolarHBondContact O-CG 3.27Å; G220-K224 PolarHBondContact O-N 3.36Å; R221-K224 WeakPolarHBondContact O-CB 3.3Å; R221-K224 PolarHBondContact O-N 2.84Å; I222-K224 VanDerWaalsContact C-N 3.31Å; I222-K224 PolarHBondContact O-N 3.48Å; K224-R226 PolarHBondContact O-N 2.73Å
225L70.2Confident75.8Confident23 Ų2362 Ų6212%0.1231%0.314CS..  trans-71.4123.8179.8-66.2154.5000109.7I222 N223 E227 L230 V234I222-L225 PolarHBondContact O-N 3.17Å; N223-L225 VanDerWaalsContact C-N 3.29Å; L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.33Å; L225-L230 HydrophobicContact CB-CD2 4.42Å; L225-L230 HydrophobicContact CD2-CD2 3.59Å; L225-L230 HydrophobicContact CD2-CG 4.16Å; L225-V234 HydrophobicContact CD1-CB 3.57Å; L225-V234 HydrophobicContact CD1-CG1 3.8Å; L225-V234 HydrophobicContact CD1-CG2 3.48Å; L225-V234 VanDerWaalsContact CD1-CG2 3.48Å; L225-V234 HydrophobicContact CD2-CG2 4.5Å
226R62.4Low75.8Confident249 Ų24959.2 Ų59.294%0.9430%0.302SS*.  trans-76.3-10.1-166.3-164.8173.3173.5176.1-3.9114.2K224K224-R226 PolarHBondContact O-N 2.73Å
227E66.7Low75.7Confident44 Ų4455.5 Ų55.521%0.20628%0.284CS..  trans-121.5135.8-170.7-70.6173.9-175.500111.5L225 M229 L230 K231 L313L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.33Å; E227-M229 PolarHBondContact O-N 2.86Å; E227-L230 HydrophobicContact CB-CB 3.76Å; E227-L230 PolarHBondContact O-N 2.82Å; E227-K231 VanDerWaalsContact O-CB 3.23Å; E227-K231 WeakPolarHBondContact O-CB 3.24Å; E227-K231 PolarHBondContact O-N 2.93Å; E227-L313 WeakPolarHBondContact OE2-CD2 3.29Å
228G66.6Low75.8Confident50 Ų5053 Ų5352%0.51527%0.266SS..Hα-helixtrans-59.4-43.5-179.700000112.8E232G228-E232 VanDerWaalsContact O-CG 3.29Å; G228-E232 WeakPolarHBondContact O-CG 3.21Å; G228-E232 PolarHBondContact O-N 2.97Å
229M68.3Low75.9Confident22 Ų2253.5 Ų53.511%0.10827%0.269CS..Hα-helixtrans-64.5-44.7177.2-171.2-127.5-60.600111.6L169 E227 E232 F233 Y309 L313L169-M229 HydrophobicContact CB-CE 4.36Å; L169-M229 HydrophobicContact CB-CG 4.13Å; L169-M229 HydrophobicContact CB-SD 4.44Å; L169-M229 HydrophobicContact CD1-CE 3.78Å; L169-M229 HydrophobicContact CD1-SD 4.49Å; E227-M229 PolarHBondContact O-N 2.86Å; M229-E232 PolarHBondContact O-N 3.03Å; M229-F233 WeakPolarHBondContact O-CB 3.45Å; M229-F233 PolarHBondContact O-N 3.27Å; M229-Y309 HydrophobicContact CE-CE1 3.88Å; M229-Y309 HydrophobicContact SD-CD1 4.48Å; M229-Y309 HydrophobicContact SD-CE1 3.61Å; M229-L313 HydrophobicContact CE-CD1 3.69Å; M229-L313 HydrophobicContact CE-CD2 3.77Å; M229-L313 HydrophobicContact CE-CG 4.4Å
230L72.2Confident76.2Confident9 Ų955.4 Ų55.45%0.04727%0.267CS..Hα-helixtrans-66.7-40-178.3-159.472.8000112.3L225 E227 F233 V234 A306 Y309L225-L230 HydrophobicContact CB-CD2 4.42Å; L225-L230 HydrophobicContact CD2-CD2 3.59Å; L225-L230 HydrophobicContact CD2-CG 4.16Å; E227-L230 HydrophobicContact CB-CB 3.76Å; E227-L230 PolarHBondContact O-N 2.82Å; L230-F233 PolarHBondContact O-N 3.48Å; L230-V234 WeakPolarHBondContact O-CG2 3.44Å; L230-V234 PolarHBondContact O-N 3.15Å; L230-A306 HydrophobicContact CD1-CB 3.83Å; L230-A306 WeakPolarHBondContact CD1-O 3.43Å; L230-A306 HydrophobicContact CD2-CB 4.37Å; L230-A306 HydrophobicContact CG-CB 4Å; L230-Y309 HydrophobicContact CD1-CD1 4.08Å
231K75.7Confident76.5Confident73 Ų7355.2 Ų55.232%0.31726%0.26SS..Hα-helixtrans-58.8-48.8175.3-176.9178.6-175.2176.70111.9I222 N223 E227 N235I222-K231 HydrophobicContact CG2-CD 4.43Å; I222-K231 HydrophobicContact CG2-CG 3.54Å; N223-K231 WeakPolarHBondContact OD1-CE 3.37Å; N223-K231 PolarHBondContact OD1-NZ 3.05Å; E227-K231 VanDerWaalsContact O-CB 3.23Å; E227-K231 WeakPolarHBondContact O-CB 3.24Å; E227-K231 PolarHBondContact O-N 2.93Å; K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 2.94Å
232E75.6Confident76.9Confident47 Ų4754.7 Ų54.722%0.2226%0.259CS..Hα-helixtrans-69.3-38.2179.6-63.4-69.217900111.4A173 K174 G228 M229 N235 K236A173-E232 HydrophobicContact CB-CB 3.56Å; K174-E232 VanDerWaalsContact CE-CD 3.44Å; K174-E232 WeakPolarHBondContact CE-OE1 3.31Å; K174-E232 IonicContact NZ-OE1 2.78Å; G228-E232 VanDerWaalsContact O-CG 3.29Å; G228-E232 WeakPolarHBondContact O-CG 3.21Å; G228-E232 PolarHBondContact O-N 2.97Å; M229-E232 PolarHBondContact O-N 3.03Å; E232-N235 PolarHBondContact O-N 3.37Å; E232-K236 WeakPolarHBondContact O-CB 3.43Å; E232-K236 PolarHBondContact O-N 3.36Å
233F76.8Confident77.4Confident74 Ų7455.4 Ų55.433%0.32526%0.263SS..Hα-helixtrans-60.7-49.6174.9173.6-92.7000112.4M229 L230 K236 S237 Y305 A306M229-F233 WeakPolarHBondContact O-CB 3.45Å; M229-F233 PolarHBondContact O-N 3.27Å; L230-F233 PolarHBondContact O-N 3.48Å; F233-K236 PolarHBondContact O-N 2.84Å; F233-S237 VanDerWaalsContact O-CB 3.29Å; F233-S237 WeakPolarHBondContact O-CB 3.42Å; F233-S237 PolarHBondContact O-N 3.35Å; F233-S237 PolarHBondContact O-OG 3.09Å; F233-Y305 AromaticContact CE1-CD1 3.6Å; F233-Y305 HydrophobicContact CE1-CD1 3.6Å; F233-Y305 AromaticContact CE1-CE1 3.98Å; F233-Y305 HydrophobicContact CE1-CE1 3.98Å; F233-Y305 HydrophobicContact CE2-CE1 4.39Å; F233-Y305 AromaticContact CZ-CD1 3.61Å; F233-Y305 HydrophobicContact CZ-CD1 3.61Å; F233-Y305 AromaticContact CZ-CE1 3.59Å; F233-Y305 HydrophobicContact CZ-CE1 3.59Å; F233-A306 HydrophobicContact CD1-CB 4.49Å
234V80Confident77.8Confident1 Ų157.3 Ų57.31%0.00627%0.271CS..Hα-helixtrans-63.5-44.9178.9171.60000110.3I222 L225 L230 K236 S237 T238 I302 A306I222-V234 HydrophobicContact CG1-CG1 4.23Å; L225-V234 HydrophobicContact CD1-CB 3.57Å; L225-V234 HydrophobicContact CD1-CG1 3.8Å; L225-V234 HydrophobicContact CD1-CG2 3.48Å; L225-V234 VanDerWaalsContact CD1-CG2 3.48Å; L225-V234 HydrophobicContact CD2-CG2 4.5Å; L230-V234 WeakPolarHBondContact O-CG2 3.44Å; L230-V234 PolarHBondContact O-N 3.15Å; V234-K236 PolarHBondContact O-N 3.11Å; V234-S237 PolarHBondContact O-N 3.13Å; V234-T238 PolarHBondContact O-N 2.96Å; V234-T238 PolarHBondContact O-OG1 3.09Å; V234-I302 HydrophobicContact CG1-CG2 4.27Å; V234-I302 HydrophobicContact CG2-CG2 4.46Å; V234-A306 HydrophobicContact CG2-CB 3.21Å
235N80Confident78.3Confident37 Ų3750 Ų5020%0.19824%0.241CC..Hα-helixtrans-56.2-51.1178.8-171.727.8000112.1R218 I222 K231 E232 S237 T238 Y239R218-N235 PolarHBondContact NH2-O 3.28Å; R218-N235 PolarHBondContact NH2-OD1 3.34Å; I222-N235 HydrophobicContact CD1-CB 3.94Å; I222-N235 WeakPolarHBondContact CD1-OD1 3.46Å; I222-N235 HydrophobicContact CG2-CB 4.23Å; K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 2.94Å; E232-N235 PolarHBondContact O-N 3.37Å; N235-S237 PolarHBondContact O-N 3.45Å; N235-T238 PolarHBondContact O-N 3.39Å; N235-Y239 VanDerWaalsContact O-CD2 3.27Å; N235-Y239 WeakPolarHBondContact O-CD2 3.36Å; N235-Y239 PolarHBondContact O-N 2.94Å; N235-Y239 WeakPolarHBondContact OD1-CE2 3.39Å
236K81.9Confident79.1Confident32 Ų3249 Ų4914%0.13924%0.235CC..Hα-helixtrans-63.5-39.7178.6-178.7167.2178.6171.40112.3A173 E177 E232 F233 V234 Y239 R240A173-K236 VanDerWaalsContact O-CD 3.29Å; A173-K236 WeakPolarHBondContact O-CD 3.25Å; E177-K236 WeakPolarHBondContact OE2-CE 3.42Å; E177-K236 IonicContact OE2-NZ 3.77Å; E177-K236 PolarHBondContact OE2-NZ 2.86Å; E232-K236 WeakPolarHBondContact O-CB 3.43Å; E232-K236 PolarHBondContact O-N 3.36Å; F233-K236 PolarHBondContact O-N 2.84Å; V234-K236 PolarHBondContact O-N 3.11Å; K236-Y239 PolarHBondContact O-N 3.36Å; K236-R240 PolarHBondContact O-N 3.02Å
237S81.7Confident80.2Confident24 Ų2437.9 Ų37.917%0.16820%0.198CC..Hα-helixtrans-67.9-39.2-179.7-61.30000112.1F233 V234 N235 Y239 R240 C241 I302F233-S237 VanDerWaalsContact O-CB 3.29Å; F233-S237 WeakPolarHBondContact O-CB 3.42Å; F233-S237 PolarHBondContact O-N 3.35Å; F233-S237 PolarHBondContact O-OG 3.09Å; V234-S237 PolarHBondContact O-N 3.13Å; N235-S237 PolarHBondContact O-N 3.45Å; S237-Y239 VanDerWaalsContact C-N 3.35Å; S237-R240 PolarHBondContact O-N 3.49Å; S237-C241 PolarHBondContact O-N 2.92Å; S237-I302 VanDerWaalsContact CB-CG2 3.46Å
238T83.9Confident81Confident4 Ų438.6 Ų38.63%0.02521%0.211CC..Hα-helixtrans-63-41.8174.6-51.20000111.3R218 V234 N235 R240 C241 D242R218-T238 VanDerWaalsContact NE-CG2 3.33Å; V234-T238 PolarHBondContact O-N 2.96Å; V234-T238 PolarHBondContact O-OG1 3.09Å; N235-T238 PolarHBondContact O-N 3.39Å; T238-R240 PolarHBondContact O-N 3.19Å; T238-C241 PolarHBondContact O-N 3.11Å; T238-D242 PolarHBondContact O-N 3.23Å
239Y84.4Confident81.8Confident37 Ų3736.5 Ų36.515%0.14519%0.189CC..Hα-helixtrans-61-42.3174-84.6-65.1000112.7L178 E182 N235 K236 S237 C241 D242 D243L178-Y239 HydrophobicContact CD1-CD2 3.38Å; L178-Y239 HydrophobicContact CD1-CE2 4.03Å; L178-Y239 HydrophobicContact CD1-CG 3.87Å; L178-Y239 HydrophobicContact CD2-CE2 4.37Å; L178-Y239 HydrophobicContact CG-CD2 4.1Å; L178-Y239 HydrophobicContact CG-CE2 4.29Å; E182-Y239 HydrophobicContact CG-CD1 4.36Å; E182-Y239 HydrophobicContact CG-CE1 3.68Å; E182-Y239 VanDerWaalsContact OE1-CZ 3.28Å; E182-Y239 PolarHBondContact OE1-OH 3.41Å; N235-Y239 VanDerWaalsContact O-CD2 3.27Å; N235-Y239 WeakPolarHBondContact O-CD2 3.36Å; N235-Y239 PolarHBondContact O-N 2.94Å; N235-Y239 WeakPolarHBondContact OD1-CE2 3.39Å; K236-Y239 PolarHBondContact O-N 3.36Å; S237-Y239 VanDerWaalsContact C-N 3.35Å; Y239-C241 VanDerWaalsContact C-N 3.32Å; Y239-C241 PolarHBondContact O-N 3.33Å; Y239-D242 PolarHBondContact O-N 3.1Å; Y239-D243 VanDerWaalsContact O-CB 3.24Å; Y239-D243 WeakPolarHBondContact O-CB 3.49Å; Y239-D243 PolarHBondContact O-N 2.82Å
240R85.7Confident82.6Confident118 Ų11839.5 Ų39.545%0.44520%0.199SC..Hα-helixtrans-62.7-38.6176.6-76.4-177.9170.6-177.3-4.4112.8E177 M181 K236 S237 T238 D243 I244E177-R240 IonicContact OE1-NH2 3.8Å; E177-R240 IonicContact OE2-CZ 2.65Å; E177-R240 IonicContact OE2-NE 2.85Å; E177-R240 IonicContact OE2-NH2 3.81Å; E177-R240 PolarHBondContact OE2-NH2 3.17Å; M181-R240 HydrophobicContact CE-CG 4.12Å; M181-R240 HydrophobicContact SD-CB 4.39Å; M181-R240 HydrophobicContact SD-CG 3.73Å; K236-R240 PolarHBondContact O-N 3.02Å; S237-R240 PolarHBondContact O-N 3.49Å; T238-R240 PolarHBondContact O-N 3.19Å; R240-D243 PolarHBondContact O-N 2.67Å; R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 3.05Å
241C86.8Confident83.3Confident31 Ų3144.3 Ų44.321%0.20922%0.224CC..Hα-helixtrans-64.9-50175.2-171.70000111S237 T238 Y239 D243 I244 C295 I302S237-C241 PolarHBondContact O-N 2.92Å; T238-C241 PolarHBondContact O-N 3.11Å; Y239-C241 VanDerWaalsContact C-N 3.32Å; Y239-C241 PolarHBondContact O-N 3.33Å; C241-D243 PolarHBondContact O-N 2.68Å; C241-I244 PolarHBondContact O-N 3.23Å; C241-C295 HydrophobicContact CB-CB 3.67Å; C241-C295 WeakPolarHBondContact CB-SG 3.26Å; C241-C295 PolarHBondContact O-SG 2.92Å; C241-C295 VanDerWaalsContact O-SG 3.33Å; C241-C295 WeakPolarHBondContact SG-CA 3.4Å; C241-C295 WeakPolarHBondContact SG-CB 3.16Å; C241-C295 CovalentContact SG-SG 2.04Å; C241-C295 PolarHBondContact SG-SG 2.86Å; C241-I302 HydrophobicContact CB-CD1 3.93Å
242D85.7Confident83.7Confident11 Ų1142.7 Ų42.76%0.05922%0.222CC..Hα-helixtrans-55.1-41.3174.9-83.6-38.1000110.9R218 T238 Y239 I244 V245 N246 R291R218-D242 IonicContact CZ-OD2 2.72Å; R218-D242 IonicContact NH1-OD2 2.64Å; R218-D242 PolarHBondContact NH1-OD2 2.84Å; T238-D242 PolarHBondContact O-N 3.23Å; Y239-D242 PolarHBondContact O-N 3.1Å; D242-I244 PolarHBondContact O-N 2.79Å; D242-V245 PolarHBondContact O-N 2.99Å; D242-N246 WeakPolarHBondContact O-CB 3.28Å; D242-N246 PolarHBondContact O-N 3.15Å; D242-N246 PolarHBondContact O-ND2 3.11Å; D242-N246 VanDerWaalsContact O-ND2 3.13Å; D242-R291 WeakPolarHBondContact OD1-CG 3.48Å; D242-R291 IonicContact OD1-CZ 2.76Å; D242-R291 IonicContact OD1-NE 3.68Å; D242-R291 PolarHBondContact OD1-NE 3.3Å; D242-R291 IonicContact OD1-NH2 3.87Å
243D87.7Confident84Confident27 Ų2741.6 Ų41.614%0.14422%0.216CC..Hα-helixtrans-67.1-34.4-176.7-167.355.1000114M181 R184 Y239 R240 C241 V245 N246 G247M181-D243 HydrophobicContact CB-CB 4.19Å; M181-D243 HydrophobicContact CG-CB 3.84Å; M181-D243 HydrophobicContact SD-CB 3.87Å; R184-D243 IonicContact CZ-OD1 3.81Å; R184-D243 IonicContact CZ-OD2 2.86Å; R184-D243 IonicContact NE-OD1 2.89Å; R184-D243 PolarHBondContact NE-OD1 2.92Å; R184-D243 IonicContact NE-OD2 2.86Å; R184-D243 VanDerWaalsContact NH2-CG 3.35Å; R184-D243 IonicContact NH2-OD1 3.5Å; R184-D243 PolarHBondContact NH2-OD1 3.29Å; R184-D243 IonicContact NH2-OD2 3.67Å; R184-D243 PolarHBondContact NH2-OD2 2.88Å; Y239-D243 VanDerWaalsContact O-CB 3.24Å; Y239-D243 WeakPolarHBondContact O-CB 3.49Å; Y239-D243 PolarHBondContact O-N 2.82Å; R240-D243 PolarHBondContact O-N 2.67Å; C241-D243 PolarHBondContact O-N 2.68Å; D243-V245 VanDerWaalsContact C-N 3.27Å; D243-V245 PolarHBondContact O-N 3.5Å; D243-N246 PolarHBondContact O-N 3.21Å; D243-G247 PolarHBondContact O-N 2.93Å
244I86.3Confident84.4Confident130 Ų13042.2 Ų42.267%0.66722%0.22SC*.Hα-helixtrans-59.6-43.8174.1-69.1166000110R240 C241 D242 A248R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 3.05Å; C241-I244 PolarHBondContact O-N 3.23Å; D242-I244 PolarHBondContact O-N 2.79Å; I244-A248 PolarHBondContact O-N 2.9Å
245V85.6Confident84.7Confident8 Ų847.4 Ų47.45%0.04824%0.24CC..Hα-helixtrans-74.4-43.2179.7-172.30000111.1D242 D243 G247 A248 V249 A287 F290 R291D242-V245 PolarHBondContact O-N 2.99Å; D243-V245 VanDerWaalsContact C-N 3.27Å; D243-V245 PolarHBondContact O-N 3.5Å; V245-G247 VanDerWaalsContact C-N 3.29Å; V245-G247 PolarHBondContact O-N 3.29Å; V245-A248 PolarHBondContact O-N 3.33Å; V245-V249 WeakPolarHBondContact O-CG2 3.45Å; V245-V249 PolarHBondContact O-N 2.9Å; V245-A287 HydrophobicContact CG1-CB 4.32Å; V245-A287 VanDerWaalsContact CG1-O 3.24Å; V245-A287 WeakPolarHBondContact CG1-O 3.49Å; V245-F290 HydrophobicContact CG2-CD1 3.74Å; V245-F290 HydrophobicContact CG2-CE1 4.06Å; V245-R291 HydrophobicContact CB-CB 4.1Å; V245-R291 HydrophobicContact CB-CG 4.3Å; V245-R291 HydrophobicContact CG1-CB 3.85Å; V245-R291 HydrophobicContact CG1-CG 4.48Å; V245-R291 HydrophobicContact CG2-CB 4.17Å
246N87Confident84.9Confident1 Ų146.3 Ų46.31%0.00523%0.233CC..Hα-helixtrans-61.2-41.1178.3-67-29.2000111.2R184 Q185 V188 D242 D243 V249 Y250 R291R184-N246 HydrophobicContact CB-CB 4.49Å; Q185-N246 WeakPolarHBondContact CA-ND2 3.27Å; Q185-N246 WeakPolarHBondContact CB-ND2 3.44Å; V188-N246 HydrophobicContact CB-CB 4.34Å; V188-N246 WeakPolarHBondContact CG1-OD1 3.36Å; V188-N246 HydrophobicContact CG2-CB 3.83Å; V188-N246 WeakPolarHBondContact CG2-O 3.48Å; D242-N246 WeakPolarHBondContact O-CB 3.28Å; D242-N246 PolarHBondContact O-N 3.15Å; D242-N246 PolarHBondContact O-ND2 3.11Å; D242-N246 VanDerWaalsContact O-ND2 3.13Å; D243-N246 PolarHBondContact O-N 3.21Å; N246-V249 PolarHBondContact O-N 3.5Å; N246-Y250 VanDerWaalsContact O-CB 3.22Å; N246-Y250 WeakPolarHBondContact O-CB 3.21Å; N246-Y250 PolarHBondContact O-N 3.39Å; N246-R291 PolarHBondContact OD1-NH1 2.9Å
247G85.5Confident84.9Confident15 Ų1548.5 Ų48.516%0.15525%0.247CC..Hα-helixtrans-61.8-42.5174.400000112.7D243 V245 Y250 L251D243-G247 PolarHBondContact O-N 2.93Å; V245-G247 VanDerWaalsContact C-N 3.29Å; V245-G247 PolarHBondContact O-N 3.29Å; G247-Y250 PolarHBondContact O-N 3.33Å; G247-L251 WeakPolarHBondContact O-CB 3.27Å; G247-L251 VanDerWaalsContact O-CG 3.25Å; G247-L251 WeakPolarHBondContact O-CG 3.27Å; G247-L251 PolarHBondContact O-N 3.26Å
248A83.3Confident85.1Confident59 Ų5953.2 Ų53.249%0.48826%0.261SS..Hα-helixtrans-63-43.3176.500000112.4I244 V245 C252I244-A248 PolarHBondContact O-N 2.9Å; V245-A248 PolarHBondContact O-N 3.33Å; A248-C252 WeakPolarHBondContact O-CB 3.37Å; A248-C252 PolarHBondContact O-N 3.14Å
249V83.3Confident85Confident7 Ų755.5 Ų55.54%0.04227%0.27CS..Hα-helixtrans-66.4-44.9177174.50000111.2V188 V245 N246 C252 K253 F284 A287V188-V249 HydrophobicContact CG1-CB 4.32Å; V188-V249 HydrophobicContact CG1-CG1 4.09Å; V188-V249 HydrophobicContact CG2-CB 4.21Å; V188-V249 HydrophobicContact CG2-CG1 4.19Å; V245-V249 WeakPolarHBondContact O-CG2 3.45Å; V245-V249 PolarHBondContact O-N 2.9Å; N246-V249 PolarHBondContact O-N 3.5Å; V249-C252 PolarHBondContact O-N 3.32Å; V249-K253 WeakPolarHBondContact O-CB 3.44Å; V249-K253 PolarHBondContact O-N 3.22Å; V249-F284 HydrophobicContact CG1-CD1 3.68Å; V249-F284 HydrophobicContact CG1-CE1 3.26Å; V249-F284 HydrophobicContact CG1-CZ 4.16Å; V249-A287 HydrophobicContact CG2-CB 3.83Å
250Y85.1Confident84.7Confident84 Ų8455.5 Ų55.533%0.32927%0.272SS..Hα-helixtrans-56.8-53.1176.8178.7-87.3000111.3F187 N246 G247 C252 K253 E254F187-Y250 AromaticContact CD1-CD2 3.48Å; F187-Y250 HydrophobicContact CD1-CD2 3.48Å; F187-Y250 VanDerWaalsContact CD1-CD2 3.48Å; F187-Y250 HydrophobicContact CD1-CE2 4.21Å; F187-Y250 HydrophobicContact CD1-CG 4.45Å; F187-Y250 HydrophobicContact CD2-CD2 4.43Å; F187-Y250 HydrophobicContact CD2-CE2 4.37Å; F187-Y250 AromaticContact CE1-CD2 3.48Å; F187-Y250 HydrophobicContact CE1-CD2 3.48Å; F187-Y250 VanDerWaalsContact CE1-CD2 3.48Å; F187-Y250 HydrophobicContact CE1-CE2 4.12Å; F187-Y250 HydrophobicContact CE1-CG 4.32Å; F187-Y250 HydrophobicContact CE2-CD2 4.43Å; F187-Y250 HydrophobicContact CE2-CE2 4.29Å; F187-Y250 AromaticContact CG-CD2 3.96Å; F187-Y250 HydrophobicContact CG-CD2 3.96Å; F187-Y250 HydrophobicContact CG-CE2 4.3Å; F187-Y250 AromaticContact CZ-CD2 3.97Å; F187-Y250 HydrophobicContact CZ-CD2 3.97Å; F187-Y250 HydrophobicContact CZ-CE2 4.15Å; N246-Y250 VanDerWaalsContact O-CB 3.22Å; N246-Y250 WeakPolarHBondContact O-CB 3.21Å; N246-Y250 PolarHBondContact O-N 3.39Å; G247-Y250 PolarHBondContact O-N 3.33Å; Y250-C252 PolarHBondContact O-N 2.87Å; Y250-K253 PolarHBondContact O-N 2.79Å; Y250-E254 WeakPolarHBondContact CE1-OE2 3.11Å; Y250-E254 WeakPolarHBondContact O-CB 3.49Å; Y250-E254 PolarHBondContact O-N 3.5Å
251L86.3Confident84.6Confident110 Ų11055.8 Ų55.858%0.57628%0.279SS*.Hα-helixtrans-65-37-179-71.5170.2000112.8G247 W255G247-L251 WeakPolarHBondContact O-CB 3.27Å; G247-L251 VanDerWaalsContact O-CG 3.25Å; G247-L251 WeakPolarHBondContact O-CG 3.27Å; G247-L251 PolarHBondContact O-N 3.26Å; L251-W255 WeakPolarHBondContact O-CB 3.43Å; L251-W255 PolarHBondContact O-N 3.16Å
252C84.8Confident84.4Confident40 Ų4058.8 Ų58.827%0.2729%0.289SS..Hα-helixtrans-63.2-49.2176.7-171.50000110.9A248 V249 Y250 W255 F256 C282A248-C252 WeakPolarHBondContact O-CB 3.37Å; A248-C252 PolarHBondContact O-N 3.14Å; V249-C252 PolarHBondContact O-N 3.32Å; Y250-C252 PolarHBondContact O-N 2.87Å; C252-W255 WeakPolarHBondContact O-CB 3.24Å; C252-W255 PolarHBondContact O-N 2.69Å; C252-F256 WeakPolarHBondContact O-CD2 3.46Å; C252-F256 PolarHBondContact O-N 3.05Å; C252-C282 HydrophobicContact CB-CB 4.12Å; C252-C282 WeakPolarHBondContact CB-SG 3.35Å; C252-C282 WeakPolarHBondContact SG-CA 3.26Å; C252-C282 WeakPolarHBondContact SG-CB 3.28Å; C252-C282 CovalentContact SG-SG 2.05Å; C252-C282 PolarHBondContact SG-SG 3.3Å
253K82.4Confident84Confident23 Ų2359.4 Ų59.410%0.130%0.295CS..Hα-helixtrans-63.4-46.6-179.8-171.5-174.2165.881.70111.6F187 Q191 V249 Y250 W255 F256 D257 F284F187-K253 HydrophobicContact CE1-CD 4.19Å; F187-K253 HydrophobicContact CZ-CD 3.94Å; Q191-K253 VanDerWaalsContact CD-CD 3.43Å; Q191-K253 VanDerWaalsContact CD-NZ 3.29Å; Q191-K253 HydrophobicContact CG-CD 3.77Å; Q191-K253 VanDerWaalsContact NE2-CE 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.44Å; V249-K253 PolarHBondContact O-N 3.22Å; Y250-K253 PolarHBondContact O-N 2.79Å; K253-W255 PolarHBondContact O-N 3.07Å; K253-F256 PolarHBondContact O-N 3.46Å; K253-F256 VanDerWaalsContact O-N 3.13Å; K253-D257 PolarHBondContact O-N 3.14Å; K253-F284 HydrophobicContact CB-CZ 4.2Å; K253-F284 HydrophobicContact CD-CZ 4.41Å; K253-F284 HydrophobicContact CG-CZ 4.38Å
254E85.3Confident83.6Confident87 Ų8763.4 Ų63.441%0.40732%0.315SS..Hα-helixtrans-56.1-37.2176-175.2-179.3-163.100111.8Y250 R258Y250-E254 WeakPolarHBondContact CE1-OE2 3.11Å; Y250-E254 WeakPolarHBondContact O-CB 3.49Å; Y250-E254 PolarHBondContact O-N 3.5Å; E254-R258 VanDerWaalsContact O-CB 3.3Å; E254-R258 WeakPolarHBondContact O-CB 3.49Å; E254-R258 PolarHBondContact O-N 3.04Å
255W85.3Confident83.4Confident110 Ų11064.4 Ų64.442%0.41732%0.317SS..Hα-helixtrans-65.4-43.5177-172.797.8000113L251 C252 K253 K259L251-W255 WeakPolarHBondContact O-CB 3.43Å; L251-W255 PolarHBondContact O-N 3.16Å; C252-W255 WeakPolarHBondContact O-CB 3.24Å; C252-W255 PolarHBondContact O-N 2.69Å; K253-W255 PolarHBondContact O-N 3.07Å; W255-K259 HydrophobicContact CD2-CG 4.1Å; W255-K259 HydrophobicContact CE3-CG 4.09Å; W255-K259 HydrophobicContact CH2-CG 3.95Å; W255-K259 HydrophobicContact CZ2-CD 4.38Å; W255-K259 HydrophobicContact CZ2-CG 3.96Å; W255-K259 HydrophobicContact CZ3-CG 4.01Å; W255-K259 WeakPolarHBondContact O-CG 3.45Å; W255-K259 PolarHBondContact O-N 3.27Å
256F84.3Confident82.6Confident14 Ų1466.3 Ų66.36%0.06133%0.331CS..Hα-helixtrans-69-43.9177.2-82.8-79.7000112.2C252 K253 R258 K259 M260 N279 L281 C282C252-F256 WeakPolarHBondContact O-CD2 3.46Å; C252-F256 PolarHBondContact O-N 3.05Å; K253-F256 PolarHBondContact O-N 3.46Å; K253-F256 VanDerWaalsContact O-N 3.13Å; F256-R258 VanDerWaalsContact C-N 3.28Å; F256-R258 PolarHBondContact O-N 3.28Å; F256-K259 PolarHBondContact O-N 2.92Å; F256-K259 VanDerWaalsContact O-N 3.1Å; F256-M260 WeakPolarHBondContact O-CB 3.38Å; F256-M260 PolarHBondContact O-N 3.45Å; F256-N279 VanDerWaalsContact CB-OD1 3.23Å; F256-N279 WeakPolarHBondContact CB-OD1 3.32Å; F256-L281 HydrophobicContact CE1-CB 4.19Å; F256-L281 HydrophobicContact CE1-CD1 3.86Å; F256-L281 HydrophobicContact CE2-CB 3.92Å; F256-L281 HydrophobicContact CZ-CB 3.36Å; F256-L281 HydrophobicContact CZ-CD1 3.61Å; F256-L281 HydrophobicContact CZ-CG 4.1Å; F256-C282 WeakPolarHBondContact CD2-SG 3.46Å; F256-C282 VanDerWaalsContact CE2-SG 3.59Å
257D83.3Confident81.5Confident78 Ų7873.3 Ų73.342%0.41737%0.374SS..Hα-helixtrans-59-43177.7-70.2-20000110.3K253 M260 E261K253-D257 PolarHBondContact O-N 3.14Å; D257-M260 PolarHBondContact O-N 3.01Å; D257-E261 PolarHBondContact O-N 3.43Å; D257-E261 VanDerWaalsContact O-N 3.14Å
258R84.6Confident80.3Confident123 Ų12382.1 Ų82.146%0.46440%0.403SS..Hα-helixtrans-64.4-40.9174.3-174.6176.762.4-161.7-5.4112.9E254 F256 E261 E262E254-R258 VanDerWaalsContact O-CB 3.3Å; E254-R258 WeakPolarHBondContact O-CB 3.49Å; E254-R258 PolarHBondContact O-N 3.04Å; F256-R258 VanDerWaalsContact C-N 3.28Å; F256-R258 PolarHBondContact O-N 3.28Å; R258-E261 PolarHBondContact O-N 3.2Å; R258-E262 WeakPolarHBondContact O-CG 3.38Å; R258-E262 PolarHBondContact O-N 2.95Å
259K82.8Confident79.2Confident53 Ų5387.1 Ų87.123%0.2341%0.409CS..Hα-helixtrans-70.1-32.6179.3-75.7-70.2168-157.50113.1W255 F256 E262 C263 Y276W255-K259 HydrophobicContact CD2-CG 4.1Å; W255-K259 HydrophobicContact CE3-CG 4.09Å; W255-K259 HydrophobicContact CH2-CG 3.95Å; W255-K259 HydrophobicContact CZ2-CD 4.38Å; W255-K259 HydrophobicContact CZ2-CG 3.96Å; W255-K259 HydrophobicContact CZ3-CG 4.01Å; W255-K259 WeakPolarHBondContact O-CG 3.45Å; W255-K259 PolarHBondContact O-N 3.27Å; F256-K259 PolarHBondContact O-N 2.92Å; F256-K259 VanDerWaalsContact O-N 3.1Å; K259-E262 IonicContact NZ-OE1 3.44Å; K259-E262 IonicContact NZ-OE2 2.79Å; K259-E262 PolarHBondContact NZ-OE2 3.25Å; K259-C263 WeakPolarHBondContact O-CB 3.36Å; K259-C263 PolarHBondContact O-N 3.39Å; K259-Y276 HydrophobicContact CB-CD1 3.66Å; K259-Y276 HydrophobicContact CB-CE1 3.77Å; K259-Y276 HydrophobicContact CB-CG 4.27Å; K259-Y276 HydrophobicContact CG-CE1 4.37Å
260M78.3Confident78.2Confident37 Ų3792.1 Ų92.118%0.18244%0.436CS..Hα-helixtrans-60.9-47.9169.9176.261.188.600110.9F256 D257 E262 C263 L264 C273 Y276 E277F256-M260 WeakPolarHBondContact O-CB 3.38Å; F256-M260 PolarHBondContact O-N 3.45Å; D257-M260 PolarHBondContact O-N 3.01Å; M260-E262 PolarHBondContact O-N 3.42Å; M260-C263 PolarHBondContact O-N 2.78Å; M260-C263 VanDerWaalsContact O-N 3.15Å; M260-L264 HydrophobicContact CG-CD1 4.01Å; M260-L264 WeakPolarHBondContact O-CG 3.45Å; M260-L264 PolarHBondContact O-N 2.82Å; M260-L264 HydrophobicContact SD-CD1 4.08Å; M260-L264 HydrophobicContact SD-CG 4.24Å; M260-C273 HydrophobicContact SD-CB 4.36Å; M260-Y276 VanDerWaalsContact CE-C 3.45Å; M260-E277 HydrophobicContact CE-CB 3.44Å; M260-E277 VanDerWaalsContact CE-CB 3.44Å; M260-E277 HydrophobicContact CE-CG 3.96Å
261E83.1Confident77.4Confident124 Ų12494.3 Ų94.358%0.57946%0.457SS*.Hα-helixtrans-63.4-42179.3-164.9174.5-162.700112.2D257 R258 C263 L264 Q265D257-E261 PolarHBondContact O-N 3.43Å; D257-E261 VanDerWaalsContact O-N 3.14Å; R258-E261 PolarHBondContact O-N 3.2Å; E261-C263 VanDerWaalsContact C-N 3.32Å; E261-C263 PolarHBondContact O-N 3.37Å; E261-L264 PolarHBondContact O-N 3.29Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å
262E82.1Confident76.6Confident93 Ų9393 Ų9344%0.43545%0.45SS..Hα-helixtrans-61.5-37.6172.7-73.8175.8-161.300112.3R258 K259 M260R258-E262 WeakPolarHBondContact O-CG 3.38Å; R258-E262 PolarHBondContact O-N 2.95Å; K259-E262 IonicContact NZ-OE1 3.44Å; K259-E262 IonicContact NZ-OE2 2.79Å; K259-E262 PolarHBondContact NZ-OE2 3.25Å; M260-E262 PolarHBondContact O-N 3.42Å
263C77.9Confident76.2Confident25 Ų2591.2 Ų91.217%0.16944%0.439CS..Hα-helixtrans-69-44.9179.6-169.80000112.2K259 M260 E261 Q265 S266 C273 Y276K259-C263 WeakPolarHBondContact O-CB 3.36Å; K259-C263 PolarHBondContact O-N 3.39Å; M260-C263 PolarHBondContact O-N 2.78Å; M260-C263 VanDerWaalsContact O-N 3.15Å; E261-C263 VanDerWaalsContact C-N 3.32Å; E261-C263 PolarHBondContact O-N 3.37Å; C263-Q265 PolarHBondContact O-N 3.1Å; C263-Q265 VanDerWaalsContact O-N 3.08Å; C263-S266 PolarHBondContact O-N 3.28Å; C263-S266 VanDerWaalsContact O-N 3.09Å; C263-C273 HydrophobicContact CB-CB 3.82Å; C263-C273 WeakPolarHBondContact CB-SG 3.48Å; C263-C273 PolarHBondContact O-SG 3.17Å; C263-C273 WeakPolarHBondContact SG-CA 3.26Å; C263-C273 WeakPolarHBondContact SG-CB 3.4Å; C263-C273 CovalentContact SG-SG 2.05Å; C263-C273 PolarHBondContact SG-SG 3.08Å; C263-Y276 HydrophobicContact CB-CD2 3.69Å; C263-Y276 HydrophobicContact CB-CE2 3.87Å
264L79.5Confident75.8Confident110 Ų11093.2 Ų93.258%0.57645%0.453SS*.Hα-helixtrans-62.1-16.3-179.5-74.7164.9000113.6M260 E261M260-L264 HydrophobicContact CG-CD1 4.01Å; M260-L264 WeakPolarHBondContact O-CG 3.45Å; M260-L264 PolarHBondContact O-N 2.82Å; M260-L264 HydrophobicContact SD-CD1 4.08Å; M260-L264 HydrophobicContact SD-CG 4.24Å; E261-L264 PolarHBondContact O-N 3.29Å
265Q81Confident75.2Confident151 Ų15195.9 Ų95.971%0.70646%0.463SS*.THydrogen-bonded Turntrans-84.4-4.8177.1-69.8179.66.800114.2E261 C263E261-Q265 WeakPolarHBondContact O-CG 3.4Å; C263-Q265 PolarHBondContact O-N 3.1Å; C263-Q265 VanDerWaalsContact O-N 3.08Å
266S69.4Low74.7Confident49 Ų4994.8 Ų94.834%0.34346%0.459SS..  trans-103.8108.8-170.6170.50000113.8C263 W268C263-S266 PolarHBondContact O-N 3.28Å; C263-S266 VanDerWaalsContact O-N 3.09Å; S266-W268 VanDerWaalsContact C-N 3.29Å; S266-W268 PolarHBondContact O-N 3.32Å; S266-W268 PolarHBondContact OG-NE1 3.15Å
267T63.4Low74.1Confident148 Ų148100.2 Ų100.291%0.90849%0.485SS*.THydrogen-bonded Turntrans-64.77.3-16441.90000119.8
268W59.9Low73.2Confident199 Ų199102 Ų10275%0.75449%0.489SS*.THydrogen-bonded Turntrans-119.1-14.6-168.354.5-21.4000115.9S266S266-W268 VanDerWaalsContact C-N 3.29Å; S266-W268 PolarHBondContact O-N 3.32Å; S266-W268 PolarHBondContact OG-NE1 3.15Å
269W61.6Low72.3Confident164 Ų16498.2 Ų98.262%0.62148%0.478SS*.  trans-156.558-176.4-55.977.7000114V271 L272W269-V271 PolarHBondContact O-N 3.04Å; W269-L272 HydrophobicContact CB-CB 4.3Å; W269-L272 HydrophobicContact CB-CD1 3.8Å; W269-L272 HydrophobicContact CB-CG 4.16Å; W269-L272 HydrophobicContact CD2-CD1 3.95Å; W269-L272 HydrophobicContact CE3-CD1 3.68Å; W269-L272 HydrophobicContact CE3-CG 4.31Å; W269-L272 HydrophobicContact CG-CD1 4Å; W269-L272 PolarHBondContact O-N 2.86Å
270D62.5Low71.5Confident113 Ų113102.6 Ų102.660%0.60450%0.498SS*.G310 helixtrans-48.7-31.6177.9-71.2-10000113.7L272 C273D270-L272 VanDerWaalsContact C-N 3.29Å; D270-L272 PolarHBondContact O-N 3.36Å; D270-C273 PolarHBondContact O-N 3.46Å
271V66.9Low71Confident129 Ų129105.9 Ų105.978%0.78252%0.515SS*.G310 helixtrans-66.7-26.5-179.1-175.70000113W269W269-V271 PolarHBondContact O-N 3.04Å
272L70Confident70.5Confident82 Ų82100.4 Ų100.443%0.42949%0.491SS..G310 helixtrans-80.3-18.3179.4-71.6174.1000112.9W269 D270 V274 F275W269-L272 HydrophobicContact CB-CB 4.3Å; W269-L272 HydrophobicContact CB-CD1 3.8Å; W269-L272 HydrophobicContact CB-CG 4.16Å; W269-L272 HydrophobicContact CD2-CD1 3.95Å; W269-L272 HydrophobicContact CE3-CD1 3.68Å; W269-L272 HydrophobicContact CE3-CG 4.31Å; W269-L272 HydrophobicContact CG-CD1 4Å; W269-L272 PolarHBondContact O-N 2.86Å; D270-L272 VanDerWaalsContact C-N 3.29Å; D270-L272 PolarHBondContact O-N 3.36Å; L272-V274 PolarHBondContact O-N 3.25Å; L272-F275 HydrophobicContact CD2-CD2 4.03Å; L272-F275 HydrophobicContact CD2-CE2 3.61Å; L272-F275 WeakPolarHBondContact O-CB 3.42Å; L272-F275 VanDerWaalsContact O-CD2 3.26Å; L272-F275 WeakPolarHBondContact O-CD2 3.06Å; L272-F275 PolarHBondContact O-N 3.4Å; L272-F275 VanDerWaalsContact O-N 3.11Å
273C77.3Confident70Confident4 Ų4100.6 Ų100.63%0.02750%0.495CS..G310 helixtrans-67.5-19.4-178.2-640000114M260 C263 D270 F275 Y276M260-C273 HydrophobicContact SD-CB 4.36Å; C263-C273 HydrophobicContact CB-CB 3.82Å; C263-C273 WeakPolarHBondContact CB-SG 3.48Å; C263-C273 PolarHBondContact O-SG 3.17Å; C263-C273 WeakPolarHBondContact SG-CA 3.26Å; C263-C273 WeakPolarHBondContact SG-CB 3.4Å; C263-C273 CovalentContact SG-SG 2.05Å; C263-C273 PolarHBondContact SG-SG 3.08Å; D270-C273 PolarHBondContact O-N 3.46Å; C273-F275 PolarHBondContact O-N 3.13Å; C273-F275 VanDerWaalsContact O-N 3.08Å; C273-Y276 PolarHBondContact O-N 3.22Å
274V72.3Confident69.7Low65 Ų65100.1 Ų100.139%0.39449%0.49SS..G310 helixtrans-55.3-25.5171.4178.70000111.9L272 Y276 E277 F278L272-V274 PolarHBondContact O-N 3.25Å; V274-Y276 PolarHBondContact O-N 2.99Å; V274-E277 WeakPolarHBondContact O-CB 3.47Å; V274-E277 PolarHBondContact O-N 3Å; V274-F278 HydrophobicContact CG1-CE2 3.75Å; V274-F278 HydrophobicContact CG1-CZ 4.24Å; V274-F278 WeakPolarHBondContact O-CD2 3.24Å
275F73.3Confident69.3Low143 Ų14397.6 Ų97.663%0.62749%0.485SS*.G310 helixtrans-60-30173.7-77.8-65.4000113.7L272 C273 E277L272-F275 HydrophobicContact CD2-CD2 4.03Å; L272-F275 HydrophobicContact CD2-CE2 3.61Å; L272-F275 WeakPolarHBondContact O-CB 3.42Å; L272-F275 VanDerWaalsContact O-CD2 3.26Å; L272-F275 WeakPolarHBondContact O-CD2 3.06Å; L272-F275 PolarHBondContact O-N 3.4Å; L272-F275 VanDerWaalsContact O-N 3.11Å; C273-F275 PolarHBondContact O-N 3.13Å; C273-F275 VanDerWaalsContact O-N 3.08Å; F275-E277 VanDerWaalsContact C-N 3.35Å
276Y74.7Confident69.1Low86 Ų8695.1 Ų95.134%0.33748%0.476SS..G310 helixtrans-84.7-8.8175.5-64.3-69.7000113.1K259 M260 C263 C273 V274 F278K259-Y276 HydrophobicContact CB-CD1 3.66Å; K259-Y276 HydrophobicContact CB-CE1 3.77Å; K259-Y276 HydrophobicContact CB-CG 4.27Å; K259-Y276 HydrophobicContact CG-CE1 4.37Å; M260-Y276 VanDerWaalsContact CE-C 3.45Å; C263-Y276 HydrophobicContact CB-CD2 3.69Å; C263-Y276 HydrophobicContact CB-CE2 3.87Å; C273-Y276 PolarHBondContact O-N 3.22Å; V274-Y276 PolarHBondContact O-N 2.99Å; Y276-F278 VanDerWaalsContact C-N 3.28Å
277E71.9Confident69.5Low128 Ų12894.1 Ų94.160%0.59847%0.471SS*.THydrogen-bonded Turntrans-74.8-27.5174.5-155.8175.5165.800110.7M260 V274 F275 N279M260-E277 HydrophobicContact CE-CB 3.44Å; M260-E277 VanDerWaalsContact CE-CB 3.44Å; M260-E277 HydrophobicContact CE-CG 3.96Å; V274-E277 WeakPolarHBondContact O-CB 3.47Å; V274-E277 PolarHBondContact O-N 3Å; F275-E277 VanDerWaalsContact C-N 3.35Å; E277-N279 PolarHBondContact O-N 2.91Å
278F65.1Low70.3Confident116 Ų11687.8 Ų87.851%0.50943%0.432SS..  trans-79.885.1177.4-59.6-72.5000110.3V274 Y276 F280V274-F278 HydrophobicContact CG1-CE2 3.75Å; V274-F278 HydrophobicContact CG1-CZ 4.24Å; V274-F278 WeakPolarHBondContact O-CD2 3.24Å; Y276-F278 VanDerWaalsContact C-N 3.28Å; F278-F280 HydrophobicContact CB-CD1 3.62Å; F278-F280 HydrophobicContact CB-CE1 4.12Å; F278-F280 VanDerWaalsContact O-CD1 3.3Å; F278-F280 WeakPolarHBondContact O-CD1 3.37Å; F278-F280 PolarHBondContact O-N 2.84Å
279N65.8Low71.3Confident43 Ų4383.2 Ų83.223%0.2342%0.422CS..G310 helixtrans-65.712171.1-69.3-28.2000114.2F256 E277 L281 C282F256-N279 VanDerWaalsContact CB-OD1 3.23Å; F256-N279 WeakPolarHBondContact CB-OD1 3.32Å; E277-N279 PolarHBondContact O-N 2.91Å; N279-L281 PolarHBondContact O-N 2.92Å; N279-L281 VanDerWaalsContact O-N 3.12Å; N279-C282 PolarHBondContact O-N 2.95Å
280F65.8Low72.2Confident146 Ų14680.6 Ų80.664%0.6442%0.415SS*.G310 helixtrans-61.7-20.8-177.882.6-81.3000113.3F278 C282F278-F280 HydrophobicContact CB-CD1 3.62Å; F278-F280 HydrophobicContact CB-CE1 4.12Å; F278-F280 VanDerWaalsContact O-CD1 3.3Å; F278-F280 WeakPolarHBondContact O-CD1 3.37Å; F278-F280 PolarHBondContact O-N 2.84Å; F280-C282 VanDerWaalsContact C-N 3.31Å
281L66.4Low73.3Confident106 Ų10675.8 Ų75.856%0.55539%0.388SS*.G310 helixtrans-73.9-21.9177-73.3173.3000113F256 N279 N283F256-L281 HydrophobicContact CE1-CB 4.19Å; F256-L281 HydrophobicContact CE1-CD1 3.86Å; F256-L281 HydrophobicContact CE2-CB 3.92Å; F256-L281 HydrophobicContact CZ-CB 3.36Å; F256-L281 HydrophobicContact CZ-CD1 3.61Å; F256-L281 HydrophobicContact CZ-CG 4.1Å; N279-L281 PolarHBondContact O-N 2.92Å; N279-L281 VanDerWaalsContact O-N 3.12Å; L281-N283 PolarHBondContact O-N 3.4Å
282C72.7Confident73.8Confident9 Ų972 Ų726%0.06136%0.362CS..SBendtrans-77100.3160.6-63.80000105.8C252 F256 N279 F280 F284C252-C282 HydrophobicContact CB-CB 4.12Å; C252-C282 WeakPolarHBondContact CB-SG 3.35Å; C252-C282 WeakPolarHBondContact SG-CA 3.26Å; C252-C282 WeakPolarHBondContact SG-CB 3.28Å; C252-C282 CovalentContact SG-SG 2.05Å; C252-C282 PolarHBondContact SG-SG 3.3Å; F256-C282 WeakPolarHBondContact CD2-SG 3.46Å; F256-C282 VanDerWaalsContact CE2-SG 3.59Å; N279-C282 PolarHBondContact O-N 2.95Å; F280-C282 VanDerWaalsContact C-N 3.31Å; C282-F284 HydrophobicContact CB-CD2 3.56Å; C282-F284 HydrophobicContact CB-CE2 3.39Å; C282-F284 HydrophobicContact CB-CG 4.49Å; C282-F284 HydrophobicContact CB-CZ 4.24Å; C282-F284 WeakPolarHBondContact O-CD2 3.36Å; C282-F284 PolarHBondContact O-N 2.98Å
283N71.8Confident74.2Confident97 Ų9771.2 Ų71.252%0.51936%0.36SS..  trans-64.269.5173.1-816.9000110.1L281 A285 D286 A287L281-N283 PolarHBondContact O-N 3.4Å; N283-A285 PolarHBondContact O-N 3.3Å; N283-D286 HydrophobicContact CB-CB 4.06Å; N283-D286 PolarHBondContact ND2-OD2 3.44Å; N283-D286 PolarHBondContact O-N 3.32Å; N283-A287 WeakPolarHBondContact O-CB 3.45Å; N283-A287 PolarHBondContact O-N 2.96Å
284F73.1Confident74.4Confident14 Ų1475.4 Ų75.46%0.06138%0.379CS..Hα-helixtrans-57.8-41.3-176.7-88.5-84000110.4Q191 H195 V249 K253 C282 L288Q191-F284 HydrophobicContact CB-CE1 4.3Å; H195-F284 AromaticContact CD2-CG 3.98Å; V249-F284 HydrophobicContact CG1-CD1 3.68Å; V249-F284 HydrophobicContact CG1-CE1 3.26Å; V249-F284 HydrophobicContact CG1-CZ 4.16Å; K253-F284 HydrophobicContact CB-CZ 4.2Å; K253-F284 HydrophobicContact CD-CZ 4.41Å; K253-F284 HydrophobicContact CG-CZ 4.38Å; C282-F284 HydrophobicContact CB-CD2 3.56Å; C282-F284 HydrophobicContact CB-CE2 3.39Å; C282-F284 HydrophobicContact CB-CG 4.49Å; C282-F284 HydrophobicContact CB-CZ 4.24Å; C282-F284 WeakPolarHBondContact O-CD2 3.36Å; C282-F284 PolarHBondContact O-N 2.98Å; F284-L288 VanDerWaalsContact O-CB 3.28Å; F284-L288 WeakPolarHBondContact O-CB 3.25Å; F284-L288 WeakPolarHBondContact O-CG 3.17Å; F284-L288 PolarHBondContact O-N 3.4Å
285A71.3Confident74.9Confident57 Ų5772.3 Ų72.347%0.47136%0.361SS..Hα-helixtrans-63-48.5178.500000112N283 L288 D289N283-A285 PolarHBondContact O-N 3.3Å; A285-L288 PolarHBondContact O-N 3.49Å; A285-D289 VanDerWaalsContact O-CB 3.29Å; A285-D289 WeakPolarHBondContact O-CB 2.85Å; A285-D289 PolarHBondContact O-N 2.82Å
286D76.2Confident74.9Confident100 Ų10066.9 Ų66.954%0.53535%0.345SS..Hα-helixtrans-69-39.5-178-58.4-19000111.8N283 D289 F290N283-D286 HydrophobicContact CB-CB 4.06Å; N283-D286 PolarHBondContact ND2-OD2 3.44Å; N283-D286 PolarHBondContact O-N 3.32Å; D286-D289 PolarHBondContact O-N 3.45Å; D286-F290 WeakPolarHBondContact O-CB 3.48Å; D286-F290 PolarHBondContact O-N 3.11Å
287A77.9Confident74.8Confident28 Ų2864.7 Ų64.723%0.23134%0.342CS..Hα-helixtrans-64.5-44.7177.400000111.2V245 V249 N283 F290 R291V245-A287 HydrophobicContact CG1-CB 4.32Å; V245-A287 VanDerWaalsContact CG1-O 3.24Å; V245-A287 WeakPolarHBondContact CG1-O 3.49Å; V249-A287 HydrophobicContact CG2-CB 3.83Å; N283-A287 WeakPolarHBondContact O-CB 3.45Å; N283-A287 PolarHBondContact O-N 2.96Å; A287-F290 PolarHBondContact O-N 3.23Å; A287-R291 PolarHBondContact O-N 3.25Å
288L80.4Confident74.8Confident15 Ų1564.4 Ų64.48%0.07934%0.341CS..Hα-helixtrans-68.7-38.4177.2-69.8174000111.8V188 E192 F284 A285 F290 R291 F292V188-L288 HydrophobicContact CG1-CD2 3.96Å; E192-L288 HydrophobicContact CB-CD1 3.9Å; E192-L288 HydrophobicContact CG-CD1 3.75Å; F284-L288 VanDerWaalsContact O-CB 3.28Å; F284-L288 WeakPolarHBondContact O-CB 3.25Å; F284-L288 WeakPolarHBondContact O-CG 3.17Å; F284-L288 PolarHBondContact O-N 3.4Å; A285-L288 PolarHBondContact O-N 3.49Å; L288-F290 VanDerWaalsContact C-N 3.33Å; L288-F290 PolarHBondContact O-N 3.38Å; L288-R291 WeakPolarHBondContact O-CB 3.49Å; L288-R291 PolarHBondContact O-N 2.8Å; L288-F292 HydrophobicContact CB-CE2 3.84Å; L288-F292 HydrophobicContact CB-CZ 4.45Å; L288-F292 WeakPolarHBondContact O-CD2 3.43Å; L288-F292 VanDerWaalsContact O-CE2 3.26Å; L288-F292 WeakPolarHBondContact O-CE2 3.23Å; L288-F292 WeakPolarHBondContact O-CG 3.38Å; L288-F292 PolarHBondContact O-N 2.88Å
289D80.4Confident75.1Confident102 Ų10264 Ų6455%0.54534%0.344SS..Hα-helixtrans-61.9-41.9174.8-16045.4000111.4A285 D286 F292 T293A285-D289 VanDerWaalsContact O-CB 3.29Å; A285-D289 WeakPolarHBondContact O-CB 2.85Å; A285-D289 PolarHBondContact O-N 2.82Å; D286-D289 PolarHBondContact O-N 3.45Å; D289-F292 PolarHBondContact O-N 3.29Å; D289-T293 WeakPolarHBondContact O-CB 3.34Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.09Å; D289-T293 PolarHBondContact O-OG1 3.34Å
290F81Confident75.6Confident110 Ų11062.3 Ų62.348%0.48234%0.335SS..Hα-helixtrans-58.8-45.2170.8-177.3-93.4000112.6V245 D286 A287 L288 F292 T293 E294V245-F290 HydrophobicContact CG2-CD1 3.74Å; V245-F290 HydrophobicContact CG2-CE1 4.06Å; D286-F290 WeakPolarHBondContact O-CB 3.48Å; D286-F290 PolarHBondContact O-N 3.11Å; A287-F290 PolarHBondContact O-N 3.23Å; L288-F290 VanDerWaalsContact C-N 3.33Å; L288-F290 PolarHBondContact O-N 3.38Å; F290-F292 VanDerWaalsContact C-N 3.3Å; F290-F292 PolarHBondContact O-N 3.25Å; F290-T293 WeakPolarHBondContact CA-OG1 3.45Å; F290-T293 PolarHBondContact O-N 3.44Å; F290-T293 PolarHBondContact O-OG1 2.89Å; F290-E294 HydrophobicContact CD2-CG 3.88Å; F290-E294 HydrophobicContact CE1-CB 4.37Å; F290-E294 HydrophobicContact CE1-CG 4.47Å; F290-E294 HydrophobicContact CE2-CB 4.31Å; F290-E294 HydrophobicContact CE2-CG 3.55Å; F290-E294 HydrophobicContact CG-CG 4.48Å; F290-E294 HydrophobicContact CZ-CB 4.17Å; F290-E294 HydrophobicContact CZ-CG 3.87Å; F290-E294 WeakPolarHBondContact O-CB 3.2Å; F290-E294 PolarHBondContact O-N 3.37Å
291R84.3Confident76.3Confident11 Ų1163 Ų634%0.04234%0.34CS..Iπ-helixtrans-55.4-45.1174.7-172.7178.7163.9-161.2-13.4111.7Q185 D242 V245 N246 A287 L288 C295 G296Q185-R291 VanDerWaalsContact CD-NH2 3.31Å; D242-R291 WeakPolarHBondContact OD1-CG 3.48Å; D242-R291 IonicContact OD1-CZ 2.76Å; D242-R291 IonicContact OD1-NE 3.68Å; D242-R291 PolarHBondContact OD1-NE 3.3Å; D242-R291 IonicContact OD1-NH2 3.87Å; V245-R291 HydrophobicContact CB-CB 4.1Å; V245-R291 HydrophobicContact CB-CG 4.3Å; V245-R291 HydrophobicContact CG1-CB 3.85Å; V245-R291 HydrophobicContact CG1-CG 4.48Å; V245-R291 HydrophobicContact CG2-CB 4.17Å; N246-R291 PolarHBondContact OD1-NH1 2.9Å; A287-R291 PolarHBondContact O-N 3.25Å; L288-R291 WeakPolarHBondContact O-CB 3.49Å; L288-R291 PolarHBondContact O-N 2.8Å; R291-C295 VanDerWaalsContact O-CB 3.25Å; R291-C295 WeakPolarHBondContact O-CB 3.44Å; R291-C295 PolarHBondContact O-N 3.2Å; R291-C295 VanDerWaalsContact O-N 3.13Å; R291-G296 PolarHBondContact O-N 3.2Å; R291-G296 VanDerWaalsContact O-N 3.13Å
292F78.3Confident77Confident51 Ų5159.3 Ų59.322%0.22432%0.321CS..Iπ-helixtrans-73.8-38.6-178.5-59.8-49.6000112.9R214 L288 D289 F290 G296 S297R214-F292 VanDerWaalsContact CZ-CE1 3.4Å; R214-F292 VanDerWaalsContact CZ-CE2 3.5Å; R214-F292 VanDerWaalsContact NH1-CE1 3.35Å; R214-F292 VanDerWaalsContact NH2-CE2 3.32Å; L288-F292 HydrophobicContact CB-CE2 3.84Å; L288-F292 HydrophobicContact CB-CZ 4.45Å; L288-F292 WeakPolarHBondContact O-CD2 3.43Å; L288-F292 VanDerWaalsContact O-CE2 3.26Å; L288-F292 WeakPolarHBondContact O-CE2 3.23Å; L288-F292 WeakPolarHBondContact O-CG 3.38Å; L288-F292 PolarHBondContact O-N 2.88Å; D289-F292 PolarHBondContact O-N 3.29Å; F290-F292 VanDerWaalsContact C-N 3.3Å; F290-F292 PolarHBondContact O-N 3.25Å; F292-G296 CarbonylContact O-C 3.55Å; F292-G296 VanDerWaalsContact O-C 3.25Å; F292-G296 VanDerWaalsContact O-CA 3.3Å; F292-G296 WeakPolarHBondContact O-CA 3.49Å; F292-G296 PolarHBondContact O-N 2.72Å; F292-S297 PolarHBondContact O-N 2.64Å; F292-S297 VanDerWaalsContact O-N 3.08Å
293T78.3Confident77.2Confident64 Ų6460.1 Ų60.139%0.39332%0.324SS..Iπ-helixtrans-77.6-34.8-176.647.10000113.1D289 F290 S297D289-T293 WeakPolarHBondContact O-CB 3.34Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.09Å; D289-T293 PolarHBondContact O-OG1 3.34Å; F290-T293 WeakPolarHBondContact CA-OG1 3.45Å; F290-T293 PolarHBondContact O-N 3.44Å; F290-T293 PolarHBondContact O-OG1 2.89Å; T293-S297 WeakPolarHBondContact O-CB 3.4Å; T293-S297 PolarHBondContact O-OG 3.13Å
294E81.4Confident77.6Confident93 Ų9361.7 Ų61.744%0.43533%0.326SS..Iπ-helixtrans-101.3-44.2-176.4-67.2-58.715200112.9F290 N300F290-E294 HydrophobicContact CD2-CG 3.88Å; F290-E294 HydrophobicContact CE1-CB 4.37Å; F290-E294 HydrophobicContact CE1-CG 4.47Å; F290-E294 HydrophobicContact CE2-CB 4.31Å; F290-E294 HydrophobicContact CE2-CG 3.55Å; F290-E294 HydrophobicContact CG-CG 4.48Å; F290-E294 HydrophobicContact CZ-CB 4.17Å; F290-E294 HydrophobicContact CZ-CG 3.87Å; F290-E294 WeakPolarHBondContact O-CB 3.2Å; F290-E294 PolarHBondContact O-N 3.37Å; E294-N300 VanDerWaalsContact O-CB 3.24Å; E294-N300 WeakPolarHBondContact O-CB 3.3Å
295C82.5Confident78Confident0 Ų067.5 Ų67.50%035%0.348CS..Iπ-helixtrans-86-36.8-179.7-52.10000111.8C241 R291 N300C241-C295 HydrophobicContact CB-CB 3.67Å; C241-C295 WeakPolarHBondContact CB-SG 3.26Å; C241-C295 PolarHBondContact O-SG 2.92Å; C241-C295 VanDerWaalsContact O-SG 3.33Å; C241-C295 WeakPolarHBondContact SG-CA 3.4Å; C241-C295 WeakPolarHBondContact SG-CB 3.16Å; C241-C295 CovalentContact SG-SG 2.04Å; C241-C295 PolarHBondContact SG-SG 2.86Å; R291-C295 VanDerWaalsContact O-CB 3.25Å; R291-C295 WeakPolarHBondContact O-CB 3.44Å; R291-C295 PolarHBondContact O-N 3.2Å; R291-C295 VanDerWaalsContact O-N 3.13Å; C295-N300 PolarHBondContact O-ND2 3.15Å
296G73.7Confident78.2Confident29 Ų2964.8 Ų64.830%0.29933%0.326SS..SBendtrans-94.8-10.9-17200000116.3R221 R291 F292R221-G296 PolarHBondContact NH2-O 2.84Å; R291-G296 PolarHBondContact O-N 3.2Å; R291-G296 VanDerWaalsContact O-N 3.13Å; F292-G296 CarbonylContact O-C 3.55Å; F292-G296 VanDerWaalsContact O-C 3.25Å; F292-G296 VanDerWaalsContact O-CA 3.3Å; F292-G296 WeakPolarHBondContact O-CA 3.49Å; F292-G296 PolarHBondContact O-N 2.72Å
297S73Confident78.2Confident39 Ų3964.7 Ų64.727%0.27333%0.325SS..SBendtrans-77.4155.4-176.265.60000113R221 F292 T293R221-S297 PolarHBondContact NH1-O 3.35Å; F292-S297 PolarHBondContact O-N 2.64Å; F292-S297 VanDerWaalsContact O-N 3.08Å; T293-S297 WeakPolarHBondContact O-CB 3.4Å; T293-S297 PolarHBondContact O-OG 3.13Å
298E70.6Confident78.1Confident123 Ų12366.3 Ų66.358%0.57534%0.335SS*.THydrogen-bonded Turntrans-69.2139.5166.1-74.2-174.7158.200109.6
299N71.8Confident78Confident108 Ų10869.1 Ų69.158%0.57835%0.345SS*.THydrogen-bonded Turntrans67.530.3-176.8-53.4-52.2000115.1E303 K304N299-E303 PolarHBondContact N-OE2 2.96Å; N299-K304 WeakPolarHBondContact O-CE 3.39Å; N299-K304 PolarHBondContact O-NZ 3.28Å
300N77.3Confident77.5Confident6 Ų664.6 Ų64.63%0.03232%0.322CS..  trans-62.5165.1167.463.112000111.3E294 C295 I302 E303 K304E294-N300 VanDerWaalsContact O-CB 3.24Å; E294-N300 WeakPolarHBondContact O-CB 3.3Å; C295-N300 PolarHBondContact O-ND2 3.15Å; N300-I302 PolarHBondContact O-N 2.85Å; N300-I302 VanDerWaalsContact O-N 3.16Å; N300-E303 PolarHBondContact O-N 3.07Å; N300-E303 WeakPolarHBondContact OD1-CB 3.19Å; N300-E303 WeakPolarHBondContact OD1-CG 3.38Å; N300-E303 PolarHBondContact OD1-N 3.37Å; N300-K304 PolarHBondContact O-N 3.5Å; N300-K304 VanDerWaalsContact O-N 3.1Å
301E80.6Confident77.2Confident160 Ų16062.2 Ų62.275%0.74832%0.319SS*.Hα-helixtrans-59.6-28.4-178.8-64.1-166.9156.400112.6Y305E301-Y305 VanDerWaalsContact O-CB 3.28Å; E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.37Å
302I80.2Confident76.7Confident30 Ų3067.3 Ų67.315%0.15434%0.343CS..Hα-helixtrans-67.2-49.9178.5-60.4166.9000111.2V234 S237 C241 N300 Y305 A306V234-I302 HydrophobicContact CG1-CG2 4.27Å; V234-I302 HydrophobicContact CG2-CG2 4.46Å; S237-I302 VanDerWaalsContact CB-CG2 3.46Å; C241-I302 HydrophobicContact CB-CD1 3.93Å; N300-I302 PolarHBondContact O-N 2.85Å; N300-I302 VanDerWaalsContact O-N 3.16Å; I302-Y305 PolarHBondContact O-N 3.06Å; I302-A306 WeakPolarHBondContact O-CB 3.36Å; I302-A306 PolarHBondContact O-N 3.13Å
303E77.2Confident76.4Confident26 Ų2666.4 Ų66.412%0.12134%0.341CS..Hα-helixtrans-64.7-42.6177-78.6175.2-176.700110.9R221 N299 N300 Y305 A306 D307R221-E303 WeakPolarHBondContact CD-OE1 3.2Å; R221-E303 IonicContact CZ-OE1 2.65Å; R221-E303 IonicContact NE-OE1 3.63Å; R221-E303 IonicContact NH1-OE1 2.96Å; R221-E303 PolarHBondContact NH1-OE1 3.43Å; N299-E303 PolarHBondContact N-OE2 2.96Å; N300-E303 PolarHBondContact O-N 3.07Å; N300-E303 WeakPolarHBondContact OD1-CB 3.19Å; N300-E303 WeakPolarHBondContact OD1-CG 3.38Å; N300-E303 PolarHBondContact OD1-N 3.37Å; E303-Y305 VanDerWaalsContact C-N 3.32Å; E303-Y305 PolarHBondContact O-N 3.19Å; E303-A306 PolarHBondContact O-N 3.16Å; E303-A306 VanDerWaalsContact O-N 3.16Å; E303-D307 PolarHBondContact O-N 2.98Å
304K80.1Confident75.9Confident129 Ų12965.6 Ų65.656%0.56134%0.34SS*.Hα-helixtrans-59.9-41.9175.7-73.5174.8-179.6157.20112.3N299 N300 S308N299-K304 WeakPolarHBondContact O-CE 3.39Å; N299-K304 PolarHBondContact O-NZ 3.28Å; N300-K304 PolarHBondContact O-N 3.5Å; N300-K304 VanDerWaalsContact O-N 3.1Å; K304-S308 WeakPolarHBondContact O-CB 3.27Å; K304-S308 PolarHBondContact O-N 3.31Å; K304-S308 VanDerWaalsContact O-N 3.07Å
305Y80.5Confident75.7Confident137 Ų13765.6 Ų65.654%0.53734%0.343SS..Hα-helixtrans-65.4-43.1175.8-176.6-90.9000111.2F233 E301 I302 E303 S308 Y309F233-Y305 AromaticContact CE1-CD1 3.6Å; F233-Y305 HydrophobicContact CE1-CD1 3.6Å; F233-Y305 AromaticContact CE1-CE1 3.98Å; F233-Y305 HydrophobicContact CE1-CE1 3.98Å; F233-Y305 HydrophobicContact CE2-CE1 4.39Å; F233-Y305 AromaticContact CZ-CD1 3.61Å; F233-Y305 HydrophobicContact CZ-CD1 3.61Å; F233-Y305 AromaticContact CZ-CE1 3.59Å; F233-Y305 HydrophobicContact CZ-CE1 3.59Å; E301-Y305 VanDerWaalsContact O-CB 3.28Å; E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.37Å; I302-Y305 PolarHBondContact O-N 3.06Å; E303-Y305 VanDerWaalsContact C-N 3.32Å; E303-Y305 PolarHBondContact O-N 3.19Å; Y305-S308 PolarHBondContact O-N 3.46Å; Y305-Y309 WeakPolarHBondContact O-CB 3.47Å; Y305-Y309 PolarHBondContact O-N 3.13Å
306A76.1Confident75.1Confident0 Ų068 Ų680%036%0.362CS..Hα-helixtrans-64.2-46.4178.500000112.4L230 F233 V234 I302 E303 S308 Y309 G310L230-A306 HydrophobicContact CD1-CB 3.83Å; L230-A306 WeakPolarHBondContact CD1-O 3.43Å; L230-A306 HydrophobicContact CD2-CB 4.37Å; L230-A306 HydrophobicContact CG-CB 4Å; F233-A306 HydrophobicContact CD1-CB 4.49Å; V234-A306 HydrophobicContact CG2-CB 3.21Å; I302-A306 WeakPolarHBondContact O-CB 3.36Å; I302-A306 PolarHBondContact O-N 3.13Å; E303-A306 PolarHBondContact O-N 3.16Å; E303-A306 VanDerWaalsContact O-N 3.16Å; A306-S308 VanDerWaalsContact C-N 3.29Å; A306-S308 PolarHBondContact O-N 3.16Å; A306-Y309 PolarHBondContact O-N 3Å; A306-G310 PolarHBondContact O-N 2.79Å
307D76.2Confident75Confident97 Ų9770 Ų7052%0.51936%0.364SS..Hα-helixtrans-61-40.3175.7-76.7-15.8000111.5E303 S311E303-D307 PolarHBondContact O-N 2.98Å; D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 3.23Å; D307-S311 PolarHBondContact O-OG 3.23Å
308S77.1Confident75.1Confident63 Ų6372.4 Ų72.444%0.44137%0.374SS..Hα-helixtrans-62.3-44.2174.5-1730000111.9K304 Y305 A306 S311 Q312K304-S308 WeakPolarHBondContact O-CB 3.27Å; K304-S308 PolarHBondContact O-N 3.31Å; K304-S308 VanDerWaalsContact O-N 3.07Å; Y305-S308 PolarHBondContact O-N 3.46Å; A306-S308 VanDerWaalsContact C-N 3.29Å; A306-S308 PolarHBondContact O-N 3.16Å; S308-S311 PolarHBondContact O-OG 3.46Å; S308-Q312 WeakPolarHBondContact O-CG 3.33Å; S308-Q312 PolarHBondContact O-N 2.88Å
309Y76.5Confident75.3Confident74 Ų7473.9 Ų73.929%0.2937%0.374SS..Hα-helixtrans-70-44.9-179.9-171.7-94.7000112.6M229 L230 Y305 A306 S311 Q312 L313M229-Y309 HydrophobicContact CE-CE1 3.88Å; M229-Y309 HydrophobicContact SD-CD1 4.48Å; M229-Y309 HydrophobicContact SD-CE1 3.61Å; L230-Y309 HydrophobicContact CD1-CD1 4.08Å; Y305-Y309 WeakPolarHBondContact O-CB 3.47Å; Y305-Y309 PolarHBondContact O-N 3.13Å; A306-Y309 PolarHBondContact O-N 3Å; Y309-S311 VanDerWaalsContact C-N 3.29Å; Y309-S311 PolarHBondContact O-N 3.13Å; Y309-Q312 WeakPolarHBondContact O-CB 3.43Å; Y309-Q312 PolarHBondContact O-N 2.97Å; Y309-L313 HydrophobicContact CE1-CD1 4.12Å; Y309-L313 PolarHBondContact O-N 3.4Å
310G71.8Confident75.3Confident6 Ų669.7 Ų69.76%0.06235%0.352CS..Hα-helixtrans-61.7-36.9176.600000112.2A306 Q312 L313 A314A306-G310 PolarHBondContact O-N 2.79Å; G310-Q312 VanDerWaalsContact C-N 3.27Å; G310-Q312 PolarHBondContact O-N 3.47Å; G310-L313 PolarHBondContact O-N 2.63Å; G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.44Å
311S73.2Confident75Confident61 Ų6174.9 Ų74.943%0.42738%0.375SS..Hα-helixtrans-61.3-35.7173.376.70000112.8D307 S308 Y309 I315D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 3.23Å; D307-S311 PolarHBondContact O-OG 3.23Å; S308-S311 PolarHBondContact O-OG 3.46Å; Y309-S311 VanDerWaalsContact C-N 3.29Å; Y309-S311 PolarHBondContact O-N 3.13Å; S311-I315 VanDerWaalsContact O-CD1 3.29Å; S311-I315 WeakPolarHBondContact O-CD1 3.25Å; S311-I315 WeakPolarHBondContact O-CG1 3.46Å; S311-I315 PolarHBondContact O-N 2.91Å
312Q74.5Confident74.7Confident117 Ų11771.4 Ų71.455%0.54736%0.359SS..Hα-helixtrans-73.1-37.6176.9-66.6175.241.100112.1S308 Y309 G310 I315 A316S308-Q312 WeakPolarHBondContact O-CG 3.33Å; S308-Q312 PolarHBondContact O-N 2.88Å; Y309-Q312 WeakPolarHBondContact O-CB 3.43Å; Y309-Q312 PolarHBondContact O-N 2.97Å; G310-Q312 VanDerWaalsContact C-N 3.27Å; G310-Q312 PolarHBondContact O-N 3.47Å; Q312-I315 PolarHBondContact O-N 3.44Å; Q312-A316 PolarHBondContact O-N 2.83Å
313L71.2Confident74.1Confident33 Ų3373 Ų7317%0.17337%0.367CS..Hα-helixtrans-65.1-46177.3-148.787.5000111.3E227 M229 Y309 G310 I315 A316 E317E227-L313 WeakPolarHBondContact OE2-CD2 3.29Å; M229-L313 HydrophobicContact CE-CD1 3.69Å; M229-L313 HydrophobicContact CE-CD2 3.77Å; M229-L313 HydrophobicContact CE-CG 4.4Å; Y309-L313 HydrophobicContact CE1-CD1 4.12Å; Y309-L313 PolarHBondContact O-N 3.4Å; G310-L313 PolarHBondContact O-N 2.63Å; L313-I315 VanDerWaalsContact C-N 3.3Å; L313-I315 PolarHBondContact O-N 3.31Å; L313-A316 WeakPolarHBondContact O-CB 3.4Å; L313-A316 PolarHBondContact O-N 2.91Å; L313-A316 VanDerWaalsContact O-N 3.09Å; L313-E317 PolarHBondContact O-N 3.04Å
314A69Low73.7Confident46 Ų4672.7 Ų72.738%0.3837%0.369SS..Hα-helixtrans-61.3-38.6176.800000112.5G310 D318G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.44Å; A314-D318 PolarHBondContact O-N 3.48Å; A314-D318 VanDerWaalsContact O-N 3.11Å
315I76.8Confident73.2Confident94 Ų9469.7 Ų69.748%0.48237%0.368SS..Hα-helixtrans-60.2-52.2171.7-71.2165.1000109.1S311 Q312 L313 E317 D318 W319S311-I315 VanDerWaalsContact O-CD1 3.29Å; S311-I315 WeakPolarHBondContact O-CD1 3.25Å; S311-I315 WeakPolarHBondContact O-CG1 3.46Å; S311-I315 PolarHBondContact O-N 2.91Å; Q312-I315 PolarHBondContact O-N 3.44Å; L313-I315 VanDerWaalsContact C-N 3.3Å; L313-I315 PolarHBondContact O-N 3.31Å; I315-E317 VanDerWaalsContact C-N 3.31Å; I315-E317 PolarHBondContact O-N 3.3Å; I315-D318 PolarHBondContact O-N 2.91Å; I315-W319 PolarHBondContact O-N 2.82Å
316A70.4Confident72.5Confident50 Ų5069 Ų6941%0.41337%0.37SS..Hα-helixtrans-57-42.2-178.700000112.9Q312 L313 W319 T320Q312-A316 PolarHBondContact O-N 2.83Å; L313-A316 WeakPolarHBondContact O-CB 3.4Å; L313-A316 PolarHBondContact O-N 2.91Å; L313-A316 VanDerWaalsContact O-N 3.09Å; A316-W319 PolarHBondContact O-N 2.92Å; A316-T320 WeakPolarHBondContact O-CG2 3.5Å; A316-T320 PolarHBondContact O-N 3.37Å
317E70.6Confident71.9Confident71 Ų7171 Ų7133%0.33238%0.379SS..Hα-helixtrans-63.9-47177.7-163.8-168.4168.300111.9L313 I315 W319 T320 K321L313-E317 PolarHBondContact O-N 3.04Å; I315-E317 VanDerWaalsContact C-N 3.31Å; I315-E317 PolarHBondContact O-N 3.3Å; E317-W319 VanDerWaalsContact C-N 3.34Å; E317-W319 PolarHBondContact O-N 3.35Å; E317-T320 PolarHBondContact O-N 3.25Å; E317-T320 VanDerWaalsContact O-N 3.16Å; E317-T320 PolarHBondContact O-OG1 3.3Å; E317-K321 PolarHBondContact O-N 2.91Å; E317-K321 VanDerWaalsContact O-N 3.07Å; E317-K321 VanDerWaalsContact OE1-CE 3.23Å; E317-K321 WeakPolarHBondContact OE1-CE 3.32Å; E317-K321 IonicContact OE1-NZ 3.34Å; E317-K321 PolarHBondContact OE1-NZ 2.96Å
318D75.2Confident71.1Confident89 Ų8974.4 Ų74.448%0.47639%0.389SS..Hα-helixtrans-62.4-42.2178.9-166.628.8000111.4A314 I315 T320 K321 Q322A314-D318 PolarHBondContact O-N 3.48Å; A314-D318 VanDerWaalsContact O-N 3.11Å; I315-D318 PolarHBondContact O-N 2.91Å; D318-T320 VanDerWaalsContact C-N 3.33Å; D318-T320 PolarHBondContact O-N 2.97Å; D318-K321 PolarHBondContact O-N 3.12Å; D318-Q322 WeakPolarHBondContact O-CG 3.03Å; D318-Q322 PolarHBondContact O-N 3.43Å; D318-Q322 PolarHBondContact OD1-NE2 3.1Å; D318-Q322 VanDerWaalsContact OD1-NE2 3.17Å; D318-Q322 PolarHBondContact OD2-NE2 2.87Å
319W75.3Confident70.2Confident155 Ų15576 Ų7659%0.58740%0.396SS*.Hα-helixtrans-57.1-44.4172.6-87.593.7000112.3I315 A316 E317 K321 Q322 L323I315-W319 PolarHBondContact O-N 2.82Å; A316-W319 PolarHBondContact O-N 2.92Å; E317-W319 VanDerWaalsContact C-N 3.34Å; E317-W319 PolarHBondContact O-N 3.35Å; W319-K321 PolarHBondContact O-N 3.28Å; W319-Q322 PolarHBondContact O-N 3.17Å; W319-L323 WeakPolarHBondContact O-CB 3.48Å; W319-L323 PolarHBondContact O-N 3.47Å
320T71.6Confident69.4Low19 Ų1976.1 Ų76.112%0.11742%0.42CS..Hα-helixtrans-67.6-36-179.1660000112.8M158 V162 A316 E317 D318 A324M158-T320 HydrophobicContact CG-CG2 4.39Å; V162-T320 HydrophobicContact CG2-CG2 3.72Å; A316-T320 WeakPolarHBondContact O-CG2 3.5Å; A316-T320 PolarHBondContact O-N 3.37Å; E317-T320 PolarHBondContact O-N 3.25Å; E317-T320 VanDerWaalsContact O-N 3.16Å; E317-T320 PolarHBondContact O-OG1 3.3Å; D318-T320 VanDerWaalsContact C-N 3.33Å; D318-T320 PolarHBondContact O-N 2.97Å; T320-A324 PolarHBondContact O-N 2.89Å; T320-A324 VanDerWaalsContact O-N 3.14Å
321K71.2Confident68.8Low115 Ų11579.1 Ų79.150%0.543%0.433SS..Hα-helixtrans-70-42.8177-74177.7-175.41640111.9E317 D318 W319 A324 A325E317-K321 PolarHBondContact O-N 2.91Å; E317-K321 VanDerWaalsContact O-N 3.07Å; E317-K321 VanDerWaalsContact OE1-CE 3.23Å; E317-K321 WeakPolarHBondContact OE1-CE 3.32Å; E317-K321 IonicContact OE1-NZ 3.34Å; E317-K321 PolarHBondContact OE1-NZ 2.96Å; D318-K321 PolarHBondContact O-N 3.12Å; W319-K321 PolarHBondContact O-N 3.28Å; K321-A324 PolarHBondContact O-N 3.1Å; K321-A325 PolarHBondContact O-N 3.14Å; K321-A325 VanDerWaalsContact O-N 3.13Å
322Q73.2Confident68.1Low88 Ų8885.3 Ų85.341%0.41146%0.456SS..Hα-helixtrans-61.5-46.1176.1-71.717524.800110.8D318 W319 A324 A325 E326D318-Q322 WeakPolarHBondContact O-CG 3.03Å; D318-Q322 PolarHBondContact O-N 3.43Å; D318-Q322 PolarHBondContact OD1-NE2 3.1Å; D318-Q322 VanDerWaalsContact OD1-NE2 3.17Å; D318-Q322 PolarHBondContact OD2-NE2 2.87Å; W319-Q322 PolarHBondContact O-N 3.17Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.44Å; Q322-A325 PolarHBondContact O-N 2.9Å; Q322-A325 VanDerWaalsContact O-N 3.1Å; Q322-E326 WeakPolarHBondContact O-CG 3.42Å; Q322-E326 PolarHBondContact O-N 3.13Å
323L69Low67.5Low62 Ų6284.9 Ų84.933%0.32545%0.45SS..Hα-helixtrans-57.4-44.9177.4-160.790.6000112.3W319 A325 E326 F327W319-L323 WeakPolarHBondContact O-CB 3.48Å; W319-L323 PolarHBondContact O-N 3.47Å; L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.85Å; L323-E326 PolarHBondContact O-N 3.34Å; L323-F327 HydrophobicContact CD1-CE2 3.8Å; L323-F327 HydrophobicContact CD2-CD2 4.44Å; L323-F327 HydrophobicContact CD2-CE2 4.1Å; L323-F327 HydrophobicContact CG-CD2 3.92Å; L323-F327 HydrophobicContact CG-CE2 3.58Å; L323-F327 WeakPolarHBondContact O-CD2 3.42Å; L323-F327 PolarHBondContact O-N 3.01Å
324A68.1Low67Low20 Ų2091.2 Ų91.217%0.16548%0.476CS..Hα-helixtrans-66.5-30.6178.900000113.2G155 P159 T320 K321 Q322G155-A324 WeakPolarHBondContact O-CB 3.19Å; P159-A324 HydrophobicContact CG-CB 4.15Å; T320-A324 PolarHBondContact O-N 2.89Å; T320-A324 VanDerWaalsContact O-N 3.14Å; K321-A324 PolarHBondContact O-N 3.1Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.44Å
325A69.3Low66.6Low67 Ų6792.4 Ų92.455%0.55448%0.478SS*.Hα-helixtrans-74.6-40.817700000112K321 Q322 L323 F327 K328K321-A325 PolarHBondContact O-N 3.14Å; K321-A325 VanDerWaalsContact O-N 3.13Å; Q322-A325 PolarHBondContact O-N 2.9Å; Q322-A325 VanDerWaalsContact O-N 3.1Å; L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.85Å; A325-F327 VanDerWaalsContact C-N 3.29Å; A325-F327 PolarHBondContact O-N 3.37Å; A325-K328 PolarHBondContact O-N 3.26Å
326E65.8Low65.7Low122 Ų12293.5 Ų93.557%0.5749%0.485SS*.Hα-helixtrans-67.3-27.9-179.7-71.9-178.8172.500113Q322 L323 K328Q322-E326 WeakPolarHBondContact O-CG 3.42Å; Q322-E326 PolarHBondContact O-N 3.13Å; L323-E326 PolarHBondContact O-N 3.34Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 3.48Å
327F63.4Low65Low42 Ų4295.9 Ų95.918%0.18449%0.486CS..THydrogen-bonded Turntrans-86.612.2-179.6-73-54.7000116S151 L323 A325 V329 M511S151-F327 WeakPolarHBondContact OG-CD1 3.33Å; S151-F327 WeakPolarHBondContact OG-CE1 3.21Å; S151-F327 WeakPolarHBondContact OG-CZ 3.39Å; L323-F327 HydrophobicContact CD1-CE2 3.8Å; L323-F327 HydrophobicContact CD2-CD2 4.44Å; L323-F327 HydrophobicContact CD2-CE2 4.1Å; L323-F327 HydrophobicContact CG-CD2 3.92Å; L323-F327 HydrophobicContact CG-CE2 3.58Å; L323-F327 WeakPolarHBondContact O-CD2 3.42Å; L323-F327 PolarHBondContact O-N 3.01Å; A325-F327 VanDerWaalsContact C-N 3.29Å; A325-F327 PolarHBondContact O-N 3.37Å; F327-V329 PolarHBondContact O-N 2.94Å; F327-V329 VanDerWaalsContact O-N 3.08Å; F327-M511 HydrophobicContact CE1-CE 4.3Å; F327-M511 HydrophobicContact CE1-SD 3.74Å; F327-M511 HydrophobicContact CE2-SD 4.18Å; F327-M511 HydrophobicContact CZ-CE 4.1Å; F327-M511 HydrophobicContact CZ-SD 3.27Å; F327-M511 WeakPolarHBondContact CZ-SD 3.47Å
328K59.9Low64.3Low168 Ų16897.6 Ų97.673%0.7350%0.504SS*.  trans-82.357.6168.7-79-174.7175.8177.10112.2A325 E326A325-K328 PolarHBondContact O-N 3.26Å; E326-K328 VanDerWaalsContact C-N 3.34Å; E326-K328 PolarHBondContact O-N 3.48Å
329V58.7Low63.3Low98 Ų98101.3 Ų101.359%0.59452%0.516SS*.  trans-99.1115.2178.7-168.10000110.3F327 I331F327-V329 PolarHBondContact O-N 2.94Å; F327-V329 VanDerWaalsContact O-N 3.08Å; V329-I331 HydrophobicContact CG1-CD1 4.27Å; V329-I331 HydrophobicContact CG1-CG1 3.6Å
330G58.2Low62.2Low76 Ų76102.8 Ų102.878%0.78453%0.529SS*.  trans-97.897.7167.900000110.2
331I60.1Low61.4Low68 Ų68109.4 Ų109.435%0.34956%0.556SS.*  trans-86.1116.3-179-53176.1000109L144 L145 A148 V329L144-I331 HydrophobicContact CD2-CD1 4.34Å; L145-I331 HydrophobicContact CD2-CB 3.47Å; L145-I331 VanDerWaalsContact CD2-CB 3.47Å; L145-I331 HydrophobicContact CD2-CD1 4.18Å; L145-I331 HydrophobicContact CD2-CG1 4.37Å; L145-I331 HydrophobicContact CD2-CG2 3.48Å; L145-I331 VanDerWaalsContact CD2-CG2 3.48Å; A148-I331 HydrophobicContact CB-CD1 3.76Å; V329-I331 HydrophobicContact CG1-CD1 4.27Å; V329-I331 HydrophobicContact CG1-CG1 3.6Å
332Q58.6Low60.7Low192 Ų192109.6 Ų109.690%0.89757%0.569SS**  trans-114.7132.9168.7-68.2-177-9.700109
333Y62.9Low59.9Low108 Ų108112.4 Ų112.442%0.42459%0.587SS.*  trans-127.4144.2174.873.9-78.1000110.2M141 L145 V335M141-Y333 HydrophobicContact CG-CD1 4.02Å; M141-Y333 HydrophobicContact CG-CD2 4.22Å; M141-Y333 HydrophobicContact CG-CE1 4.01Å; M141-Y333 HydrophobicContact CG-CE2 4.18Å; M141-Y333 HydrophobicContact CG-CG 4.14Å; L145-Y333 HydrophobicContact CD1-CD1 3.75Å; L145-Y333 HydrophobicContact CD1-CE1 3.36Å; Y333-V335 HydrophobicContact CD2-CG2 3.71Å; Y333-V335 HydrophobicContact CE2-CG2 3.77Å
334K59.6Low59.5Low165 Ų165115.8 Ų115.872%0.71761%0.605SS**  trans-123.1121.1174.6-171.9-176.2-175.1-125.90108.1D336K334-D336 WeakPolarHBondContact CE-OD1 3.32Å; K334-D336 IonicContact NZ-OD1 3.85Å; K334-D336 PolarHBondContact NZ-OD1 2.76Å; K334-D336 IonicContact NZ-OD2 3.06Å; K334-D336 PolarHBondContact NZ-OD2 3.17Å
335V61Low59.3Low71 Ų71118.2 Ų118.243%0.4362%0.617SS.*  trans-98.8105.5173.6-172.90000107.9Y333 F337Y333-V335 HydrophobicContact CD2-CG2 3.71Å; Y333-V335 HydrophobicContact CE2-CG2 3.77Å; V335-F337 HydrophobicContact CB-CE2 4.15Å; V335-F337 HydrophobicContact CB-CZ 4.08Å; V335-F337 HydrophobicContact CG1-CD1 4.15Å; V335-F337 HydrophobicContact CG1-CD2 4.42Å; V335-F337 HydrophobicContact CG1-CE1 3.65Å; V335-F337 HydrophobicContact CG1-CE2 3.96Å; V335-F337 HydrophobicContact CG1-CZ 3.55Å; V335-F337 PolarHBondContact O-N 2.53Å
336D57.5Low59.4Low117 Ų117117.8 Ų117.863%0.62661%0.608SS**  trans-84.3105.1173.9-77.6-32000109.3K334 P338K334-D336 WeakPolarHBondContact CE-OD1 3.32Å; K334-D336 IonicContact NZ-OD1 3.85Å; K334-D336 PolarHBondContact NZ-OD1 2.76Å; K334-D336 IonicContact NZ-OD2 3.06Å; K334-D336 PolarHBondContact NZ-OD2 3.17Å; D336-P338 WeakPolarHBondContact O-CD 3.46Å
337F56.5Low59.7Low101 Ų101112.9 Ų112.944%0.44359%0.585SS.*  trans-80.5122.2175.4-60.5-78.5000110.2E134 V335 F339E134-F337 HydrophobicContact CG-CE1 4.45Å; E134-F337 VanDerWaalsContact OE2-CE1 3.29Å; E134-F337 WeakPolarHBondContact OE2-CE1 2.98Å; V335-F337 HydrophobicContact CB-CE2 4.15Å; V335-F337 HydrophobicContact CB-CZ 4.08Å; V335-F337 HydrophobicContact CG1-CD1 4.15Å; V335-F337 HydrophobicContact CG1-CD2 4.42Å; V335-F337 HydrophobicContact CG1-CE1 3.65Å; V335-F337 HydrophobicContact CG1-CE2 3.96Å; V335-F337 HydrophobicContact CG1-CZ 3.55Å; V335-F337 PolarHBondContact O-N 2.53Å; F337-F339 PolarHBondContact O-N 3.26Å
338P54.9Low60.1Low107 Ų107118.1 Ų118.170%0.69561%0.61SS**THydrogen-bonded Turntrans-74.315.9-175.528.7-34.2000115.1D336D336-P338 WeakPolarHBondContact O-CD 3.46Å
339F55.3Low61Low167 Ų167115 Ų11573%0.73260%0.599SS**THydrogen-bonded Turntrans-119.98-167.6-57.5-62.2000115.9F337 K341F337-F339 PolarHBondContact O-N 3.26Å; F339-K341 PolarHBondContact O-N 2.92Å; F339-K341 VanDerWaalsContact O-N 3.11Å
340H50.7Low61.9Low185 Ų185114.3 Ų114.386%0.85659%0.59SS**  trans-82.490.9175.1-132.867.8000110.7
341K56Low62.7Low159 Ų159113.8 Ų113.869%0.69157%0.568SS**  trans-108118.3166.3-73.7-171179.4-175.60109.2F339 D343 L344F339-K341 PolarHBondContact O-N 2.92Å; F339-K341 VanDerWaalsContact O-N 3.11Å; K341-D343 PolarHBondContact O-N 2.88Å; K341-L344 HydrophobicContact CB-CD1 3.89Å
342P57Low63.6Low119 Ų119114.9 Ų114.977%0.77358%0.578SS**THydrogen-bonded Turntrans-67.5-18.2-175.324.9-32.5000114L344P342-L344 VanDerWaalsContact C-N 3.3Å; P342-L344 PolarHBondContact O-N 3.3Å
343D54.8Low64.7Low147 Ų147110.8 Ų110.879%0.78656%0.561SS**THydrogen-bonded Turntrans-85.112-174.7-62.9-28.1000115.2K341 V345K341-D343 PolarHBondContact O-N 2.88Å; D343-V345 PolarHBondContact O-N 3.27Å
344L61Low65.5Low133 Ų133107.6 Ų107.670%0.69655%0.553SS**  trans-81.3102176.8-9575.9000110.8K341 P342 T346K341-L344 HydrophobicContact CB-CD1 3.89Å; P342-L344 VanDerWaalsContact C-N 3.3Å; P342-L344 PolarHBondContact O-N 3.3Å; L344-T346 PolarHBondContact O-N 2.97Å
345V64.5Low66.4Low70 Ų70108.9 Ų108.942%0.42455%0.553SS.*  trans-55123.6165.9-176.30000108.7D343 Q349 M350D343-V345 PolarHBondContact O-N 3.27Å; V345-Q349 HydrophobicContact CG1-CB 3.56Å; V345-M350 HydrophobicContact CB-CE 4.22Å; V345-M350 HydrophobicContact CB-CG 4.38Å; V345-M350 HydrophobicContact CG1-CG 3.77Å
346T72.1Confident67.4Low58 Ų58111.8 Ų111.836%0.35656%0.562SS.*  trans-65.4149.4178.861.30000110.4L344 Q348 Q349 M350L344-T346 PolarHBondContact O-N 2.97Å; T346-Q348 PolarHBondContact O-N 3.46Å; T346-Q348 VanDerWaalsContact O-N 3.11Å; T346-Q349 WeakPolarHBondContact O-CB 3.41Å; T346-Q349 PolarHBondContact O-N 2.77Å; T346-Q349 WeakPolarHBondContact OG1-CB 3.24Å; T346-Q349 VanDerWaalsContact OG1-CG 3.22Å; T346-Q349 WeakPolarHBondContact OG1-CG 3.38Å; T346-Q349 PolarHBondContact OG1-N 3.48Å; T346-Q349 PolarHBondContact OG1-OE1 3.44Å; T346-Q349 VanDerWaalsContact OG1-OE1 3.05Å; T346-M350 PolarHBondContact O-N 2.82Å
347L70.7Confident68.4Low19 Ų19108.8 Ų108.810%0.09955%0.554CS.*Hα-helixtrans-57.1-31.1178.6-64.5170.1000112.4L116 I119 D120 M350 L351L116-L347 HydrophobicContact CD2-CD2 4.37Å; I119-L347 HydrophobicContact CB-CD1 4.4Å; I119-L347 HydrophobicContact CB-CD2 3.87Å; I119-L347 HydrophobicContact CD1-CD2 4.28Å; I119-L347 HydrophobicContact CG2-CD1 3.87Å; I119-L347 HydrophobicContact CG2-CD2 3.37Å; I119-L347 HydrophobicContact CG2-CG 4.24Å; D120-L347 WeakPolarHBondContact OD1-CD1 3.41Å; L347-M350 PolarHBondContact O-N 3.33Å; L347-L351 WeakPolarHBondContact O-CG 3.39Å; L347-L351 PolarHBondContact O-N 2.89Å
348Q73.2Confident69.3Low153 Ų153105.9 Ų105.972%0.71554%0.541SS*.Hα-helixtrans-66-42.8173.7-66.6-179.9-17.600112.5T346 L351 V352T346-Q348 PolarHBondContact O-N 3.46Å; T346-Q348 VanDerWaalsContact O-N 3.11Å; Q348-L351 WeakPolarHBondContact O-CB 3.13Å; Q348-L351 PolarHBondContact O-N 3.46Å; Q348-V352 WeakPolarHBondContact O-CG2 3.3Å; Q348-V352 PolarHBondContact O-N 3.34Å; Q348-V352 VanDerWaalsContact O-N 3.15Å
349Q78.8Confident70.3Confident103 Ų103101.6 Ų101.648%0.48152%0.517SS..Hα-helixtrans-65.4-41.4175.4-75.6163.9-23.300111.4V345 T346 L351 V352 I353V345-Q349 HydrophobicContact CG1-CB 3.56Å; T346-Q349 WeakPolarHBondContact O-CB 3.41Å; T346-Q349 PolarHBondContact O-N 2.77Å; T346-Q349 WeakPolarHBondContact OG1-CB 3.24Å; T346-Q349 VanDerWaalsContact OG1-CG 3.22Å; T346-Q349 WeakPolarHBondContact OG1-CG 3.38Å; T346-Q349 PolarHBondContact OG1-N 3.48Å; T346-Q349 PolarHBondContact OG1-OE1 3.44Å; T346-Q349 VanDerWaalsContact OG1-OE1 3.05Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; Q349-L351 PolarHBondContact O-N 3.33Å; Q349-V352 PolarHBondContact O-N 2.89Å; Q349-I353 WeakPolarHBondContact O-CD1 3.38Å; Q349-I353 VanDerWaalsContact O-CG1 3.25Å; Q349-I353 WeakPolarHBondContact O-CG1 3.37Å; Q349-I353 PolarHBondContact O-N 2.99Å
350M76.3Confident71.4Confident83 Ų8395.4 Ų95.441%0.40950%0.499SS..Hα-helixtrans-59.6-44174.8-75.2-163.4-172.700112.1L116 V345 T346 L347 V352 I353 V354L116-M350 HydrophobicContact CD2-CB 3.99Å; V345-M350 HydrophobicContact CB-CE 4.22Å; V345-M350 HydrophobicContact CB-CG 4.38Å; V345-M350 HydrophobicContact CG1-CG 3.77Å; T346-M350 PolarHBondContact O-N 2.82Å; L347-M350 PolarHBondContact O-N 3.33Å; M350-V352 VanDerWaalsContact C-N 3.33Å; M350-V352 PolarHBondContact O-N 3.25Å; M350-I353 PolarHBondContact O-N 2.96Å; M350-V354 WeakPolarHBondContact O-CB 3.45Å; M350-V354 VanDerWaalsContact O-CG2 3.23Å; M350-V354 WeakPolarHBondContact O-CG2 3.36Å; M350-V354 PolarHBondContact O-N 3.47Å
351L74.8Confident72.7Confident64 Ų6490.3 Ų90.334%0.33548%0.478SS..Hα-helixtrans-56.3-45.7175.9-83165.4000112.1L116 L347 Q348 Q349 R355L116-L351 HydrophobicContact CB-CD2 4.15Å; L116-L351 HydrophobicContact CB-CG 4.45Å; L116-L351 HydrophobicContact CD1-CB 4.45Å; L116-L351 HydrophobicContact CD1-CD2 3.25Å; L116-L351 HydrophobicContact CD1-CG 3.65Å; L116-L351 HydrophobicContact CG-CD2 4.23Å; L116-L351 HydrophobicContact CG-CG 4.42Å; L347-L351 WeakPolarHBondContact O-CG 3.39Å; L347-L351 PolarHBondContact O-N 2.89Å; Q348-L351 WeakPolarHBondContact O-CB 3.13Å; Q348-L351 PolarHBondContact O-N 3.46Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; Q349-L351 PolarHBondContact O-N 3.33Å; L351-R355 WeakPolarHBondContact O-CB 3.46Å; L351-R355 PolarHBondContact O-N 3.16Å
352V80Confident73.5Confident91 Ų9184.9 Ų84.955%0.55246%0.458SS*.Hα-helixtrans-66.1-48.8-178.9173.70000110.9Q348 Q349 M350 V354 R355 E356Q348-V352 WeakPolarHBondContact O-CG2 3.3Å; Q348-V352 PolarHBondContact O-N 3.34Å; Q348-V352 VanDerWaalsContact O-N 3.15Å; Q349-V352 PolarHBondContact O-N 2.89Å; M350-V352 VanDerWaalsContact C-N 3.33Å; M350-V352 PolarHBondContact O-N 3.25Å; V352-V354 PolarHBondContact O-N 3.48Å; V352-R355 PolarHBondContact O-N 3.33Å; V352-E356 WeakPolarHBondContact O-CB 3.4Å; V352-E356 PolarHBondContact O-N 3.09Å
353I80.9Confident74.6Confident107 Ų10786.1 Ų86.155%0.54945%0.447SS..Hα-helixtrans-58.9-48.1-179-67.5164.3000110.8Q349 M350 E356 A357Q349-I353 WeakPolarHBondContact O-CD1 3.38Å; Q349-I353 VanDerWaalsContact O-CG1 3.25Å; Q349-I353 WeakPolarHBondContact O-CG1 3.37Å; Q349-I353 PolarHBondContact O-N 2.99Å; M350-I353 PolarHBondContact O-N 2.96Å; I353-E356 PolarHBondContact O-N 3.25Å; I353-A357 WeakPolarHBondContact O-CB 3.22Å; I353-A357 PolarHBondContact O-N 2.87Å; I353-A357 VanDerWaalsContact O-N 3.08Å
354V79.5Confident75.6Confident41 Ų4184.3 Ų84.325%0.24844%0.437CS..Hα-helixtrans-58.7-53.8176.4163.90000109.9T112 M350 V352 E356 A357 F358T112-V354 HydrophobicContact CG2-CB 4.23Å; T112-V354 HydrophobicContact CG2-CG1 3.41Å; T112-V354 VanDerWaalsContact CG2-CG1 3.41Å; T112-V354 HydrophobicContact CG2-CG2 3.99Å; M350-V354 WeakPolarHBondContact O-CB 3.45Å; M350-V354 VanDerWaalsContact O-CG2 3.23Å; M350-V354 WeakPolarHBondContact O-CG2 3.36Å; M350-V354 PolarHBondContact O-N 3.47Å; V352-V354 PolarHBondContact O-N 3.48Å; V354-E356 VanDerWaalsContact C-N 3.28Å; V354-E356 PolarHBondContact O-N 2.71Å; V354-A357 PolarHBondContact O-N 3.5Å; V354-F358 HydrophobicContact CG1-CD2 3.67Å; V354-F358 HydrophobicContact CG1-CE2 3.71Å; V354-F358 WeakPolarHBondContact O-CD2 3.2Å; V354-F358 PolarHBondContact O-N 2.95Å
355R79Confident76.1Confident192 Ų19280.6 Ų80.673%0.72542%0.417SS*.Hα-helixtrans-61.5-37.4-175.6-175.4175.1-177.5159.40.1112.2L351 V352 G359L351-R355 WeakPolarHBondContact O-CB 3.46Å; L351-R355 PolarHBondContact O-N 3.16Å; V352-R355 PolarHBondContact O-N 3.33Å; R355-G359 WeakPolarHBondContact O-CA 3.3Å; R355-G359 PolarHBondContact O-N 3.03Å
356E81.9Confident76.6Confident132 Ų13284.1 Ų84.162%0.61742%0.423SS*.Hα-helixtrans-67.1-46.3177.6-174.4166.1-161.200111.7V352 I353 V354 F358 G359 G360V352-E356 WeakPolarHBondContact O-CB 3.4Å; V352-E356 PolarHBondContact O-N 3.09Å; I353-E356 PolarHBondContact O-N 3.25Å; V354-E356 VanDerWaalsContact C-N 3.28Å; V354-E356 PolarHBondContact O-N 2.71Å; E356-F358 PolarHBondContact O-N 2.95Å; E356-G359 PolarHBondContact O-N 3.17Å; E356-G360 PolarHBondContact O-N 2.89Å
357A79.2Confident76.8Confident54 Ų5489.1 Ų89.145%0.44644%0.437SS..Hα-helixtrans-57.6-46.917600000111.7I353 V354 G360 I361I353-A357 WeakPolarHBondContact O-CB 3.22Å; I353-A357 PolarHBondContact O-N 2.87Å; I353-A357 VanDerWaalsContact O-N 3.08Å; V354-A357 PolarHBondContact O-N 3.5Å; A357-G360 PolarHBondContact O-N 3.08Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.36Å
358F74.4Confident76.9Confident39 Ų3992.3 Ų92.317%0.17145%0.452CS..Hα-helixtrans-71.8-34177.6-69.8-65.7000113.1I105 F108 V354 E356 G360 I361 T362I105-F358 HydrophobicContact CG2-CD1 4.45Å; F108-F358 HydrophobicContact CD1-CD1 4.27Å; F108-F358 HydrophobicContact CD1-CD2 4.29Å; F108-F358 AromaticContact CD1-CE1 3.5Å; F108-F358 HydrophobicContact CD1-CE1 3.5Å; F108-F358 AromaticContact CD1-CE2 3.58Å; F108-F358 HydrophobicContact CD1-CE2 3.58Å; F108-F358 AromaticContact CD1-CZ 3.16Å; F108-F358 HydrophobicContact CD1-CZ 3.16Å; F108-F358 HydrophobicContact CE1-CD2 4.38Å; F108-F358 AromaticContact CE1-CE1 3.75Å; F108-F358 HydrophobicContact CE1-CE1 3.75Å; F108-F358 AromaticContact CE1-CE2 3.31Å; F108-F358 HydrophobicContact CE1-CE2 3.31Å; F108-F358 AromaticContact CE1-CZ 2.93Å; F108-F358 HydrophobicContact CE1-CZ 2.93Å; F108-F358 HydrophobicContact CG-CE1 4.17Å; F108-F358 HydrophobicContact CG-CZ 4.16Å; F108-F358 HydrophobicContact CZ-CE2 4.38Å; F108-F358 AromaticContact CZ-CZ 3.74Å; F108-F358 HydrophobicContact CZ-CZ 3.74Å; V354-F358 HydrophobicContact CG1-CD2 3.67Å; V354-F358 HydrophobicContact CG1-CE2 3.71Å; V354-F358 WeakPolarHBondContact O-CD2 3.2Å; V354-F358 PolarHBondContact O-N 2.95Å; E356-F358 PolarHBondContact O-N 2.95Å; F358-G360 PolarHBondContact O-N 3.35Å; F358-I361 HydrophobicContact CD1-CD1 4.37Å; F358-I361 HydrophobicContact CE1-CD1 4.49Å; F358-I361 PolarHBondContact O-N 2.99Å; F358-T362 WeakPolarHBondContact O-CB 3.27Å; F358-T362 WeakPolarHBondContact O-CG2 3.36Å; F358-T362 PolarHBondContact O-N 3.39Å; F358-T362 PolarHBondContact O-OG1 3.45Å
359G76.9Confident76.7Confident18 Ų1885.1 Ų85.119%0.18642%0.419CS..Hα-helixtrans-62-32.8173.100000112.6R355 E356 T362 R363R355-G359 WeakPolarHBondContact O-CA 3.3Å; R355-G359 PolarHBondContact O-N 3.03Å; E356-G359 PolarHBondContact O-N 3.17Å; G359-T362 WeakPolarHBondContact CA-OG1 3.23Å; G359-T362 PolarHBondContact O-OG1 3.3Å; G359-R363 WeakPolarHBondContact O-CB 3.34Å; G359-R363 WeakPolarHBondContact O-CG 3.23Å; G359-R363 PolarHBondContact O-N 3.14Å; G359-R363 PolarHBondContact O-NE 2.94Å
360G77.7Confident76.3Confident36 Ų3684.9 Ų84.937%0.37142%0.421SS..Hα-helixtrans-68.8-48.8172.300000112.4E356 A357 F358 R363 L364E356-G360 PolarHBondContact O-N 2.89Å; A357-G360 PolarHBondContact O-N 3.08Å; F358-G360 PolarHBondContact O-N 3.35Å; G360-R363 PolarHBondContact O-N 3.13Å; G360-L364 WeakPolarHBondContact O-CB 3.31Å; G360-L364 PolarHBondContact O-N 2.88Å
361I77.9Confident76.2Confident79 Ų7986.6 Ų86.641%0.40543%0.426SS..Hα-helixtrans-63.9-45.3-178.7-64.1167.4000111.5I105 A357 F358 R363 L364 L365I105-I361 HydrophobicContact CD1-CG2 3.96Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.36Å; F358-I361 HydrophobicContact CD1-CD1 4.37Å; F358-I361 HydrophobicContact CE1-CD1 4.49Å; F358-I361 PolarHBondContact O-N 2.99Å; I361-R363 PolarHBondContact O-N 3.46Å; I361-L364 PolarHBondContact O-N 3.37Å; I361-L365 HydrophobicContact CG2-CD1 4.17Å; I361-L365 HydrophobicContact CG2-CG 4.46Å; I361-L365 WeakPolarHBondContact O-CG 3.3Å; I361-L365 PolarHBondContact O-N 2.73Å
362T73.3Confident76Confident45 Ų4585.3 Ų85.328%0.27642%0.42SS..Hα-helixtrans-63-42.3178.449.10000112.4I105 F358 G359 L365 R366I105-T362 HydrophobicContact CB-CG2 4.45Å; I105-T362 HydrophobicContact CD1-CG2 4.1Å; I105-T362 HydrophobicContact CG2-CG2 3.53Å; F358-T362 WeakPolarHBondContact O-CB 3.27Å; F358-T362 WeakPolarHBondContact O-CG2 3.36Å; F358-T362 PolarHBondContact O-N 3.39Å; F358-T362 PolarHBondContact O-OG1 3.45Å; G359-T362 WeakPolarHBondContact CA-OG1 3.23Å; G359-T362 PolarHBondContact O-OG1 3.3Å; T362-L365 PolarHBondContact O-N 3.31Å; T362-R366 WeakPolarHBondContact O-CB 3.43Å; T362-R366 PolarHBondContact O-N 3.48Å
363R79.1Confident75.3Confident144 Ų14482 Ų8254%0.54340%0.4SS..Hα-helixtrans-60.8-48173.5-83.2-177.8-87.8176-8.2110.7G359 G360 I361 L365 R366 Y367G359-R363 WeakPolarHBondContact O-CB 3.34Å; G359-R363 WeakPolarHBondContact O-CG 3.23Å; G359-R363 PolarHBondContact O-N 3.14Å; G359-R363 PolarHBondContact O-NE 2.94Å; G360-R363 PolarHBondContact O-N 3.13Å; I361-R363 PolarHBondContact O-N 3.46Å; R363-L365 PolarHBondContact O-N 3.38Å; R363-R366 PolarHBondContact O-N 3.22Å; R363-Y367 HydrophobicContact CB-CD2 4.35Å; R363-Y367 HydrophobicContact CB-CE2 4.13Å; R363-Y367 WeakPolarHBondContact O-CD2 3.33Å; R363-Y367 PolarHBondContact O-N 2.76Å
364L77.1Confident74.8Confident110 Ų11078 Ų7858%0.57638%0.382SS*.Hα-helixtrans-58.1-48177.7-177.666.6000111.6G360 I361 R366 Y367 M368G360-L364 WeakPolarHBondContact O-CB 3.31Å; G360-L364 PolarHBondContact O-N 2.88Å; I361-L364 PolarHBondContact O-N 3.37Å; L364-R366 VanDerWaalsContact C-N 3.35Å; L364-R366 PolarHBondContact O-N 3Å; L364-Y367 PolarHBondContact O-N 2.86Å; L364-M368 HydrophobicContact CD1-CG 4.4Å; L364-M368 HydrophobicContact CG-CG 4.45Å; L364-M368 WeakPolarHBondContact O-CB 3.37Å; L364-M368 VanDerWaalsContact O-CG 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.93Å
365L71.7Confident74.6Confident54 Ų5477.2 Ų77.228%0.28338%0.377SS..Hα-helixtrans-62.9-39.4178.3-74.2176.2000112.6I105 I361 T362 R363 M368 S369I105-L365 HydrophobicContact CD1-CD1 3.34Å; I361-L365 HydrophobicContact CG2-CD1 4.17Å; I361-L365 HydrophobicContact CG2-CG 4.46Å; I361-L365 WeakPolarHBondContact O-CG 3.3Å; I361-L365 PolarHBondContact O-N 2.73Å; T362-L365 PolarHBondContact O-N 3.31Å; R363-L365 PolarHBondContact O-N 3.38Å; L365-M368 PolarHBondContact O-N 3.32Å; L365-S369 WeakPolarHBondContact O-CB 3.46Å; L365-S369 PolarHBondContact O-N 3.48Å
366R73.5Confident74.3Confident144 Ų14468.3 Ų68.354%0.54335%0.345SS..Hα-helixtrans-66.3-43.5175.6-169.2-178.6-60.4169.41.9111.7T362 R363 L364 M368 S369 N370T362-R366 WeakPolarHBondContact O-CB 3.43Å; T362-R366 PolarHBondContact O-N 3.48Å; R363-R366 PolarHBondContact O-N 3.22Å; L364-R366 VanDerWaalsContact C-N 3.35Å; L364-R366 PolarHBondContact O-N 3Å; R366-M368 VanDerWaalsContact C-N 3.31Å; R366-M368 PolarHBondContact O-N 3.28Å; R366-S369 PolarHBondContact O-N 2.9Å; R366-N370 WeakPolarHBondContact O-CB 3.43Å; R366-N370 PolarHBondContact O-N 3.17Å
367Y77.4Confident73.9Confident164 Ų16464.8 Ų64.864%0.64333%0.328SS*.Hα-helixtrans-61.2-41.7173.4-74-57000111.3R363 L364 F371R363-Y367 HydrophobicContact CB-CD2 4.35Å; R363-Y367 HydrophobicContact CB-CE2 4.13Å; R363-Y367 WeakPolarHBondContact O-CD2 3.33Å; R363-Y367 PolarHBondContact O-N 2.76Å; L364-Y367 PolarHBondContact O-N 2.86Å; Y367-F371 WeakPolarHBondContact O-CB 3.34Å; Y367-F371 PolarHBondContact O-N 3.33Å
368M71.8Confident74Confident85 Ų8566.3 Ų66.342%0.41933%0.328SS..Hα-helixtrans-67-40.2176.2-72-56.8-60.300112.4L364 L365 R366 F371 L372L364-M368 HydrophobicContact CD1-CG 4.4Å; L364-M368 HydrophobicContact CG-CG 4.45Å; L364-M368 WeakPolarHBondContact O-CB 3.37Å; L364-M368 VanDerWaalsContact O-CG 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.93Å; L365-M368 PolarHBondContact O-N 3.32Å; R366-M368 VanDerWaalsContact C-N 3.31Å; R366-M368 PolarHBondContact O-N 3.28Å; M368-F371 PolarHBondContact O-N 2.93Å; M368-L372 VanDerWaalsContact O-CB 3.27Å; M368-L372 WeakPolarHBondContact O-CB 3.49Å; M368-L372 WeakPolarHBondContact O-CG 3.46Å; M368-L372 PolarHBondContact O-N 3.49Å
369S69.4Low74.2Confident3 Ų367.1 Ų67.12%0.02133%0.331CS..Hα-helixtrans-62.2-48.9174.9-178.30000110.7D98 L365 R366 F371 L372 S373D98-S369 PolarHBondContact OD1-OG 3Å; D98-S369 PolarHBondContact OD2-OG 2.93Å; L365-S369 WeakPolarHBondContact O-CB 3.46Å; L365-S369 PolarHBondContact O-N 3.48Å; R366-S369 PolarHBondContact O-N 2.9Å; S369-F371 PolarHBondContact O-N 3.26Å; S369-L372 PolarHBondContact O-N 3.45Å; S369-S373 WeakPolarHBondContact O-CB 3.46Å; S369-S373 PolarHBondContact O-N 2.9Å; S369-S373 PolarHBondContact O-OG 2.87Å
370N69.9Low74.2Confident97 Ų9767 Ų6752%0.51933%0.327SS..Hα-helixtrans-62.7-41.3175.8-73.3-8.7000112R366 S373 S374R366-N370 WeakPolarHBondContact O-CB 3.43Å; R366-N370 PolarHBondContact O-N 3.17Å; N370-S373 WeakPolarHBondContact O-CB 3.35Å; N370-S374 WeakPolarHBondContact O-CB 3.36Å; N370-S374 PolarHBondContact O-N 2.88Å
371F73.8Confident74.4Confident120 Ų12069.1 Ų69.153%0.52633%0.329SS..Hα-helixtrans-62.6-54.1176.5177.3-101000110.8Y367 M368 S369 S373 S374 V375Y367-F371 WeakPolarHBondContact O-CB 3.34Å; Y367-F371 PolarHBondContact O-N 3.33Å; M368-F371 PolarHBondContact O-N 2.93Å; S369-F371 PolarHBondContact O-N 3.26Å; F371-S373 VanDerWaalsContact C-N 3.26Å; F371-S373 PolarHBondContact O-N 3.41Å; F371-S374 WeakPolarHBondContact O-CA 3.15Å; F371-S374 WeakPolarHBondContact O-CB 3.28Å; F371-S374 PolarHBondContact O-N 2.93Å; F371-S374 PolarHBondContact O-OG 3.44Å; F371-V375 HydrophobicContact CD1-CG2 4.15Å; F371-V375 HydrophobicContact CE1-CG2 3.88Å; F371-V375 HydrophobicContact CZ-CG2 4.12Å; F371-V375 WeakPolarHBondContact O-CG2 3.41Å; F371-V375 PolarHBondContact O-N 3.26Å
372L71.1Confident74.7Confident37 Ų3769.5 Ų69.519%0.19433%0.33CS..Hα-helixtrans-57.9-40.2179.3-75.2170.5000112.2M93 M368 S369 V375M93-L372 HydrophobicContact CB-CD1 4.05Å; M368-L372 VanDerWaalsContact O-CB 3.27Å; M368-L372 WeakPolarHBondContact O-CB 3.49Å; M368-L372 WeakPolarHBondContact O-CG 3.46Å; M368-L372 PolarHBondContact O-N 3.49Å; S369-L372 PolarHBondContact O-N 3.45Å; L372-V375 PolarHBondContact O-N 2.88Å
373S66.6Low75.2Confident21 Ų2168.3 Ų68.315%0.14733%0.326CS..Hα-helixtrans-56.6-52.9171.3-75.80000110.8Q38 S369 N370 F371 V375 G376Q38-S373 PolarHBondContact OE1-O 2.95Å; S369-S373 WeakPolarHBondContact O-CB 3.46Å; S369-S373 PolarHBondContact O-N 2.9Å; S369-S373 PolarHBondContact O-OG 2.87Å; N370-S373 WeakPolarHBondContact O-CB 3.35Å; F371-S373 VanDerWaalsContact C-N 3.26Å; F371-S373 PolarHBondContact O-N 3.41Å; S373-V375 VanDerWaalsContact C-N 3.3Å; S373-V375 PolarHBondContact O-N 3.24Å; S373-G376 PolarHBondContact O-N 3.43Å; S373-G376 VanDerWaalsContact O-N 3.08Å
374S70Confident75.5Confident24 Ų2463.4 Ų63.417%0.16831%0.31CS..Hα-helixtrans-63-28.5179.978.40000114.4N370 F371 G376 F377N370-S374 WeakPolarHBondContact O-CB 3.36Å; N370-S374 PolarHBondContact O-N 2.88Å; F371-S374 WeakPolarHBondContact O-CA 3.15Å; F371-S374 WeakPolarHBondContact O-CB 3.28Å; F371-S374 PolarHBondContact O-N 2.93Å; F371-S374 PolarHBondContact O-OG 3.44Å; S374-G376 PolarHBondContact O-N 3.33Å; S374-G376 VanDerWaalsContact O-N 3.17Å; S374-F377 WeakPolarHBondContact O-CB 3.42Å; S374-F377 PolarHBondContact O-N 3.4Å; S374-F377 VanDerWaalsContact O-N 3.13Å
375V74.9Confident76Confident23 Ų2367.6 Ų67.614%0.13932%0.318CS..Hα-helixtrans-62-25.3177.1-165.90000111.2F371 L372 S373 F377 I378 F379F371-V375 HydrophobicContact CD1-CG2 4.15Å; F371-V375 HydrophobicContact CE1-CG2 3.88Å; F371-V375 HydrophobicContact CZ-CG2 4.12Å; F371-V375 WeakPolarHBondContact O-CG2 3.41Å; F371-V375 PolarHBondContact O-N 3.26Å; L372-V375 PolarHBondContact O-N 2.88Å; S373-V375 VanDerWaalsContact C-N 3.3Å; S373-V375 PolarHBondContact O-N 3.24Å; V375-F377 PolarHBondContact O-N 3.33Å; V375-I378 PolarHBondContact O-N 2.89Å; V375-F379 HydrophobicContact CB-CD2 4.3Å; V375-F379 HydrophobicContact CB-CE2 4.13Å; V375-F379 HydrophobicContact CG1-CD2 3.62Å; V375-F379 HydrophobicContact CG1-CE2 3.27Å; V375-F379 HydrophobicContact CG1-CZ 4Å; V375-F379 VanDerWaalsContact O-CD2 3.24Å; V375-F379 WeakPolarHBondContact O-CD2 3.29Å; V375-F379 PolarHBondContact O-N 2.93Å
376G72.3Confident76.8Confident6 Ų669.2 Ų69.26%0.06233%0.33CS..Hα-helixtrans-52.6-39.9174.200000113S373 S374 F379 V380S373-G376 PolarHBondContact O-N 3.43Å; S373-G376 VanDerWaalsContact O-N 3.08Å; S374-G376 PolarHBondContact O-N 3.33Å; S374-G376 VanDerWaalsContact O-N 3.17Å; G376-F379 PolarHBondContact O-N 2.99Å; G376-V380 WeakPolarHBondContact O-CG2 3.22Å; G376-V380 PolarHBondContact O-N 3.39Å
377F74.5Confident77.5Confident57 Ų5762.7 Ų62.725%0.2531%0.306CS..Hα-helixtrans-64.8-44.2175.9179.2-101.9000112.6F31 C36 F39 S374 V375 F379 V380 L381F31-F377 HydrophobicContact CE1-CE2 4.1Å; F31-F377 HydrophobicContact CE2-CD2 4.22Å; F31-F377 HydrophobicContact CE2-CE2 4.44Å; F31-F377 AromaticContact CZ-CD2 3.71Å; F31-F377 HydrophobicContact CZ-CD2 3.71Å; F31-F377 AromaticContact CZ-CE2 3.51Å; F31-F377 HydrophobicContact CZ-CE2 3.51Å; C36-F377 VanDerWaalsContact SG-CE2 3.58Å; F39-F377 HydrophobicContact CE2-CB 3.66Å; F39-F377 HydrophobicContact CE2-CD1 4.26Å; F39-F377 HydrophobicContact CE2-CD2 4.48Å; F39-F377 AromaticContact CE2-CG 3.92Å; F39-F377 HydrophobicContact CE2-CG 3.92Å; F39-F377 HydrophobicContact CZ-CB 4.14Å; F39-F377 HydrophobicContact CZ-CD1 4.44Å; F39-F377 HydrophobicContact CZ-CG 4.46Å; S374-F377 WeakPolarHBondContact O-CB 3.42Å; S374-F377 PolarHBondContact O-N 3.4Å; S374-F377 VanDerWaalsContact O-N 3.13Å; V375-F377 PolarHBondContact O-N 3.33Å; F377-F379 VanDerWaalsContact C-N 3.31Å; F377-F379 PolarHBondContact O-N 3.45Å; F377-V380 PolarHBondContact O-N 2.92Å; F377-L381 HydrophobicContact CD1-CD1 3.89Å; F377-L381 HydrophobicContact CD1-CG 4.41Å; F377-L381 HydrophobicContact CE1-CD1 3.35Å; F377-L381 HydrophobicContact CE1-CG 4.11Å; F377-L381 HydrophobicContact CZ-CD1 3.75Å; F377-L381 HydrophobicContact CZ-CD2 4.43Å; F377-L381 HydrophobicContact CZ-CG 4.2Å; F377-L381 WeakPolarHBondContact O-CG 3.4Å; F377-L381 PolarHBondContact O-N 3.35Å
378I80Confident78.2Confident86 Ų8661.3 Ų61.344%0.44130%0.301SS..Hα-helixtrans-62.3-42.5177.2-53.1179.3000109.7V375 V380 L381 M382V375-I378 PolarHBondContact O-N 2.89Å; I378-V380 PolarHBondContact O-N 3.46Å; I378-L381 PolarHBondContact O-N 3.44Å; I378-M382 HydrophobicContact CG2-CE 3.95Å; I378-M382 HydrophobicContact CG2-CG 4.37Å; I378-M382 HydrophobicContact CG2-SD 4.35Å; I378-M382 WeakPolarHBondContact O-CB 3.28Å; I378-M382 VanDerWaalsContact O-CG 3.26Å; I378-M382 WeakPolarHBondContact O-CG 2.96Å; I378-M382 PolarHBondContact O-N 2.99Å
379F78.9Confident79.1Confident56 Ų5664.4 Ų64.425%0.24631%0.312CS..Hα-helixtrans-62-40.9176.4-78.6-61.3000112.9S86 I87 V375 G376 F377 M382 A383S86-F379 WeakPolarHBondContact OG-CD1 3.41Å; I87-F379 HydrophobicContact CD1-CB 3.97Å; I87-F379 HydrophobicContact CG1-CB 3.49Å; I87-F379 VanDerWaalsContact CG1-CB 3.49Å; I87-F379 HydrophobicContact CG1-CD2 4.33Å; I87-F379 HydrophobicContact CG1-CG 4.15Å; V375-F379 HydrophobicContact CB-CD2 4.3Å; V375-F379 HydrophobicContact CB-CE2 4.13Å; V375-F379 HydrophobicContact CG1-CD2 3.62Å; V375-F379 HydrophobicContact CG1-CE2 3.27Å; V375-F379 HydrophobicContact CG1-CZ 4Å; V375-F379 VanDerWaalsContact O-CD2 3.24Å; V375-F379 WeakPolarHBondContact O-CD2 3.29Å; V375-F379 PolarHBondContact O-N 2.93Å; G376-F379 PolarHBondContact O-N 2.99Å; F377-F379 VanDerWaalsContact C-N 3.31Å; F377-F379 PolarHBondContact O-N 3.45Å; F379-M382 HydrophobicContact CB-CE 4.5Å; F379-M382 HydrophobicContact CD1-CE 3.35Å; F379-M382 HydrophobicContact CE1-CE 3.67Å; F379-M382 HydrophobicContact CG-CE 4.05Å; F379-M382 PolarHBondContact O-N 3.35Å; F379-A383 WeakPolarHBondContact O-CB 3.36Å; F379-A383 PolarHBondContact O-N 3.44Å
380V77.7Confident80.1Confident16 Ų1665.2 Ų65.210%0.09731%0.314CS..Hα-helixtrans-67.7-40.6176.4177.70000111.5F31 I87 G376 F377 I378 M382 A383 L384F31-V380 HydrophobicContact CD2-CB 4.27Å; F31-V380 HydrophobicContact CD2-CG1 3.58Å; F31-V380 HydrophobicContact CE2-CB 3.76Å; F31-V380 HydrophobicContact CE2-CG1 3.33Å; F31-V380 HydrophobicContact CE2-CG2 4.41Å; F31-V380 HydrophobicContact CZ-CG1 4.45Å; I87-V380 HydrophobicContact CD1-CG2 3.66Å; G376-V380 WeakPolarHBondContact O-CG2 3.22Å; G376-V380 PolarHBondContact O-N 3.39Å; F377-V380 PolarHBondContact O-N 2.92Å; I378-V380 PolarHBondContact O-N 3.46Å; V380-M382 VanDerWaalsContact C-N 3.34Å; V380-M382 PolarHBondContact O-N 2.92Å; V380-A383 WeakPolarHBondContact O-CB 3.36Å; V380-A383 PolarHBondContact O-N 2.84Å; V380-A383 VanDerWaalsContact O-N 3.17Å; V380-L384 HydrophobicContact CG1-CD1 4.4Å; V380-L384 WeakPolarHBondContact O-CG 3.24Å; V380-L384 PolarHBondContact O-N 2.97Å
381L81.7Confident81.1Confident80 Ų8061.1 Ų61.142%0.41929%0.292SS..Hα-helixtrans-62.1-41.7173.3-70.2-177.3000112F377 I378 A383 L384 R385F377-L381 HydrophobicContact CD1-CD1 3.89Å; F377-L381 HydrophobicContact CD1-CG 4.41Å; F377-L381 HydrophobicContact CE1-CD1 3.35Å; F377-L381 HydrophobicContact CE1-CG 4.11Å; F377-L381 HydrophobicContact CZ-CD1 3.75Å; F377-L381 HydrophobicContact CZ-CD2 4.43Å; F377-L381 HydrophobicContact CZ-CG 4.2Å; F377-L381 WeakPolarHBondContact O-CG 3.4Å; F377-L381 PolarHBondContact O-N 3.35Å; I378-L381 PolarHBondContact O-N 3.44Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.47Å; L381-L384 HydrophobicContact CD2-CD1 4.27Å; L381-L384 PolarHBondContact O-N 3.32Å; L381-R385 WeakPolarHBondContact O-CB 3.49Å; L381-R385 PolarHBondContact O-N 3.24Å
382M83.9Confident82Confident87 Ų8760 Ų6043%0.42929%0.287SS..Hα-helixtrans-63.1-38173.5-73.1-169.2-6500111.6I378 F379 V380 R385 T386I378-M382 HydrophobicContact CG2-CE 3.95Å; I378-M382 HydrophobicContact CG2-CG 4.37Å; I378-M382 HydrophobicContact CG2-SD 4.35Å; I378-M382 WeakPolarHBondContact O-CB 3.28Å; I378-M382 VanDerWaalsContact O-CG 3.26Å; I378-M382 WeakPolarHBondContact O-CG 2.96Å; I378-M382 PolarHBondContact O-N 2.99Å; F379-M382 HydrophobicContact CB-CE 4.5Å; F379-M382 HydrophobicContact CD1-CE 3.35Å; F379-M382 HydrophobicContact CE1-CE 3.67Å; F379-M382 HydrophobicContact CG-CE 4.05Å; F379-M382 PolarHBondContact O-N 3.35Å; V380-M382 VanDerWaalsContact C-N 3.34Å; V380-M382 PolarHBondContact O-N 2.92Å; M382-R385 PolarHBondContact O-N 2.92Å; M382-T386 VanDerWaalsContact O-CB 3.25Å; M382-T386 WeakPolarHBondContact O-CB 3.29Å; M382-T386 PolarHBondContact O-N 3.45Å; M382-T386 PolarHBondContact O-OG1 3.29Å
383A83.7Confident82.9Confident21 Ų2160.1 Ų60.117%0.17429%0.289CS..Hα-helixtrans-65.7-45.6174.800000111.3F379 V380 L381 R385 T386 N387F379-A383 WeakPolarHBondContact O-CB 3.36Å; F379-A383 PolarHBondContact O-N 3.44Å; V380-A383 WeakPolarHBondContact O-CB 3.36Å; V380-A383 PolarHBondContact O-N 2.84Å; V380-A383 VanDerWaalsContact O-N 3.17Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.47Å; A383-R385 PolarHBondContact O-N 3.49Å; A383-T386 PolarHBondContact O-N 2.9Å; A383-N387 VanDerWaalsContact O-CB 3.28Å; A383-N387 WeakPolarHBondContact O-CB 3.1Å; A383-N387 VanDerWaalsContact O-CG 3.29Å; A383-N387 PolarHBondContact O-N 3.21Å; A383-N387 PolarHBondContact O-ND2 3.45Å
384L85.3Confident84Confident40 Ų4059.2 Ų59.221%0.20928%0.283CS..Hα-helixtrans-56.1-49.5173.7-73.3168.9000111.1T75 V380 L381 T386 N387 Y388T75-L384 HydrophobicContact CG2-CD2 3.7Å; T75-L384 HydrophobicContact CG2-CG 4.39Å; V380-L384 HydrophobicContact CG1-CD1 4.4Å; V380-L384 WeakPolarHBondContact O-CG 3.24Å; V380-L384 PolarHBondContact O-N 2.97Å; L381-L384 HydrophobicContact CD2-CD1 4.27Å; L381-L384 PolarHBondContact O-N 3.32Å; L384-T386 PolarHBondContact O-N 2.89Å; L384-N387 PolarHBondContact O-N 3.06Å; L384-Y388 VanDerWaalsContact O-CB 3.28Å; L384-Y388 WeakPolarHBondContact O-CB 3.28Å; L384-Y388 PolarHBondContact O-N 3.33Å
385R88.7Confident84.9Confident199 Ų19960.6 Ų60.675%0.75129%0.286SS*.Hα-helixtrans-61.4-45.2178.1-178-179.6173.296.3-3.1112.3L381 M382 A383 Y388 K389L381-R385 WeakPolarHBondContact O-CB 3.49Å; L381-R385 PolarHBondContact O-N 3.24Å; M382-R385 PolarHBondContact O-N 2.92Å; A383-R385 PolarHBondContact O-N 3.49Å; R385-Y388 PolarHBondContact O-N 3.22Å; R385-K389 WeakPolarHBondContact O-CB 3.39Å; R385-K389 PolarHBondContact O-N 3.41Å
386T87.2Confident85.6Confident88 Ų8865.5 Ų65.554%0.5431%0.308SS..Hα-helixtrans-65.8-43.4-178.7-600000111.1M382 A383 L384 K389 W390M382-T386 VanDerWaalsContact O-CB 3.25Å; M382-T386 WeakPolarHBondContact O-CB 3.29Å; M382-T386 PolarHBondContact O-N 3.45Å; M382-T386 PolarHBondContact O-OG1 3.29Å; A383-T386 PolarHBondContact O-N 2.9Å; L384-T386 PolarHBondContact O-N 2.89Å; T386-K389 PolarHBondContact O-N 3.21Å; T386-W390 WeakPolarHBondContact O-CB 3.24Å; T386-W390 PolarHBondContact O-N 2.82Å
387N88.8Confident86.5Confident6 Ų668 Ų683%0.03232%0.32CS..Hα-helixtrans-70.9-36.3178.5-73.2-50.8000112.6V71 I74 T75 T78 A383 L384 W390 F391V71-N387 HydrophobicContact CG1-CB 4.45Å; I74-N387 HydrophobicContact CG2-CB 4.09Å; I74-N387 VanDerWaalsContact CG2-OD1 3.28Å; I74-N387 WeakPolarHBondContact CG2-OD1 3.02Å; T75-N387 HydrophobicContact CG2-CB 3.57Å; T75-N387 WeakPolarHBondContact CG2-ND2 3.31Å; T78-N387 WeakPolarHBondContact CG2-ND2 3.18Å; T78-N387 WeakPolarHBondContact CG2-OD1 3.44Å; T78-N387 PolarHBondContact OG1-ND2 3.38Å; A383-N387 VanDerWaalsContact O-CB 3.28Å; A383-N387 WeakPolarHBondContact O-CB 3.1Å; A383-N387 VanDerWaalsContact O-CG 3.29Å; A383-N387 PolarHBondContact O-N 3.21Å; A383-N387 PolarHBondContact O-ND2 3.45Å; L384-N387 PolarHBondContact O-N 3.06Å; N387-W390 PolarHBondContact O-N 3.35Å; N387-F391 VanDerWaalsContact O-CB 3.28Å; N387-F391 WeakPolarHBondContact O-CB 3.41Å; N387-F391 PolarHBondContact O-N 2.93Å
388Y91.4Very high87.1Confident135 Ų13567.4 Ų67.453%0.52932%0.319SS..Hα-helixtrans-61.9-45.4170.8177.4-106.3000111.4V71 L384 R385 F391 K392V71-Y388 HydrophobicContact CG2-CD2 4.28Å; L384-Y388 VanDerWaalsContact O-CB 3.28Å; L384-Y388 WeakPolarHBondContact O-CB 3.28Å; L384-Y388 PolarHBondContact O-N 3.33Å; R385-Y388 PolarHBondContact O-N 3.22Å; Y388-F391 PolarHBondContact O-N 3.22Å; Y388-K392 WeakPolarHBondContact O-CB 3.46Å; Y388-K392 PolarHBondContact O-N 2.86Å
389K91.9Very high87.4Confident150 Ų15066.7 Ų66.765%0.65232%0.319SS*.Hα-helixtrans-60-47.4175.3-173.9179.5179.4-179.20111.2R385 T386 F391 K392 T393R385-K389 WeakPolarHBondContact O-CB 3.39Å; R385-K389 PolarHBondContact O-N 3.41Å; T386-K389 PolarHBondContact O-N 3.21Å; K389-F391 VanDerWaalsContact C-N 3.34Å; K389-F391 PolarHBondContact O-N 3.3Å; K389-K392 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-N 3.23Å; K389-T393 PolarHBondContact O-OG1 2.97Å; K389-T393 VanDerWaalsContact O-OG1 3.06Å
390W90.9Very high87.7Confident20 Ų2066.3 Ų66.38%0.07632%0.318CS..Hα-helixtrans-58.9-44.9176.3179.693.1000111.7I74 T386 N387 T393 F394 H400 E401 R570 V571 A574I74-W390 HydrophobicContact CD1-CE3 4.1Å; I74-W390 HydrophobicContact CD1-CZ3 3.71Å; T386-W390 WeakPolarHBondContact O-CB 3.24Å; T386-W390 PolarHBondContact O-N 2.82Å; N387-W390 PolarHBondContact O-N 3.35Å; W390-T393 PolarHBondContact O-N 3.49Å; W390-F394 HydrophobicContact CH2-CB 4.34Å; W390-F394 AromaticContact CH2-CD2 3.89Å; W390-F394 HydrophobicContact CH2-CD2 3.89Å; W390-F394 HydrophobicContact CH2-CG 4.25Å; W390-F394 HydrophobicContact CZ2-CD2 4.31Å; W390-F394 HydrophobicContact CZ3-CB 4.29Å; W390-F394 HydrophobicContact CZ3-CG 4.44Å; W390-F394 WeakPolarHBondContact O-CB 3.02Å; W390-F394 PolarHBondContact O-N 3.04Å; W390-H400 AromaticContact CD1-CE1 3.6Å; W390-H400 AromaticContact NE1-CE1 3.49Å; W390-H400 PolarHBondContact NE1-CE1 2.89Å; W390-E401 PolarHBondContact NE1-OE2 3.31Å; W390-R570 HydrophobicContact CH2-CB 4.49Å; W390-R570 HydrophobicContact CH2-CG 3.7Å; W390-R570 HydrophobicContact CZ2-CG 3.62Å; W390-R570 HydrophobicContact CZ3-CG 4.24Å; W390-V571 HydrophobicContact CH2-CG2 4.38Å; W390-V571 HydrophobicContact CZ2-CG2 4.07Å; W390-A574 HydrophobicContact CH2-CB 4.23Å; W390-A574 HydrophobicContact CZ3-CB 4.3Å
391F90.8Very high87.8Confident11 Ų1168.5 Ų68.55%0.04833%0.327CS..Hα-helixtrans-64.3-41.9178.2175-99.9000111.9T67 C70 V71 N387 Y388 K389 F394 Q395 F578T67-F391 HydrophobicContact CG2-CE1 3.87Å; T67-F391 HydrophobicContact CG2-CZ 4.1Å; C70-F391 HydrophobicContact CB-CD2 4.44Å; C70-F391 HydrophobicContact CB-CE2 4.09Å; V71-F391 HydrophobicContact CG2-CB 4.09Å; V71-F391 HydrophobicContact CG2-CD1 4.11Å; V71-F391 HydrophobicContact CG2-CG 4.09Å; N387-F391 VanDerWaalsContact O-CB 3.28Å; N387-F391 WeakPolarHBondContact O-CB 3.41Å; N387-F391 PolarHBondContact O-N 2.93Å; Y388-F391 PolarHBondContact O-N 3.22Å; K389-F391 VanDerWaalsContact C-N 3.34Å; K389-F391 PolarHBondContact O-N 3.3Å; F391-F394 WeakPolarHBondContact O-CB 3.42Å; F391-F394 PolarHBondContact O-N 3.31Å; F391-Q395 HydrophobicContact CD1-CG 4.41Å; F391-Q395 HydrophobicContact CE1-CG 3.91Å; F391-Q395 HydrophobicContact CE2-CG 4.11Å; F391-Q395 HydrophobicContact CZ-CG 3.75Å; F391-Q395 VanDerWaalsContact CZ-NE2 3.29Å; F391-Q395 WeakPolarHBondContact O-CG 3.36Å; F391-Q395 PolarHBondContact O-N 3.48Å; F391-F578 AromaticContact CE2-CD2 3.78Å; F391-F578 HydrophobicContact CE2-CD2 3.78Å; F391-F578 AromaticContact CE2-CE2 3.5Å; F391-F578 HydrophobicContact CE2-CE2 3.5Å; F391-F578 HydrophobicContact CE2-CZ 4.31Å; F391-F578 HydrophobicContact CZ-CD2 4.02Å; F391-F578 AromaticContact CZ-CE2 3.39Å; F391-F578 HydrophobicContact CZ-CE2 3.39Å; F391-F578 AromaticContact CZ-CZ 3.74Å; F391-F578 HydrophobicContact CZ-CZ 3.74Å
392K91.4Very high88Confident97 Ų9765 Ų6542%0.42231%0.309SS..Hα-helixtrans-58.7-48.4174-176.3177176.3179.20110.7Y388 K389 F394 Q395 E396Y388-K392 WeakPolarHBondContact O-CB 3.46Å; Y388-K392 PolarHBondContact O-N 2.86Å; K389-K392 PolarHBondContact O-N 3.25Å; K392-F394 VanDerWaalsContact C-N 3.31Å; K392-F394 PolarHBondContact O-N 2.99Å; K392-Q395 PolarHBondContact O-N 3.44Å; K392-Q395 VanDerWaalsContact O-N 3.08Å; K392-E396 VanDerWaalsContact CE-CD 3.48Å; K392-E396 WeakPolarHBondContact CE-OE1 3.38Å; K392-E396 HydrophobicContact CG-CG 4.42Å; K392-E396 IonicContact NZ-OE1 2.67Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 2.96Å
393T91.4Very high87.9Confident40 Ų4062.8 Ų62.825%0.24530%0.299CS..Hα-helixtrans-62.4-36.2175.6-51.50000112.3K389 W390 Q395 E396 D397 H400K389-T393 PolarHBondContact O-N 3.23Å; K389-T393 PolarHBondContact O-OG1 2.97Å; K389-T393 VanDerWaalsContact O-OG1 3.06Å; W390-T393 PolarHBondContact O-N 3.49Å; T393-Q395 VanDerWaalsContact C-N 3.29Å; T393-Q395 PolarHBondContact O-N 3.5Å; T393-E396 PolarHBondContact O-N 3.4Å; T393-D397 HydrophobicContact CG2-CB 4.21Å; T393-D397 WeakPolarHBondContact O-CA 3.1Å; T393-D397 WeakPolarHBondContact O-CB 3.21Å; T393-D397 PolarHBondContact O-N 3.23Å; T393-H400 HydrophobicContact CG2-CB 3.87Å; T393-H400 VanDerWaalsContact CG2-CD2 3.47Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.4Å
394F89.5Confident87.8Confident2 Ų262.8 Ų62.81%0.00930%0.295CS..Hα-helixtrans-61.9-36173.6175.3-87.9000112.8W390 F391 K392 A574 R581 R585W390-F394 HydrophobicContact CH2-CB 4.34Å; W390-F394 AromaticContact CH2-CD2 3.89Å; W390-F394 HydrophobicContact CH2-CD2 3.89Å; W390-F394 HydrophobicContact CH2-CG 4.25Å; W390-F394 HydrophobicContact CZ2-CD2 4.31Å; W390-F394 HydrophobicContact CZ3-CB 4.29Å; W390-F394 HydrophobicContact CZ3-CG 4.44Å; W390-F394 WeakPolarHBondContact O-CB 3.02Å; W390-F394 PolarHBondContact O-N 3.04Å; F391-F394 WeakPolarHBondContact O-CB 3.42Å; F391-F394 PolarHBondContact O-N 3.31Å; K392-F394 VanDerWaalsContact C-N 3.31Å; K392-F394 PolarHBondContact O-N 2.99Å; F394-A574 HydrophobicContact CD1-CB 4.3Å; F394-A574 HydrophobicContact CE1-CB 3.84Å; F394-A574 HydrophobicContact CE2-CB 4.07Å; F394-A574 HydrophobicContact CZ-CB 3.71Å; F394-R581 HydrophobicContact CE1-CG 4.01Å; F394-R581 PolarHBondContact O-NE 3.42Å; F394-R581 PolarHBondContact O-NH2 3.32Å; F394-R585 VanDerWaalsContact CE2-NE 3.32Å; F394-R585 PolarHBondContact O-NH1 2.96Å
395Q88Confident87.6Confident52 Ų5262 Ų6224%0.24329%0.291CS..Hα-helixtrans-80.8-33178.3-68-66.1-100113.8F391 K392 T393 R581F391-Q395 HydrophobicContact CD1-CG 4.41Å; F391-Q395 HydrophobicContact CE1-CG 3.91Å; F391-Q395 HydrophobicContact CE2-CG 4.11Å; F391-Q395 HydrophobicContact CZ-CG 3.75Å; F391-Q395 VanDerWaalsContact CZ-NE2 3.29Å; F391-Q395 WeakPolarHBondContact O-CG 3.36Å; F391-Q395 PolarHBondContact O-N 3.48Å; K392-Q395 PolarHBondContact O-N 3.44Å; K392-Q395 VanDerWaalsContact O-N 3.08Å; T393-Q395 VanDerWaalsContact C-N 3.29Å; T393-Q395 PolarHBondContact O-N 3.5Å; Q395-R581 VanDerWaalsContact C-NH2 3.33Å; Q395-R581 PolarHBondContact O-NE 3.41Å; Q395-R581 PolarHBondContact O-NH1 3.38Å; Q395-R581 PolarHBondContact O-NH2 3Å
396E90.2Very high87.3Confident126 Ų12653.2 Ų53.259%0.58926%0.259SS*.Hα-helixtrans-84.9-56.3179.8-69.8172.6168.600110.5K392 T393 R581K392-E396 VanDerWaalsContact CE-CD 3.48Å; K392-E396 WeakPolarHBondContact CE-OE1 3.38Å; K392-E396 HydrophobicContact CG-CG 4.42Å; K392-E396 IonicContact NZ-OE1 2.67Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 2.96Å; T393-E396 PolarHBondContact O-N 3.4Å; E396-R581 VanDerWaalsContact C-NH2 3.26Å; E396-R581 PolarHBondContact O-NH2 3.4Å
397D89.8Confident87.1Confident59 Ų5954 Ų5432%0.31627%0.266SS..  trans-93.8118.7-174.2-175.99.1000112T393 T399 H400 R585T393-D397 HydrophobicContact CG2-CB 4.21Å; T393-D397 WeakPolarHBondContact O-CA 3.1Å; T393-D397 WeakPolarHBondContact O-CB 3.21Å; T393-D397 PolarHBondContact O-N 3.23Å; D397-T399 VanDerWaalsContact C-N 3.27Å; D397-T399 VanDerWaalsContact CG-OG1 3.27Å; D397-T399 WeakPolarHBondContact OD1-CB 3.5Å; D397-T399 WeakPolarHBondContact OD1-CG2 2.99Å; D397-T399 PolarHBondContact OD1-N 2.89Å; D397-T399 PolarHBondContact OD1-OG1 3.18Å; D397-T399 PolarHBondContact OD2-OG1 3.01Å; D397-H400 HydrophobicContact CB-CB 3.99Å; D397-H400 WeakPolarHBondContact OD2-CB 3.47Å; D397-H400 PolarHBondContact OD2-N 3.44Å; D397-R585 PolarHBondContact O-NH1 3.06Å
398I87.9Confident86.9Confident44 Ų4456.2 Ų56.223%0.22628%0.28CS..SBendtrans-73.8-24.2178-59.9172.6000110.9N402 R581 V584 R585 W588I398-N402 WeakPolarHBondContact O-CB 3.44Å; I398-N402 PolarHBondContact O-ND2 3.27Å; I398-R581 VanDerWaalsContact CG1-NH2 3.25Å; I398-V584 HydrophobicContact CD1-CG1 3.96Å; I398-R585 HydrophobicContact CG2-CB 4.43Å; I398-R585 HydrophobicContact CG2-CG 4.05Å; I398-W588 HydrophobicContact CB-CG 4.47Å; I398-W588 HydrophobicContact CG2-CB 3.44Å; I398-W588 VanDerWaalsContact CG2-CB 3.44Å; I398-W588 HydrophobicContact CG2-CD2 3.81Å; I398-W588 HydrophobicContact CG2-CE3 4.18Å; I398-W588 HydrophobicContact CG2-CG 3.46Å; I398-W588 VanDerWaalsContact CG2-CG 3.46Å
399T85.8Confident86.7Confident72 Ų7249.8 Ų49.844%0.44226%0.255SS..SBendtrans-85.3-29.5-174.677.60000112.7D397 E401 N402 W588D397-T399 VanDerWaalsContact C-N 3.27Å; D397-T399 VanDerWaalsContact CG-OG1 3.27Å; D397-T399 WeakPolarHBondContact OD1-CB 3.5Å; D397-T399 WeakPolarHBondContact OD1-CG2 2.99Å; D397-T399 PolarHBondContact OD1-N 2.89Å; D397-T399 PolarHBondContact OD1-OG1 3.18Å; D397-T399 PolarHBondContact OD2-OG1 3.01Å; T399-E401 PolarHBondContact O-N 2.04Å; T399-E401 VanDerWaalsContact O-N 3.17Å; T399-N402 PolarHBondContact O-N 3.47Å; T399-W588 HydrophobicContact CG2-CH2 3.53Å; T399-W588 HydrophobicContact CG2-CZ2 3.28Å; T399-W588 HydrophobicContact CG2-CZ3 4.31Å
400H85.7Confident86.6Confident48 Ų4847 Ų4722%0.22224%0.24CC..THydrogen-bonded Turntrans-53.7113.9-179.1-179.8-101.3000113.1W390 T393 D397 N402 R585W390-H400 AromaticContact CD1-CE1 3.6Å; W390-H400 AromaticContact NE1-CE1 3.49Å; W390-H400 PolarHBondContact NE1-CE1 2.89Å; T393-H400 HydrophobicContact CG2-CB 3.87Å; T393-H400 VanDerWaalsContact CG2-CD2 3.47Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.4Å; D397-H400 HydrophobicContact CB-CB 3.99Å; D397-H400 WeakPolarHBondContact OD2-CB 3.47Å; D397-H400 PolarHBondContact OD2-N 3.44Å; H400-N402 PolarHBondContact O-N 2.63Å; H400-R585 PolarHBondContact O-NH2 3.13Å
401E80Confident86.5Confident62 Ų6249.5 Ų49.529%0.2926%0.258SS..THydrogen-bonded Turntrans51.923.7179.6-60.7-174.4171.900115.2W390 T399 V403 Y404 R570W390-E401 PolarHBondContact NE1-OE2 3.31Å; T399-E401 PolarHBondContact O-N 2.04Å; T399-E401 VanDerWaalsContact O-N 3.17Å; E401-V403 PolarHBondContact O-N 3.15Å; E401-Y404 WeakPolarHBondContact O-CD2 3.28Å; E401-R570 IonicContact OE1-CZ 4Å; E401-R570 IonicContact OE1-NH2 2.69Å; E401-R570 PolarHBondContact OE1-NH2 3.38Å; E401-R570 IonicContact OE2-CZ 2.71Å; E401-R570 IonicContact OE2-NE 2.72Å; E401-R570 IonicContact OE2-NH2 3.77Å; E401-R570 PolarHBondContact OE2-NH2 3.07Å
402N85.4Confident86.5Confident7 Ų751 Ų514%0.03727%0.266CS..  trans-84.964.9179.6-166.213.1000111.1I398 T399 H400 R585 W588 L589I398-N402 WeakPolarHBondContact O-CB 3.44Å; I398-N402 PolarHBondContact O-ND2 3.27Å; T399-N402 PolarHBondContact O-N 3.47Å; H400-N402 PolarHBondContact O-N 2.63Å; N402-R585 PolarHBondContact ND2-O 2.78Å; N402-W588 HydrophobicContact CB-CZ3 4.45Å; N402-W588 VanDerWaalsContact ND2-CE3 3.33Å; N402-L589 VanDerWaalsContact O-CD1 3.23Å; N402-L589 WeakPolarHBondContact O-CD1 3.38Å
403V82.5Confident86.5Confident39 Ų3946.6 Ų46.624%0.23625%0.247CC..  trans-124.47.3-175.3-92.90000113.3E401 R434 I435 N436E401-V403 PolarHBondContact O-N 3.15Å; V403-R434 HydrophobicContact CG1-CG 4.15Å; V403-R434 WeakPolarHBondContact CG1-O 3.4Å; V403-I435 WeakPolarHBondContact O-CA 3.34Å; V403-N436 PolarHBondContact O-N 3.28Å
404Y81.1Confident86.5Confident22 Ų2251.4 Ų51.49%0.08626%0.261CS..BIsolated β-bridgetrans-97.6129.2-175.1-61.8-77.9000112.9E401 T406 N436 P438 R568 V571E401-Y404 WeakPolarHBondContact O-CD2 3.28Å; Y404-T406 PolarHBondContact O-N 3.16Å; Y404-N436 VanDerWaalsContact CA-O 3.31Å; Y404-N436 WeakPolarHBondContact CA-O 3.47Å; Y404-N436 HydrophobicContact CD1-CB 4.32Å; Y404-N436 HydrophobicContact CE1-CB 4.35Å; Y404-P438 HydrophobicContact CD1-CB 4.01Å; Y404-R568 HydrophobicContact CE1-CG 4.17Å; Y404-V571 HydrophobicContact CD2-CB 4.38Å; Y404-V571 HydrophobicContact CD2-CG1 3.91Å; Y404-V571 HydrophobicContact CD2-CG2 4.12Å; Y404-V571 HydrophobicContact CE2-CB 4.42Å; Y404-V571 HydrophobicContact CE2-CG1 4.39Å; Y404-V571 HydrophobicContact CE2-CG2 3.73Å
405L81.6Confident86.7Confident22 Ų2259.3 Ų59.312%0.11529%0.291CS..  trans-75.2112.7172.2-76.1158.8000110.7W409 W410 L427 I435 N436 P438L405-W409 HydrophobicContact CD2-CD2 3.61Å; L405-W409 HydrophobicContact CD2-CE3 3.55Å; L405-W409 HydrophobicContact CD2-CG 4.15Å; L405-W409 HydrophobicContact CD2-CH2 4.32Å; L405-W409 HydrophobicContact CD2-CZ2 4.33Å; L405-W409 HydrophobicContact CD2-CZ3 3.93Å; L405-W410 HydrophobicContact CD1-CZ2 4.18Å; L405-W410 HydrophobicContact CD2-CZ2 4.12Å; L405-L427 HydrophobicContact CD1-CD1 4.38Å; L405-I435 HydrophobicContact CB-CG2 4.46Å; L405-I435 HydrophobicContact CD1-CG2 3.42Å; L405-I435 VanDerWaalsContact CD1-CG2 3.42Å; L405-I435 HydrophobicContact CD2-CG2 3.98Å; L405-I435 HydrophobicContact CG-CG2 3.3Å; L405-N436 PolarHBondContact N-O 2.84Å; L405-P438 WeakPolarHBondContact O-CD 3.48Å
406T82.1Confident86.9Confident15 Ų1559.5 Ų59.59%0.09229%0.289CS..  trans-103.4159.6175.860.60000111.8Y404 T408 W409 W410 N586Y404-T406 PolarHBondContact O-N 3.16Å; T406-T408 PolarHBondContact O-N 3.18Å; T406-T408 PolarHBondContact OG1-OG1 3.36Å; T406-W409 VanDerWaalsContact O-CB 3.29Å; T406-W409 WeakPolarHBondContact O-CB 3.46Å; T406-W409 PolarHBondContact O-N 2.86Å; T406-W409 PolarHBondContact OG1-N 3.47Å; T406-W410 PolarHBondContact O-N 2.93Å; T406-N586 PolarHBondContact OG1-ND2 2.84Å; T406-N586 PolarHBondContact OG1-OD1 3.25Å
407P83.4Confident86.8Confident105 Ų10558.4 Ų58.468%0.68228%0.284SS*.Hα-helixtrans-57.5-31.9175.2-25.935.1000113.7W409 W410 T411P407-W409 VanDerWaalsContact C-N 3.34Å; P407-W410 PolarHBondContact O-N 3.23Å; P407-T411 PolarHBondContact O-N 3.19Å; P407-T411 VanDerWaalsContact O-N 3.16Å; P407-T411 PolarHBondContact O-OG1 3Å
408T83.4Confident87Confident53 Ų5364.2 Ų64.233%0.32531%0.306SS..Hα-helixtrans-64.3-36.5174.531.70000112.3T406 T411 I412 N586T406-T408 PolarHBondContact O-N 3.18Å; T406-T408 PolarHBondContact OG1-OG1 3.36Å; T408-T411 WeakPolarHBondContact O-CB 3.23Å; T408-T411 PolarHBondContact O-N 2.68Å; T408-I412 PolarHBondContact O-N 3.5Å; T408-N586 PolarHBondContact OG1-ND2 3.35Å
409W89Confident87.2Confident0 Ų065.4 Ų65.40%031%0.311CS..Hα-helixtrans-61.7-46174.3-171.399.8000111.5L405 T406 P407 T411 I412 D413 L424 L427 Y590 M593L405-W409 HydrophobicContact CD2-CD2 3.61Å; L405-W409 HydrophobicContact CD2-CE3 3.55Å; L405-W409 HydrophobicContact CD2-CG 4.15Å; L405-W409 HydrophobicContact CD2-CH2 4.32Å; L405-W409 HydrophobicContact CD2-CZ2 4.33Å; L405-W409 HydrophobicContact CD2-CZ3 3.93Å; T406-W409 VanDerWaalsContact O-CB 3.29Å; T406-W409 WeakPolarHBondContact O-CB 3.46Å; T406-W409 PolarHBondContact O-N 2.86Å; T406-W409 PolarHBondContact OG1-N 3.47Å; P407-W409 VanDerWaalsContact C-N 3.34Å; W409-T411 PolarHBondContact O-N 3.38Å; W409-I412 WeakPolarHBondContact O-CB 3.35Å; W409-I412 PolarHBondContact O-N 3.42Å; W409-I412 VanDerWaalsContact O-N 3.11Å; W409-D413 HydrophobicContact CZ3-CB 4.36Å; W409-D413 PolarHBondContact O-N 3.25Å; W409-L424 HydrophobicContact CH2-CB 3.89Å; W409-L424 HydrophobicContact CH2-CD1 4.08Å; W409-L424 HydrophobicContact CZ2-CB 4.24Å; W409-L424 HydrophobicContact CZ2-CD1 3.57Å; W409-L427 HydrophobicContact CH2-CD2 4.09Å; W409-Y590 HydrophobicContact CD2-CD2 4.09Å; W409-Y590 AromaticContact CE2-CD2 3.59Å; W409-Y590 HydrophobicContact CG-CD2 4.49Å; W409-Y590 HydrophobicContact CH2-CD2 4.35Å; W409-Y590 HydrophobicContact CH2-CE2 4.25Å; W409-Y590 AromaticContact CZ2-CD2 3.75Å; W409-Y590 HydrophobicContact CZ2-CD2 3.75Å; W409-Y590 HydrophobicContact CZ2-CE2 4.06Å; W409-Y590 AromaticContact NE1-CD2 3.75Å; W409-M593 HydrophobicContact CH2-CE 4.34Å; W409-M593 HydrophobicContact CZ2-CE 3.74Å; W409-M593 HydrophobicContact CZ2-SD 3.54Å; W409-M593 VanDerWaalsContact CZ2-SD 3.54Å
410W88.4Confident87.2Confident90 Ų9071.4 Ų71.434%0.34133%0.331SS..Hα-helixtrans-65-24.5176.6-67.5111.4000113.7L405 T406 P407 R414 L427L405-W410 HydrophobicContact CD1-CZ2 4.18Å; L405-W410 HydrophobicContact CD2-CZ2 4.12Å; T406-W410 PolarHBondContact O-N 2.93Å; P407-W410 PolarHBondContact O-N 3.23Å; W410-R414 WeakPolarHBondContact O-CG 3.42Å; W410-R414 PolarHBondContact O-N 3.01Å; W410-R414 VanDerWaalsContact O-N 3.12Å; W410-R414 PolarHBondContact O-NE 3.04Å; W410-L427 HydrophobicContact CH2-CD1 4.02Å
411T89.8Confident87.3Confident74 Ų7474.1 Ų74.145%0.45434%0.339SS..Hα-helixtrans-73.3-34.3176-54.80000111.2P407 T408 W409 R414 R415P407-T411 PolarHBondContact O-N 3.19Å; P407-T411 VanDerWaalsContact O-N 3.16Å; P407-T411 PolarHBondContact O-OG1 3Å; T408-T411 WeakPolarHBondContact O-CB 3.23Å; T408-T411 PolarHBondContact O-N 2.68Å; W409-T411 PolarHBondContact O-N 3.38Å; T411-R414 PolarHBondContact OG1-NH2 3.4Å; T411-R415 WeakPolarHBondContact O-CB 3.48Å; T411-R415 PolarHBondContact O-N 3.15Å
412I89.9Confident87.5Confident43 Ų4374 Ų7422%0.22134%0.343CS..Hα-helixtrans-64.3-45.4172.9-60.6167.6000110.2T408 W409 R415 R416 N586 M587 Y590T408-I412 PolarHBondContact O-N 3.5Å; W409-I412 WeakPolarHBondContact O-CB 3.35Å; W409-I412 PolarHBondContact O-N 3.42Å; W409-I412 VanDerWaalsContact O-N 3.11Å; I412-R415 PolarHBondContact O-N 3.43Å; I412-R416 PolarHBondContact O-N 3.31Å; I412-N586 HydrophobicContact CD1-CB 4.47Å; I412-M587 HydrophobicContact CD1-CB 4.43Å; I412-Y590 HydrophobicContact CB-CD2 4.13Å; I412-Y590 HydrophobicContact CB-CE2 4.4Å; I412-Y590 HydrophobicContact CB-CG 4.4Å; I412-Y590 HydrophobicContact CG2-CD1 3.78Å; I412-Y590 HydrophobicContact CG2-CD2 3.83Å; I412-Y590 HydrophobicContact CG2-CE1 3.98Å; I412-Y590 HydrophobicContact CG2-CE2 4.03Å; I412-Y590 HydrophobicContact CG2-CG 3.71Å
413D91Very high87.7Confident3 Ų376 Ų762%0.01635%0.353CS..Hα-helixtrans-62.9-48.5-179.8-156.155.2000112.1W409 R415 R416 E417 L424 K425 Y590W409-D413 HydrophobicContact CZ3-CB 4.36Å; W409-D413 PolarHBondContact O-N 3.25Å; D413-R415 VanDerWaalsContact C-N 3.27Å; D413-R415 PolarHBondContact O-N 3.46Å; D413-R416 PolarHBondContact O-N 2.82Å; D413-R416 VanDerWaalsContact O-N 3.17Å; D413-E417 PolarHBondContact O-N 3Å; D413-L424 PolarHBondContact OD1-N 3.41Å; D413-K425 VanDerWaalsContact OD2-CB 3.29Å; D413-K425 WeakPolarHBondContact OD2-CB 3.46Å; D413-K425 PolarHBondContact OD2-N 3.08Å; D413-Y590 HydrophobicContact CB-CE2 3.76Å; D413-Y590 WeakPolarHBondContact OD1-CE2 3.45Å; D413-Y590 PolarHBondContact OD1-OH 2.94Å
414R92.3Very high87.9Confident142 Ų14274.1 Ų74.154%0.53634%0.341SS..Hα-helixtrans-60-36176-75.4-175.3-70.2-178.70.1112.7W410 T411 K418W410-R414 WeakPolarHBondContact O-CG 3.42Å; W410-R414 PolarHBondContact O-N 3.01Å; W410-R414 VanDerWaalsContact O-N 3.12Å; W410-R414 PolarHBondContact O-NE 3.04Å; T411-R414 PolarHBondContact OG1-NH2 3.4Å; R414-K418 WeakPolarHBondContact O-CG 3.33Å; R414-K418 PolarHBondContact O-N 3.01Å
415R92.6Very high88.1Confident168 Ų16878.8 Ų78.863%0.63436%0.362SS*.Hα-helixtrans-67-45.6176179.9178.9173.1172.33.6111.1T411 I412 D413 E417 K418 E419T411-R415 WeakPolarHBondContact O-CB 3.48Å; T411-R415 PolarHBondContact O-N 3.15Å; I412-R415 PolarHBondContact O-N 3.43Å; D413-R415 VanDerWaalsContact C-N 3.27Å; D413-R415 PolarHBondContact O-N 3.46Å; R415-E417 VanDerWaalsContact C-N 3.29Å; R415-E417 PolarHBondContact O-N 3Å; R415-K418 PolarHBondContact O-N 3.24Å; R415-E419 WeakPolarHBondContact CG-OE1 3.34Å; R415-E419 IonicContact CZ-OE1 3.67Å; R415-E419 IonicContact NE-OE1 2.84Å; R415-E419 PolarHBondContact NE-OE1 2.96Å; R415-E419 IonicContact NH2-OE1 3.62Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 2.71Å
416R92.2Very high88.2Confident55 Ų5580.3 Ų80.321%0.20837%0.373CS..Hα-helixtrans-64.6-34.3177.6-74.9-174.7120.6130.91.1112.8I412 D413 E419 K420 R421 I423 Y590 N591I412-R416 PolarHBondContact O-N 3.31Å; D413-R416 PolarHBondContact O-N 2.82Å; D413-R416 VanDerWaalsContact O-N 3.17Å; R416-E419 CarbonylContact O-C 3.52Å; R416-E419 PolarHBondContact O-N 2.92Å; R416-K420 PolarHBondContact O-N 3.15Å; R416-R421 HydrophobicContact CB-CB 4.19Å; R416-R421 HydrophobicContact CG-CB 4.42Å; R416-R421 PolarHBondContact O-N 3.01Å; R416-I423 HydrophobicContact CB-CG2 4.18Å; R416-Y590 WeakPolarHBondContact CD-OH 3.4Å; R416-N591 PolarHBondContact NH1-OD1 3.39Å; R416-N591 VanDerWaalsContact NH1-OD1 3.16Å
417E89.7Confident88.3Confident103 Ų10381 Ų8148%0.48138%0.376SS..Hα-helixtrans-59.1-48.4172.9-170.4172.9-144.500111.2D413 R415 E419 K420 I423D413-E417 PolarHBondContact O-N 3Å; R415-E417 VanDerWaalsContact C-N 3.29Å; R415-E417 PolarHBondContact O-N 3Å; E417-E419 VanDerWaalsContact C-N 3.29Å; E417-E419 PolarHBondContact O-N 3.41Å; E417-K420 PolarHBondContact O-N 3.32Å; E417-K420 VanDerWaalsContact O-N 3.11Å; E417-I423 HydrophobicContact CB-CG2 3.85Å
418K92.6Very high88.3Confident182 Ų18276.4 Ų76.479%0.79135%0.345SS*.Hα-helixtrans-61.1-37.4175.1-69179.5179.6-168.80112.7R414 R415 K420R414-K418 WeakPolarHBondContact O-CG 3.33Å; R414-K418 PolarHBondContact O-N 3.01Å; R415-K418 PolarHBondContact O-N 3.24Å; K418-K420 PolarHBondContact O-N 3.33Å
419E91.9Very high88.2Confident68 Ų6876.2 Ų76.232%0.31835%0.345SS..THydrogen-bonded Turntrans-78.23.1178.6-67171-174.500113.5R415 R416 E417 R421R415-E419 WeakPolarHBondContact CG-OE1 3.34Å; R415-E419 IonicContact CZ-OE1 3.67Å; R415-E419 IonicContact NE-OE1 2.84Å; R415-E419 PolarHBondContact NE-OE1 2.96Å; R415-E419 IonicContact NH2-OE1 3.62Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 2.71Å; R416-E419 CarbonylContact O-C 3.52Å; R416-E419 PolarHBondContact O-N 2.92Å; E417-E419 VanDerWaalsContact C-N 3.29Å; E417-E419 PolarHBondContact O-N 3.41Å; E419-R421 HydrophobicContact CB-CG 4.02Å; E419-R421 PolarHBondContact O-N 2.94Å; E419-R421 VanDerWaalsContact O-N 3.16Å; E419-R421 WeakPolarHBondContact OE2-CD 3.22Å; E419-R421 IonicContact OE2-CZ 3.22Å; E419-R421 VanDerWaalsContact OE2-CZ 3.22Å; E419-R421 IonicContact OE2-NE 3.24Å; E419-R421 PolarHBondContact OE2-NE 2.86Å; E419-R421 IonicContact OE2-NH1 2.71Å; E419-R421 PolarHBondContact OE2-NH1 3.46Å
420K86.8Confident87.8Confident199 Ų19978.8 Ų78.887%0.86536%0.355SS*.THydrogen-bonded Turntrans5429.8-175.1-58.3-179.9-178.9175.60113.5R416 E417 K418R416-K420 PolarHBondContact O-N 3.15Å; E417-K420 PolarHBondContact O-N 3.32Å; E417-K420 VanDerWaalsContact O-N 3.11Å; K418-K420 PolarHBondContact O-N 3.33Å
421R87.3Confident87.7Confident105 Ų10575.1 Ų75.140%0.39634%0.342SS..  trans-89.4171.6175-68.4177.8175.4173.6-9110.1R416 E419 I423R416-R421 HydrophobicContact CB-CB 4.19Å; R416-R421 HydrophobicContact CG-CB 4.42Å; R416-R421 PolarHBondContact O-N 3.01Å; E419-R421 HydrophobicContact CB-CG 4.02Å; E419-R421 PolarHBondContact O-N 2.94Å; E419-R421 VanDerWaalsContact O-N 3.16Å; E419-R421 WeakPolarHBondContact OE2-CD 3.22Å; E419-R421 IonicContact OE2-CZ 3.22Å; E419-R421 VanDerWaalsContact OE2-CZ 3.22Å; E419-R421 IonicContact OE2-NE 3.24Å; E419-R421 PolarHBondContact OE2-NE 2.86Å; E419-R421 IonicContact OE2-NH1 2.71Å; E419-R421 PolarHBondContact OE2-NH1 3.46Å; R421-I423 PolarHBondContact O-N 3.05Å
422T84.5Confident87.3Confident59 Ų5977.8 Ų77.836%0.36235%0.347SS..  trans-60.3132.2170.829.60000111.7V696T422-V696 HydrophobicContact CG2-CB 3.96Å; T422-V696 HydrophobicContact CG2-CG1 3.75Å; T422-V696 HydrophobicContact CG2-CG2 3.1Å; T422-V696 WeakPolarHBondContact OG1-CG2 3.49Å
423I89Confident86.7Confident48 Ų4884.5 Ų84.525%0.24637%0.374CS..  trans-111.7159176.459.2171.4000110.3R416 E417 R421 K425 R597R416-I423 HydrophobicContact CB-CG2 4.18Å; E417-I423 HydrophobicContact CB-CG2 3.85Å; R421-I423 PolarHBondContact O-N 3.05Å; I423-K425 WeakPolarHBondContact CD1-O 3.46Å; I423-R597 PolarHBondContact O-NH1 2.89Å
424L87.6Confident86.1Confident0 Ų089.3 Ų89.30%039%0.392CS..  trans-93.5-20.9176.2-74.3166.5000112.2W409 D413 P426 L427 Y590 M593 L594 R597W409-L424 HydrophobicContact CH2-CB 3.89Å; W409-L424 HydrophobicContact CH2-CD1 4.08Å; W409-L424 HydrophobicContact CZ2-CB 4.24Å; W409-L424 HydrophobicContact CZ2-CD1 3.57Å; D413-L424 PolarHBondContact OD1-N 3.41Å; L424-P426 CarbonylContact O-C 3.58Å; L424-L427 HydrophobicContact CB-CD2 4.43Å; L424-L427 PolarHBondContact O-N 3.04Å; L424-Y590 HydrophobicContact CB-CE2 4.45Å; L424-Y590 HydrophobicContact CD1-CD1 4.28Å; L424-Y590 HydrophobicContact CD1-CD2 3.81Å; L424-Y590 HydrophobicContact CD1-CE1 4.13Å; L424-Y590 HydrophobicContact CD1-CE2 3.64Å; L424-Y590 HydrophobicContact CD1-CG 4.12Å; L424-Y590 HydrophobicContact CG-CE2 4.3Å; L424-M593 HydrophobicContact CD1-CB 3.65Å; L424-M593 HydrophobicContact CD1-CE 3.96Å; L424-M593 HydrophobicContact CD1-SD 4.28Å; L424-M593 HydrophobicContact CD2-CB 4.17Å; L424-M593 HydrophobicContact CD2-CE 4.35Å; L424-L594 HydrophobicContact CD1-CD2 4.34Å; L424-L594 HydrophobicContact CD1-CG 4.17Å; L424-L594 HydrophobicContact CD2-CD2 3.76Å; L424-L594 HydrophobicContact CD2-CG 4.25Å; L424-L594 HydrophobicContact CG-CD2 3.78Å; L424-L594 HydrophobicContact CG-CG 4.16Å; L424-R597 PolarHBondContact O-NH1 3.43Å; L424-R597 PolarHBondContact O-NH2 3.11Å
425K84.9Confident85.5Confident121 Ų12183.3 Ų83.353%0.52637%0.371SS..PPolyproline II helixtrans-73.8135.8173.5-168.1178.6-179.7-170.90111.3D413 I423D413-K425 VanDerWaalsContact OD2-CB 3.29Å; D413-K425 WeakPolarHBondContact OD2-CB 3.46Å; D413-K425 PolarHBondContact OD2-N 3.08Å; I423-K425 WeakPolarHBondContact CD1-O 3.46Å
426P84.4Confident84.8Confident53 Ų5376.6 Ų76.634%0.34435%0.348SS..SBendcis-77138-5.131.6-33.7000112.9L424 R428 T659L424-P426 CarbonylContact O-C 3.58Å; P426-R428 PolarHBondContact O-N 3.17Å; P426-T659 HydrophobicContact CG-CG2 4.31Å
427L84.7Confident83.8Confident30 Ų3077 Ų7716%0.15735%0.354CS..PPolyproline II helixtrans-62.6125.5176.1-69173.1000111L405 W409 W410 L424 K432 M593L405-L427 HydrophobicContact CD1-CD1 4.38Å; W409-L427 HydrophobicContact CH2-CD2 4.09Å; W410-L427 HydrophobicContact CH2-CD1 4.02Å; L424-L427 HydrophobicContact CB-CD2 4.43Å; L424-L427 PolarHBondContact O-N 3.04Å; L427-K432 HydrophobicContact CB-CG 3.98Å; L427-K432 WeakPolarHBondContact O-CE 3.47Å; L427-M593 HydrophobicContact CD2-CE 3.55Å
428R82.5Confident82.9Confident9 Ų974 Ų743%0.03434%0.343CS..PPolyproline II helixtrans-77156.2-179.5-56-62-169.6-172.2-4.2111P426 Y430 E431 K432 T659 E663P426-R428 PolarHBondContact O-N 3.17Å; R428-Y430 VanDerWaalsContact C-N 3.27Å; R428-Y430 HydrophobicContact CB-CD1 3.66Å; R428-Y430 HydrophobicContact CB-CE1 3.3Å; R428-Y430 HydrophobicContact CB-CG 4.4Å; R428-Y430 HydrophobicContact CG-CE1 3.7Å; R428-Y430 PolarHBondContact O-N 3.47Å; R428-E431 HydrophobicContact CB-CG 4.13Å; R428-E431 PolarHBondContact N-OE2 2.89Å; R428-E431 WeakPolarHBondContact O-CB 3.25Å; R428-E431 PolarHBondContact O-N 3.14Å; R428-K432 PolarHBondContact O-N 3.35Å; R428-T659 PolarHBondContact NH1-OG1 3.02Å; R428-E663 IonicContact CZ-OE2 2.71Å; R428-E663 IonicContact NH2-OE2 3.02Å; R428-E663 PolarHBondContact NH2-OE2 2.62Å
429P80.4Confident81.9Confident48 Ų4872.5 Ų72.531%0.31234%0.343SS..Hα-helixtrans-57.2-37.6-178.4-25.134.1000113.9E431 K433 K638P429-E431 VanDerWaalsContact C-N 3.3Å; P429-E431 PolarHBondContact O-N 2.96Å; P429-K433 PolarHBondContact O-N 2.97Å; P429-K638 HydrophobicContact CG-CB 3.84Å; P429-K638 HydrophobicContact CG-CG 4.11Å
430Y80.9Confident81.1Confident54 Ų5472.1 Ų72.121%0.21235%0.345CS..Hα-helixtrans-69-28178.264.8-95.9000112.8R428 Y600 C636R428-Y430 VanDerWaalsContact C-N 3.27Å; R428-Y430 HydrophobicContact CB-CD1 3.66Å; R428-Y430 HydrophobicContact CB-CE1 3.3Å; R428-Y430 HydrophobicContact CB-CG 4.4Å; R428-Y430 HydrophobicContact CG-CE1 3.7Å; R428-Y430 PolarHBondContact O-N 3.47Å; Y430-Y600 HydrophobicContact CD1-CD1 4.31Å; Y430-Y600 HydrophobicContact CD1-CD2 4.41Å; Y430-Y600 AromaticContact CD1-CE1 3.91Å; Y430-Y600 HydrophobicContact CD1-CE1 3.91Å; Y430-Y600 HydrophobicContact CD1-CE2 4.02Å; Y430-Y600 AromaticContact CD1-CZ 3.74Å; Y430-Y600 HydrophobicContact CD2-CD2 4.08Å; Y430-Y600 HydrophobicContact CD2-CE2 4.37Å; Y430-Y600 HydrophobicContact CD2-CG 4.24Å; Y430-Y600 AromaticContact CE1-CD1 3.64Å; Y430-Y600 HydrophobicContact CE1-CD1 3.64Å; Y430-Y600 HydrophobicContact CE1-CD2 4.45Å; Y430-Y600 AromaticContact CE1-CE1 3.49Å; Y430-Y600 HydrophobicContact CE1-CE1 3.49Å; Y430-Y600 VanDerWaalsContact CE1-CE1 3.49Å; Y430-Y600 HydrophobicContact CE1-CE2 4.32Å; Y430-Y600 HydrophobicContact CE1-CG 4.13Å; Y430-Y600 AromaticContact CE1-CZ 3.84Å; Y430-Y600 HydrophobicContact CE2-CD1 4.1Å; Y430-Y600 HydrophobicContact CE2-CD2 4.14Å; Y430-Y600 AromaticContact CE2-CG 3.82Å; Y430-Y600 HydrophobicContact CE2-CG 3.82Å; Y430-Y600 HydrophobicContact CG-CD2 4.23Å; Y430-Y600 HydrophobicContact CG-CE2 4.05Å; Y430-Y600 AromaticContact CZ-CD1 3.54Å; Y430-Y600 AromaticContact CZ-CE1 3.92Å; Y430-Y600 AromaticContact CZ-CG 3.76Å; Y430-C636 HydrophobicContact CE1-CB 4.45Å
431E86.6Confident80.4Confident14 Ų1469 Ų697%0.06534%0.337CS..Hα-helixtrans-78.9-41.2176.9-57.7171.2149.700111R428 P429 K433 R434 I435 M593 R597R428-E431 HydrophobicContact CB-CG 4.13Å; R428-E431 PolarHBondContact N-OE2 2.89Å; R428-E431 WeakPolarHBondContact O-CB 3.25Å; R428-E431 PolarHBondContact O-N 3.14Å; P429-E431 VanDerWaalsContact C-N 3.3Å; P429-E431 PolarHBondContact O-N 2.96Å; E431-K433 PolarHBondContact O-N 3.37Å; E431-R434 PolarHBondContact O-N 3.43Å; E431-R434 VanDerWaalsContact O-N 3.08Å; E431-I435 WeakPolarHBondContact O-CD1 3.43Å; E431-I435 WeakPolarHBondContact O-CG1 3.47Å; E431-M593 HydrophobicContact CB-CE 4.44Å; E431-R597 IonicContact OE1-CZ 3.77Å; E431-R597 IonicContact OE1-NE 2.71Å; E431-R597 PolarHBondContact OE1-NE 3.27Å; E431-R597 IonicContact OE1-NH2 3.69Å; E431-R597 PolarHBondContact OE1-NH2 3.16Å; E431-R597 IonicContact OE2-CZ 3.4Å; E431-R597 IonicContact OE2-NE 3.24Å; E431-R597 IonicContact OE2-NH2 3.21Å; E431-R597 PolarHBondContact OE2-NH2 3.1Å
432K81.6Confident79.9Confident130 Ų13072.3 Ų72.357%0.56536%0.355SS*.Hα-helixtrans-59.1-30.7177.7-71.5-175.4179.6-175.10112.9L427 R428 R434 I435L427-K432 HydrophobicContact CB-CG 3.98Å; L427-K432 WeakPolarHBondContact O-CE 3.47Å; R428-K432 PolarHBondContact O-N 3.35Å; K432-R434 PolarHBondContact O-N 3Å; K432-I435 PolarHBondContact O-N 3.06Å; K432-I435 VanDerWaalsContact O-O 3.1Å
433K78.4Confident79.4Confident183 Ų18372 Ų7280%0.79635%0.354SS*.THydrogen-bonded Turntrans-63.1-28.4177.3-75.3-175.9178-169.10113.4P429 E431P429-K433 PolarHBondContact O-N 2.97Å; E431-K433 PolarHBondContact O-N 3.37Å
434R77.9Confident78.8Confident104 Ų10472.8 Ų72.839%0.39236%0.359SS..THydrogen-bonded Turntrans-87.8-18.4-178.8-173.6173174.8-150.6-3.3112.3V403 E431 K432 D592V403-R434 HydrophobicContact CG1-CG 4.15Å; V403-R434 WeakPolarHBondContact CG1-O 3.4Å; E431-R434 PolarHBondContact O-N 3.43Å; E431-R434 VanDerWaalsContact O-N 3.08Å; K432-R434 PolarHBondContact O-N 3Å; R434-D592 IonicContact CZ-OD2 2.72Å; R434-D592 IonicContact NH1-OD2 3.26Å; R434-D592 PolarHBondContact NH1-OD2 2.99Å; R434-D592 IonicContact NH2-OD2 3.74Å; R434-D592 PolarHBondContact NH2-OD2 3.1Å
435I79.8Confident78.3Confident16 Ų1676.1 Ų76.18%0.08239%0.386CS..  trans-117.9128.7-163.6-57.7163.6000110.2V403 L405 E431 K432 M593V403-I435 WeakPolarHBondContact O-CA 3.34Å; L405-I435 HydrophobicContact CB-CG2 4.46Å; L405-I435 HydrophobicContact CD1-CG2 3.42Å; L405-I435 VanDerWaalsContact CD1-CG2 3.42Å; L405-I435 HydrophobicContact CD2-CG2 3.98Å; L405-I435 HydrophobicContact CG-CG2 3.3Å; E431-I435 WeakPolarHBondContact O-CD1 3.43Å; E431-I435 WeakPolarHBondContact O-CG1 3.47Å; K432-I435 PolarHBondContact O-N 3.06Å; K432-I435 VanDerWaalsContact O-O 3.1Å; I435-M593 HydrophobicContact CD1-CE 3.19Å; I435-M593 HydrophobicContact CD1-CG 4.35Å; I435-M593 HydrophobicContact CD1-SD 3.31Å; I435-M593 WeakPolarHBondContact CD1-SD 3.4Å; I435-M593 HydrophobicContact CG1-SD 4.25Å
436N76.3Confident78Confident28 Ų2874.7 Ų74.715%0.1539%0.387CS..BIsolated β-bridgetrans-108139.8179.5-65-0.2000109.5V403 Y404 L405 N444V403-N436 PolarHBondContact O-N 3.28Å; Y404-N436 VanDerWaalsContact CA-O 3.31Å; Y404-N436 WeakPolarHBondContact CA-O 3.47Å; Y404-N436 HydrophobicContact CD1-CB 4.32Å; Y404-N436 HydrophobicContact CE1-CB 4.35Å; L405-N436 PolarHBondContact N-O 2.84Å; N436-N444 PolarHBondContact ND2-ND2 2.85Å; N436-N444 VanDerWaalsContact ND2-ND2 3.17Å
437N72.6Confident77.8Confident64 Ų6472.8 Ų72.834%0.34237%0.374SS..  trans-85.3122.9166.7-178.5-8.3000107.4L439 T440N437-L439 PolarHBondContact O-N 3.4Å; N437-L439 VanDerWaalsContact O-N 3.11Å; N437-L439 PolarHBondContact OD1-N 3.2Å; N437-L439 VanDerWaalsContact OD1-N 3.13Å; N437-T440 HydrophobicContact CB-CG2 3.64Å; N437-T440 PolarHBondContact O-N 2.64Å; N437-T440 VanDerWaalsContact O-N 3.14Å; N437-T440 PolarHBondContact O-OG1 3.21Å
438P70.4Confident77.7Confident38 Ų3875.9 Ų75.925%0.24739%0.387CS..THydrogen-bonded Turntrans-56.4-31-179.521.7-32.7000112.4Y404 L405 R568Y404-P438 HydrophobicContact CD1-CB 4.01Å; L405-P438 WeakPolarHBondContact O-CD 3.48Å; P438-R568 WeakPolarHBondContact O-CD 2.97Å; P438-R568 PolarHBondContact O-NH1 2.96Å
439L71.2Confident77.7Confident151 Ų15183.5 Ų83.579%0.79142%0.421SS*.THydrogen-bonded Turntrans-89.2-2.5-176.1-65.2165.1000114.4N437N437-L439 PolarHBondContact O-N 3.4Å; N437-L439 VanDerWaalsContact O-N 3.11Å; N437-L439 PolarHBondContact OD1-N 3.2Å; N437-L439 VanDerWaalsContact OD1-N 3.13Å
440T75.3Confident77.6Confident60 Ų6084.8 Ų84.837%0.36842%0.423SS..  trans-78.9128.4179.142.90000111.9N437 K442 R568N437-T440 HydrophobicContact CB-CG2 3.64Å; N437-T440 PolarHBondContact O-N 2.64Å; N437-T440 VanDerWaalsContact O-N 3.14Å; N437-T440 PolarHBondContact O-OG1 3.21Å; T440-K442 PolarHBondContact O-N 3.44Å; T440-K442 VanDerWaalsContact O-N 3.09Å; T440-R568 PolarHBondContact O-NH1 3.2Å
441L72.1Confident77.7Confident133 Ų13383.8 Ų83.870%0.69642%0.421SS*.  trans-68.3-4.4177.7-72.8162.3000114.7Y565L441-Y565 HydrophobicContact CD2-CE1 4.03Å; L441-Y565 PolarHBondContact O-OH 3.07Å
442K77.7Confident77.5Confident175 Ų17589.4 Ų89.476%0.76145%0.445SS*.SBendtrans-82.5125-179.5-67.1-172.6177.5-175.20110.2T440 R568T440-K442 PolarHBondContact O-N 3.44Å; T440-K442 VanDerWaalsContact O-N 3.09Å; K442-R568 PolarHBondContact O-NH2 3.16Å
443P73.7Confident77.5Confident53 Ų5391.9 Ų91.934%0.34445%0.451SS..PPolyproline II helixtrans-69.7143.2176.428.2-33.2000110.4E447 I564P443-E447 VanDerWaalsContact CA-OE2 3.27Å; P443-E447 WeakPolarHBondContact CA-OE2 3.08Å; P443-E447 HydrophobicContact CB-CB 4.1Å; P443-I564 HydrophobicContact CB-CG2 4.49Å
444N75.8Confident77.6Confident65 Ų6583.3 Ų83.335%0.34842%0.415SS..PPolyproline II helixtrans-71.6160.7169-166.84.3000110.1N436 V446 E447 Q448N436-N444 PolarHBondContact ND2-ND2 2.85Å; N436-N444 VanDerWaalsContact ND2-ND2 3.17Å; N444-V446 PolarHBondContact O-N 2.86Å; N444-V446 VanDerWaalsContact O-N 3.15Å; N444-E447 HydrophobicContact CB-CB 4.33Å; N444-E447 HydrophobicContact CB-CG 4.09Å; N444-E447 PolarHBondContact N-OE2 3.49Å; N444-E447 CarbonylContact O-C 3.58Å; N444-E447 WeakPolarHBondContact O-CB 3.44Å; N444-E447 PolarHBondContact O-N 3.49Å; N444-Q448 WeakPolarHBondContact O-CB 3.39Å; N444-Q448 PolarHBondContact O-N 3.22Å
445A78.1Confident77.9Confident70 Ų7080.6 Ų80.658%0.57941%0.408SS*.Hα-helixtrans-56-35.8178.700000112.7K449A445-K449 PolarHBondContact O-N 3.4Å; A445-K449 VanDerWaalsContact O-N 3.15Å
446V77.6Confident78.1Confident91 Ų9181.8 Ų81.855%0.55242%0.424SS*.Hα-helixtrans-67.5-44.7175.1-178.20000111.4N444 K449 Q450N444-V446 PolarHBondContact O-N 2.86Å; N444-V446 VanDerWaalsContact O-N 3.15Å; V446-K449 PolarHBondContact O-N 3.3Å; V446-Q450 WeakPolarHBondContact O-CG 3.39Å; V446-Q450 PolarHBondContact O-N 2.95Å; V446-Q450 VanDerWaalsContact O-N 3.09Å
447E80.2Confident78.5Confident13 Ų1385.7 Ų85.76%0.06144%0.44CS..Hα-helixtrans-66.8-37.6179.1-69.3170.6177.900111.5P443 N444 Q450 L451 I564 R568P443-E447 VanDerWaalsContact CA-OE2 3.27Å; P443-E447 WeakPolarHBondContact CA-OE2 3.08Å; P443-E447 HydrophobicContact CB-CB 4.1Å; N444-E447 HydrophobicContact CB-CB 4.33Å; N444-E447 HydrophobicContact CB-CG 4.09Å; N444-E447 PolarHBondContact N-OE2 3.49Å; N444-E447 CarbonylContact O-C 3.58Å; N444-E447 WeakPolarHBondContact O-CB 3.44Å; N444-E447 PolarHBondContact O-N 3.49Å; E447-Q450 WeakPolarHBondContact O-CB 3.3Å; E447-Q450 PolarHBondContact O-N 3.04Å; E447-L451 PolarHBondContact O-N 3.29Å; E447-I564 HydrophobicContact CB-CG2 3.64Å; E447-I564 HydrophobicContact CG-CG2 3.85Å; E447-R568 IonicContact OE1-CZ 3.17Å; E447-R568 IonicContact OE1-NE 2.67Å; E447-R568 PolarHBondContact OE1-NE 3.34Å; E447-R568 IonicContact OE1-NH2 2.62Å; E447-R568 PolarHBondContact OE1-NH2 2.92Å; E447-R568 IonicContact OE2-CZ 2.77Å; E447-R568 IonicContact OE2-NE 2.68Å; E447-R568 IonicContact OE2-NH2 3.72Å; E447-R568 PolarHBondContact OE2-NH2 2.93Å
448Q81.6Confident79.2Confident94 Ų9483.4 Ų83.444%0.43943%0.428SS..Hα-helixtrans-64.3-42.2175.5-172.9178.115.300111.3N444 Q450 L451 F452N444-Q448 WeakPolarHBondContact O-CB 3.39Å; N444-Q448 PolarHBondContact O-N 3.22Å; Q448-Q450 VanDerWaalsContact C-N 3.29Å; Q448-Q450 PolarHBondContact O-N 3.02Å; Q448-L451 WeakPolarHBondContact O-CB 3.49Å; Q448-L451 PolarHBondContact O-N 3.25Å; Q448-F452 HydrophobicContact CG-CD2 3.9Å; Q448-F452 HydrophobicContact CG-CE2 3.58Å; Q448-F452 WeakPolarHBondContact O-CD2 3.05Å; Q448-F452 PolarHBondContact O-N 3.05Å; Q448-F452 VanDerWaalsContact O-N 3.07Å
449K82.9Confident80.1Confident169 Ų16986.4 Ų86.474%0.73544%0.44SS*.Hα-helixtrans-62.8-37.7174.8-170.6175.7-178.4177.50111.7A445 V446 R453A445-K449 PolarHBondContact O-N 3.4Å; A445-K449 VanDerWaalsContact O-N 3.15Å; V446-K449 PolarHBondContact O-N 3.3Å; K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 PolarHBondContact O-N 2.98Å; K449-R453 VanDerWaalsContact O-N 3.14Å
450Q78.8Confident81Confident75 Ų7584 Ų8435%0.3543%0.429SS..Hα-helixtrans-66.5-42.5175.1-73174.7-13.200112.1L82 V446 E447 Q448 R453 G454L82-Q450 HydrophobicContact CD2-CB 4.04Å; V446-Q450 WeakPolarHBondContact O-CG 3.39Å; V446-Q450 PolarHBondContact O-N 2.95Å; V446-Q450 VanDerWaalsContact O-N 3.09Å; E447-Q450 WeakPolarHBondContact O-CB 3.3Å; E447-Q450 PolarHBondContact O-N 3.04Å; Q448-Q450 VanDerWaalsContact C-N 3.29Å; Q448-Q450 PolarHBondContact O-N 3.02Å; Q450-R453 PolarHBondContact O-N 2.85Å; Q450-G454 PolarHBondContact O-N 2.81Å
451L82.1Confident81.6Confident34 Ų3481.8 Ų81.818%0.17841%0.414CS..Hα-helixtrans-57.1-51.9175.3178.359000111.8E447 Q448 R453 G454 L455 S560 I564E447-L451 PolarHBondContact O-N 3.29Å; Q448-L451 WeakPolarHBondContact O-CB 3.49Å; Q448-L451 PolarHBondContact O-N 3.25Å; L451-R453 VanDerWaalsContact C-N 3.29Å; L451-R453 PolarHBondContact O-N 2.99Å; L451-G454 PolarHBondContact O-N 3.49Å; L451-G454 VanDerWaalsContact O-N 3.12Å; L451-L455 HydrophobicContact CD1-CD1 3.83Å; L451-L455 HydrophobicContact CD1-CG 3.98Å; L451-L455 HydrophobicContact CG-CD1 3.89Å; L451-L455 HydrophobicContact CG-CG 4.42Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.15Å; L451-S560 VanDerWaalsContact CD1-O 3.32Å; L451-S560 WeakPolarHBondContact CD1-O 3.37Å; L451-I564 HydrophobicContact CB-CD1 3.74Å; L451-I564 HydrophobicContact CD1-CD1 4Å; L451-I564 HydrophobicContact CD2-CD1 3.9Å; L451-I564 HydrophobicContact CG-CD1 4.06Å
452F83.7Confident82.6Confident131 Ų13178.5 Ų78.558%0.57540%0.397SS*.Hα-helixtrans-62.3-37.6179.6-77.3-63.8000112.3Q448 G456Q448-F452 HydrophobicContact CG-CD2 3.9Å; Q448-F452 HydrophobicContact CG-CE2 3.58Å; Q448-F452 WeakPolarHBondContact O-CD2 3.05Å; Q448-F452 PolarHBondContact O-N 3.05Å; Q448-F452 VanDerWaalsContact O-N 3.07Å; F452-G456 PolarHBondContact O-N 3.41Å
453R81Confident83.3Confident182 Ų18275.4 Ų75.469%0.68739%0.388SS*.Hα-helixtrans-65.4-39.2174.4-169.6178.8-176.2-175.40.4111.9K449 Q450 L451 K457K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 PolarHBondContact O-N 2.98Å; K449-R453 VanDerWaalsContact O-N 3.14Å; Q450-R453 PolarHBondContact O-N 2.85Å; L451-R453 VanDerWaalsContact C-N 3.29Å; L451-R453 PolarHBondContact O-N 2.99Å; R453-K457 WeakPolarHBondContact O-CG 3.35Å; R453-K457 PolarHBondContact O-N 3.48Å
454G80.1Confident84.1Confident4 Ų476.6 Ų76.64%0.04139%0.394CS..Hα-helixtrans-66.6-48.2176.200000112.6Q450 L451 G456 K457 L458Q450-G454 PolarHBondContact O-N 2.81Å; L451-G454 PolarHBondContact O-N 3.49Å; L451-G454 VanDerWaalsContact O-N 3.12Å; G454-G456 PolarHBondContact O-N 2.83Å; G454-K457 PolarHBondContact O-N 2.74Å; G454-L458 PolarHBondContact O-N 3.27Å
455L85.2Confident84.9Confident47 Ų4773.5 Ų73.525%0.24638%0.377CS..Hα-helixtrans-61.7-42.9177-72.4171.5000112L451 K457 L458 I459 L557L451-L455 HydrophobicContact CD1-CD1 3.83Å; L451-L455 HydrophobicContact CD1-CG 3.98Å; L451-L455 HydrophobicContact CG-CD1 3.89Å; L451-L455 HydrophobicContact CG-CG 4.42Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.15Å; L455-K457 VanDerWaalsContact C-N 3.3Å; L455-K457 PolarHBondContact O-N 2.94Å; L455-L458 WeakPolarHBondContact O-CB 3.4Å; L455-L458 PolarHBondContact O-N 2.83Å; L455-L458 VanDerWaalsContact O-N 3.13Å; L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.48Å; L455-I459 PolarHBondContact O-N 3.25Å; L455-L557 HydrophobicContact CD2-CD1 4.34Å
456G84.5Confident85.6Confident41 Ų4172.4 Ų72.442%0.42336%0.363SS..Hα-helixtrans-59.9-39.7176.700000112.8F452 G454 N460F452-G456 PolarHBondContact O-N 3.41Å; G454-G456 PolarHBondContact O-N 2.83Å; G456-N460 PolarHBondContact O-N 2.93Å
457K83.3Confident86.3Confident110 Ų11071 Ų7148%0.47836%0.357SS..Hα-helixtrans-65.8-41.6173.4-72.1179176.3-168.60112.2R453 G454 L455 N460 L461R453-K457 WeakPolarHBondContact O-CG 3.35Å; R453-K457 PolarHBondContact O-N 3.48Å; G454-K457 PolarHBondContact O-N 2.74Å; L455-K457 VanDerWaalsContact C-N 3.3Å; L455-K457 PolarHBondContact O-N 2.94Å; K457-N460 PolarHBondContact O-N 3.43Å; K457-L461 PolarHBondContact O-N 3.07Å; K457-L461 VanDerWaalsContact O-N 3.1Å
458L88.4Confident86.8Confident16 Ų1672.8 Ų72.88%0.08437%0.367CS..Hα-helixtrans-64.2-41.9178.9-175.962.2000112.1G454 L455 L461 L462 F553 L556 L557G454-L458 PolarHBondContact O-N 3.27Å; L455-L458 WeakPolarHBondContact O-CB 3.4Å; L455-L458 PolarHBondContact O-N 2.83Å; L455-L458 VanDerWaalsContact O-N 3.13Å; L458-L461 PolarHBondContact O-N 2.93Å; L458-L462 WeakPolarHBondContact O-CB 3.22Å; L458-L462 PolarHBondContact O-N 3.11Å; L458-F553 HydrophobicContact CD1-CD1 3.92Å; L458-F553 HydrophobicContact CD1-CE1 4.26Å; L458-L556 HydrophobicContact CD1-CB 3.59Å; L458-L556 HydrophobicContact CD1-CD1 3.88Å; L458-L556 HydrophobicContact CD1-CG 4.37Å; L458-L557 HydrophobicContact CD2-CB 4.13Å; L458-L557 HydrophobicContact CD2-CD1 4Å
459I89.9Confident87.3Confident100 Ų10069.5 Ų69.551%0.51335%0.352SS..Hα-helixtrans-62.4-44.4177.7-68.9165.4000110.7L455 L461 L462 I463L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.48Å; L455-I459 PolarHBondContact O-N 3.25Å; I459-L461 PolarHBondContact O-N 3.32Å; I459-L462 WeakPolarHBondContact O-CB 3.23Å; I459-L462 PolarHBondContact O-N 3.44Å; I459-I463 HydrophobicContact CG2-CD1 4.03Å; I459-I463 WeakPolarHBondContact O-CG1 3.38Å; I459-I463 PolarHBondContact O-N 3.15Å
460N88.2Confident87.8Confident102 Ų10265.5 Ų65.555%0.54534%0.338SS..Hα-helixtrans-60.7-47.4177-171.7-27.4000111G456 K457 L462 I463 V464G456-N460 PolarHBondContact O-N 2.93Å; K457-N460 PolarHBondContact O-N 3.43Å; N460-L462 VanDerWaalsContact C-N 3.28Å; N460-L462 PolarHBondContact O-N 2.74Å; N460-I463 PolarHBondContact O-N 2.76Å; N460-I463 VanDerWaalsContact O-N 3.16Å; N460-V464 PolarHBondContact O-N 2.95Å; N460-V464 VanDerWaalsContact O-N 3.09Å
461L89.6Confident88.5Confident13 Ų1365.6 Ų65.67%0.06834%0.344CS..Hα-helixtrans-60.9-37.3177-17458.4000112.8Q89 L92 M93 K457 L458 I459 V464 A465 F553 L556Q89-L461 HydrophobicContact CB-CD2 4.13Å; Q89-L461 HydrophobicContact CG-CD2 3.69Å; L92-L461 HydrophobicContact CD2-CD2 3.73Å; L92-L461 HydrophobicContact CD2-CG 4.15Å; M93-L461 HydrophobicContact CE-CD1 3.6Å; M93-L461 HydrophobicContact CG-CD1 4.18Å; K457-L461 PolarHBondContact O-N 3.07Å; K457-L461 VanDerWaalsContact O-N 3.1Å; L458-L461 PolarHBondContact O-N 2.93Å; I459-L461 PolarHBondContact O-N 3.32Å; L461-V464 PolarHBondContact O-N 3.46Å; L461-A465 WeakPolarHBondContact O-CB 3.37Å; L461-A465 PolarHBondContact O-N 2.84Å; L461-F553 HydrophobicContact CG-CE1 4.23Å; L461-F553 HydrophobicContact CG-CZ 4.35Å; L461-L556 HydrophobicContact CD2-CD1 4.13Å
462L92.6Very high89Confident64 Ų6464.2 Ų64.234%0.33534%0.337SS..Hα-helixtrans-63.1-44.7175.1-177.868.5000111.6L458 I459 N460 V464 A465 V466 W550 F553L458-L462 WeakPolarHBondContact O-CB 3.22Å; L458-L462 PolarHBondContact O-N 3.11Å; I459-L462 WeakPolarHBondContact O-CB 3.23Å; I459-L462 PolarHBondContact O-N 3.44Å; N460-L462 VanDerWaalsContact C-N 3.28Å; N460-L462 PolarHBondContact O-N 2.74Å; L462-V464 PolarHBondContact O-N 3.3Å; L462-A465 PolarHBondContact O-N 3.11Å; L462-V466 HydrophobicContact CD1-CG2 3.88Å; L462-V466 HydrophobicContact CG-CG2 4.18Å; L462-V466 VanDerWaalsContact O-CB 3.3Å; L462-V466 WeakPolarHBondContact O-CB 3.4Å; L462-V466 VanDerWaalsContact O-CG2 3.23Å; L462-V466 WeakPolarHBondContact O-CG2 3.33Å; L462-V466 PolarHBondContact O-N 2.73Å; L462-W550 HydrophobicContact CD1-CH2 4.4Å; L462-W550 HydrophobicContact CD1-CZ3 3.96Å; L462-F553 HydrophobicContact CB-CD1 4.43Å; L462-F553 HydrophobicContact CB-CE1 3.79Å; L462-F553 HydrophobicContact CB-CZ 4.24Å; L462-F553 HydrophobicContact CD1-CD1 3.95Å; L462-F553 HydrophobicContact CD1-CD2 4.25Å; L462-F553 HydrophobicContact CD1-CE1 3.81Å; L462-F553 HydrophobicContact CD1-CE2 4.11Å; L462-F553 HydrophobicContact CD1-CG 4.18Å; L462-F553 HydrophobicContact CD1-CZ 3.9Å; L462-F553 HydrophobicContact CG-CE1 4.44Å
463I93.2Very high89.4Confident110 Ų11062.8 Ų62.856%0.56433%0.331SS*.Hα-helixtrans-60-47177.6-67.3164.3000110.3I459 N460 S467I459-I463 HydrophobicContact CG2-CD1 4.03Å; I459-I463 WeakPolarHBondContact O-CG1 3.38Å; I459-I463 PolarHBondContact O-N 3.15Å; N460-I463 PolarHBondContact O-N 2.76Å; N460-I463 VanDerWaalsContact O-N 3.16Å; I463-S467 VanDerWaalsContact O-CB 3.27Å; I463-S467 WeakPolarHBondContact O-CB 3.46Å; I463-S467 PolarHBondContact O-N 3.32Å; I463-S467 PolarHBondContact O-OG 3Å
464V90.6Very high89.9Confident77 Ų7758.2 Ų58.247%0.46732%0.318SS..Hα-helixtrans-61.5-49.1178.2177.40000111N460 L461 L462 S467 L468N460-V464 PolarHBondContact O-N 2.95Å; N460-V464 VanDerWaalsContact O-N 3.09Å; L461-V464 PolarHBondContact O-N 3.46Å; L462-V464 PolarHBondContact O-N 3.3Å; V464-S467 PolarHBondContact O-N 2.93Å; V464-S467 PolarHBondContact O-OG 2.71Å; V464-L468 PolarHBondContact O-N 2.94Å; V464-L468 VanDerWaalsContact O-N 3.13Å
465A91.6Very high90.5Very high0 Ų060.2 Ų60.20%033%0.325CS..Hα-helixtrans-62.6-47.3-179.500000113L96 L461 L462 S467 L468 I469 F553L96-A465 HydrophobicContact CD1-CB 3.49Å; L96-A465 VanDerWaalsContact CD1-CB 3.49Å; L96-A465 HydrophobicContact CD2-CB 3.9Å; L96-A465 HydrophobicContact CG-CB 4.36Å; L461-A465 WeakPolarHBondContact O-CB 3.37Å; L461-A465 PolarHBondContact O-N 2.84Å; L462-A465 PolarHBondContact O-N 3.11Å; A465-S467 VanDerWaalsContact C-N 3.32Å; A465-S467 PolarHBondContact O-N 3.06Å; A465-L468 PolarHBondContact O-N 3.35Å; A465-I469 WeakPolarHBondContact O-CD1 3.36Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 2.87Å; A465-I469 VanDerWaalsContact O-N 3.08Å; A465-F553 HydrophobicContact CB-CE2 3.63Å; A465-F553 HydrophobicContact CB-CZ 3.47Å; A465-F553 VanDerWaalsContact CB-CZ 3.47Å
466V92.8Very high91Very high48 Ų4860 Ų6029%0.29132%0.322SS..Hα-helixtrans-63.3-40.9179.1170.30000110.5L462 L468 I469 I470 W550L462-V466 HydrophobicContact CD1-CG2 3.88Å; L462-V466 HydrophobicContact CG-CG2 4.18Å; L462-V466 VanDerWaalsContact O-CB 3.3Å; L462-V466 WeakPolarHBondContact O-CB 3.4Å; L462-V466 VanDerWaalsContact O-CG2 3.23Å; L462-V466 WeakPolarHBondContact O-CG2 3.33Å; L462-V466 PolarHBondContact O-N 2.73Å; V466-L468 PolarHBondContact O-N 2.98Å; V466-I469 PolarHBondContact O-N 2.9Å; V466-I470 HydrophobicContact CG1-CD1 3.56Å; V466-I470 HydrophobicContact CG1-CG1 4.2Å; V466-I470 WeakPolarHBondContact O-CB 3.27Å; V466-I470 VanDerWaalsContact O-CG1 3.23Å; V466-I470 WeakPolarHBondContact O-CG1 3.03Å; V466-I470 PolarHBondContact O-N 2.97Å; V466-W550 HydrophobicContact CG2-CH2 4.04Å
467S91.8Very high91.4Very high60 Ų6061.7 Ų61.742%0.4232%0.319SS..Hα-helixtrans-60.3-43.7176.871.80000112.4I463 V464 A465 I470 V471I463-S467 VanDerWaalsContact O-CB 3.27Å; I463-S467 WeakPolarHBondContact O-CB 3.46Å; I463-S467 PolarHBondContact O-N 3.32Å; I463-S467 PolarHBondContact O-OG 3Å; V464-S467 PolarHBondContact O-N 2.93Å; V464-S467 PolarHBondContact O-OG 2.71Å; A465-S467 VanDerWaalsContact C-N 3.32Å; A465-S467 PolarHBondContact O-N 3.06Å; S467-I470 PolarHBondContact O-N 3.39Å; S467-V471 VanDerWaalsContact O-CG2 3.28Å; S467-V471 WeakPolarHBondContact O-CG2 3.29Å; S467-V471 PolarHBondContact O-N 3.42Å
468L90.5Very high91.9Very high51 Ų5162 Ų6227%0.26732%0.323SS..Hα-helixtrans-63.4-44.7177.5-169.675.4000112.1L96 A100 V464 A465 V466 V471 D472L96-L468 HydrophobicContact CB-CD2 4.19Å; A100-L468 HydrophobicContact CB-CD2 3.94Å; A100-L468 HydrophobicContact CB-CG 4.04Å; V464-L468 PolarHBondContact O-N 2.94Å; V464-L468 VanDerWaalsContact O-N 3.13Å; A465-L468 PolarHBondContact O-N 3.35Å; V466-L468 PolarHBondContact O-N 2.98Å; L468-V471 PolarHBondContact O-N 3.5Å; L468-D472 PolarHBondContact O-N 3.49Å
469I92.2Very high92.1Very high26 Ų2661.9 Ų61.913%0.13332%0.323CS..Hα-helixtrans-64.6-41.6178.2-65.6159.8000110.7L96 A100 A465 V466 D472 Q473 L546 I549L96-I469 HydrophobicContact CD2-CD1 4.21Å; L96-I469 HydrophobicContact CD2-CG1 4.37Å; A100-I469 HydrophobicContact CB-CG1 4.42Å; A465-I469 WeakPolarHBondContact O-CD1 3.36Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 2.87Å; A465-I469 VanDerWaalsContact O-N 3.08Å; V466-I469 PolarHBondContact O-N 2.9Å; I469-D472 PolarHBondContact O-N 3.28Å; I469-Q473 WeakPolarHBondContact O-CB 3.47Å; I469-Q473 PolarHBondContact O-N 3.02Å; I469-L546 HydrophobicContact CD1-CD1 3.7Å; I469-L546 HydrophobicContact CG1-CD1 4.13Å; I469-L546 HydrophobicContact CG2-CD1 4.07Å; I469-I549 HydrophobicContact CD1-CG2 4.27Å
470I93.5Very high92.2Very high84 Ų8461.8 Ų61.843%0.43132%0.32SS..Hα-helixtrans-63.3-45.8176.2-70.5170.1000110.4V466 S467 D472 Q473 Q474V466-I470 HydrophobicContact CG1-CD1 3.56Å; V466-I470 HydrophobicContact CG1-CG1 4.2Å; V466-I470 WeakPolarHBondContact O-CB 3.27Å; V466-I470 VanDerWaalsContact O-CG1 3.23Å; V466-I470 WeakPolarHBondContact O-CG1 3.03Å; V466-I470 PolarHBondContact O-N 2.97Å; S467-I470 PolarHBondContact O-N 3.39Å; I470-D472 VanDerWaalsContact C-N 3.35Å; I470-D472 PolarHBondContact O-N 3Å; I470-Q473 PolarHBondContact O-N 3.24Å; I470-Q474 HydrophobicContact CG2-CG 4.09Å; I470-Q474 WeakPolarHBondContact O-CB 3.43Å; I470-Q474 VanDerWaalsContact O-CG 3.22Å; I470-Q474 WeakPolarHBondContact O-CG 3.33Å; I470-Q474 PolarHBondContact O-N 3.44Å
471V93.2Very high92.4Very high78 Ų7861.5 Ų61.547%0.47332%0.318SS..Hα-helixtrans-60.2-45.5178.6168.90000111L104 S467 L468 Q474 F475L104-V471 HydrophobicContact CD1-CG1 4.16Å; L104-V471 HydrophobicContact CD2-CG1 4.05Å; S467-V471 VanDerWaalsContact O-CG2 3.28Å; S467-V471 WeakPolarHBondContact O-CG2 3.29Å; S467-V471 PolarHBondContact O-N 3.42Å; L468-V471 PolarHBondContact O-N 3.5Å; V471-Q474 PolarHBondContact O-N 2.91Å; V471-F475 VanDerWaalsContact O-CB 3.29Å; V471-F475 WeakPolarHBondContact O-CB 3.26Å; V471-F475 PolarHBondContact O-N 3.37Å
472D92.7Very high92.4Very high5 Ų563.2 Ų63.23%0.02733%0.334CS..Hα-helixtrans-61.6-46.4176.4178.665000112.2A100 N103 L104 L468 I469 I470 Q474 F475 Y476 T541A100-D472 HydrophobicContact CB-CB 4.3Å; N103-D472 PolarHBondContact ND2-OD1 3.2Å; N103-D472 PolarHBondContact ND2-OD2 2.84Å; N103-D472 VanDerWaalsContact ND2-OD2 3.14Å; L104-D472 WeakPolarHBondContact CA-OD1 3.48Å; L104-D472 PolarHBondContact N-OD1 2.71Å; L104-D472 VanDerWaalsContact N-OD1 3.17Å; L468-D472 PolarHBondContact O-N 3.49Å; I469-D472 PolarHBondContact O-N 3.28Å; I470-D472 VanDerWaalsContact C-N 3.35Å; I470-D472 PolarHBondContact O-N 3Å; D472-Q474 PolarHBondContact O-N 2.89Å; D472-F475 PolarHBondContact O-N 2.93Å; D472-Y476 WeakPolarHBondContact O-CB 3.44Å; D472-Y476 PolarHBondContact O-N 2.74Å; D472-T541 WeakPolarHBondContact OD2-CB 3.23Å; D472-T541 PolarHBondContact OD2-OG1 3.49Å
473Q92.1Very high92.3Very high100 Ų10061.9 Ų61.947%0.46733%0.329SS..Hα-helixtrans-63.2-43177.7-174.8-179.5-1.600112.4I469 I470 F475 Y476 Q477I469-Q473 WeakPolarHBondContact O-CB 3.47Å; I469-Q473 PolarHBondContact O-N 3.02Å; I470-Q473 PolarHBondContact O-N 3.24Å; Q473-F475 VanDerWaalsContact C-N 3.33Å; Q473-Y476 PolarHBondContact O-N 3.01Å; Q473-Q477 WeakPolarHBondContact O-CG 3.43Å; Q473-Q477 PolarHBondContact O-N 2.71Å
474Q92.8Very high92.1Very high87 Ų8763 Ų6341%0.40733%0.331SS..Hα-helixtrans-63.2-42.4176.5-72.9-60-49.200110.9I470 V471 D472 Q477 M478I470-Q474 HydrophobicContact CG2-CG 4.09Å; I470-Q474 WeakPolarHBondContact O-CB 3.43Å; I470-Q474 VanDerWaalsContact O-CG 3.22Å; I470-Q474 WeakPolarHBondContact O-CG 3.33Å; I470-Q474 PolarHBondContact O-N 3.44Å; V471-Q474 PolarHBondContact O-N 2.91Å; D472-Q474 PolarHBondContact O-N 2.89Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q474-M478 VanDerWaalsContact O-CG 3.29Å; Q474-M478 WeakPolarHBondContact O-CG 3.25Å; Q474-M478 PolarHBondContact O-N 3.01Å
475F92.6Very high92Very high45 Ų4567.6 Ų67.620%0.19734%0.342CS..Hα-helixtrans-66-41.3178.7-163.7-106.6000112.1L104 N107 F108 A111 V471 D472 Q473 M478 L479L104-F475 HydrophobicContact CD1-CB 3.83Å; L104-F475 HydrophobicContact CD1-CD1 3.91Å; L104-F475 HydrophobicContact CD1-CG 3.89Å; N107-F475 HydrophobicContact CB-CD1 3.64Å; N107-F475 HydrophobicContact CB-CE1 3.69Å; F108-F475 HydrophobicContact CB-CE1 4.18Å; F108-F475 HydrophobicContact CB-CZ 4.29Å; F108-F475 HydrophobicContact CD2-CE2 4.4Å; F108-F475 AromaticContact CD2-CZ 3.83Å; F108-F475 HydrophobicContact CD2-CZ 3.83Å; F108-F475 HydrophobicContact CG-CZ 4.45Å; A111-F475 HydrophobicContact CB-CZ 4.34Å; V471-F475 VanDerWaalsContact O-CB 3.29Å; V471-F475 WeakPolarHBondContact O-CB 3.26Å; V471-F475 PolarHBondContact O-N 3.37Å; D472-F475 PolarHBondContact O-N 2.93Å; Q473-F475 VanDerWaalsContact C-N 3.33Å; F475-M478 PolarHBondContact O-N 3.28Å; F475-L479 HydrophobicContact CD1-CD1 3.98Å; F475-L479 HydrophobicContact CD1-CG 4.44Å; F475-L479 HydrophobicContact CE1-CD1 3.69Å; F475-L479 HydrophobicContact CE1-CG 4.2Å; F475-L479 HydrophobicContact CZ-CD1 4.42Å; F475-L479 WeakPolarHBondContact O-CG 3.42Å; F475-L479 PolarHBondContact O-N 3.06Å
476Y94.3Very high91.8Very high43 Ų4369.1 Ų69.117%0.16935%0.352CS..Hα-helixtrans-56.8-48.8171168.3-97.8000112D472 Q473 M478 L479 Q480 P538 S539 E540D472-Y476 WeakPolarHBondContact O-CB 3.44Å; D472-Y476 PolarHBondContact O-N 2.74Å; Q473-Y476 PolarHBondContact O-N 3.01Å; Y476-M478 PolarHBondContact O-N 3.3Å; Y476-L479 PolarHBondContact O-N 3.48Å; Y476-Q480 WeakPolarHBondContact O-CB 3.46Å; Y476-Q480 PolarHBondContact O-N 3.45Å; Y476-P538 HydrophobicContact CD2-CB 3.78Å; Y476-P538 HydrophobicContact CD2-CG 4.49Å; Y476-P538 HydrophobicContact CE2-CB 3.84Å; Y476-P538 HydrophobicContact CE2-CG 4.09Å; Y476-S539 VanDerWaalsContact CD2-O 3.3Å; Y476-S539 WeakPolarHBondContact CD2-O 3.47Å; Y476-E540 HydrophobicContact CD2-CB 4.27Å; Y476-E540 HydrophobicContact CE1-CG 4.45Å; Y476-E540 HydrophobicContact CE2-CB 3.85Å
477Q93.7Very high91.5Very high77 Ų7768.4 Ų68.436%0.3636%0.355SS..Hα-helixtrans-62.1-41.6178.6-73.7176.1-7.600112.1Q473 Q474 L479 Q480 L481Q473-Q477 WeakPolarHBondContact O-CG 3.43Å; Q473-Q477 PolarHBondContact O-N 2.71Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q477-L479 PolarHBondContact O-N 2.95Å; Q477-Q480 PolarHBondContact O-N 2.99Å; Q477-L481 WeakPolarHBondContact O-CG 3.49Å; Q477-L481 PolarHBondContact O-N 3.5Å
478M92.9Very high91.2Very high116 Ų11670 Ų7057%0.57136%0.357SS*.Hα-helixtrans-60.1-44.1174.8-73.7178.8-176.900111.7Q474 F475 Y476 L481 A482Q474-M478 VanDerWaalsContact O-CG 3.29Å; Q474-M478 WeakPolarHBondContact O-CG 3.25Å; Q474-M478 PolarHBondContact O-N 3.01Å; F475-M478 PolarHBondContact O-N 3.28Å; Y476-M478 PolarHBondContact O-N 3.3Å; M478-L481 PolarHBondContact O-N 3.04Å; M478-A482 WeakPolarHBondContact O-CB 3.31Å; M478-A482 PolarHBondContact O-N 2.64Å
479L92.6Very high91.1Very high14 Ų1474.1 Ų74.17%0.07338%0.375CS..Hα-helixtrans-67.9-38.2177.2-68.9177.6000112.4N107 A111 F475 Y476 Q477 L481 A482 V483 T536 P538N107-L479 HydrophobicContact CB-CD1 3.63Å; A111-L479 HydrophobicContact CB-CD1 4.48Å; A111-L479 HydrophobicContact CB-CD2 3.54Å; F475-L479 HydrophobicContact CD1-CD1 3.98Å; F475-L479 HydrophobicContact CD1-CG 4.44Å; F475-L479 HydrophobicContact CE1-CD1 3.69Å; F475-L479 HydrophobicContact CE1-CG 4.2Å; F475-L479 HydrophobicContact CZ-CD1 4.42Å; F475-L479 WeakPolarHBondContact O-CG 3.42Å; F475-L479 PolarHBondContact O-N 3.06Å; Y476-L479 PolarHBondContact O-N 3.48Å; Q477-L479 PolarHBondContact O-N 2.95Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-A482 PolarHBondContact O-N 3.4Å; L479-V483 VanDerWaalsContact O-CG2 3.24Å; L479-V483 WeakPolarHBondContact O-CG2 3.45Å; L479-V483 PolarHBondContact O-N 2.91Å; L479-T536 HydrophobicContact CD2-CG2 4.4Å; L479-P538 HydrophobicContact CB-CB 3.87Å
480Q93.1Very high90.8Very high98 Ų9876.3 Ų76.346%0.45839%0.39SS..Hα-helixtrans-62.1-43.5176-170.8176.18.800111.5Y476 Q477 V483 Q484 P538Y476-Q480 WeakPolarHBondContact O-CB 3.46Å; Y476-Q480 PolarHBondContact O-N 3.45Å; Q477-Q480 PolarHBondContact O-N 2.99Å; Q480-V483 PolarHBondContact O-N 3.35Å; Q480-Q484 PolarHBondContact O-N 2.79Å; Q480-P538 HydrophobicContact CB-CG 4.35Å
481L92.1Very high90.6Very high95 Ų9577.1 Ų77.150%0.49739%0.39SS..Hα-helixtrans-62.1-44.3172.8-73167.2000111.5Q477 M478 L479 V483 Q484 Y485Q477-L481 WeakPolarHBondContact O-CG 3.49Å; Q477-L481 PolarHBondContact O-N 3.5Å; M478-L481 PolarHBondContact O-N 3.04Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L481-V483 VanDerWaalsContact C-N 3.29Å; L481-V483 PolarHBondContact O-N 3.38Å; L481-Q484 PolarHBondContact O-N 2.91Å; L481-Y485 HydrophobicContact CD2-CE2 4.23Å; L481-Y485 VanDerWaalsContact O-CD2 3.28Å; L481-Y485 WeakPolarHBondContact O-CD2 3.25Å; L481-Y485 PolarHBondContact O-N 3.21Å
482A90.7Very high90.2Very high50 Ų5074.3 Ų74.341%0.41337%0.372SS..Hα-helixtrans-58.9-41.6177.300000111.6M478 L479 Y485 S486M478-A482 WeakPolarHBondContact O-CB 3.31Å; M478-A482 PolarHBondContact O-N 2.64Å; L479-A482 PolarHBondContact O-N 3.4Å; A482-Y485 PolarHBondContact O-N 3.02Å; A482-S486 WeakPolarHBondContact O-CA 3.33Å; A482-S486 WeakPolarHBondContact O-CB 3.44Å; A482-S486 PolarHBondContact O-N 2.92Å; A482-S486 PolarHBondContact O-OG 3.18Å
483V89.9Confident90.1Very high36 Ų3680.3 Ų80.322%0.21840%0.4CS..Hα-helixtrans-66.1-40.7177.5173.50000111.8L479 Q480 L481 Y485 S486 T536L479-V483 VanDerWaalsContact O-CG2 3.24Å; L479-V483 WeakPolarHBondContact O-CG2 3.45Å; L479-V483 PolarHBondContact O-N 2.91Å; Q480-V483 PolarHBondContact O-N 3.35Å; L481-V483 VanDerWaalsContact C-N 3.29Å; L481-V483 PolarHBondContact O-N 3.38Å; V483-Y485 VanDerWaalsContact C-N 3.29Å; V483-Y485 PolarHBondContact O-N 2.71Å; V483-S486 PolarHBondContact O-OG 3.36Å; V483-T536 HydrophobicContact CG2-CG2 3.8Å; V483-T536 WeakPolarHBondContact CG2-O 3.33Å
484Q88.4Confident89.8Confident133 Ų13376.5 Ų76.562%0.62139%0.387SS*.Hα-helixtrans-62.5-34.7-179.9-173.8175.42.600112.9Q480 L481Q480-Q484 PolarHBondContact O-N 2.79Å; L481-Q484 PolarHBondContact O-N 2.91Å
485Y87.9Confident89.6Confident174 Ų17480.5 Ų80.568%0.68240%0.403SS*.Hα-helixtrans-107.9-7.8-175.7-65-70.5000114.9L481 A482 V483L481-Y485 HydrophobicContact CD2-CE2 4.23Å; L481-Y485 VanDerWaalsContact O-CD2 3.28Å; L481-Y485 WeakPolarHBondContact O-CD2 3.25Å; L481-Y485 PolarHBondContact O-N 3.21Å; A482-Y485 PolarHBondContact O-N 3.02Å; V483-Y485 VanDerWaalsContact C-N 3.29Å; V483-Y485 PolarHBondContact O-N 2.71Å
486S87.5Confident89.2Confident32 Ų3280.7 Ų80.722%0.22441%0.405CS..Hα-helixtrans-82.9-14.3-178.555.10000114A482 V483 I488 N531A482-S486 WeakPolarHBondContact O-CA 3.33Å; A482-S486 WeakPolarHBondContact O-CB 3.44Å; A482-S486 PolarHBondContact O-N 2.92Å; A482-S486 PolarHBondContact O-OG 3.18Å; V483-S486 PolarHBondContact O-OG 3.36Å; S486-I488 PolarHBondContact O-N 2.87Å; S486-N531 PolarHBondContact O-ND2 2.75Å; S486-N531 PolarHBondContact O-OD1 3.02Å
487G86.5Confident88.7Confident33 Ų3383.3 Ų83.334%0.3442%0.422SS..  trans-72.1109.9-178.700000113.6
488I86.8Confident88Confident92 Ų9281 Ų8147%0.47241%0.412SS..  trans-131.2127.9-179.2-52.3171.7000108.6S486 V490 N531S486-I488 PolarHBondContact O-N 2.87Å; I488-V490 HydrophobicContact CG2-CG2 3.48Å; I488-V490 VanDerWaalsContact CG2-CG2 3.48Å; I488-N531 PolarHBondContact N-OD1 3.4Å; I488-N531 PolarHBondContact O-N 3.33Å; I488-N531 PolarHBondContact O-OD1 3.22Å
489E88.2Confident87.3Confident139 Ų13980.4 Ų80.465%0.6542%0.419SS*.EExtended strand (participates in β ladder)trans-105.9112.5165.6-63.7-175.4163.900107.9H532E489-H532 IonicContact OE1-CD2 2.86Å; E489-H532 IonicContact OE1-NE2 3.53Å
490V85.3Confident86.4Confident72 Ų7282.4 Ų82.444%0.43643%0.432SS..EExtended strand (participates in β ladder)trans-107116.5179.2-175.60000108.6I488 Q492 I529I488-V490 HydrophobicContact CG2-CG2 3.48Å; I488-V490 VanDerWaalsContact CG2-CG2 3.48Å; V490-Q492 PolarHBondContact O-N 2.85Å; V490-I529 PolarHBondContact N-O 3.26Å; V490-I529 PolarHBondContact O-N 3.35Å
491K88.7Confident85.7Confident101 Ų10183.8 Ų83.844%0.43944%0.442SS..EExtended strand (participates in β ladder)trans-76.5113164.2-163.8-179.9-171.8-162.40108.6E493 D526 M528K491-E493 HydrophobicContact CD-CG 4.29Å; K491-E493 VanDerWaalsContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CD-OE1 3.15Å; K491-E493 WeakPolarHBondContact CE-OE1 3.43Å; K491-E493 HydrophobicContact CG-CG 4.27Å; K491-E493 IonicContact NZ-OE1 3.38Å; K491-E493 PolarHBondContact NZ-OE1 3.35Å; K491-D526 WeakPolarHBondContact CE-OD1 3.5Å; K491-D526 IonicContact NZ-OD1 3.58Å; K491-D526 IonicContact NZ-OD2 2.75Å; K491-M528 HydrophobicContact CB-CE 3.82Å; K491-M528 HydrophobicContact CB-SD 3.51Å; K491-M528 VanDerWaalsContact CB-SD 3.51Å; K491-M528 HydrophobicContact CD-CE 3.64Å; K491-M528 HydrophobicContact CD-SD 4.32Å; K491-M528 HydrophobicContact CG-CE 3.66Å; K491-M528 HydrophobicContact CG-SD 3.64Å
492Q86Confident85Confident19 Ų1981.6 Ų81.69%0.08943%0.43CS..EExtended strand (participates in β ladder)trans-100.2108.3176.4-176.3179.40.900109.3V490 L525 Q527 I529V490-Q492 PolarHBondContact O-N 2.85Å; Q492-L525 HydrophobicContact CG-CD2 4Å; Q492-Q527 HydrophobicContact CB-CG 4.02Å; Q492-Q527 PolarHBondContact N-O 3.34Å; Q492-Q527 PolarHBondContact O-N 3.46Å; Q492-I529 HydrophobicContact CB-CD1 4.27Å
493E89.2Confident84.5Confident131 Ų13187.6 Ų87.661%0.61245%0.45SS*.EExtended strand (participates in β ladder)trans-107.5139.1172-64.8-179.7-172.700110.2K491 L525K491-E493 HydrophobicContact CD-CG 4.29Å; K491-E493 VanDerWaalsContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CD-OE1 3.15Å; K491-E493 WeakPolarHBondContact CE-OE1 3.43Å; K491-E493 HydrophobicContact CG-CG 4.27Å; K491-E493 IonicContact NZ-OE1 3.38Å; K491-E493 PolarHBondContact NZ-OE1 3.35Å; E493-L525 CarbonylContact C-O 3.51Å; E493-L525 WeakPolarHBondContact CA-O 3.24Å
494G87Confident83.9Confident20 Ų2088.3 Ų88.321%0.20647%0.465CS..EExtended strand (participates in β ladder)trans-156.1145.3174.500000111S524 L525G494-S524 CarbonylContact O-C 3.55Å; G494-S524 WeakPolarHBondContact O-CA 3.41Å; G494-L525 PolarHBondContact N-O 3.4Å; G494-L525 PolarHBondContact O-N 3.18Å
495K88.1Confident83.7Confident171 Ų17188.5 Ų88.574%0.74348%0.475SS*.EExtended strand (participates in β ladder)trans-133.4134.8173.2-66.3-175.3-179.8-177.70108.9Y523K495-Y523 CarbonylContact C-O 3.5Å; K495-Y523 WeakPolarHBondContact CA-O 3.37Å
496H85Confident83.1Confident48 Ų4882.1 Ų82.122%0.22246%0.462CS..EExtended strand (participates in β ladder)trans-128.4102172.6-173.589.9000107.7L132 P136 I498 Y523L132-H496 HydrophobicContact CD1-CB 4.31Å; L132-H496 HydrophobicContact CG-CB 4.35Å; P136-H496 WeakPolarHBondContact CB-CD2 3.47Å; P136-H496 HydrophobicContact CG-CB 4.33Å; P136-H496 VanDerWaalsContact CG-CD2 3.43Å; P136-H496 WeakPolarHBondContact CG-CD2 3.49Å; H496-I498 WeakPolarHBondContact NE2-CG1 3.47Å; H496-Y523 PolarHBondContact N-O 3.03Å; H496-Y523 PolarHBondContact O-N 3.44Å
497D83.2Confident82.1Confident98 Ų9884.5 Ų84.552%0.52448%0.478SS..EExtended strand (participates in β ladder)trans-103.3120.5-175.2-59.6-19.1000108.2T522D497-T522 HydrophobicContact CB-CG2 3.85Å; D497-T522 VanDerWaalsContact CG-CG2 3.43Å; D497-T522 VanDerWaalsContact OD1-CB 3.27Å; D497-T522 WeakPolarHBondContact OD1-CB 3.48Å; D497-T522 WeakPolarHBondContact OD1-CG2 3.43Å
498I78.9Confident81.2Confident29 Ų2986.7 Ų86.715%0.14949%0.485CS..EExtended strand (participates in β ladder)trans-105.1111.4174.6-60.4178.2000107.7P136 V140 H496 V500 N520 R521P136-I498 HydrophobicContact CB-CD1 3.4Å; P136-I498 HydrophobicContact CB-CG1 4.26Å; V140-I498 HydrophobicContact CG2-CD1 3.68Å; V140-I498 HydrophobicContact CG2-CG2 4.05Å; H496-I498 WeakPolarHBondContact NE2-CG1 3.47Å; I498-V500 HydrophobicContact CG2-CG2 4.08Å; I498-N520 WeakPolarHBondContact O-CA 2.88Å; I498-R521 PolarHBondContact N-O 3.31Å
499S78.6Confident80.6Confident103 Ų10382.9 Ų82.972%0.7247%0.467SS*.  trans-109.6118170.661.10000109.1N520S499-N520 WeakPolarHBondContact CA-OD1 3Å
500V73.5Confident80.1Confident57 Ų5782.9 Ų82.935%0.34547%0.465SS..  trans-98.5109.1175.9-171.10000108.6I498 I502 V516 I519 N520I498-V500 HydrophobicContact CG2-CG2 4.08Å; V500-I502 HydrophobicContact CG1-CG1 4.42Å; V500-V516 HydrophobicContact CB-CG1 3.58Å; V500-V516 HydrophobicContact CG1-CG1 3.44Å; V500-V516 VanDerWaalsContact CG1-CG1 3.44Å; V500-V516 HydrophobicContact CG2-CG1 4.04Å; V500-I519 HydrophobicContact CG2-CB 4.42Å; V500-I519 HydrophobicContact CG2-CG2 3.79Å; V500-N520 PolarHBondContact N-OD1 3.38Å
501N78.9Confident79.3Confident127 Ų12781.8 Ų81.868%0.67946%0.456SS*.  trans-93.1123.9173.6-169.938.5000109.2
502I76Confident78.5Confident49 Ų4980.5 Ų80.525%0.25145%0.453SS..  trans-102.4108.5-178.4-57.4164.9000107.6V500 A509 I512 E513 V516V500-I502 HydrophobicContact CG1-CG1 4.42Å; I502-A509 HydrophobicContact CG2-CB 4.18Å; I502-I512 HydrophobicContact CD1-CG2 4.02Å; I502-I512 HydrophobicContact CG1-CG2 4.28Å; I502-E513 HydrophobicContact CD1-CB 3.73Å; I502-E513 HydrophobicContact CD1-CG 4.23Å; I502-V516 HydrophobicContact CD1-CB 4.09Å; I502-V516 HydrophobicContact CD1-CG1 4.1Å
503E81Confident78.1Confident176 Ų17685 Ų8582%0.82247%0.474SS*.  trans-92.3110.9176.8-66.7-174.7178.900110
504G78.2Confident77.3Confident51 Ų5183.2 Ų83.253%0.52648%0.476SS..  trans149.5151.1176.200000112.4A509G504-A509 VanDerWaalsContact O-CB 3.24Å; G504-A509 WeakPolarHBondContact O-CB 3.42Å
505T82.9Confident76.5Confident137 Ų13784.4 Ų84.484%0.8448%0.477SS*.  trans-113.67.5179.852.20000113
506G75.9Confident75.7Confident39 Ų3976.7 Ų76.740%0.40244%0.444SS..SBendtrans-72.4165.6-179.600000113.7V508 A509 K510G506-V508 PolarHBondContact O-N 2.97Å; G506-A509 WeakPolarHBondContact O-CB 3.47Å; G506-A509 PolarHBondContact O-N 3.36Å; G506-K510 PolarHBondContact O-N 3.01Å
507S65.8Low74.7Confident82 Ų8276.9 Ų76.957%0.57346%0.459SS*.Hα-helixtrans-55.3-38.6172.344.30000112.3K510 M511S507-K510 PolarHBondContact O-N 3.21Å; S507-M511 WeakPolarHBondContact O-CB 3.18Å; S507-M511 PolarHBondContact O-N 3.48Å
508V68.7Low73.9Confident79 Ų7978.9 Ų78.948%0.47947%0.47SS..Hα-helixtrans-64.2-41.1173.9-177.80000111.5G506 M511 I512G506-V508 PolarHBondContact O-N 2.97Å; V508-M511 WeakPolarHBondContact O-CB 3.4Å; V508-M511 PolarHBondContact O-N 3.18Å; V508-I512 HydrophobicContact CG1-CD1 4.02Å; V508-I512 HydrophobicContact CG1-CG1 4.43Å; V508-I512 WeakPolarHBondContact O-CG1 3.19Å; V508-I512 PolarHBondContact O-N 3.25Å
509A74Confident73.5Confident13 Ų1377.7 Ų77.711%0.10746%0.464CS..Hα-helixtrans-64.2-44.3177.500000111.2I502 G504 G506 M511 I512 E513I502-A509 HydrophobicContact CG2-CB 4.18Å; G504-A509 VanDerWaalsContact O-CB 3.24Å; G504-A509 WeakPolarHBondContact O-CB 3.42Å; G506-A509 WeakPolarHBondContact O-CB 3.47Å; G506-A509 PolarHBondContact O-N 3.36Å; A509-M511 VanDerWaalsContact C-N 3.26Å; A509-M511 PolarHBondContact O-N 3.49Å; A509-I512 PolarHBondContact O-N 3.27Å; A509-E513 VanDerWaalsContact O-CB 3.23Å; A509-E513 WeakPolarHBondContact O-CB 3.48Å; A509-E513 PolarHBondContact O-N 3.39Å
510K76.7Confident73.2Confident138 Ų13877.8 Ų77.860%0.646%0.457SS*.Hα-helixtrans-62.5-32.5173.7-69.9-176.3179.3-179.60113G506 S507 S514G506-K510 PolarHBondContact O-N 3.01Å; S507-K510 PolarHBondContact O-N 3.21Å; K510-S514 PolarHBondContact O-N 3.02Å
511M68.9Low73.2Confident49 Ų4979.1 Ų79.124%0.24146%0.455CS..Hα-helixtrans-72.9-47.1176.1-179.3164.8-158.300112S151 F327 S507 V508 A509 E513 S514 I515S151-M511 WeakPolarHBondContact OG-CE 3.33Å; F327-M511 HydrophobicContact CE1-CE 4.3Å; F327-M511 HydrophobicContact CE1-SD 3.74Å; F327-M511 HydrophobicContact CE2-SD 4.18Å; F327-M511 HydrophobicContact CZ-CE 4.1Å; F327-M511 HydrophobicContact CZ-SD 3.27Å; F327-M511 WeakPolarHBondContact CZ-SD 3.47Å; S507-M511 WeakPolarHBondContact O-CB 3.18Å; S507-M511 PolarHBondContact O-N 3.48Å; V508-M511 WeakPolarHBondContact O-CB 3.4Å; V508-M511 PolarHBondContact O-N 3.18Å; A509-M511 VanDerWaalsContact C-N 3.26Å; A509-M511 PolarHBondContact O-N 3.49Å; M511-E513 PolarHBondContact O-N 3.3Å; M511-S514 WeakPolarHBondContact O-CA 3.48Å; M511-S514 WeakPolarHBondContact O-CB 3.22Å; M511-S514 PolarHBondContact O-N 3.29Å; M511-S514 PolarHBondContact O-OG 3Å; M511-I515 HydrophobicContact CE-CD1 4.4Å; M511-I515 HydrophobicContact CG-CD1 4.18Å; M511-I515 WeakPolarHBondContact O-CG1 3.08Å; M511-I515 PolarHBondContact O-N 3.26Å
512I72.3Confident73.3Confident74 Ų7478 Ų7838%0.37945%0.453SS..Hα-helixtrans-58.5-41.7172.3-66.7172.8000108.6I502 V508 A509 S514 I515 V516I502-I512 HydrophobicContact CD1-CG2 4.02Å; I502-I512 HydrophobicContact CG1-CG2 4.28Å; V508-I512 HydrophobicContact CG1-CD1 4.02Å; V508-I512 HydrophobicContact CG1-CG1 4.43Å; V508-I512 WeakPolarHBondContact O-CG1 3.19Å; V508-I512 PolarHBondContact O-N 3.25Å; A509-I512 PolarHBondContact O-N 3.27Å; I512-S514 VanDerWaalsContact C-N 3.3Å; I512-S514 PolarHBondContact O-N 3.14Å; I512-I515 CarbonylContact O-C 3.25Å; I512-I515 PolarHBondContact O-N 3.32Å; I512-V516 HydrophobicContact CG2-CB 4.25Å; I512-V516 HydrophobicContact CG2-CG2 3.65Å; I512-V516 WeakPolarHBondContact O-CA 3.23Å; I512-V516 WeakPolarHBondContact O-CB 3.38Å; I512-V516 WeakPolarHBondContact O-CG2 3.32Å; I512-V516 PolarHBondContact O-N 3.4Å
513E77.3Confident73.7Confident113 Ų11378.3 Ų78.353%0.52845%0.452SS..Hα-helixtrans-59.9-36.8173.6-171.9178.9-15900112.5I502 A509 M511 I515 G517I502-E513 HydrophobicContact CD1-CB 3.73Å; I502-E513 HydrophobicContact CD1-CG 4.23Å; A509-E513 VanDerWaalsContact O-CB 3.23Å; A509-E513 WeakPolarHBondContact O-CB 3.48Å; A509-E513 PolarHBondContact O-N 3.39Å; M511-E513 PolarHBondContact O-N 3.3Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.29Å; E513-G517 WeakPolarHBondContact O-CA 2.82Å; E513-G517 PolarHBondContact O-N 3.42Å
514S72.2Confident73.9Confident94 Ų9474.5 Ų74.566%0.65745%0.445SS*.Hα-helixtrans-70.8-27.1173.675.40000114.1K510 M511 I512K510-S514 PolarHBondContact O-N 3.02Å; M511-S514 WeakPolarHBondContact O-CA 3.48Å; M511-S514 WeakPolarHBondContact O-CB 3.22Å; M511-S514 PolarHBondContact O-N 3.29Å; M511-S514 PolarHBondContact O-OG 3Å; I512-S514 VanDerWaalsContact C-N 3.3Å; I512-S514 PolarHBondContact O-N 3.14Å
515I70Confident74.3Confident46 Ų4673.5 Ų73.524%0.23643%0.427CS..Hα-helixtrans-85.1-35.2176.9-68166.6000111.1M511 I512 E513M511-I515 HydrophobicContact CE-CD1 4.4Å; M511-I515 HydrophobicContact CG-CD1 4.18Å; M511-I515 WeakPolarHBondContact O-CG1 3.08Å; M511-I515 PolarHBondContact O-N 3.26Å; I512-I515 CarbonylContact O-C 3.25Å; I512-I515 PolarHBondContact O-N 3.32Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.29Å
516V71.7Confident74.6Confident8 Ų872.1 Ų72.15%0.04841%0.414CS..Hα-helixtrans-106.5-13.4-166.9174.40000112.4L144 V500 I502 I512 D518 I519L144-V516 HydrophobicContact CD1-CG2 4.33Å; V500-V516 HydrophobicContact CB-CG1 3.58Å; V500-V516 HydrophobicContact CG1-CG1 3.44Å; V500-V516 VanDerWaalsContact CG1-CG1 3.44Å; V500-V516 HydrophobicContact CG2-CG1 4.04Å; I502-V516 HydrophobicContact CD1-CB 4.09Å; I502-V516 HydrophobicContact CD1-CG1 4.1Å; I512-V516 HydrophobicContact CG2-CB 4.25Å; I512-V516 HydrophobicContact CG2-CG2 3.65Å; I512-V516 WeakPolarHBondContact O-CA 3.23Å; I512-V516 WeakPolarHBondContact O-CB 3.38Å; I512-V516 WeakPolarHBondContact O-CG2 3.32Å; I512-V516 PolarHBondContact O-N 3.4Å; V516-D518 PolarHBondContact O-N 3.41Å; V516-I519 HydrophobicContact CB-CD1 4.01Å; V516-I519 HydrophobicContact CB-CG1 4.49Å; V516-I519 HydrophobicContact CG1-CB 4.19Å; V516-I519 HydrophobicContact CG1-CD1 4Å; V516-I519 HydrophobicContact CG1-CG1 4.35Å; V516-I519 HydrophobicContact CG2-CD1 3.93Å; V516-I519 VanDerWaalsContact O-CB 3.25Å; V516-I519 WeakPolarHBondContact O-CB 3.27Å; V516-I519 WeakPolarHBondContact O-CG1 3.47Å; V516-I519 PolarHBondContact O-N 3.08Å
517G64.4Low75.1Confident52 Ų5272.6 Ų72.654%0.53641%0.406SS..THydrogen-bonded Turntrans-57.8-19-173.900000114.7E513E513-G517 WeakPolarHBondContact O-CA 2.82Å; E513-G517 PolarHBondContact O-N 3.42Å
518D65.4Low76.2Confident141 Ų14175 Ų7575%0.75441%0.41SS*.THydrogen-bonded Turntrans-107.512.4178.6-133.79.5000113.8V516V516-D518 PolarHBondContact O-N 3.41Å
519I70Confident77.2Confident3 Ų372.5 Ų72.52%0.01539%0.394CS..  trans-87.1-9-175.8-64.6-173.2000112.8V140 D143 V500 V516 R521V140-I519 HydrophobicContact CB-CG2 4.13Å; V140-I519 HydrophobicContact CG1-CG2 3.81Å; V140-I519 HydrophobicContact CG2-CG2 3.43Å; V140-I519 VanDerWaalsContact CG2-CG2 3.43Å; D143-I519 HydrophobicContact CB-CD1 4.29Å; V500-I519 HydrophobicContact CG2-CB 4.42Å; V500-I519 HydrophobicContact CG2-CG2 3.79Å; V516-I519 HydrophobicContact CB-CD1 4.01Å; V516-I519 HydrophobicContact CB-CG1 4.49Å; V516-I519 HydrophobicContact CG1-CB 4.19Å; V516-I519 HydrophobicContact CG1-CD1 4Å; V516-I519 HydrophobicContact CG1-CG1 4.35Å; V516-I519 HydrophobicContact CG2-CD1 3.93Å; V516-I519 VanDerWaalsContact O-CB 3.25Å; V516-I519 WeakPolarHBondContact O-CB 3.27Å; V516-I519 WeakPolarHBondContact O-CG1 3.47Å; V516-I519 PolarHBondContact O-N 3.08Å; I519-R521 VanDerWaalsContact C-N 3.28Å; I519-R521 PolarHBondContact O-N 3.47Å
520N72.6Confident78Confident106 Ų10674.6 Ų74.657%0.56741%0.408SS*.  trans-66.484.7176.2-73.6-19.4000111.1I498 S499 V500I498-N520 WeakPolarHBondContact O-CA 2.88Å; S499-N520 WeakPolarHBondContact CA-OD1 3Å; V500-N520 PolarHBondContact N-OD1 3.38Å
521R74.9Confident78.7Confident84 Ų8469 Ų6932%0.31738%0.384SS..EExtended strand (participates in β ladder)trans-114.2137.5-178.6-65.7-173.3-173.7140.112.9110.3D143 I498 I519 Y523D143-R521 IonicContact OD2-CZ 3.21Å; D143-R521 IonicContact OD2-NH1 3.69Å; D143-R521 PolarHBondContact OD2-NH1 3.36Å; D143-R521 IonicContact OD2-NH2 2.73Å; D143-R521 PolarHBondContact OD2-NH2 3.09Å; I498-R521 PolarHBondContact N-O 3.31Å; I519-R521 VanDerWaalsContact C-N 3.28Å; I519-R521 PolarHBondContact O-N 3.47Å; R521-Y523 HydrophobicContact CB-CD2 4.35Å; R521-Y523 HydrophobicContact CB-CE2 3.71Å
522T81Confident79.8Confident104 Ų10470.7 Ų70.764%0.63839%0.391SS*.EExtended strand (participates in β ladder)trans-113.3118.5174.644.20000108.4D497D497-T522 HydrophobicContact CB-CG2 3.85Å; D497-T522 VanDerWaalsContact CG-CG2 3.43Å; D497-T522 VanDerWaalsContact OD1-CB 3.27Å; D497-T522 WeakPolarHBondContact OD1-CB 3.48Å; D497-T522 WeakPolarHBondContact OD1-CG2 3.43Å
523Y82.8Confident80.6Confident55 Ų5573.9 Ų73.922%0.21640%0.404CS..EExtended strand (participates in β ladder)trans-100.9118.5176.7-66.9-98.7000108.5P136 D139 K495 H496 R521P136-Y523 HydrophobicContact CB-CD2 3.45Å; P136-Y523 VanDerWaalsContact CB-CD2 3.45Å; P136-Y523 HydrophobicContact CB-CE2 3.41Å; P136-Y523 VanDerWaalsContact CB-CE2 3.41Å; P136-Y523 HydrophobicContact CB-CG 4.17Å; P136-Y523 HydrophobicContact CG-CD1 4.06Å; P136-Y523 HydrophobicContact CG-CD2 3.34Å; P136-Y523 HydrophobicContact CG-CE1 4.38Å; P136-Y523 HydrophobicContact CG-CE2 3.7Å; P136-Y523 HydrophobicContact CG-CG 3.52Å; D139-Y523 PolarHBondContact OD2-OH 3.44Å; K495-Y523 CarbonylContact C-O 3.5Å; K495-Y523 WeakPolarHBondContact CA-O 3.37Å; H496-Y523 PolarHBondContact N-O 3.03Å; H496-Y523 PolarHBondContact O-N 3.44Å; R521-Y523 HydrophobicContact CB-CD2 4.35Å; R521-Y523 HydrophobicContact CB-CE2 3.71Å
524S86.3Confident81.3Confident97 Ų9768.7 Ų68.768%0.67838%0.381SS*.EExtended strand (participates in β ladder)trans-111.8142177.761.20000111.1G494G494-S524 CarbonylContact O-C 3.55Å; G494-S524 WeakPolarHBondContact O-CA 3.41Å
525L86.5Confident82.1Confident30 Ų3066.8 Ų66.816%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-121.1115.1171-179.966.4000106.7L132 Q492 E493 G494 Q527L132-L525 HydrophobicContact CD1-CB 4.25Å; L132-L525 HydrophobicContact CD2-CB 3.85Å; L132-L525 HydrophobicContact CD2-CD2 4.21Å; Q492-L525 HydrophobicContact CG-CD2 4Å; E493-L525 CarbonylContact C-O 3.51Å; E493-L525 WeakPolarHBondContact CA-O 3.24Å; G494-L525 PolarHBondContact N-O 3.4Å; G494-L525 PolarHBondContact O-N 3.18Å; L525-Q527 HydrophobicContact CD1-CG 3.99Å; L525-Q527 HydrophobicContact CG-CG 4.25Å
526D88.7Confident82.9Confident107 Ų10765.1 Ų65.157%0.57235%0.354SS*.EExtended strand (participates in β ladder)trans-130.1101.9167.9-172.11.3000107.4K491K491-D526 WeakPolarHBondContact CE-OD1 3.5Å; K491-D526 IonicContact NZ-OD1 3.58Å; K491-D526 IonicContact NZ-OD2 2.75Å
527Q87.6Confident83.8Confident49 Ų4969.6 Ų69.623%0.22938%0.381CS..EExtended strand (participates in β ladder)trans-137.4137.6179.363.9175.5-3.100111.5T128 Q492 L525 I529T128-Q527 PolarHBondContact OG1-NE2 3.31Å; Q492-Q527 HydrophobicContact CB-CG 4.02Å; Q492-Q527 PolarHBondContact N-O 3.34Å; Q492-Q527 PolarHBondContact O-N 3.46Å; L525-Q527 HydrophobicContact CD1-CG 3.99Å; L525-Q527 HydrophobicContact CG-CG 4.25Å; Q527-I529 HydrophobicContact CG-CD1 3.99Å; Q527-I529 HydrophobicContact CG-CG1 4.07Å
528M89.1Confident85Confident133 Ų13368.6 Ų68.666%0.65537%0.366SS*.EExtended strand (participates in β ladder)trans-91.9122.6170.1-75.4-70.4-16500109.3K491K491-M528 HydrophobicContact CB-CE 3.82Å; K491-M528 HydrophobicContact CB-SD 3.51Å; K491-M528 VanDerWaalsContact CB-SD 3.51Å; K491-M528 HydrophobicContact CD-CE 3.64Å; K491-M528 HydrophobicContact CD-SD 4.32Å; K491-M528 HydrophobicContact CG-CE 3.66Å; K491-M528 HydrophobicContact CG-SD 3.64Å
529I88.6Confident86.3Confident27 Ų2763.1 Ų63.114%0.13834%0.338CS..EExtended strand (participates in β ladder)trans-117.3119.3-178.4-57.9168000108.6V121 I125 V490 Q492 Q527V121-I529 HydrophobicContact CG1-CG2 3.76Å; I125-I529 HydrophobicContact CD1-CD1 4.2Å; I125-I529 HydrophobicContact CD1-CG2 4.12Å; I125-I529 HydrophobicContact CG1-CD1 3.49Å; I125-I529 VanDerWaalsContact CG1-CD1 3.49Å; I125-I529 HydrophobicContact CG1-CG2 4.24Å; V490-I529 PolarHBondContact N-O 3.26Å; V490-I529 PolarHBondContact O-N 3.35Å; Q492-I529 HydrophobicContact CB-CD1 4.27Å; Q527-I529 HydrophobicContact CG-CD1 3.99Å; Q527-I529 HydrophobicContact CG-CG1 4.07Å
530S91.7Very high87.3Confident57 Ų5768 Ų6840%0.39936%0.361SS..EExtended strand (participates in β ladder)trans-115.6133.8179.265.70000110.7
531N91.3Very high88Confident19 Ų1963.8 Ų63.810%0.10234%0.339CS..  trans-96.211.4172.471.8-10.1000113.6N118 S486 I488 H533 C534N118-N531 PolarHBondContact OD1-ND2 3.35Å; S486-N531 PolarHBondContact O-ND2 2.75Å; S486-N531 PolarHBondContact O-OD1 3.02Å; I488-N531 PolarHBondContact N-OD1 3.4Å; I488-N531 PolarHBondContact O-N 3.33Å; I488-N531 PolarHBondContact O-OD1 3.22Å; N531-H533 PolarHBondContact O-N 3.42Å; N531-H533 VanDerWaalsContact O-N 3.15Å; N531-C534 WeakPolarHBondContact O-CB 3.43Å; N531-C534 PolarHBondContact O-N 3.42Å
532H91.3Very high88.7Confident86 Ų8664 Ų6440%0.39835%0.346SS..G310 helixtrans-54.6-33.9178.8-77.5-68000113.3E489 C534 M535E489-H532 IonicContact OE1-CD2 2.86Å; E489-H532 IonicContact OE1-NE2 3.53Å; H532-C534 PolarHBondContact O-N 3.13Å; H532-M535 WeakPolarHBondContact ND1-CE 3.47Å; H532-M535 WeakPolarHBondContact O-CB 3.12Å; H532-M535 WeakPolarHBondContact O-CG 3.3Å; H532-M535 PolarHBondContact O-N 3.14Å
533H89.9Confident89Confident141 Ų14163.8 Ų63.865%0.65334%0.338SS*.G310 helixtrans-70.5-17.6177.594.876000113.7C117 N531 M535C117-H533 PolarHBondContact SG-CE1 3.2Å; C117-H533 PolarHBondContact SG-ND1 3.28Å; C117-H533 VanDerWaalsContact SG-ND1 3.44Å; N531-H533 PolarHBondContact O-N 3.42Å; N531-H533 VanDerWaalsContact O-N 3.15Å; H533-M535 VanDerWaalsContact C-N 3.34Å
534C90.5Very high89.4Confident4 Ų466.5 Ų66.53%0.02735%0.353CS..G310 helixtrans-88.4-5.4178.2-64.30000112.6S114 C117 N531 H532 T536S114-C534 WeakPolarHBondContact CA-O 3.48Å; S114-C534 WeakPolarHBondContact CB-O 3.41Å; S114-C534 PolarHBondContact OG-O 3.13Å; C117-C534 HydrophobicContact CB-CB 3.63Å; C117-C534 WeakPolarHBondContact CB-SG 3.44Å; C117-C534 PolarHBondContact O-SG 2.73Å; C117-C534 WeakPolarHBondContact SG-CA 3.44Å; C117-C534 WeakPolarHBondContact SG-CB 3.09Å; C117-C534 CovalentContact SG-SG 2.04Å; C117-C534 PolarHBondContact SG-SG 3.38Å; N531-C534 WeakPolarHBondContact O-CB 3.43Å; N531-C534 PolarHBondContact O-N 3.42Å; H532-C534 PolarHBondContact O-N 3.13Å; C534-T536 PolarHBondContact O-N 3.35Å
535M89.8Confident89.4Confident53 Ų5364.6 Ų64.626%0.26133%0.333SS..  trans-65.3127.8-179.9-67178170.700110.6H532 H533H532-M535 WeakPolarHBondContact ND1-CE 3.47Å; H532-M535 WeakPolarHBondContact O-CB 3.12Å; H532-M535 WeakPolarHBondContact O-CG 3.3Å; H532-M535 PolarHBondContact O-N 3.14Å; H533-M535 VanDerWaalsContact C-N 3.34Å
536T87.7Confident89.5Confident12 Ų1264.6 Ų64.67%0.07433%0.333CS..  trans-75.1143.1171.6163.20000110.3R110 L479 V483 C534 P538R110-T536 VanDerWaalsContact CB-OG1 3.28Å; R110-T536 WeakPolarHBondContact CB-OG1 3.43Å; L479-T536 HydrophobicContact CD2-CG2 4.4Å; V483-T536 HydrophobicContact CG2-CG2 3.8Å; V483-T536 WeakPolarHBondContact CG2-O 3.33Å; C534-T536 PolarHBondContact O-N 3.35Å; T536-P538 VanDerWaalsContact O-CD 3.31Å; T536-P538 WeakPolarHBondContact O-CD 3.46Å
537T89.1Confident89.6Confident101 Ų10166.8 Ų66.862%0.6233%0.334SS*.  trans-92.6103.916553.80000108.6R110R110-T537 WeakPolarHBondContact CD-O 3.36Å; R110-T537 PolarHBondContact NH1-O 3.28Å
538P91.5Very high89.8Confident32 Ų3271.7 Ų71.721%0.20835%0.35CS..PPolyproline II helixtrans-64.8141.9-179.928.6-35000110.7Y476 L479 Q480 T536Y476-P538 HydrophobicContact CD2-CB 3.78Å; Y476-P538 HydrophobicContact CD2-CG 4.49Å; Y476-P538 HydrophobicContact CE2-CB 3.84Å; Y476-P538 HydrophobicContact CE2-CG 4.09Å; L479-P538 HydrophobicContact CB-CB 3.87Å; Q480-P538 HydrophobicContact CB-CG 4.35Å; T536-P538 VanDerWaalsContact O-CD 3.31Å; T536-P538 WeakPolarHBondContact O-CD 3.46Å
539S91.7Very high89.8Confident26 Ų2665.4 Ų65.418%0.18232%0.319CS..PPolyproline II helixtrans-96.5119.6177-164.10000109.8N103 N107 Y476N103-S539 PolarHBondContact ND2-O 3.22Å; N103-S539 WeakPolarHBondContact OD1-CB 3.46Å; N103-S539 PolarHBondContact OD1-O 3.41Å; N103-S539 PolarHBondContact OD1-OG 3.13Å; N107-S539 PolarHBondContact ND2-O 3.49Å; N107-S539 WeakPolarHBondContact OD1-CB 3.29Å; N107-S539 PolarHBondContact OD1-N 2.97Å; Y476-S539 VanDerWaalsContact CD2-O 3.3Å; Y476-S539 WeakPolarHBondContact CD2-O 3.47Å
540E90.7Very high90Very high106 Ų10670.2 Ų70.250%0.49534%0.335SS..PPolyproline II helixtrans-77.3143.5168-164.8-17716300109.5Y476 Q543Y476-E540 HydrophobicContact CD2-CB 4.27Å; Y476-E540 HydrophobicContact CE1-CG 4.45Å; Y476-E540 HydrophobicContact CE2-CB 3.85Å; E540-Q543 PolarHBondContact OE1-NE2 3.49Å
541T87.9Confident90Very high17 Ų1769 Ų6910%0.10433%0.329CS..PPolyproline II helixtrans-65.3133.7170.9-85.10000110.3T99 N103 D472 Q543T99-T541 HydrophobicContact CG2-CG2 3.54Å; N103-T541 WeakPolarHBondContact CB-OG1 3.33Å; N103-T541 PolarHBondContact ND2-OG1 3.28Å; D472-T541 WeakPolarHBondContact OD2-CB 3.23Å; D472-T541 PolarHBondContact OD2-OG1 3.49Å; T541-Q543 PolarHBondContact O-N 3.38Å
542D89.3Confident90Very high87 Ų8771 Ų7147%0.46534%0.335SS..PPolyproline II helixtrans-59.9121.4179.1-172.4-3.1000111.9E544 E545 L546D542-E544 VanDerWaalsContact C-N 3.25Å; D542-E544 PolarHBondContact O-N 3.07Å; D542-E544 PolarHBondContact OD1-N 3.04Å; D542-E545 HydrophobicContact CB-CB 4.28Å; D542-E545 HydrophobicContact CB-CG 3.95Å; D542-E545 PolarHBondContact O-N 2.99Å; D542-L546 PolarHBondContact O-N 3.1Å
543Q87.8Confident90Very high100 Ų10067.6 Ų67.647%0.46732%0.32SS..Hα-helixtrans-66.2-27.2-179.9-63-65-20.300112.2E540 T541 R547E540-Q543 PolarHBondContact OE1-NE2 3.49Å; T541-Q543 PolarHBondContact O-N 3.38Å; Q543-R547 WeakPolarHBondContact O-CG 2.98Å; Q543-R547 PolarHBondContact O-N 2.72Å; Q543-R547 VanDerWaalsContact O-N 3.13Å
544E89.9Confident90Very high113 Ų11365.7 Ų65.753%0.52831%0.314SS..Hα-helixtrans-65.2-43.2173.5-55.5-134.1123.900111.1D542 R547 W548D542-E544 VanDerWaalsContact C-N 3.25Å; D542-E544 PolarHBondContact O-N 3.07Å; D542-E544 PolarHBondContact OD1-N 3.04Å; E544-R547 VanDerWaalsContact CG-NH2 3.31Å; E544-R547 WeakPolarHBondContact O-CB 3.48Å; E544-R547 PolarHBondContact O-N 3.01Å; E544-R547 IonicContact OE1-NH2 3.79Å; E544-R547 PolarHBondContact OE1-NH2 3.1Å; E544-W548 VanDerWaalsContact O-CD1 3.29Å; E544-W548 PolarHBondContact O-N 3.2Å
545E86.7Confident90Very high56 Ų5669 Ų6926%0.26233%0.33SS..Hα-helixtrans-71.6-35.3-179.5-59.1-68.6-139.700112.2K95 T99 D542 R547 W548 I549K95-E545 VanDerWaalsContact CE-CD 3.48Å; K95-E545 WeakPolarHBondContact CE-OE2 3.41Å; K95-E545 IonicContact NZ-OE1 3.54Å; K95-E545 PolarHBondContact NZ-OE1 3.39Å; K95-E545 IonicContact NZ-OE2 3.56Å; K95-E545 PolarHBondContact NZ-OE2 3.38Å; T99-E545 HydrophobicContact CG2-CB 3.69Å; D542-E545 HydrophobicContact CB-CB 4.28Å; D542-E545 HydrophobicContact CB-CG 3.95Å; D542-E545 PolarHBondContact O-N 2.99Å; E545-R547 VanDerWaalsContact C-N 3.32Å; E545-R547 PolarHBondContact O-N 3.26Å; E545-W548 WeakPolarHBondContact O-CB 3.29Å; E545-W548 PolarHBondContact O-N 2.62Å; E545-I549 WeakPolarHBondContact O-CG1 3.42Å; E545-I549 PolarHBondContact O-N 3.49Å; E545-I549 VanDerWaalsContact O-N 3.13Å
546L88.6Confident89.9Confident30 Ų3066.5 Ų66.516%0.15732%0.318CS..Hα-helixtrans-62.9-38.5172.3-170.662.8000112.2I469 D542 W548 I549 W550I469-L546 HydrophobicContact CD1-CD1 3.7Å; I469-L546 HydrophobicContact CG1-CD1 4.13Å; I469-L546 HydrophobicContact CG2-CD1 4.07Å; D542-L546 PolarHBondContact O-N 3.1Å; L546-W548 VanDerWaalsContact C-N 3.31Å; L546-W548 PolarHBondContact O-N 3.16Å; L546-I549 HydrophobicContact CD1-CD1 4.35Å; L546-I549 WeakPolarHBondContact O-CB 3.46Å; L546-I549 PolarHBondContact O-N 3.39Å; L546-W550 PolarHBondContact O-N 3.25Å; L546-W550 VanDerWaalsContact O-N 3.16Å
547R91.7Very high90Very high154 Ų15469.8 Ų69.858%0.58134%0.335SS*.Hα-helixtrans-61.6-38.8174.1-76.7-176.5-69.4157.6-0.9111.9Q543 E544 E545 W550 A551Q543-R547 WeakPolarHBondContact O-CG 2.98Å; Q543-R547 PolarHBondContact O-N 2.72Å; Q543-R547 VanDerWaalsContact O-N 3.13Å; E544-R547 VanDerWaalsContact CG-NH2 3.31Å; E544-R547 WeakPolarHBondContact O-CB 3.48Å; E544-R547 PolarHBondContact O-N 3.01Å; E544-R547 IonicContact OE1-NH2 3.79Å; E544-R547 PolarHBondContact OE1-NH2 3.1Å; E545-R547 VanDerWaalsContact C-N 3.32Å; E545-R547 PolarHBondContact O-N 3.26Å; R547-W550 PolarHBondContact O-N 3.38Å; R547-A551 WeakPolarHBondContact O-CB 3.38Å; R547-A551 PolarHBondContact O-N 3.03Å
548W90.1Very high89.9Confident151 Ų15169.3 Ų69.357%0.57233%0.328SS*.Hα-helixtrans-64.4-38.5175-79.4110.6000112.9E544 E545 L546 W550 A551 Y552E544-W548 VanDerWaalsContact O-CD1 3.29Å; E544-W548 PolarHBondContact O-N 3.2Å; E545-W548 WeakPolarHBondContact O-CB 3.29Å; E545-W548 PolarHBondContact O-N 2.62Å; L546-W548 VanDerWaalsContact C-N 3.31Å; L546-W548 PolarHBondContact O-N 3.16Å; W548-W550 PolarHBondContact O-N 3.45Å; W548-A551 HydrophobicContact CE3-CB 4.45Å; W548-A551 WeakPolarHBondContact O-CB 3.47Å; W548-A551 PolarHBondContact O-N 2.96Å; W548-Y552 WeakPolarHBondContact O-CD2 3.41Å; W548-Y552 PolarHBondContact O-N 3.09Å
549I91Very high89.6Confident1 Ų168.3 Ų68.31%0.00532%0.32CS..Hα-helixtrans-58.8-48.3174.3-68.6166.8000110.6L92 K95 L96 T99 I469 E545 L546 A551 Y552 F553L92-I549 HydrophobicContact CD1-CB 4.39Å; L92-I549 HydrophobicContact CD1-CG1 4.49Å; L92-I549 HydrophobicContact CD1-CG2 3.85Å; K95-I549 HydrophobicContact CG-CG1 4.14Å; L96-I549 HydrophobicContact CD2-CD1 3.83Å; L96-I549 HydrophobicContact CD2-CG1 4.37Å; L96-I549 HydrophobicContact CD2-CG2 4.01Å; L96-I549 HydrophobicContact CG-CD1 4.44Å; T99-I549 HydrophobicContact CG2-CD1 4.35Å; I469-I549 HydrophobicContact CD1-CG2 4.27Å; E545-I549 WeakPolarHBondContact O-CG1 3.42Å; E545-I549 PolarHBondContact O-N 3.49Å; E545-I549 VanDerWaalsContact O-N 3.13Å; L546-I549 HydrophobicContact CD1-CD1 4.35Å; L546-I549 WeakPolarHBondContact O-CB 3.46Å; L546-I549 PolarHBondContact O-N 3.39Å; I549-A551 VanDerWaalsContact C-N 3.32Å; I549-A551 PolarHBondContact O-N 3.22Å; I549-Y552 WeakPolarHBondContact O-CB 3.33Å; I549-Y552 PolarHBondContact O-N 3.11Å; I549-F553 HydrophobicContact CG2-CD2 4.19Å; I549-F553 HydrophobicContact CG2-CE2 4.04Å; I549-F553 WeakPolarHBondContact O-CD2 3.35Å; I549-F553 PolarHBondContact O-N 2.95Å; I549-F553 VanDerWaalsContact O-N 3.13Å
550W91.9Very high89.2Confident128 Ų12867 Ų6749%0.48531%0.311SS..Hα-helixtrans-65-35.5176.2-70.9114.8000112.7L462 V466 L546 R547 W548 Y552 F553 L554L462-W550 HydrophobicContact CD1-CH2 4.4Å; L462-W550 HydrophobicContact CD1-CZ3 3.96Å; V466-W550 HydrophobicContact CG2-CH2 4.04Å; L546-W550 PolarHBondContact O-N 3.25Å; L546-W550 VanDerWaalsContact O-N 3.16Å; R547-W550 PolarHBondContact O-N 3.38Å; W548-W550 PolarHBondContact O-N 3.45Å; W550-Y552 PolarHBondContact O-N 3.29Å; W550-F553 HydrophobicContact CE3-CD2 4.33Å; W550-F553 PolarHBondContact O-N 3.19Å; W550-L554 PolarHBondContact O-N 3.43Å
551A91.8Very high88.7Confident32 Ų3265.3 Ų65.326%0.26431%0.308SS..Hα-helixtrans-62.3-40.8173.400000111.9R547 W548 I549 L554 I555R547-A551 WeakPolarHBondContact O-CB 3.38Å; R547-A551 PolarHBondContact O-N 3.03Å; W548-A551 HydrophobicContact CE3-CB 4.45Å; W548-A551 WeakPolarHBondContact O-CB 3.47Å; W548-A551 PolarHBondContact O-N 2.96Å; I549-A551 VanDerWaalsContact C-N 3.32Å; I549-A551 PolarHBondContact O-N 3.22Å; A551-L554 PolarHBondContact O-N 3.17Å; A551-I555 VanDerWaalsContact O-CG1 3.24Å; A551-I555 WeakPolarHBondContact O-CG1 3.24Å; A551-I555 PolarHBondContact O-N 3Å
552Y90.3Very high88.4Confident60 Ų6066.1 Ų66.124%0.23532%0.317CS..Hα-helixtrans-62.1-42.2173.6-76-59.3000112.5I88 A91 L92 K95 W548 I549 W550 L554 I555 L556I88-Y552 HydrophobicContact CG2-CD1 3.79Å; A91-Y552 HydrophobicContact CB-CE1 4.46Å; L92-Y552 HydrophobicContact CB-CG 4.45Å; L92-Y552 HydrophobicContact CD1-CD2 4.31Å; L92-Y552 HydrophobicContact CD1-CG 4.49Å; K95-Y552 HydrophobicContact CB-CE2 4.4Å; K95-Y552 HydrophobicContact CG-CE2 4.36Å; W548-Y552 WeakPolarHBondContact O-CD2 3.41Å; W548-Y552 PolarHBondContact O-N 3.09Å; I549-Y552 WeakPolarHBondContact O-CB 3.33Å; I549-Y552 PolarHBondContact O-N 3.11Å; W550-Y552 PolarHBondContact O-N 3.29Å; Y552-L554 PolarHBondContact O-N 3Å; Y552-I555 PolarHBondContact O-N 3.48Å; Y552-L556 WeakPolarHBondContact O-CG 3.23Å; Y552-L556 PolarHBondContact O-N 3.45Å
553F91.5Very high87.8Confident16 Ų1662 Ų627%0.0730%0.295CS..Hα-helixtrans-61.5-42.9174.2-84.3-66.9000112.3L92 L458 L461 L462 A465 I549 W550 I555 L556 L557L92-F553 HydrophobicContact CD1-CE2 4.18Å; L92-F553 HydrophobicContact CD2-CD1 4.25Å; L92-F553 HydrophobicContact CD2-CD2 4.23Å; L92-F553 HydrophobicContact CD2-CE1 3.89Å; L92-F553 HydrophobicContact CD2-CE2 3.88Å; L92-F553 HydrophobicContact CD2-CG 4.4Å; L92-F553 HydrophobicContact CD2-CZ 3.68Å; L458-F553 HydrophobicContact CD1-CD1 3.92Å; L458-F553 HydrophobicContact CD1-CE1 4.26Å; L461-F553 HydrophobicContact CG-CE1 4.23Å; L461-F553 HydrophobicContact CG-CZ 4.35Å; L462-F553 HydrophobicContact CB-CD1 4.43Å; L462-F553 HydrophobicContact CB-CE1 3.79Å; L462-F553 HydrophobicContact CB-CZ 4.24Å; L462-F553 HydrophobicContact CD1-CD1 3.95Å; L462-F553 HydrophobicContact CD1-CD2 4.25Å; L462-F553 HydrophobicContact CD1-CE1 3.81Å; L462-F553 HydrophobicContact CD1-CE2 4.11Å; L462-F553 HydrophobicContact CD1-CG 4.18Å; L462-F553 HydrophobicContact CD1-CZ 3.9Å; L462-F553 HydrophobicContact CG-CE1 4.44Å; A465-F553 HydrophobicContact CB-CE2 3.63Å; A465-F553 HydrophobicContact CB-CZ 3.47Å; A465-F553 VanDerWaalsContact CB-CZ 3.47Å; I549-F553 HydrophobicContact CG2-CD2 4.19Å; I549-F553 HydrophobicContact CG2-CE2 4.04Å; I549-F553 WeakPolarHBondContact O-CD2 3.35Å; I549-F553 PolarHBondContact O-N 2.95Å; I549-F553 VanDerWaalsContact O-N 3.13Å; W550-F553 HydrophobicContact CE3-CD2 4.33Å; W550-F553 PolarHBondContact O-N 3.19Å; F553-I555 VanDerWaalsContact C-N 3.35Å; F553-L556 PolarHBondContact O-N 3.44Å; F553-L557 WeakPolarHBondContact O-CB 3.22Å; F553-L557 PolarHBondContact O-N 3.23Å
554L91.1Very high87.2Confident101 Ų10157.6 Ų57.653%0.52927%0.274SS..Hα-helixtrans-61.6-43.8175.4-179.162.9000111.3W550 A551 Y552 L557 I558W550-L554 PolarHBondContact O-N 3.43Å; A551-L554 PolarHBondContact O-N 3.17Å; Y552-L554 PolarHBondContact O-N 3Å; L554-L557 PolarHBondContact O-N 3.06Å; L554-I558 HydrophobicContact CD1-CD1 4.27Å; L554-I558 HydrophobicContact CG-CD1 4.03Å; L554-I558 VanDerWaalsContact O-CG1 3.27Å; L554-I558 WeakPolarHBondContact O-CG1 3.25Å; L554-I558 PolarHBondContact O-N 3.38Å
555I89.1Confident86.5Confident73 Ų7356.2 Ų56.237%0.37427%0.265SS..Hα-helixtrans-59.8-51.4175.2-68.4163.9000109.7I88 A551 Y552 F553 L557 I558 Q559I88-I555 HydrophobicContact CD1-CG2 3.81Å; A551-I555 VanDerWaalsContact O-CG1 3.24Å; A551-I555 WeakPolarHBondContact O-CG1 3.24Å; A551-I555 PolarHBondContact O-N 3Å; Y552-I555 PolarHBondContact O-N 3.48Å; F553-I555 VanDerWaalsContact C-N 3.35Å; I555-L557 VanDerWaalsContact C-N 3.27Å; I555-L557 PolarHBondContact O-N 3.41Å; I555-I558 CarbonylContact O-C 3.48Å; I555-I558 WeakPolarHBondContact O-CB 3.45Å; I555-I558 PolarHBondContact O-N 2.93Å; I555-I558 VanDerWaalsContact O-N 3.11Å; I555-Q559 HydrophobicContact CG2-CG 4.18Å; I555-Q559 VanDerWaalsContact O-CG 3.27Å; I555-Q559 WeakPolarHBondContact O-CG 3.42Å; I555-Q559 PolarHBondContact O-N 3.2Å
556L89.4Confident86.1Confident0 Ų055.1 Ų55.10%026%0.261CS..Hα-helixtrans-59.1-38179.4-72.3171.9000112.6Q85 I88 Q89 L92 L458 L461 Y552 F553 Q559 S560Q85-L556 HydrophobicContact CB-CD2 4.01Å; Q85-L556 HydrophobicContact CG-CD2 4.02Å; Q85-L556 PolarHBondContact NE2-O 2.88Å; I88-L556 HydrophobicContact CB-CD2 3.81Å; I88-L556 HydrophobicContact CB-CG 4.43Å; I88-L556 HydrophobicContact CG2-CD1 4.21Å; I88-L556 HydrophobicContact CG2-CD2 3.6Å; I88-L556 HydrophobicContact CG2-CG 3.66Å; Q89-L556 HydrophobicContact CG-CD1 4.07Å; Q89-L556 HydrophobicContact CG-CD2 4Å; L92-L556 HydrophobicContact CD2-CD1 3.84Å; L458-L556 HydrophobicContact CD1-CB 3.59Å; L458-L556 HydrophobicContact CD1-CD1 3.88Å; L458-L556 HydrophobicContact CD1-CG 4.37Å; L461-L556 HydrophobicContact CD2-CD1 4.13Å; Y552-L556 WeakPolarHBondContact O-CG 3.23Å; Y552-L556 PolarHBondContact O-N 3.45Å; F553-L556 PolarHBondContact O-N 3.44Å; L556-Q559 PolarHBondContact O-N 3.32Å; L556-S560 WeakPolarHBondContact O-CB 3.29Å; L556-S560 PolarHBondContact O-N 3.41Å
557L88.4Confident85.5Confident81 Ų8154.6 Ų54.642%0.42426%0.258SS..Hα-helixtrans-64-46.4174.8-176.567.4000111.2L455 L458 F553 L554 I555 Q559 S560 T561L455-L557 HydrophobicContact CD2-CD1 4.34Å; L458-L557 HydrophobicContact CD2-CB 4.13Å; L458-L557 HydrophobicContact CD2-CD1 4Å; F553-L557 WeakPolarHBondContact O-CB 3.22Å; F553-L557 PolarHBondContact O-N 3.23Å; L554-L557 PolarHBondContact O-N 3.06Å; I555-L557 VanDerWaalsContact C-N 3.27Å; I555-L557 PolarHBondContact O-N 3.41Å; L557-Q559 PolarHBondContact O-N 3.4Å; L557-S560 PolarHBondContact O-N 3.2Å; L557-S560 PolarHBondContact O-OG 3.47Å; L557-T561 PolarHBondContact O-N 2.91Å; L557-T561 VanDerWaalsContact O-N 3.14Å; L557-T561 PolarHBondContact O-OG1 3.01Å; L557-T561 VanDerWaalsContact O-OG1 3.07Å
558I87.3Confident85Confident92 Ų9247.7 Ų47.747%0.47223%0.232SC..Hα-helixtrans-60.7-45.4174.4-67.2165.7000110L554 I555 S560 T561 A562L554-I558 HydrophobicContact CD1-CD1 4.27Å; L554-I558 HydrophobicContact CG-CD1 4.03Å; L554-I558 VanDerWaalsContact O-CG1 3.27Å; L554-I558 WeakPolarHBondContact O-CG1 3.25Å; L554-I558 PolarHBondContact O-N 3.38Å; I555-I558 CarbonylContact O-C 3.48Å; I555-I558 WeakPolarHBondContact O-CB 3.45Å; I555-I558 PolarHBondContact O-N 2.93Å; I555-I558 VanDerWaalsContact O-N 3.11Å; I558-S560 VanDerWaalsContact C-N 3.27Å; I558-S560 PolarHBondContact O-N 2.87Å; I558-T561 PolarHBondContact O-N 3.27Å; I558-T561 PolarHBondContact O-OG1 3.47Å; I558-A562 HydrophobicContact CG2-CB 4.27Å; I558-A562 WeakPolarHBondContact O-CA 3.28Å; I558-A562 WeakPolarHBondContact O-CB 3.4Å; I558-A562 PolarHBondContact O-N 3.42Å
559Q86Confident84.6Confident10 Ų1043.4 Ų43.45%0.04722%0.219CC..Hα-helixtrans-60.8-36.7177.1-66.7-167.9-44.800112.2V79 I80 Q85 I555 L556 L557 G563V79-Q559 PolarHBondContact O-NE2 3.17Å; I80-Q559 WeakPolarHBondContact O-CG 3.38Å; I80-Q559 PolarHBondContact O-NE2 2.77Å; Q85-Q559 HydrophobicContact CG-CB 4.03Å; I555-Q559 HydrophobicContact CG2-CG 4.18Å; I555-Q559 VanDerWaalsContact O-CG 3.27Å; I555-Q559 WeakPolarHBondContact O-CG 3.42Å; I555-Q559 PolarHBondContact O-N 3.2Å; L556-Q559 PolarHBondContact O-N 3.32Å; L557-Q559 PolarHBondContact O-N 3.4Å; Q559-G563 WeakPolarHBondContact O-CA 3.41Å; Q559-G563 PolarHBondContact O-N 3.21Å
560S82.5Confident84.3Confident0 Ų045.1 Ų45.10%023%0.226CC..Hα-helixtrans-67.4-39.1179.175.70000112.5L451 L556 L557 I558L451-S560 VanDerWaalsContact CD1-O 3.32Å; L451-S560 WeakPolarHBondContact CD1-O 3.37Å; L556-S560 WeakPolarHBondContact O-CB 3.29Å; L556-S560 PolarHBondContact O-N 3.41Å; L557-S560 PolarHBondContact O-N 3.2Å; L557-S560 PolarHBondContact O-OG 3.47Å; I558-S560 VanDerWaalsContact C-N 3.27Å; I558-S560 PolarHBondContact O-N 2.87Å
561T81Confident83.9Confident69 Ų6939.6 Ų39.642%0.42321%0.206SC..Hα-helixtrans-87.6-45.8-176.253.60000112.3L557 I558 Y565L557-T561 PolarHBondContact O-N 2.91Å; L557-T561 VanDerWaalsContact O-N 3.14Å; L557-T561 PolarHBondContact O-OG1 3.01Å; L557-T561 VanDerWaalsContact O-OG1 3.07Å; I558-T561 PolarHBondContact O-N 3.27Å; I558-T561 PolarHBondContact O-OG1 3.47Å; T561-Y565 WeakPolarHBondContact O-CE2 3.45Å
562A80.7Confident83.5Confident35 Ų3542 Ų4229%0.28922%0.215SC..Hα-helixtrans-75.7-30.6177.900000112.6I558 I564 Y565 L566I558-A562 HydrophobicContact CG2-CB 4.27Å; I558-A562 WeakPolarHBondContact O-CA 3.28Å; I558-A562 WeakPolarHBondContact O-CB 3.4Å; I558-A562 PolarHBondContact O-N 3.42Å; A562-I564 VanDerWaalsContact C-N 3.26Å; A562-I564 PolarHBondContact O-N 2.75Å; A562-Y565 WeakPolarHBondContact O-CB 3.29Å; A562-Y565 PolarHBondContact O-N 3.48Å; A562-L566 PolarHBondContact O-N 3.22Å
563G77.8Confident83.3Confident0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-54.3-39.4-175.900000113.8N81 Q559 Y565 L566 I567N81-G563 WeakPolarHBondContact OD1-CA 3.16Å; N81-G563 PolarHBondContact OD1-O 2.73Å; Q559-G563 WeakPolarHBondContact O-CA 3.41Å; Q559-G563 PolarHBondContact O-N 3.21Å; G563-Y565 PolarHBondContact O-N 3.27Å; G563-Y565 VanDerWaalsContact O-N 3.16Å; G563-L566 WeakPolarHBondContact O-CA 3.44Å; G563-L566 WeakPolarHBondContact O-CB 3.43Å; G563-L566 PolarHBondContact O-N 2.95Å; G563-I567 PolarHBondContact O-N 3.38Å
564I74.2Confident83.1Confident8 Ų839.5 Ų39.54%0.04121%0.205CC..Hα-helixtrans-53-41.9175.9-58169.1000111.6P443 E447 L451 A562P443-I564 HydrophobicContact CB-CG2 4.49Å; E447-I564 HydrophobicContact CB-CG2 3.64Å; E447-I564 HydrophobicContact CG-CG2 3.85Å; L451-I564 HydrophobicContact CB-CD1 3.74Å; L451-I564 HydrophobicContact CD1-CD1 4Å; L451-I564 HydrophobicContact CD2-CD1 3.9Å; L451-I564 HydrophobicContact CG-CD1 4.06Å; A562-I564 VanDerWaalsContact C-N 3.26Å; A562-I564 PolarHBondContact O-N 2.75Å
565Y75.5Confident82.8Confident84 Ų8435.9 Ų35.933%0.32919%0.188SC..Hα-helixtrans-80-32.3179.7-52.4-69.8000111.7L441 T561 A562 G563 I567 R568 L569L441-Y565 HydrophobicContact CD2-CE1 4.03Å; L441-Y565 PolarHBondContact O-OH 3.07Å; T561-Y565 WeakPolarHBondContact O-CE2 3.45Å; A562-Y565 WeakPolarHBondContact O-CB 3.29Å; A562-Y565 PolarHBondContact O-N 3.48Å; G563-Y565 PolarHBondContact O-N 3.27Å; G563-Y565 VanDerWaalsContact O-N 3.16Å; Y565-I567 VanDerWaalsContact C-N 3.31Å; Y565-I567 PolarHBondContact O-N 2.81Å; Y565-R568 WeakPolarHBondContact O-CB 3.1Å; Y565-R568 PolarHBondContact O-N 2.79Å; Y565-L569 PolarHBondContact O-N 2.88Å
566L78.4Confident82.6Confident33 Ų3338 Ų3817%0.17320%0.2CC..Hα-helixtrans-64.1-32.3174.6-68.6-179.3000112.7I77 I80 N81 A562 G563 R568 L569I77-L566 HydrophobicContact CG2-CB 3.75Å; I77-L566 HydrophobicContact CG2-CD2 4.25Å; I77-L566 HydrophobicContact CG2-CG 4.44Å; I77-L566 WeakPolarHBondContact CG2-O 3.29Å; I80-L566 HydrophobicContact CB-CD1 4.16Å; I80-L566 HydrophobicContact CG2-CD1 3.65Å; N81-L566 HydrophobicContact CB-CB 4.36Å; A562-L566 PolarHBondContact O-N 3.22Å; G563-L566 WeakPolarHBondContact O-CA 3.44Å; G563-L566 WeakPolarHBondContact O-CB 3.43Å; G563-L566 PolarHBondContact O-N 2.95Å; L566-R568 PolarHBondContact O-N 2.96Å; L566-L569 HydrophobicContact CD2-CD2 3.94Å; L566-L569 VanDerWaalsContact O-CB 3.26Å; L566-L569 WeakPolarHBondContact O-CB 3.39Å; L566-L569 PolarHBondContact O-N 3.34Å; L566-L569 VanDerWaalsContact O-N 3.1Å
567I75.4Confident82.5Confident19 Ų1939.8 Ų39.810%0.09721%0.21CC..Hα-helixtrans-57.7-41.3170.5-63.7172.7000110.3N81 G563 Y565 L569 R570N81-I567 WeakPolarHBondContact ND2-CG1 3.43Å; G563-I567 PolarHBondContact O-N 3.38Å; Y565-I567 VanDerWaalsContact C-N 3.31Å; Y565-I567 PolarHBondContact O-N 2.81Å; I567-L569 VanDerWaalsContact C-N 3.28Å; I567-L569 PolarHBondContact O-N 3.05Å; I567-R570 VanDerWaalsContact O-CD 3.3Å; I567-R570 WeakPolarHBondContact O-CD 3.4Å; I567-R570 WeakPolarHBondContact O-CG 3.27Å; I567-R570 PolarHBondContact O-N 3.38Å; I567-R570 PolarHBondContact O-NE 2.72Å
568R80.8Confident82.5Confident9 Ų938 Ų383%0.03420%0.199CC..Hα-helixtrans-70.7-27.5179.7-57.4-179.6179.6177.15.8112.1Y404 P438 T440 K442 E447 Y565 L566 R570 V571 L572Y404-R568 HydrophobicContact CE1-CG 4.17Å; P438-R568 WeakPolarHBondContact O-CD 2.97Å; P438-R568 PolarHBondContact O-NH1 2.96Å; T440-R568 PolarHBondContact O-NH1 3.2Å; K442-R568 PolarHBondContact O-NH2 3.16Å; E447-R568 IonicContact OE1-CZ 3.17Å; E447-R568 IonicContact OE1-NE 2.67Å; E447-R568 PolarHBondContact OE1-NE 3.34Å; E447-R568 IonicContact OE1-NH2 2.62Å; E447-R568 PolarHBondContact OE1-NH2 2.92Å; E447-R568 IonicContact OE2-CZ 2.77Å; E447-R568 IonicContact OE2-NE 2.68Å; E447-R568 IonicContact OE2-NH2 3.72Å; E447-R568 PolarHBondContact OE2-NH2 2.93Å; Y565-R568 WeakPolarHBondContact O-CB 3.1Å; Y565-R568 PolarHBondContact O-N 2.79Å; L566-R568 PolarHBondContact O-N 2.96Å; R568-R570 PolarHBondContact O-N 3.18Å; R568-V571 PolarHBondContact O-N 3.49Å; R568-L572 PolarHBondContact O-N 3.44Å
569L82.3Confident82.5Confident60 Ų6035.6 Ų35.631%0.31419%0.189SC..Hα-helixtrans-62.8-30177-169.262.3000112.3I77 Y565 L566 I567 V571 L572 I573I77-L569 HydrophobicContact CD1-CB 4.47Å; I77-L569 HydrophobicContact CD1-CD2 3.48Å; I77-L569 VanDerWaalsContact CD1-CD2 3.48Å; I77-L569 HydrophobicContact CD1-CG 3.82Å; I77-L569 HydrophobicContact CG1-CD2 4.05Å; I77-L569 HydrophobicContact CG2-CD2 4.5Å; Y565-L569 PolarHBondContact O-N 2.88Å; L566-L569 HydrophobicContact CD2-CD2 3.94Å; L566-L569 VanDerWaalsContact O-CB 3.26Å; L566-L569 WeakPolarHBondContact O-CB 3.39Å; L566-L569 PolarHBondContact O-N 3.34Å; L566-L569 VanDerWaalsContact O-N 3.1Å; I567-L569 VanDerWaalsContact C-N 3.28Å; I567-L569 PolarHBondContact O-N 3.05Å; L569-V571 VanDerWaalsContact C-N 3.28Å; L569-V571 PolarHBondContact O-N 3.02Å; L569-L572 HydrophobicContact CD1-CB 4.31Å; L569-L572 HydrophobicContact CD1-CD2 3.82Å; L569-L572 WeakPolarHBondContact O-CB 3.34Å; L569-L572 PolarHBondContact O-N 2.71Å; L569-L572 VanDerWaalsContact O-N 3.1Å; L569-I573 HydrophobicContact CG-CD1 4.13Å; L569-I573 WeakPolarHBondContact O-CG1 3.35Å; L569-I573 PolarHBondContact O-N 3.4Å
570R85.3Confident82.6Confident37 Ų3741.9 Ų41.914%0.1422%0.219CC..Hα-helixtrans-59.9-38.1176.186.5-165.4168.3178.4-7.2112.6I74 W390 E401 I567 R568 I573 A574I74-R570 HydrophobicContact CG1-CB 4.24Å; I74-R570 HydrophobicContact CG2-CB 4.05Å; W390-R570 HydrophobicContact CH2-CB 4.49Å; W390-R570 HydrophobicContact CH2-CG 3.7Å; W390-R570 HydrophobicContact CZ2-CG 3.62Å; W390-R570 HydrophobicContact CZ3-CG 4.24Å; E401-R570 IonicContact OE1-CZ 4Å; E401-R570 IonicContact OE1-NH2 2.69Å; E401-R570 PolarHBondContact OE1-NH2 3.38Å; E401-R570 IonicContact OE2-CZ 2.71Å; E401-R570 IonicContact OE2-NE 2.72Å; E401-R570 IonicContact OE2-NH2 3.77Å; E401-R570 PolarHBondContact OE2-NH2 3.07Å; I567-R570 VanDerWaalsContact O-CD 3.3Å; I567-R570 WeakPolarHBondContact O-CD 3.4Å; I567-R570 WeakPolarHBondContact O-CG 3.27Å; I567-R570 PolarHBondContact O-N 3.38Å; I567-R570 PolarHBondContact O-NE 2.72Å; R568-R570 PolarHBondContact O-N 3.18Å; R570-I573 PolarHBondContact O-N 3.4Å; R570-A574 WeakPolarHBondContact O-CB 3.22Å; R570-A574 PolarHBondContact O-N 3.33Å
571V82.6Confident82.9Confident12 Ų1244.1 Ų44.17%0.07323%0.228CC..Hα-helixtrans-70.8-37.9177.8-178.50000109.9W390 Y404 R568 L569 S575W390-V571 HydrophobicContact CH2-CG2 4.38Å; W390-V571 HydrophobicContact CZ2-CG2 4.07Å; Y404-V571 HydrophobicContact CD2-CB 4.38Å; Y404-V571 HydrophobicContact CD2-CG1 3.91Å; Y404-V571 HydrophobicContact CD2-CG2 4.12Å; Y404-V571 HydrophobicContact CE2-CB 4.42Å; Y404-V571 HydrophobicContact CE2-CG1 4.39Å; Y404-V571 HydrophobicContact CE2-CG2 3.73Å; R568-V571 PolarHBondContact O-N 3.49Å; L569-V571 VanDerWaalsContact C-N 3.28Å; L569-V571 PolarHBondContact O-N 3.02Å; V571-S575 VanDerWaalsContact O-CB 3.28Å; V571-S575 WeakPolarHBondContact O-CB 3.45Å; V571-S575 PolarHBondContact O-N 3.5Å; V571-S575 PolarHBondContact O-OG 3.24Å
572L83.3Confident83.3Confident84 Ų8441.3 Ų41.344%0.4421%0.209SC..Hα-helixtrans-63.1-44.7174.7-170.869000111R568 L569 S575 I576R568-L572 PolarHBondContact O-N 3.44Å; L569-L572 HydrophobicContact CD1-CB 4.31Å; L569-L572 HydrophobicContact CD1-CD2 3.82Å; L569-L572 WeakPolarHBondContact O-CB 3.34Å; L569-L572 PolarHBondContact O-N 2.71Å; L569-L572 VanDerWaalsContact O-N 3.1Å; L572-S575 WeakPolarHBondContact CA-OG 3.41Å; L572-S575 WeakPolarHBondContact O-CB 3.49Å; L572-S575 PolarHBondContact O-N 2.74Å; L572-S575 VanDerWaalsContact O-N 3.17Å; L572-S575 PolarHBondContact O-OG 3.12Å; L572-I576 HydrophobicContact CG-CD1 4.09Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 2.99Å
573I86.8Confident83.7Confident22 Ų2245.1 Ų45.111%0.11322%0.216CC..Hα-helixtrans-63.7-48.7178.2-72.1167.8000111.1L73 I74 I77 L569 R570 S575 I576 V577L73-I573 HydrophobicContact CB-CG2 4Å; L73-I573 HydrophobicContact CD1-CG2 4.3Å; I74-I573 HydrophobicContact CG1-CG2 4.26Å; I77-I573 HydrophobicContact CD1-CD1 2.95Å; I77-I573 HydrophobicContact CD1-CG1 4.38Å; I77-I573 HydrophobicContact CG1-CD1 4.42Å; L569-I573 HydrophobicContact CG-CD1 4.13Å; L569-I573 WeakPolarHBondContact O-CG1 3.35Å; L569-I573 PolarHBondContact O-N 3.4Å; R570-I573 PolarHBondContact O-N 3.4Å; I573-S575 PolarHBondContact O-N 3.21Å; I573-I576 PolarHBondContact O-N 3.48Å; I573-V577 HydrophobicContact CG2-CG2 4.32Å; I573-V577 WeakPolarHBondContact O-CG2 3.43Å; I573-V577 PolarHBondContact O-N 3.42Å
574A87.4Confident84.3Confident0 Ų048.6 Ų48.60%024%0.237CC..Hα-helixtrans-57.6-36.5175.300000111.6W390 F394 R570 F578W390-A574 HydrophobicContact CH2-CB 4.23Å; W390-A574 HydrophobicContact CZ3-CB 4.3Å; F394-A574 HydrophobicContact CD1-CB 4.3Å; F394-A574 HydrophobicContact CE1-CB 3.84Å; F394-A574 HydrophobicContact CE2-CB 4.07Å; F394-A574 HydrophobicContact CZ-CB 3.71Å; R570-A574 WeakPolarHBondContact O-CB 3.22Å; R570-A574 PolarHBondContact O-N 3.33Å; A574-F578 PolarHBondContact O-N 2.96Å
575S83.7Confident85.1Confident25 Ų2548.3 Ų48.318%0.17524%0.236CC..Hα-helixtrans-69.6-30.8177.180.10000114.3V571 L572 I573 P579V571-S575 VanDerWaalsContact O-CB 3.28Å; V571-S575 WeakPolarHBondContact O-CB 3.45Å; V571-S575 PolarHBondContact O-N 3.5Å; V571-S575 PolarHBondContact O-OG 3.24Å; L572-S575 WeakPolarHBondContact CA-OG 3.41Å; L572-S575 WeakPolarHBondContact O-CB 3.49Å; L572-S575 PolarHBondContact O-N 2.74Å; L572-S575 VanDerWaalsContact O-N 3.17Å; L572-S575 PolarHBondContact O-OG 3.12Å; I573-S575 PolarHBondContact O-N 3.21Å; S575-P579 WeakPolarHBondContact O-CA 3.35Å
576I86.1Confident85.8Confident119 Ų11944.4 Ų44.461%0.6122%0.22SC*.Hα-helixtrans-78-44.3177.9-68.9165.5000110.2L572 I573L572-I576 HydrophobicContact CG-CD1 4.09Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 2.99Å; I573-I576 PolarHBondContact O-N 3.48Å
577V86.8Confident86.3Confident37 Ų3748.3 Ų48.322%0.22424%0.239CC..Hα-helixtrans-73.5-38-178.1-175.90000111.5P66 C70 I573 P579P66-V577 HydrophobicContact CB-CG1 4.21Å; C70-V577 HydrophobicContact CB-CB 4.42Å; C70-V577 HydrophobicContact CB-CG1 4.17Å; C70-V577 HydrophobicContact CB-CG2 4.41Å; I573-V577 HydrophobicContact CG2-CG2 4.32Å; I573-V577 WeakPolarHBondContact O-CG2 3.43Å; I573-V577 PolarHBondContact O-N 3.42Å; V577-P579 VanDerWaalsContact C-CD 3.45Å; V577-P579 VanDerWaalsContact O-CD 3.31Å; V577-P579 WeakPolarHBondContact O-CD 3.36Å
578F88.8Confident87.2Confident42 Ų4251.2 Ų51.218%0.18425%0.249CC..  trans-121.970.3-178.8-65.7-85.2000112.1P66 T67 C70 F391 A574 E580 R581 Q582P66-F578 HydrophobicContact CB-CZ 4.01Å; P66-F578 HydrophobicContact CG-CE1 4.47Å; P66-F578 HydrophobicContact CG-CZ 4.23Å; T67-F578 HydrophobicContact CG2-CZ 4.06Å; C70-F578 HydrophobicContact CB-CE2 3.99Å; F391-F578 AromaticContact CE2-CD2 3.78Å; F391-F578 HydrophobicContact CE2-CD2 3.78Å; F391-F578 AromaticContact CE2-CE2 3.5Å; F391-F578 HydrophobicContact CE2-CE2 3.5Å; F391-F578 HydrophobicContact CE2-CZ 4.31Å; F391-F578 HydrophobicContact CZ-CD2 4.02Å; F391-F578 AromaticContact CZ-CE2 3.39Å; F391-F578 HydrophobicContact CZ-CE2 3.39Å; F391-F578 AromaticContact CZ-CZ 3.74Å; F391-F578 HydrophobicContact CZ-CZ 3.74Å; A574-F578 PolarHBondContact O-N 2.96Å; F578-E580 VanDerWaalsContact C-N 3.27Å; F578-E580 PolarHBondContact O-N 3.43Å; F578-R581 HydrophobicContact CB-CB 4.23Å; F578-R581 PolarHBondContact O-N 3.05Å; F578-Q582 PolarHBondContact O-N 3.5Å; F578-Q582 VanDerWaalsContact O-N 3.17Å
579P86.7Confident87.7Confident42 Ų4250.9 Ų50.927%0.27325%0.248SC..Hα-helixtrans-65.6-29.2-175.626.4-35000113.1S575 V577 Q582 R583S575-P579 WeakPolarHBondContact O-CA 3.35Å; V577-P579 VanDerWaalsContact C-CD 3.45Å; V577-P579 VanDerWaalsContact O-CD 3.31Å; V577-P579 WeakPolarHBondContact O-CD 3.36Å; P579-Q582 PolarHBondContact O-N 3.32Å; P579-R583 WeakPolarHBondContact O-CG 3.41Å; P579-R583 PolarHBondContact O-N 3.21Å
580E88Confident88.1Confident143 Ų14348 Ų4867%0.66823%0.233SC*.Hα-helixtrans-67.3-49.3179-64.6-176.6171.500111.6F578 Q582 R583 V584F578-E580 VanDerWaalsContact C-N 3.27Å; F578-E580 PolarHBondContact O-N 3.43Å; E580-Q582 VanDerWaalsContact C-N 3.26Å; E580-Q582 PolarHBondContact O-N 3.47Å; E580-R583 WeakPolarHBondContact O-CB 3.36Å; E580-R583 PolarHBondContact O-N 3.49Å; E580-R583 VanDerWaalsContact O-N 3.1Å; E580-V584 PolarHBondContact O-N 3.44Å
581R90.3Very high88.4Confident47 Ų4749.4 Ų49.418%0.17724%0.243CC..Hα-helixtrans-58.3-41.7174.3-176.965.4-178178.7-0.1110.9F394 Q395 E396 I398 F578 R583 V584 R585F394-R581 HydrophobicContact CE1-CG 4.01Å; F394-R581 PolarHBondContact O-NE 3.42Å; F394-R581 PolarHBondContact O-NH2 3.32Å; Q395-R581 VanDerWaalsContact C-NH2 3.33Å; Q395-R581 PolarHBondContact O-NE 3.41Å; Q395-R581 PolarHBondContact O-NH1 3.38Å; Q395-R581 PolarHBondContact O-NH2 3Å; E396-R581 VanDerWaalsContact C-NH2 3.26Å; E396-R581 PolarHBondContact O-NH2 3.4Å; I398-R581 VanDerWaalsContact CG1-NH2 3.25Å; F578-R581 HydrophobicContact CB-CB 4.23Å; F578-R581 PolarHBondContact O-N 3.05Å; R581-R583 VanDerWaalsContact C-N 3.34Å; R581-R583 PolarHBondContact O-N 3.37Å; R581-V584 PolarHBondContact O-N 2.86Å; R581-R585 VanDerWaalsContact O-CG 3.31Å; R581-R585 WeakPolarHBondContact O-CG 3.04Å; R581-R585 PolarHBondContact O-N 3.44Å
582Q87.7Confident88.8Confident9 Ų949.9 Ų49.94%0.04225%0.245CC..Hα-helixtrans-62.5-38.4177.4-172.163.126.400112.7F578 P579 E580 R585 N586F578-Q582 PolarHBondContact O-N 3.5Å; F578-Q582 VanDerWaalsContact O-N 3.17Å; P579-Q582 PolarHBondContact O-N 3.32Å; E580-Q582 VanDerWaalsContact C-N 3.26Å; E580-Q582 PolarHBondContact O-N 3.47Å; Q582-R585 PolarHBondContact O-N 3.4Å; Q582-N586 PolarHBondContact NE2-OD1 3.49Å; Q582-N586 WeakPolarHBondContact O-CB 3.41Å; Q582-N586 PolarHBondContact O-N 3.08Å; Q582-N586 PolarHBondContact O-ND2 3.45Å
583R89.2Confident89.1Confident115 Ų11546.2 Ų46.243%0.43423%0.226SC..Hα-helixtrans-62.2-44.5176-73175.4-166163.48.5111.8P579 E580 R581 R585 N586 M587P579-R583 WeakPolarHBondContact O-CG 3.41Å; P579-R583 PolarHBondContact O-N 3.21Å; E580-R583 WeakPolarHBondContact O-CB 3.36Å; E580-R583 PolarHBondContact O-N 3.49Å; E580-R583 VanDerWaalsContact O-N 3.1Å; R581-R583 VanDerWaalsContact C-N 3.34Å; R581-R583 PolarHBondContact O-N 3.37Å; R583-R585 VanDerWaalsContact C-N 3.34Å; R583-R585 PolarHBondContact O-N 3.02Å; R583-N586 PolarHBondContact O-N 2.95Å; R583-M587 WeakPolarHBondContact O-CB 3.08Å; R583-M587 PolarHBondContact O-N 3.35Å
584V91.1Very high89.3Confident73 Ų7346.5 Ų46.544%0.44223%0.227SC..Hα-helixtrans-59.5-47175.9177.10000110.4I398 E580 R581 N586 M587 W588I398-V584 HydrophobicContact CD1-CG1 3.96Å; E580-V584 PolarHBondContact O-N 3.44Å; R581-V584 PolarHBondContact O-N 2.86Å; V584-N586 PolarHBondContact O-N 3.39Å; V584-M587 PolarHBondContact O-N 2.82Å; V584-W588 WeakPolarHBondContact O-CB 3.34Å; V584-W588 PolarHBondContact O-N 3.34Å
585R91.4Very high89.4Confident3 Ų354.5 Ų54.51%0.01126%0.258CS..Hα-helixtrans-59.6-44.9177.2-68.9169.467.189.810.8112.4F394 D397 I398 H400 N402 R581 Q582 R583 M587 W588 L589F394-R585 VanDerWaalsContact CE2-NE 3.32Å; F394-R585 PolarHBondContact O-NH1 2.96Å; D397-R585 PolarHBondContact O-NH1 3.06Å; I398-R585 HydrophobicContact CG2-CB 4.43Å; I398-R585 HydrophobicContact CG2-CG 4.05Å; H400-R585 PolarHBondContact O-NH2 3.13Å; N402-R585 PolarHBondContact ND2-O 2.78Å; R581-R585 VanDerWaalsContact O-CG 3.31Å; R581-R585 WeakPolarHBondContact O-CG 3.04Å; R581-R585 PolarHBondContact O-N 3.44Å; Q582-R585 PolarHBondContact O-N 3.4Å; R583-R585 VanDerWaalsContact C-N 3.34Å; R583-R585 PolarHBondContact O-N 3.02Å; R585-M587 PolarHBondContact O-N 3.29Å; R585-W588 PolarHBondContact O-N 2.95Å; R585-L589 WeakPolarHBondContact O-CB 3.44Å; R585-L589 PolarHBondContact O-N 3.4Å
586N89Confident89.6Confident1 Ų157.3 Ų57.31%0.00527%0.268CS..Hα-helixtrans-66.2-37.7177-67.7-42.4000112.9T406 T408 I412 Q582 R583 V584 L589 Y590T406-N586 PolarHBondContact OG1-ND2 2.84Å; T406-N586 PolarHBondContact OG1-OD1 3.25Å; T408-N586 PolarHBondContact OG1-ND2 3.35Å; I412-N586 HydrophobicContact CD1-CB 4.47Å; Q582-N586 PolarHBondContact NE2-OD1 3.49Å; Q582-N586 WeakPolarHBondContact O-CB 3.41Å; Q582-N586 PolarHBondContact O-N 3.08Å; Q582-N586 PolarHBondContact O-ND2 3.45Å; R583-N586 PolarHBondContact O-N 2.95Å; V584-N586 PolarHBondContact O-N 3.39Å; N586-L589 PolarHBondContact O-N 3.29Å; N586-Y590 WeakPolarHBondContact O-CB 3.44Å; N586-Y590 PolarHBondContact O-N 3.4Å
587M90.9Very high89.6Confident115 Ų11552.9 Ų52.957%0.56724%0.244SC*.Hα-helixtrans-66.7-43.4176.9-176.2172178.900111.3I412 R583 V584 R585 Y590 N591I412-M587 HydrophobicContact CD1-CB 4.43Å; R583-M587 WeakPolarHBondContact O-CB 3.08Å; R583-M587 PolarHBondContact O-N 3.35Å; V584-M587 PolarHBondContact O-N 2.82Å; R585-M587 PolarHBondContact O-N 3.29Å; M587-Y590 PolarHBondContact O-N 3.41Å; M587-N591 WeakPolarHBondContact O-CB 3.34Å; M587-N591 PolarHBondContact O-N 3.09Å; M587-N591 PolarHBondContact O-ND2 2.65Å
588W92.4Very high89.6Confident81 Ų8153.8 Ų53.831%0.30726%0.255SS..Hα-helixtrans-59.8-49.4172.6179.792.8000111.2I398 T399 N402 V584 R585 Y590 N591 D592I398-W588 HydrophobicContact CB-CG 4.47Å; I398-W588 HydrophobicContact CG2-CB 3.44Å; I398-W588 VanDerWaalsContact CG2-CB 3.44Å; I398-W588 HydrophobicContact CG2-CD2 3.81Å; I398-W588 HydrophobicContact CG2-CE3 4.18Å; I398-W588 HydrophobicContact CG2-CG 3.46Å; I398-W588 VanDerWaalsContact CG2-CG 3.46Å; T399-W588 HydrophobicContact CG2-CH2 3.53Å; T399-W588 HydrophobicContact CG2-CZ2 3.28Å; T399-W588 HydrophobicContact CG2-CZ3 4.31Å; N402-W588 HydrophobicContact CB-CZ3 4.45Å; N402-W588 VanDerWaalsContact ND2-CE3 3.33Å; V584-W588 WeakPolarHBondContact O-CB 3.34Å; V584-W588 PolarHBondContact O-N 3.34Å; R585-W588 PolarHBondContact O-N 2.95Å; W588-Y590 VanDerWaalsContact C-N 3.31Å; W588-Y590 PolarHBondContact O-N 3.44Å; W588-N591 PolarHBondContact O-N 3.15Å; W588-D592 HydrophobicContact CD2-CB 4.49Å; W588-D592 HydrophobicContact CE3-CB 4.44Å; W588-D592 HydrophobicContact CH2-CB 4.25Å; W588-D592 HydrophobicContact CZ2-CB 4.26Å; W588-D592 HydrophobicContact CZ3-CB 4.34Å; W588-D592 WeakPolarHBondContact O-CB 3.41Å; W588-D592 PolarHBondContact O-N 3.49Å
589L91.5Very high89.6Confident1 Ų155.6 Ų55.61%0.00527%0.266CS..Hα-helixtrans-58.7-43.3179.3178.257.8000111.5N402 R585 N586 M593N402-L589 VanDerWaalsContact O-CD1 3.23Å; N402-L589 WeakPolarHBondContact O-CD1 3.38Å; R585-L589 WeakPolarHBondContact O-CB 3.44Å; R585-L589 PolarHBondContact O-N 3.4Å; N586-L589 PolarHBondContact O-N 3.29Å; L589-M593 HydrophobicContact CD1-CG 4.34Å; L589-M593 HydrophobicContact CG-SD 4.49Å; L589-M593 WeakPolarHBondContact O-CB 3.49Å; L589-M593 VanDerWaalsContact O-CG 3.27Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.05Å
590Y91.6Very high89.6Confident0 Ų056.7 Ų56.70%027%0.265CS..Hα-helixtrans-62.4-46.6177-169.7-81.1000112.1W409 I412 D413 R416 L424 N586 M587 W588 M593 L594W409-Y590 HydrophobicContact CD2-CD2 4.09Å; W409-Y590 AromaticContact CE2-CD2 3.59Å; W409-Y590 HydrophobicContact CG-CD2 4.49Å; W409-Y590 HydrophobicContact CH2-CD2 4.35Å; W409-Y590 HydrophobicContact CH2-CE2 4.25Å; W409-Y590 AromaticContact CZ2-CD2 3.75Å; W409-Y590 HydrophobicContact CZ2-CD2 3.75Å; W409-Y590 HydrophobicContact CZ2-CE2 4.06Å; W409-Y590 AromaticContact NE1-CD2 3.75Å; I412-Y590 HydrophobicContact CB-CD2 4.13Å; I412-Y590 HydrophobicContact CB-CE2 4.4Å; I412-Y590 HydrophobicContact CB-CG 4.4Å; I412-Y590 HydrophobicContact CG2-CD1 3.78Å; I412-Y590 HydrophobicContact CG2-CD2 3.83Å; I412-Y590 HydrophobicContact CG2-CE1 3.98Å; I412-Y590 HydrophobicContact CG2-CE2 4.03Å; I412-Y590 HydrophobicContact CG2-CG 3.71Å; D413-Y590 HydrophobicContact CB-CE2 3.76Å; D413-Y590 WeakPolarHBondContact OD1-CE2 3.45Å; D413-Y590 PolarHBondContact OD1-OH 2.94Å; R416-Y590 WeakPolarHBondContact CD-OH 3.4Å; L424-Y590 HydrophobicContact CB-CE2 4.45Å; L424-Y590 HydrophobicContact CD1-CD1 4.28Å; L424-Y590 HydrophobicContact CD1-CD2 3.81Å; L424-Y590 HydrophobicContact CD1-CE1 4.13Å; L424-Y590 HydrophobicContact CD1-CE2 3.64Å; L424-Y590 HydrophobicContact CD1-CG 4.12Å; L424-Y590 HydrophobicContact CG-CE2 4.3Å; N586-Y590 WeakPolarHBondContact O-CB 3.44Å; N586-Y590 PolarHBondContact O-N 3.4Å; M587-Y590 PolarHBondContact O-N 3.41Å; W588-Y590 VanDerWaalsContact C-N 3.31Å; W588-Y590 PolarHBondContact O-N 3.44Å; Y590-M593 PolarHBondContact O-N 3.04Å; Y590-L594 HydrophobicContact CD1-CD1 3.94Å; Y590-L594 HydrophobicContact CD1-CG 4.3Å; Y590-L594 HydrophobicContact CE1-CD1 3.56Å; Y590-L594 HydrophobicContact CE1-CG 3.97Å; Y590-L594 PolarHBondContact O-N 2.9Å
591N91.6Very high89.4Confident67 Ų6750.6 Ų50.636%0.35824%0.238SC..Hα-helixtrans-68.7-37.8179.2-73-21.5000112.2R416 M587 W588 L594 R595R416-N591 PolarHBondContact NH1-OD1 3.39Å; R416-N591 VanDerWaalsContact NH1-OD1 3.16Å; M587-N591 WeakPolarHBondContact O-CB 3.34Å; M587-N591 PolarHBondContact O-N 3.09Å; M587-N591 PolarHBondContact O-ND2 2.65Å; W588-N591 PolarHBondContact O-N 3.15Å; N591-L594 PolarHBondContact O-N 2.99Å; N591-R595 PolarHBondContact O-N 3.21Å
592D90.9Very high89Confident21 Ų2154.3 Ų54.311%0.11225%0.252CS..Hα-helixtrans-64-42.8174.4-177.355.9000111R434 W588 L594 R595 Q596R434-D592 IonicContact CZ-OD2 2.72Å; R434-D592 IonicContact NH1-OD2 3.26Å; R434-D592 PolarHBondContact NH1-OD2 2.99Å; R434-D592 IonicContact NH2-OD2 3.74Å; R434-D592 PolarHBondContact NH2-OD2 3.1Å; W588-D592 HydrophobicContact CD2-CB 4.49Å; W588-D592 HydrophobicContact CE3-CB 4.44Å; W588-D592 HydrophobicContact CH2-CB 4.25Å; W588-D592 HydrophobicContact CZ2-CB 4.26Å; W588-D592 HydrophobicContact CZ3-CB 4.34Å; W588-D592 WeakPolarHBondContact O-CB 3.41Å; W588-D592 PolarHBondContact O-N 3.49Å; D592-L594 PolarHBondContact O-N 3.24Å; D592-R595 WeakPolarHBondContact O-CB 3.48Å; D592-R595 PolarHBondContact O-N 3.06Å; D592-R595 VanDerWaalsContact O-N 3.15Å; D592-Q596 VanDerWaalsContact O-CG 3.3Å; D592-Q596 WeakPolarHBondContact O-CG 3.46Å; D592-Q596 PolarHBondContact O-N 3.18Å
593M89.6Confident89Confident8 Ų858.4 Ų58.44%0.03927%0.271CS..Hα-helixtrans-60.9-41.7173.6-77.1-178.463.200113.2W409 L424 L427 E431 I435 L589 Y590 R595 Q596 R597W409-M593 HydrophobicContact CH2-CE 4.34Å; W409-M593 HydrophobicContact CZ2-CE 3.74Å; W409-M593 HydrophobicContact CZ2-SD 3.54Å; W409-M593 VanDerWaalsContact CZ2-SD 3.54Å; L424-M593 HydrophobicContact CD1-CB 3.65Å; L424-M593 HydrophobicContact CD1-CE 3.96Å; L424-M593 HydrophobicContact CD1-SD 4.28Å; L424-M593 HydrophobicContact CD2-CB 4.17Å; L424-M593 HydrophobicContact CD2-CE 4.35Å; L427-M593 HydrophobicContact CD2-CE 3.55Å; E431-M593 HydrophobicContact CB-CE 4.44Å; I435-M593 HydrophobicContact CD1-CE 3.19Å; I435-M593 HydrophobicContact CD1-CG 4.35Å; I435-M593 HydrophobicContact CD1-SD 3.31Å; I435-M593 WeakPolarHBondContact CD1-SD 3.4Å; I435-M593 HydrophobicContact CG1-SD 4.25Å; L589-M593 HydrophobicContact CD1-CG 4.34Å; L589-M593 HydrophobicContact CG-SD 4.49Å; L589-M593 WeakPolarHBondContact O-CB 3.49Å; L589-M593 VanDerWaalsContact O-CG 3.27Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.05Å; Y590-M593 PolarHBondContact O-N 3.04Å; M593-R595 VanDerWaalsContact C-N 3.32Å; M593-R595 PolarHBondContact O-N 3.41Å; M593-Q596 PolarHBondContact O-N 3.18Å; M593-R597 WeakPolarHBondContact O-CB 3.5Å; M593-R597 PolarHBondContact O-N 3.3Å
594L89.9Confident88.8Confident27 Ų2755.3 Ų55.314%0.14126%0.259CS..Hα-helixtrans-60.6-43.4173.5-78.1177.6000111.5L424 Y590 N591 D592 R597 A598L424-L594 HydrophobicContact CD1-CD2 4.34Å; L424-L594 HydrophobicContact CD1-CG 4.17Å; L424-L594 HydrophobicContact CD2-CD2 3.76Å; L424-L594 HydrophobicContact CD2-CG 4.25Å; L424-L594 HydrophobicContact CG-CD2 3.78Å; L424-L594 HydrophobicContact CG-CG 4.16Å; Y590-L594 HydrophobicContact CD1-CD1 3.94Å; Y590-L594 HydrophobicContact CD1-CG 4.3Å; Y590-L594 HydrophobicContact CE1-CD1 3.56Å; Y590-L594 HydrophobicContact CE1-CG 3.97Å; Y590-L594 PolarHBondContact O-N 2.9Å; N591-L594 PolarHBondContact O-N 2.99Å; D592-L594 PolarHBondContact O-N 3.24Å; L594-R597 PolarHBondContact O-N 3.33Å; L594-A598 PolarHBondContact O-N 3.39Å
595R89.7Confident88.3Confident169 Ų16952.6 Ų52.664%0.63824%0.241SC*.Hα-helixtrans-60.7-46.4175.6-177.6-177.1178.5-176.90.4111N591 D592 M593 R597 A598 L599N591-R595 PolarHBondContact O-N 3.21Å; D592-R595 WeakPolarHBondContact O-CB 3.48Å; D592-R595 PolarHBondContact O-N 3.06Å; D592-R595 VanDerWaalsContact O-N 3.15Å; M593-R595 VanDerWaalsContact C-N 3.32Å; M593-R595 PolarHBondContact O-N 3.41Å; R595-R597 PolarHBondContact O-N 3.02Å; R595-A598 PolarHBondContact O-N 2.93Å; R595-L599 HydrophobicContact CG-CD1 4.18Å; R595-L599 HydrophobicContact CG-CG 4.47Å; R595-L599 WeakPolarHBondContact O-CG 3.43Å; R595-L599 PolarHBondContact O-N 3.02Å
596Q87.7Confident87.9Confident84 Ų8453.6 Ų53.639%0.39325%0.247SC..Hα-helixtrans-63.3-39.8178.4-69.7-62.2-22.800112.2D592 M593 L599 Y600D592-Q596 VanDerWaalsContact O-CG 3.3Å; D592-Q596 WeakPolarHBondContact O-CG 3.46Å; D592-Q596 PolarHBondContact O-N 3.18Å; M593-Q596 PolarHBondContact O-N 3.18Å; Q596-L599 PolarHBondContact O-N 3.39Å; Q596-Y600 VanDerWaalsContact O-CB 3.28Å; Q596-Y600 WeakPolarHBondContact O-CB 3.42Å; Q596-Y600 PolarHBondContact O-N 3.31Å
597R87.5Confident87.6Confident26 Ų2655.6 Ų55.610%0.09826%0.257CS..Hα-helixtrans-60.7-44.5172.6180176.4-69.8-167.8-3.4111.6I423 L424 E431 M593 L594 R595 Y600 N601I423-R597 PolarHBondContact O-NH1 2.89Å; L424-R597 PolarHBondContact O-NH1 3.43Å; L424-R597 PolarHBondContact O-NH2 3.11Å; E431-R597 IonicContact OE1-CZ 3.77Å; E431-R597 IonicContact OE1-NE 2.71Å; E431-R597 PolarHBondContact OE1-NE 3.27Å; E431-R597 IonicContact OE1-NH2 3.69Å; E431-R597 PolarHBondContact OE1-NH2 3.16Å; E431-R597 IonicContact OE2-CZ 3.4Å; E431-R597 IonicContact OE2-NE 3.24Å; E431-R597 IonicContact OE2-NH2 3.21Å; E431-R597 PolarHBondContact OE2-NH2 3.1Å; M593-R597 WeakPolarHBondContact O-CB 3.5Å; M593-R597 PolarHBondContact O-N 3.3Å; L594-R597 PolarHBondContact O-N 3.33Å; R595-R597 PolarHBondContact O-N 3.02Å; R597-Y600 PolarHBondContact O-N 2.04Å; R597-N601 WeakPolarHBondContact O-CB 3.42Å; R597-N601 VanDerWaalsContact O-CG 3.29Å; R597-N601 PolarHBondContact O-N 3.28Å
598A86.7Confident87.3Confident56 Ų5650.1 Ų50.146%0.46323%0.23SC..Hα-helixtrans-64-42.9176.900000112.3L594 R595 N601 R602L594-A598 PolarHBondContact O-N 3.39Å; R595-A598 PolarHBondContact O-N 2.93Å; A598-N601 PolarHBondContact O-N 2.99Å; A598-R602 WeakPolarHBondContact O-CB 3.21Å; A598-R602 PolarHBondContact O-N 2.94Å
599L87.5Confident86.7Confident79 Ų7946.7 Ų46.741%0.41422%0.218SC..Hα-helixtrans-62.7-45.6175-71.8174.7000111.6R595 Q596 N601 R602 Q603R595-L599 HydrophobicContact CG-CD1 4.18Å; R595-L599 HydrophobicContact CG-CG 4.47Å; R595-L599 WeakPolarHBondContact O-CG 3.43Å; R595-L599 PolarHBondContact O-N 3.02Å; Q596-L599 PolarHBondContact O-N 3.39Å; L599-N601 PolarHBondContact O-N 2.94Å; L599-R602 PolarHBondContact O-N 2.82Å; L599-Q603 PolarHBondContact O-N 2.94Å
600Y86.7Confident86.1Confident65 Ų6553.4 Ų53.426%0.25524%0.243SC..Hα-helixtrans-59.3-47.8175.9-178-89.5000111.2Y430 Q596 R597 R602 Q603 R604 W635Y430-Y600 HydrophobicContact CD1-CD1 4.31Å; Y430-Y600 HydrophobicContact CD1-CD2 4.41Å; Y430-Y600 AromaticContact CD1-CE1 3.91Å; Y430-Y600 HydrophobicContact CD1-CE1 3.91Å; Y430-Y600 HydrophobicContact CD1-CE2 4.02Å; Y430-Y600 AromaticContact CD1-CZ 3.74Å; Y430-Y600 HydrophobicContact CD2-CD2 4.08Å; Y430-Y600 HydrophobicContact CD2-CE2 4.37Å; Y430-Y600 HydrophobicContact CD2-CG 4.24Å; Y430-Y600 AromaticContact CE1-CD1 3.64Å; Y430-Y600 HydrophobicContact CE1-CD1 3.64Å; Y430-Y600 HydrophobicContact CE1-CD2 4.45Å; Y430-Y600 AromaticContact CE1-CE1 3.49Å; Y430-Y600 HydrophobicContact CE1-CE1 3.49Å; Y430-Y600 VanDerWaalsContact CE1-CE1 3.49Å; Y430-Y600 HydrophobicContact CE1-CE2 4.32Å; Y430-Y600 HydrophobicContact CE1-CG 4.13Å; Y430-Y600 AromaticContact CE1-CZ 3.84Å; Y430-Y600 HydrophobicContact CE2-CD1 4.1Å; Y430-Y600 HydrophobicContact CE2-CD2 4.14Å; Y430-Y600 AromaticContact CE2-CG 3.82Å; Y430-Y600 HydrophobicContact CE2-CG 3.82Å; Y430-Y600 HydrophobicContact CG-CD2 4.23Å; Y430-Y600 HydrophobicContact CG-CE2 4.05Å; Y430-Y600 AromaticContact CZ-CD1 3.54Å; Y430-Y600 AromaticContact CZ-CE1 3.92Å; Y430-Y600 AromaticContact CZ-CG 3.76Å; Q596-Y600 VanDerWaalsContact O-CB 3.28Å; Q596-Y600 WeakPolarHBondContact O-CB 3.42Å; Q596-Y600 PolarHBondContact O-N 3.31Å; R597-Y600 PolarHBondContact O-N 2.04Å; Y600-R602 VanDerWaalsContact C-N 3.33Å; Y600-R602 PolarHBondContact O-N 3.41Å; Y600-Q603 PolarHBondContact O-N 3.5Å; Y600-R604 VanDerWaalsContact O-CB 3.32Å; Y600-R604 WeakPolarHBondContact O-CB 3.47Å; Y600-R604 PolarHBondContact O-N 3.3Å; Y600-W635 WeakPolarHBondContact CE1-O 3.49Å; Y600-W635 PolarHBondContact OH-O 3.28Å
601N84.2Confident85.7Confident16 Ų1654.8 Ų54.89%0.08625%0.25CC..Hα-helixtrans-62.2-40.1178-75.6-4.8000111.5R597 A598 L599 R604 K605 W635 E664R597-N601 WeakPolarHBondContact O-CB 3.42Å; R597-N601 VanDerWaalsContact O-CG 3.29Å; R597-N601 PolarHBondContact O-N 3.28Å; A598-N601 PolarHBondContact O-N 2.99Å; L599-N601 PolarHBondContact O-N 2.94Å; N601-R604 PolarHBondContact O-N 3.2Å; N601-K605 VanDerWaalsContact O-CG 3.3Å; N601-K605 WeakPolarHBondContact O-CG 3.47Å; N601-K605 PolarHBondContact O-N 3.47Å; N601-W635 PolarHBondContact OD1-NE1 3.08Å; N601-E664 PolarHBondContact ND2-OE1 3.11Å; N601-E664 PolarHBondContact ND2-OE2 2.93Å; N601-E664 VanDerWaalsContact ND2-OE2 3.07Å
602R83.2Confident85Confident125 Ų12552.7 Ų52.747%0.47224%0.242SC..Hα-helixtrans-62.7-48.7174.2-177.6179.8177-179.1-2.2111.6A598 L599 Y600 R604 K605 I606A598-R602 WeakPolarHBondContact O-CB 3.21Å; A598-R602 PolarHBondContact O-N 2.94Å; L599-R602 PolarHBondContact O-N 2.82Å; Y600-R602 VanDerWaalsContact C-N 3.33Å; Y600-R602 PolarHBondContact O-N 3.41Å; R602-R604 VanDerWaalsContact C-N 3.29Å; R602-R604 PolarHBondContact O-N 2.86Å; R602-K605 WeakPolarHBondContact O-CB 3.39Å; R602-K605 PolarHBondContact O-N 2.8Å; R602-I606 HydrophobicContact CG-CD1 4.27Å; R602-I606 WeakPolarHBondContact O-CG1 3.08Å; R602-I606 PolarHBondContact O-N 2.85Å; R602-I606 VanDerWaalsContact O-N 3.12Å
603Q86.5Confident84.2Confident95 Ų9555.8 Ų55.844%0.44426%0.257SS..Hα-helixtrans-62.6-39.8178.5-171.260.938.500111.3L599 Y600 K605 I606 N607L599-Q603 PolarHBondContact O-N 2.94Å; Y600-Q603 PolarHBondContact O-N 3.5Å; Q603-K605 VanDerWaalsContact C-N 3.35Å; Q603-K605 PolarHBondContact O-N 3.45Å; Q603-I606 PolarHBondContact O-N 2.96Å; Q603-N607 PolarHBondContact NE2-OD1 3.14Å; Q603-N607 VanDerWaalsContact O-CG 3.24Å; Q603-N607 PolarHBondContact O-N 3.43Å; Q603-N607 PolarHBondContact O-OD1 3.48Å
604R85.7Confident83Confident49 Ų4958.8 Ų58.819%0.18529%0.29CS..Hα-helixtrans-64.8-39.4178.8-157.473-173150.13.6112Y600 N601 R602 N607 I608 L634 W635Y600-R604 VanDerWaalsContact O-CB 3.32Å; Y600-R604 WeakPolarHBondContact O-CB 3.47Å; Y600-R604 PolarHBondContact O-N 3.3Å; N601-R604 PolarHBondContact O-N 3.2Å; R602-R604 VanDerWaalsContact C-N 3.29Å; R602-R604 PolarHBondContact O-N 2.86Å; R604-N607 PolarHBondContact O-N 3.02Å; R604-I608 HydrophobicContact CG-CD1 3.94Å; R604-I608 WeakPolarHBondContact O-CB 3.42Å; R604-I608 VanDerWaalsContact O-CG1 3.28Å; R604-I608 WeakPolarHBondContact O-CG1 3.37Å; R604-I608 PolarHBondContact O-N 3.45Å; R604-L634 PolarHBondContact NE-O 2.89Å; R604-L634 PolarHBondContact NH2-O 3.14Å; R604-W635 WeakPolarHBondContact CD-O 3.26Å; R604-W635 HydrophobicContact CG-CD2 4.26Å; R604-W635 HydrophobicContact CG-CE3 4.21Å; R604-W635 WeakPolarHBondContact CG-O 3.03Å; R604-W635 PolarHBondContact NE-O 3.44Å
605K80.9Confident81.7Confident16 Ų1660.5 Ų60.57%0.0731%0.314CS..Hα-helixtrans-59.1-48.5172.3-75.8171.6-177.4-176.10112.1N601 R602 Q603 N607 I608 N609 W635 M693N601-K605 VanDerWaalsContact O-CG 3.3Å; N601-K605 WeakPolarHBondContact O-CG 3.47Å; N601-K605 PolarHBondContact O-N 3.47Å; R602-K605 WeakPolarHBondContact O-CB 3.39Å; R602-K605 PolarHBondContact O-N 2.8Å; Q603-K605 VanDerWaalsContact C-N 3.35Å; Q603-K605 PolarHBondContact O-N 3.45Å; K605-N607 VanDerWaalsContact C-N 3.33Å; K605-N607 PolarHBondContact O-N 3.33Å; K605-I608 PolarHBondContact O-N 2.97Å; K605-N609 VanDerWaalsContact O-CB 3.26Å; K605-N609 WeakPolarHBondContact O-CB 3.39Å; K605-N609 PolarHBondContact O-N 3.45Å; K605-W635 HydrophobicContact CD-CH2 4.34Å; K605-W635 HydrophobicContact CG-CH2 3.43Å; K605-W635 VanDerWaalsContact CG-CH2 3.43Å; K605-W635 HydrophobicContact CG-CZ2 4.09Å; K605-W635 HydrophobicContact CG-CZ3 4.32Å; K605-M693 PolarHBondContact NZ-O 2.67Å
606I81.5Confident80.8Confident25 Ų2558.1 Ų58.113%0.12831%0.31CS..Hα-helixtrans-60-46.2178.6-65.5166.7000110.2R602 Q603 N609 R610R602-I606 HydrophobicContact CG-CD1 4.27Å; R602-I606 WeakPolarHBondContact O-CG1 3.08Å; R602-I606 PolarHBondContact O-N 2.85Å; R602-I606 VanDerWaalsContact O-N 3.12Å; Q603-I606 PolarHBondContact O-N 2.96Å; I606-N609 PolarHBondContact O-N 3.23Å; I606-R610 WeakPolarHBondContact O-CG 3.49Å; I606-R610 PolarHBondContact O-N 3Å
607N84.5Confident80Confident43 Ų4360.9 Ų60.923%0.2332%0.323CS..Hα-helixtrans-63.6-43.8179.9-68.22.6000112Q603 R604 K605 R610 M611Q603-N607 PolarHBondContact NE2-OD1 3.14Å; Q603-N607 VanDerWaalsContact O-CG 3.24Å; Q603-N607 PolarHBondContact O-N 3.43Å; Q603-N607 PolarHBondContact O-OD1 3.48Å; R604-N607 PolarHBondContact O-N 3.02Å; K605-N607 VanDerWaalsContact C-N 3.33Å; K605-N607 PolarHBondContact O-N 3.33Å; N607-R610 PolarHBondContact O-N 3.27Å; N607-M611 HydrophobicContact CB-CE 4.48Å; N607-M611 VanDerWaalsContact O-CG 3.26Å; N607-M611 WeakPolarHBondContact O-CG 3.07Å; N607-M611 PolarHBondContact O-N 3.32Å; N607-M611 VanDerWaalsContact O-N 3.11Å
608I82.6Confident79.5Confident0 Ų061.1 Ų61.10%033%0.325CS..Hα-helixtrans-69.3-36.5178.2-66.5167.7000110.9R604 K605 M611 A612 F618 L634 W635 A670 L674R604-I608 HydrophobicContact CG-CD1 3.94Å; R604-I608 WeakPolarHBondContact O-CB 3.42Å; R604-I608 VanDerWaalsContact O-CG1 3.28Å; R604-I608 WeakPolarHBondContact O-CG1 3.37Å; R604-I608 PolarHBondContact O-N 3.45Å; K605-I608 PolarHBondContact O-N 2.97Å; I608-M611 PolarHBondContact O-N 2.86Å; I608-A612 WeakPolarHBondContact O-CB 3.24Å; I608-A612 PolarHBondContact O-N 2.86Å; I608-F618 HydrophobicContact CG2-CE1 4.35Å; I608-L634 HydrophobicContact CD1-CD2 4.08Å; I608-L634 HydrophobicContact CD1-CG 4.11Å; I608-L634 HydrophobicContact CG1-CD2 4.09Å; I608-L634 HydrophobicContact CG1-CG 4.25Å; I608-L634 HydrophobicContact CG2-CD2 4.47Å; I608-W635 HydrophobicContact CD1-CE3 3.34Å; I608-W635 HydrophobicContact CD1-CZ3 3.47Å; I608-W635 VanDerWaalsContact CD1-CZ3 3.47Å; I608-A670 HydrophobicContact CD1-CB 4.47Å; I608-A670 HydrophobicContact CG2-CB 4.08Å; I608-L674 HydrophobicContact CB-CD1 4.1Å; I608-L674 HydrophobicContact CG2-CD1 3.83Å
609N80Confident78.9Confident8 Ų862 Ų624%0.04333%0.326CS..Hα-helixtrans-63.2-44.3175.3-172.330.9000111.5K605 I606 M611 A612 M613 L674 V679K605-N609 VanDerWaalsContact O-CB 3.26Å; K605-N609 WeakPolarHBondContact O-CB 3.39Å; K605-N609 PolarHBondContact O-N 3.45Å; I606-N609 PolarHBondContact O-N 3.23Å; N609-M611 VanDerWaalsContact C-N 3.26Å; N609-M611 PolarHBondContact O-N 2.86Å; N609-A612 PolarHBondContact O-N 2.8Å; N609-A612 VanDerWaalsContact O-N 3.11Å; N609-M613 WeakPolarHBondContact O-CG 3.46Å; N609-M613 PolarHBondContact O-N 2.83Å; N609-M613 WeakPolarHBondContact OD1-CG 3.23Å; N609-L674 HydrophobicContact CB-CB 4.15Å; N609-L674 HydrophobicContact CB-CD1 4.25Å; N609-L674 PolarHBondContact OD1-O 2.91Å; N609-L674 VanDerWaalsContact OD1-O 3.11Å; N609-V679 HydrophobicContact CB-CG2 4.07Å; N609-V679 VanDerWaalsContact CG-CG2 3.41Å; N609-V679 WeakPolarHBondContact ND2-CB 3.24Å; N609-V679 VanDerWaalsContact ND2-CG2 3.27Å; N609-V679 WeakPolarHBondContact ND2-CG2 3.46Å
610R79.9Confident78Confident142 Ų14266.1 Ų66.154%0.53634%0.34SS..Hα-helixtrans-58.8-37.4173.5-73.5179.8-174.4177.10.5112.5I606 N607 G615I606-R610 WeakPolarHBondContact O-CG 3.49Å; I606-R610 PolarHBondContact O-N 3Å; N607-R610 PolarHBondContact O-N 3.27Å; R610-G615 PolarHBondContact O-N 3.24Å
611M82.6Confident77.1Confident29 Ų2964.9 Ų64.914%0.14334%0.337CS..Hα-helixtrans-70.6-36.8175-65162.4-171.700112.2N607 I608 N609 Q616 F618N607-M611 HydrophobicContact CB-CE 4.48Å; N607-M611 VanDerWaalsContact O-CG 3.26Å; N607-M611 WeakPolarHBondContact O-CG 3.07Å; N607-M611 PolarHBondContact O-N 3.32Å; N607-M611 VanDerWaalsContact O-N 3.11Å; I608-M611 PolarHBondContact O-N 2.86Å; N609-M611 VanDerWaalsContact C-N 3.26Å; N609-M611 PolarHBondContact O-N 2.86Å; M611-Q616 VanDerWaalsContact CA-O 3.28Å; M611-Q616 WeakPolarHBondContact CA-O 3.11Å; M611-Q616 HydrophobicContact CG-CB 4.33Å; M611-F618 HydrophobicContact CB-CD1 3.82Å; M611-F618 HydrophobicContact CB-CE1 3.47Å; M611-F618 VanDerWaalsContact CB-CE1 3.47Å; M611-F618 HydrophobicContact CB-CE2 4.29Å; M611-F618 HydrophobicContact CB-CG 4.36Å; M611-F618 HydrophobicContact CB-CZ 3.73Å; M611-F618 HydrophobicContact CG-CD1 4.33Å; M611-F618 HydrophobicContact CG-CE1 4.33Å; M611-F618 HydrophobicContact SD-CD1 3.89Å; M611-F618 HydrophobicContact SD-CE1 4.07Å
612A77.4Confident76.4Confident24 Ų2467.1 Ų67.120%0.19835%0.354CS..Hα-helixtrans-75.4-36.6-17800000113.3I608 N609 G614 F618I608-A612 WeakPolarHBondContact O-CB 3.24Å; I608-A612 PolarHBondContact O-N 2.86Å; N609-A612 PolarHBondContact O-N 2.8Å; N609-A612 VanDerWaalsContact O-N 3.11Å; A612-G614 PolarHBondContact O-N 2.05Å; A612-F618 HydrophobicContact CB-CZ 4.35Å
613M73.3Confident75.9Confident86 Ų8669.5 Ų69.542%0.42436%0.363SS..THydrogen-bonded Turntrans-81.914.4-178.2-67-66.2-83.400114N609 N678N609-M613 WeakPolarHBondContact O-CG 3.46Å; N609-M613 PolarHBondContact O-N 2.83Å; N609-M613 WeakPolarHBondContact OD1-CG 3.23Å; M613-N678 WeakPolarHBondContact CE-OD1 3.41Å
614G64.4Low75.3Confident70 Ų7070 Ų7072%0.72237%0.368SS*.THydrogen-bonded Turntrans87.17.6172.200000116.2A612A612-G614 PolarHBondContact O-N 2.05Å
615G64.3Low74.7Confident64 Ų6470.6 Ų70.666%0.6638%0.375SS*.SBendtrans-85.9-23.6-179.100000115.5R610R610-G615 PolarHBondContact O-N 3.24Å
616Q69.2Low74.1Confident118 Ų11874.5 Ų74.555%0.55140%0.396SS*.SBendtrans-151.5140.4-179.3-69.6-174.2-23.900110.9M611M611-Q616 VanDerWaalsContact CA-O 3.28Å; M611-Q616 WeakPolarHBondContact CA-O 3.11Å; M611-Q616 HydrophobicContact CG-CB 4.33Å
617E72.1Confident73.6Confident142 Ų14279.4 Ų79.466%0.66442%0.418SS*.  trans-67.3144.6174-67.3-171.3172.900111.7K620E617-K620 IonicContact OE1-NZ 3.47Å; E617-K620 WeakPolarHBondContact OE2-CE 3.25Å; E617-K620 IonicContact OE2-NZ 2.66Å; E617-K620 PolarHBondContact OE2-NZ 2.94Å
618F76.6Confident73.1Confident31 Ų3182.2 Ų82.214%0.13643%0.431CS..  trans-60.9143.4167.8-72.7-74.4000110.1I608 M611 A612 K620 L634 V654 A671I608-F618 HydrophobicContact CG2-CE1 4.35Å; M611-F618 HydrophobicContact CB-CD1 3.82Å; M611-F618 HydrophobicContact CB-CE1 3.47Å; M611-F618 VanDerWaalsContact CB-CE1 3.47Å; M611-F618 HydrophobicContact CB-CE2 4.29Å; M611-F618 HydrophobicContact CB-CG 4.36Å; M611-F618 HydrophobicContact CB-CZ 3.73Å; M611-F618 HydrophobicContact CG-CD1 4.33Å; M611-F618 HydrophobicContact CG-CE1 4.33Å; M611-F618 HydrophobicContact SD-CD1 3.89Å; M611-F618 HydrophobicContact SD-CE1 4.07Å; A612-F618 HydrophobicContact CB-CZ 4.35Å; F618-K620 PolarHBondContact O-N 2.86Å; F618-L634 HydrophobicContact CD1-CD1 4.41Å; F618-L634 HydrophobicContact CD1-CD2 4.08Å; F618-L634 HydrophobicContact CE1-CD2 3.98Å; F618-V654 HydrophobicContact CD1-CG2 3.95Å; F618-V654 HydrophobicContact CD2-CG2 4.4Å; F618-V654 HydrophobicContact CE1-CG2 4.11Å; F618-V654 HydrophobicContact CG-CG2 4.12Å; F618-V654 HydrophobicContact CZ-CG2 4.41Å; F618-A671 HydrophobicContact CE1-CB 4.19Å; F618-A671 HydrophobicContact CE2-CB 4.3Å; F618-A671 HydrophobicContact CZ-CB 3.58Å
619P74.2Confident72.6Confident74 Ų7485.8 Ų85.848%0.48146%0.456SS..  trans-58.5114-177.823.4-32.9000110.3Q621 L634P619-Q621 PolarHBondContact O-N 3.02Å; P619-L634 HydrophobicContact CG-CD1 4.08Å
620K67.6Low72.4Confident166 Ų16690.1 Ų90.172%0.72247%0.472SS*.PPolyproline II helixtrans-62.2130.6172.3-68.3175.9-176.6158.20108.1E617 F618E617-K620 IonicContact OE1-NZ 3.47Å; E617-K620 WeakPolarHBondContact OE2-CE 3.25Å; E617-K620 IonicContact OE2-NZ 2.66Å; E617-K620 PolarHBondContact OE2-NZ 2.94Å; F618-K620 PolarHBondContact O-N 2.86Å
621Q68.7Low72.3Confident39 Ų3984 Ų8418%0.18245%0.451CS..PPolyproline II helixtrans-70.2139171.7-71.9-168.6-19.600109P619 I626 Y655P619-Q621 PolarHBondContact O-N 3.02Å; Q621-I626 HydrophobicContact CB-CD1 4.17Å; Q621-I626 HydrophobicContact CB-CG1 3.86Å; Q621-Y655 HydrophobicContact CG-CD2 4.47Å; Q621-Y655 HydrophobicContact CG-CE2 4.11Å
622S69.5Low72.3Confident63 Ų6389 Ų8944%0.44147%0.472SS..PPolyproline II helixtrans-60.7142170.4-179.40000108.9L624 D625 I626S622-L624 PolarHBondContact O-N 3.23Å; S622-L624 VanDerWaalsContact O-N 3.13Å; S622-D625 WeakPolarHBondContact O-CB 3.35Å; S622-D625 PolarHBondContact O-N 3.06Å; S622-I626 PolarHBondContact O-N 3.13Å; S622-I626 VanDerWaalsContact O-N 3.16Å
623W72.9Confident72.7Confident175 Ų17588 Ų8866%0.66346%0.463SS*.Hα-helixtrans-51.5-36.4174.2169.183.1000111.8D625 I626 Q627W623-D625 PolarHBondContact O-N 3.41Å; W623-I626 PolarHBondContact O-N 3.13Å; W623-Q627 WeakPolarHBondContact O-CB 3.34Å; W623-Q627 PolarHBondContact O-N 3.13Å
624L74.4Confident73.3Confident105 Ų10584.2 Ų84.255%0.5545%0.445SS..Hα-helixtrans-62-38.2173.9-103.5150.7000113.7S622 M628S622-L624 PolarHBondContact O-N 3.23Å; S622-L624 VanDerWaalsContact O-N 3.13Å; L624-M628 VanDerWaalsContact O-CB 3.3Å; L624-M628 WeakPolarHBondContact O-CB 3.3Å; L624-M628 VanDerWaalsContact O-CG 3.23Å; L624-M628 WeakPolarHBondContact O-CG 3.24Å; L624-M628 PolarHBondContact O-N 2.05Å
625D72.2Confident74.2Confident63 Ų6381.1 Ų81.134%0.33741%0.411SS..Hα-helixtrans-71-35.5178.9-76.5-31.9000111.3S622 W623 S629 R630S622-D625 WeakPolarHBondContact O-CB 3.35Å; S622-D625 PolarHBondContact O-N 3.06Å; W623-D625 PolarHBondContact O-N 3.41Å; D625-S629 PolarHBondContact O-N 2.98Å; D625-R630 HydrophobicContact CB-CB 4.49Å; D625-R630 PolarHBondContact O-N 2.97Å
626I67.4Low75.1Confident98 Ų9878.2 Ų78.250%0.50338%0.381SS..Hα-helixtrans-65.7-50.1174.7-60.2170.3000109.6Q621 S622 W623 M628 S629Q621-I626 HydrophobicContact CB-CD1 4.17Å; Q621-I626 HydrophobicContact CB-CG1 3.86Å; S622-I626 PolarHBondContact O-N 3.13Å; S622-I626 VanDerWaalsContact O-N 3.16Å; W623-I626 PolarHBondContact O-N 3.13Å; I626-M628 VanDerWaalsContact C-N 3.31Å; I626-M628 PolarHBondContact O-N 3.19Å; I626-S629 PolarHBondContact O-N 3.37Å; I626-S629 VanDerWaalsContact O-N 3.15Å
627Q71.9Confident75.7Confident127 Ų12773.7 Ų73.759%0.59337%0.365SS*.Hα-helixtrans-58.6-42.3178.9-163.388-10.900111.8W623 S629W623-Q627 WeakPolarHBondContact O-CB 3.34Å; W623-Q627 PolarHBondContact O-N 3.13Å; Q627-S629 PolarHBondContact O-N 2.97Å
628M74.3Confident76.1Confident102 Ų10270.8 Ų70.850%0.50235%0.35SS..THydrogen-bonded Turntrans-847-177.4-66.3-65.7-71.600113.7L624 I626 R630L624-M628 VanDerWaalsContact O-CB 3.3Å; L624-M628 WeakPolarHBondContact O-CB 3.3Å; L624-M628 VanDerWaalsContact O-CG 3.23Å; L624-M628 WeakPolarHBondContact O-CG 3.24Å; L624-M628 PolarHBondContact O-N 2.05Å; I626-M628 VanDerWaalsContact C-N 3.31Å; I626-M628 PolarHBondContact O-N 3.19Å; M628-R630 HydrophobicContact CB-CB 4.47Å; M628-R630 HydrophobicContact CB-CG 3.94Å; M628-R630 PolarHBondContact O-N 3.21Å; M628-R630 VanDerWaalsContact O-N 3.1Å
629S71.2Confident76.4Confident75 Ų7574.3 Ų74.352%0.52437%0.37SS..THydrogen-bonded Turntrans51.631-173.7-610000113.1D625 I626 Q627 C631D625-S629 PolarHBondContact O-N 2.98Å; I626-S629 PolarHBondContact O-N 3.37Å; I626-S629 VanDerWaalsContact O-N 3.15Å; Q627-S629 PolarHBondContact O-N 2.97Å; S629-C631 PolarHBondContact O-N 3.29Å
630R77.5Confident76.4Confident99 Ų9972.2 Ų72.237%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-96.483.6-179-73.1-175.6-174.3-173.52.8109.4D625 M628 I639 K641D625-R630 HydrophobicContact CB-CB 4.49Å; D625-R630 PolarHBondContact O-N 2.97Å; M628-R630 HydrophobicContact CB-CB 4.47Å; M628-R630 HydrophobicContact CB-CG 3.94Å; M628-R630 PolarHBondContact O-N 3.21Å; M628-R630 VanDerWaalsContact O-N 3.1Å; R630-I639 HydrophobicContact CB-CG2 3.95Å; R630-I639 HydrophobicContact CG-CG2 4.24Å; R630-K641 HydrophobicContact CG-CG 4.39Å
631C75.9Confident76.6Confident14 Ų1472.1 Ų72.110%0.09535%0.353CS..EExtended strand (participates in β ladder)trans-88.6126.3177-73.10000110.9S629 E640 V644 Y655S629-C631 PolarHBondContact O-N 3.29Å; C631-E640 PolarHBondContact N-O 2.91Å; C631-E640 PolarHBondContact O-N 3.01Å; C631-V644 HydrophobicContact CB-CB 4.25Å; C631-V644 HydrophobicContact CB-CG1 3.49Å; C631-V644 VanDerWaalsContact CB-CG1 3.49Å; C631-V644 HydrophobicContact CB-CG2 3.91Å; C631-Y655 HydrophobicContact CB-CD1 4.45Å; C631-Y655 HydrophobicContact CB-CG 4.24Å
632K83.4Confident76.6Confident134 Ų13472.3 Ų72.358%0.58337%0.366SS*.EExtended strand (participates in β ladder)trans-86.3121.4173.4-171176.3-178.3178.10110L634K632-L634 PolarHBondContact O-N 3.21Å
633C86.2Confident76.8Confident2 Ų277 Ų771%0.01438%0.381CS..PPolyproline II helixtrans-61.1122.6175.6175.10000110.7W635 C636 G637 K638 Y655 C657C633-W635 PolarHBondContact O-N 3.23Å; C633-W635 PolarHBondContact SG-N 3.06Å; C633-C636 VanDerWaalsContact SG-SG 3.68Å; C633-G637 VanDerWaalsContact O-CA 3.25Å; C633-G637 WeakPolarHBondContact O-CA 3.42Å; C633-G637 PolarHBondContact O-N 3Å; C633-K638 WeakPolarHBondContact CB-O 3.45Å; C633-K638 PolarHBondContact N-O 3.27Å; C633-Y655 CarbonylContact C-O 3.44Å; C633-Y655 WeakPolarHBondContact CA-O 3.32Å; C633-C657 HydrophobicContact CB-CB 4.06Å; C633-C657 PolarHBondContact SG-N 3.12Å; C633-C657 VanDerWaalsContact SG-SG 3.69Å
634L85.1Confident77.1Confident8 Ų870.5 Ų70.54%0.04236%0.36CS..THydrogen-bonded Turntrans-60.7-25.9176.9-172.570.5000111.4R604 I608 F618 P619 K632 V654 Y655 Y656R604-L634 PolarHBondContact NE-O 2.89Å; R604-L634 PolarHBondContact NH2-O 3.14Å; I608-L634 HydrophobicContact CD1-CD2 4.08Å; I608-L634 HydrophobicContact CD1-CG 4.11Å; I608-L634 HydrophobicContact CG1-CD2 4.09Å; I608-L634 HydrophobicContact CG1-CG 4.25Å; I608-L634 HydrophobicContact CG2-CD2 4.47Å; F618-L634 HydrophobicContact CD1-CD1 4.41Å; F618-L634 HydrophobicContact CD1-CD2 4.08Å; F618-L634 HydrophobicContact CE1-CD2 3.98Å; P619-L634 HydrophobicContact CG-CD1 4.08Å; K632-L634 PolarHBondContact O-N 3.21Å; L634-V654 HydrophobicContact CB-CG1 4.26Å; L634-V654 HydrophobicContact CD2-CB 4.28Å; L634-V654 HydrophobicContact CD2-CG1 3.51Å; L634-V654 HydrophobicContact CD2-CG2 3.98Å; L634-V654 HydrophobicContact CG-CG1 4.5Å; L634-Y655 PolarHBondContact N-O 3.5Å; L634-Y656 HydrophobicContact CB-CE1 4.27Å
635W84.5Confident77.6Confident5 Ų568.9 Ų68.92%0.01935%0.348CS..THydrogen-bonded Turntrans-84.8-63.2179.5-158.5-102000113.4Y600 N601 R604 K605 I608 C633 Y656 C660 M665 A670Y600-W635 WeakPolarHBondContact CE1-O 3.49Å; Y600-W635 PolarHBondContact OH-O 3.28Å; N601-W635 PolarHBondContact OD1-NE1 3.08Å; R604-W635 WeakPolarHBondContact CD-O 3.26Å; R604-W635 HydrophobicContact CG-CD2 4.26Å; R604-W635 HydrophobicContact CG-CE3 4.21Å; R604-W635 WeakPolarHBondContact CG-O 3.03Å; R604-W635 PolarHBondContact NE-O 3.44Å; K605-W635 HydrophobicContact CD-CH2 4.34Å; K605-W635 HydrophobicContact CG-CH2 3.43Å; K605-W635 VanDerWaalsContact CG-CH2 3.43Å; K605-W635 HydrophobicContact CG-CZ2 4.09Å; K605-W635 HydrophobicContact CG-CZ3 4.32Å; I608-W635 HydrophobicContact CD1-CE3 3.34Å; I608-W635 HydrophobicContact CD1-CZ3 3.47Å; I608-W635 VanDerWaalsContact CD1-CZ3 3.47Å; C633-W635 PolarHBondContact O-N 3.23Å; C633-W635 PolarHBondContact SG-N 3.06Å; W635-Y656 HydrophobicContact CB-CD1 4.06Å; W635-Y656 HydrophobicContact CB-CE1 4.21Å; W635-Y656 HydrophobicContact CE3-CE1 4.48Å; W635-C660 HydrophobicContact CB-CB 3.99Å; W635-C660 HydrophobicContact CG-CB 4.39Å; W635-M665 HydrophobicContact CD2-CE 3.54Å; W635-M665 HydrophobicContact CE3-CE 3.32Å; W635-M665 HydrophobicContact CE3-SD 4.26Å; W635-M665 HydrophobicContact CG-CE 4.35Å; W635-M665 HydrophobicContact CH2-CE 3.39Å; W635-M665 HydrophobicContact CZ2-CE 3.64Å; W635-M665 HydrophobicContact CZ3-CE 3.26Å; W635-M665 HydrophobicContact CZ3-SD 4.32Å; W635-A670 HydrophobicContact CE3-CB 4.32Å; W635-A670 HydrophobicContact CZ3-CB 3.73Å
636C83.2Confident78.1Confident3 Ų367.8 Ų67.82%0.0235%0.346CS..THydrogen-bonded Turntrans-99.1-5.5-171.967.20000115Y430 C633 K638 C660Y430-C636 HydrophobicContact CE1-CB 4.45Å; C633-C636 VanDerWaalsContact SG-SG 3.68Å; C636-K638 PolarHBondContact O-N 3.24Å; C636-K638 VanDerWaalsContact SG-CB 3.51Å; C636-C660 VanDerWaalsContact CB-SG 3.6Å
637G80.4Confident78.9Confident22 Ų2264.1 Ų64.123%0.22733%0.328CS..  trans72.27.6-177.800000115.5C633 I639C633-G637 VanDerWaalsContact O-CA 3.25Å; C633-G637 WeakPolarHBondContact O-CA 3.42Å; C633-G637 PolarHBondContact O-N 3Å; G637-I639 PolarHBondContact O-N 3.48Å
638K81.7Confident79.4Confident81 Ų8170 Ų7035%0.35235%0.345SS..  trans-64.8130174.3-171.4-175.9176.2-161.30109.8P429 C633 C636 E640P429-K638 HydrophobicContact CG-CB 3.84Å; P429-K638 HydrophobicContact CG-CG 4.11Å; C633-K638 WeakPolarHBondContact CB-O 3.45Å; C633-K638 PolarHBondContact N-O 3.27Å; C636-K638 PolarHBondContact O-N 3.24Å; C636-K638 VanDerWaalsContact SG-CB 3.51Å; K638-E640 HydrophobicContact CD-CG 3.93Å; K638-E640 WeakPolarHBondContact CE-OE1 3.39Å; K638-E640 HydrophobicContact CG-CG 4.13Å; K638-E640 IonicContact NZ-OE1 3.64Å; K638-E640 PolarHBondContact NZ-OE1 3.39Å
639I81.2Confident79.5Confident106 Ų10672.5 Ų72.554%0.54435%0.354SS..EExtended strand (participates in β ladder)trans-85.2114.2170.4-56.8171000106.5R630 G637R630-I639 HydrophobicContact CB-CG2 3.95Å; R630-I639 HydrophobicContact CG-CG2 4.24Å; G637-I639 PolarHBondContact O-N 3.48Å
640E76.1Confident79.8Confident30 Ų3070.9 Ų70.914%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-105.7129.8173-72.6-169159.600109.3C631 K638 V644 C657C631-E640 PolarHBondContact N-O 2.91Å; C631-E640 PolarHBondContact O-N 3.01Å; K638-E640 HydrophobicContact CD-CG 3.93Å; K638-E640 WeakPolarHBondContact CE-OE1 3.39Å; K638-E640 HydrophobicContact CG-CG 4.13Å; K638-E640 IonicContact NZ-OE1 3.64Å; K638-E640 PolarHBondContact NZ-OE1 3.39Å; E640-V644 HydrophobicContact CB-CG1 4.47Å; E640-C657 HydrophobicContact CG-CB 4.21Å; E640-C657 WeakPolarHBondContact OE1-CB 3.26Å; E640-C657 WeakPolarHBondContact OE2-CA 3.43Å; E640-C657 WeakPolarHBondContact OE2-CB 3.45Å
641K69.9Low79.7Confident164 Ų16468.8 Ų68.871%0.71334%0.341SS*.EExtended strand (participates in β ladder)trans-88.293.7166.7-63.1-177.8-177.8-177.90106.4R630R630-K641 HydrophobicContact CG-CG 4.39Å
642G69.3Low79.6Confident43 Ų4378.7 Ų78.744%0.44338%0.377SS..SBendtrans139-150178.800000115.8V644G642-V644 PolarHBondContact O-N 3.37Å
643Q73.4Confident79.2Confident162 Ų16275.5 Ų75.576%0.75737%0.368SS*.  trans-61.594-169.9-66-172.3300113.3
644V80.2Confident79Confident38 Ų3875.4 Ų75.423%0.2337%0.368CS..  trans-88.3149.4168.3-75.10000111.4C631 E640 G642 Y655C631-V644 HydrophobicContact CB-CB 4.25Å; C631-V644 HydrophobicContact CB-CG1 3.49Å; C631-V644 VanDerWaalsContact CB-CG1 3.49Å; C631-V644 HydrophobicContact CB-CG2 3.91Å; E640-V644 HydrophobicContact CB-CG1 4.47Å; G642-V644 PolarHBondContact O-N 3.37Å; V644-Y655 HydrophobicContact CB-CD1 4.17Å; V644-Y655 HydrophobicContact CG2-CD1 3.51Å; V644-Y655 HydrophobicContact CG2-CE1 4.17Å; V644-Y655 HydrophobicContact CG2-CG 4.34Å
645K84.8Confident79Confident70 Ų7076.9 Ų76.930%0.30437%0.373SS..BIsolated β-bridgetrans-100137.4176.2-59.9-61.3-178-174.10110.2Y656 W661K645-Y656 PolarHBondContact N-O 3.25Å; K645-Y656 PolarHBondContact O-N 2.99Å; K645-W661 HydrophobicContact CB-CB 4.02Å; K645-W661 HydrophobicContact CB-CD2 3.58Å; K645-W661 HydrophobicContact CB-CE3 4Å; K645-W661 HydrophobicContact CB-CG 3.58Å; K645-W661 HydrophobicContact CG-CB 4.11Å; K645-W661 HydrophobicContact CG-CD2 4.25Å; K645-W661 HydrophobicContact CG-CG 3.77Å
646S83.4Confident79.1Confident40 Ų4076.6 Ų76.628%0.2837%0.372SS..  trans-142.8163.6174.4-169.90000110.5H650 A651 V654S646-H650 PolarHBondContact OG-O 2.96Å; S646-A651 VanDerWaalsContact OG-CA 3.3Å; S646-A651 WeakPolarHBondContact OG-CA 3.35Å; S646-V654 WeakPolarHBondContact CB-O 3.26Å; S646-V654 PolarHBondContact OG-O 2.94Å
647C84Confident79.2Confident21 Ų2176.5 Ų76.514%0.14237%0.371CS..  trans-93.4155.8172.468.10000111.5K649 H650 A651 C669C647-K649 PolarHBondContact O-N 2.97Å; C647-H650 CarbonylContact O-C 3.45Å; C647-H650 PolarHBondContact O-N 2.85Å; C647-H650 VanDerWaalsContact SG-CB 3.54Å; C647-H650 PolarHBondContact SG-N 2.94Å; C647-H650 PolarHBondContact SG-ND1 3.01Å; C647-H650 VanDerWaalsContact SG-ND1 3.37Å; C647-A651 WeakPolarHBondContact O-CA 3.15Å; C647-A651 PolarHBondContact O-N 2.89Å; C647-C669 HydrophobicContact CB-CB 3.51Å; C647-C669 WeakPolarHBondContact SG-CB 3.26Å
648R81.3Confident79.4Confident250 Ų25079.9 Ų79.994%0.94338%0.381SS*.G310 helixtrans-54.3-38.9178.1-65.6-176.1-180-179.2-0.7113H650R648-H650 PolarHBondContact O-N 3.44Å
649K77.2Confident79.5Confident156 Ų15677.9 Ų77.968%0.67838%0.376SS*.G310 helixtrans-68.3-27.9179.1-67.7-170176.6-173.50114.3C647C647-K649 PolarHBondContact O-N 2.97Å
650H77.7Confident79.6Confident41 Ų4172.9 Ų72.919%0.1935%0.35CS..G310 helixtrans-128.830.2-173.7-57.6103000112.5S646 C647 R648 R652 T653 V654 C672S646-H650 PolarHBondContact OG-O 2.96Å; C647-H650 CarbonylContact O-C 3.45Å; C647-H650 PolarHBondContact O-N 2.85Å; C647-H650 VanDerWaalsContact SG-CB 3.54Å; C647-H650 PolarHBondContact SG-N 2.94Å; C647-H650 PolarHBondContact SG-ND1 3.01Å; C647-H650 VanDerWaalsContact SG-ND1 3.37Å; R648-H650 PolarHBondContact O-N 3.44Å; H650-R652 PolarHBondContact O-N 3.34Å; H650-T653 PolarHBondContact O-N 3.31Å; H650-T653 VanDerWaalsContact O-N 3.14Å; H650-T653 PolarHBondContact O-OG1 3.2Å; H650-V654 HydrophobicContact CB-CB 3.81Å; H650-V654 HydrophobicContact CB-CG2 3.78Å; H650-V654 PolarHBondContact O-N 3.08Å; H650-C672 PolarHBondContact ND1-SG 3.5Å; H650-C672 VanDerWaalsContact ND1-SG 3.4Å
651A75Confident80.1Confident54 Ų5473.7 Ų73.745%0.44635%0.352SS..THydrogen-bonded Turntrans-56.5-26.1-169.400000114.3S646 C647S646-A651 VanDerWaalsContact OG-CA 3.3Å; S646-A651 WeakPolarHBondContact OG-CA 3.35Å; C647-A651 WeakPolarHBondContact O-CA 3.15Å; C647-A651 PolarHBondContact O-N 2.89Å
652R72.8Confident80.8Confident223 Ų22373.3 Ų73.384%0.84235%0.35SS*.THydrogen-bonded Turntrans-108.8-3.9-175-61.7-175.5-179-175.60.3114.5H650 Y655H650-R652 PolarHBondContact O-N 3.34Å; R652-Y655 PolarHBondContact O-OH 2.99Å
653T75.2Confident81.2Confident66 Ų6675.9 Ų75.941%0.40535%0.351SS..THydrogen-bonded Turntrans-123.8-30.3-172.152.40000112.7H650H650-T653 PolarHBondContact O-N 3.31Å; H650-T653 VanDerWaalsContact O-N 3.14Å; H650-T653 PolarHBondContact O-OG1 3.2Å
654V82.9Confident81.4Confident0 Ų070.3 Ų70.30%032%0.324CS..  trans-122119.4-173.7176.40000110.5F618 L634 S646 H650 Y656 A671F618-V654 HydrophobicContact CD1-CG2 3.95Å; F618-V654 HydrophobicContact CD2-CG2 4.4Å; F618-V654 HydrophobicContact CE1-CG2 4.11Å; F618-V654 HydrophobicContact CG-CG2 4.12Å; F618-V654 HydrophobicContact CZ-CG2 4.41Å; L634-V654 HydrophobicContact CB-CG1 4.26Å; L634-V654 HydrophobicContact CD2-CB 4.28Å; L634-V654 HydrophobicContact CD2-CG1 3.51Å; L634-V654 HydrophobicContact CD2-CG2 3.98Å; L634-V654 HydrophobicContact CG-CG1 4.5Å; S646-V654 WeakPolarHBondContact CB-O 3.26Å; S646-V654 PolarHBondContact OG-O 2.94Å; H650-V654 HydrophobicContact CB-CB 3.81Å; H650-V654 HydrophobicContact CB-CG2 3.78Å; H650-V654 PolarHBondContact O-N 3.08Å; V654-Y656 HydrophobicContact CG1-CD2 4.11Å; V654-Y656 HydrophobicContact CG1-CE1 4.44Å; V654-Y656 HydrophobicContact CG1-CE2 3.3Å; V654-Y656 VanDerWaalsContact CG1-CZ 3.49Å; V654-Y656 WeakPolarHBondContact CG1-OH 3.49Å; V654-A671 HydrophobicContact CG2-CB 4.37Å
655Y85.5Confident81.3Confident39 Ų3969 Ų6915%0.15332%0.316CS..  trans-121.6138.9-179.7-58.1-82.7000111.2Q621 C631 C633 L634 V644 R652Q621-Y655 HydrophobicContact CG-CD2 4.47Å; Q621-Y655 HydrophobicContact CG-CE2 4.11Å; C631-Y655 HydrophobicContact CB-CD1 4.45Å; C631-Y655 HydrophobicContact CB-CG 4.24Å; C633-Y655 CarbonylContact C-O 3.44Å; C633-Y655 WeakPolarHBondContact CA-O 3.32Å; L634-Y655 PolarHBondContact N-O 3.5Å; V644-Y655 HydrophobicContact CB-CD1 4.17Å; V644-Y655 HydrophobicContact CG2-CD1 3.51Å; V644-Y655 HydrophobicContact CG2-CE1 4.17Å; V644-Y655 HydrophobicContact CG2-CG 4.34Å; R652-Y655 PolarHBondContact O-OH 2.99Å
656Y85.8Confident81Confident0 Ų072 Ų720%034%0.335CS..BIsolated β-bridgetrans-123142.7175.2-60.6-81.1000111L634 W635 K645 V654 W661 M665 C669 A670L634-Y656 HydrophobicContact CB-CE1 4.27Å; W635-Y656 HydrophobicContact CB-CD1 4.06Å; W635-Y656 HydrophobicContact CB-CE1 4.21Å; W635-Y656 HydrophobicContact CE3-CE1 4.48Å; K645-Y656 PolarHBondContact N-O 3.25Å; K645-Y656 PolarHBondContact O-N 2.99Å; V654-Y656 HydrophobicContact CG1-CD2 4.11Å; V654-Y656 HydrophobicContact CG1-CE1 4.44Å; V654-Y656 HydrophobicContact CG1-CE2 3.3Å; V654-Y656 VanDerWaalsContact CG1-CZ 3.49Å; V654-Y656 WeakPolarHBondContact CG1-OH 3.49Å; Y656-W661 AromaticContact CD2-CE3 3.54Å; Y656-W661 HydrophobicContact CD2-CE3 3.54Å; Y656-W661 AromaticContact CD2-CZ3 3.62Å; Y656-W661 HydrophobicContact CD2-CZ3 3.62Å; Y656-W661 HydrophobicContact CE2-CE3 4.26Å; Y656-W661 AromaticContact CE2-CZ3 3.97Å; Y656-W661 HydrophobicContact CE2-CZ3 3.97Å; Y656-W661 AromaticContact CG-CE3 3.94Å; Y656-W661 HydrophobicContact CG-CE3 3.94Å; Y656-W661 HydrophobicContact CG-CZ3 4.45Å; Y656-M665 HydrophobicContact CD1-CG 4.15Å; Y656-M665 HydrophobicContact CD1-SD 4.42Å; Y656-M665 HydrophobicContact CE1-CG 4.15Å; Y656-M665 HydrophobicContact CE1-SD 3.83Å; Y656-C669 HydrophobicContact CE2-CB 4.31Å; Y656-A670 WeakPolarHBondContact OH-CB 3.03Å; Y656-A670 PolarHBondContact OH-N 3.05Å
657C86.2Confident80.8Confident0 Ų071.9 Ų71.90%034%0.34CS..  trans-71.9155.8167.264.60000110.3C633 E640 T659 C660 W661C633-C657 HydrophobicContact CB-CB 4.06Å; C633-C657 PolarHBondContact SG-N 3.12Å; C633-C657 VanDerWaalsContact SG-SG 3.69Å; E640-C657 HydrophobicContact CG-CB 4.21Å; E640-C657 WeakPolarHBondContact OE1-CB 3.26Å; E640-C657 WeakPolarHBondContact OE2-CA 3.43Å; E640-C657 WeakPolarHBondContact OE2-CB 3.45Å; C657-T659 PolarHBondContact O-N 3.43Å; C657-T659 VanDerWaalsContact O-N 3.13Å; C657-T659 PolarHBondContact SG-OG1 3.01Å; C657-C660 PolarHBondContact O-N 3.25Å; C657-C660 VanDerWaalsContact SG-CB 3.57Å; C657-C660 PolarHBondContact SG-N 3.35Å; C657-C660 VanDerWaalsContact SG-N 3.45Å; C657-C660 PolarHBondContact SG-SG 3.08Å; C657-W661 WeakPolarHBondContact O-CB 3.33Å; C657-W661 PolarHBondContact O-N 3.31Å
658Q84.4Confident80.7Confident94 Ų9477.5 Ų77.544%0.43936%0.362SS..Hα-helixtrans-54.7-37.7-176.7-175.764.35.100113.1K662Q658-K662 PolarHBondContact O-N 3Å
659T82.7Confident80.8Confident39 Ų3965.8 Ų65.824%0.23932%0.319CS..Hα-helixtrans-69.4-50.4179.9490000112P426 R428 C657 W661 K662 E663P426-T659 HydrophobicContact CG-CG2 4.31Å; R428-T659 PolarHBondContact NH1-OG1 3.02Å; C657-T659 PolarHBondContact O-N 3.43Å; C657-T659 VanDerWaalsContact O-N 3.13Å; C657-T659 PolarHBondContact SG-OG1 3.01Å; T659-W661 VanDerWaalsContact C-N 3.29Å; T659-W661 PolarHBondContact O-N 2.86Å; T659-K662 PolarHBondContact O-N 3.46Å; T659-E663 VanDerWaalsContact O-CB 3.29Å; T659-E663 WeakPolarHBondContact O-CB 3.47Å; T659-E663 WeakPolarHBondContact O-CG 3.42Å; T659-E663 PolarHBondContact O-N 3.35Å
660C84.9Confident80.9Confident0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-64.9-35177.2-68.40000112.1W635 C636 C657 K662 E664 M665W635-C660 HydrophobicContact CB-CB 3.99Å; W635-C660 HydrophobicContact CG-CB 4.39Å; C636-C660 VanDerWaalsContact CB-SG 3.6Å; C657-C660 PolarHBondContact O-N 3.25Å; C657-C660 VanDerWaalsContact SG-CB 3.57Å; C657-C660 PolarHBondContact SG-N 3.35Å; C657-C660 VanDerWaalsContact SG-N 3.45Å; C657-C660 PolarHBondContact SG-SG 3.08Å; C660-K662 VanDerWaalsContact C-N 3.31Å; C660-K662 PolarHBondContact O-N 3.47Å; C660-E664 WeakPolarHBondContact O-CB 3.21Å; C660-E664 PolarHBondContact O-N 2.95Å; C660-E664 VanDerWaalsContact O-N 3.07Å; C660-M665 WeakPolarHBondContact O-CG 3.2Å; C660-M665 PolarHBondContact O-N 2.64Å; C660-M665 VanDerWaalsContact O-N 3.07Å
661W85.1Confident80.8Confident47 Ų4756.6 Ų56.618%0.17828%0.279CS..Hα-helixtrans-61.9-39.3177.1-174.8-103.7000112.6K645 Y656 C657 T659 M665 N666 G667 C669K645-W661 HydrophobicContact CB-CB 4.02Å; K645-W661 HydrophobicContact CB-CD2 3.58Å; K645-W661 HydrophobicContact CB-CE3 4Å; K645-W661 HydrophobicContact CB-CG 3.58Å; K645-W661 HydrophobicContact CG-CB 4.11Å; K645-W661 HydrophobicContact CG-CD2 4.25Å; K645-W661 HydrophobicContact CG-CG 3.77Å; Y656-W661 AromaticContact CD2-CE3 3.54Å; Y656-W661 HydrophobicContact CD2-CE3 3.54Å; Y656-W661 AromaticContact CD2-CZ3 3.62Å; Y656-W661 HydrophobicContact CD2-CZ3 3.62Å; Y656-W661 HydrophobicContact CE2-CE3 4.26Å; Y656-W661 AromaticContact CE2-CZ3 3.97Å; Y656-W661 HydrophobicContact CE2-CZ3 3.97Å; Y656-W661 AromaticContact CG-CE3 3.94Å; Y656-W661 HydrophobicContact CG-CE3 3.94Å; Y656-W661 HydrophobicContact CG-CZ3 4.45Å; C657-W661 WeakPolarHBondContact O-CB 3.33Å; C657-W661 PolarHBondContact O-N 3.31Å; T659-W661 VanDerWaalsContact C-N 3.29Å; T659-W661 PolarHBondContact O-N 2.86Å; W661-M665 HydrophobicContact CE3-CB 4.38Å; W661-M665 HydrophobicContact CE3-CG 4.48Å; W661-M665 WeakPolarHBondContact O-CB 3.28Å; W661-N666 PolarHBondContact O-N 3.23Å; W661-G667 WeakPolarHBondContact CH2-O 3.19Å; W661-G667 WeakPolarHBondContact CZ2-O 3.28Å; W661-G667 PolarHBondContact O-N 2.87Å; W661-C669 HydrophobicContact CZ3-CB 4.36Å
662K84.2Confident81Confident157 Ų15755.1 Ų55.168%0.68327%0.265SS*.Hα-helixtrans-82.3-47.1179.8-170.8177.4179.8-179.70112.7Q658 T659 C660 N666Q658-K662 PolarHBondContact O-N 3Å; T659-K662 PolarHBondContact O-N 3.46Å; C660-K662 VanDerWaalsContact C-N 3.31Å; C660-K662 PolarHBondContact O-N 3.47Å; K662-N666 PolarHBondContact O-OD1 2.69Å
663E79.4Confident81.2Confident97 Ų9746.4 Ų46.445%0.45324%0.235SC..Hα-helixtrans-85.6-41.7-168.5-65.7168.317500113.4R428 T659R428-E663 IonicContact CZ-OE2 2.71Å; R428-E663 IonicContact NH2-OE2 3.02Å; R428-E663 PolarHBondContact NH2-OE2 2.62Å; T659-E663 VanDerWaalsContact O-CB 3.29Å; T659-E663 WeakPolarHBondContact O-CB 3.47Å; T659-E663 WeakPolarHBondContact O-CG 3.42Å; T659-E663 PolarHBondContact O-N 3.35Å
664E77.5Confident81Confident44 Ų4443.6 Ų43.621%0.20622%0.217CC..THydrogen-bonded Turntrans-100.5-35.1-171.6-61.2-77.9176.400111.5N601 C660N601-E664 PolarHBondContact ND2-OE1 3.11Å; N601-E664 PolarHBondContact ND2-OE2 2.93Å; N601-E664 VanDerWaalsContact ND2-OE2 3.07Å; C660-E664 WeakPolarHBondContact O-CB 3.21Å; C660-E664 PolarHBondContact O-N 2.95Å; C660-E664 VanDerWaalsContact O-N 3.07Å
665M76.5Confident80.3Confident10 Ų1045.7 Ų45.75%0.04923%0.232CC..SBendtrans-96-16.6-172.4-65.9-62.3101.500113.6W635 Y656 C660 W661 G667 K668 A670W635-M665 HydrophobicContact CD2-CE 3.54Å; W635-M665 HydrophobicContact CE3-CE 3.32Å; W635-M665 HydrophobicContact CE3-SD 4.26Å; W635-M665 HydrophobicContact CG-CE 4.35Å; W635-M665 HydrophobicContact CH2-CE 3.39Å; W635-M665 HydrophobicContact CZ2-CE 3.64Å; W635-M665 HydrophobicContact CZ3-CE 3.26Å; W635-M665 HydrophobicContact CZ3-SD 4.32Å; Y656-M665 HydrophobicContact CD1-CG 4.15Å; Y656-M665 HydrophobicContact CD1-SD 4.42Å; Y656-M665 HydrophobicContact CE1-CG 4.15Å; Y656-M665 HydrophobicContact CE1-SD 3.83Å; C660-M665 WeakPolarHBondContact O-CG 3.2Å; C660-M665 PolarHBondContact O-N 2.64Å; C660-M665 VanDerWaalsContact O-N 3.07Å; W661-M665 HydrophobicContact CE3-CB 4.38Å; W661-M665 HydrophobicContact CE3-CG 4.48Å; W661-M665 WeakPolarHBondContact O-CB 3.28Å; M665-G667 PolarHBondContact O-N 2.82Å; M665-G667 VanDerWaalsContact O-N 3.11Å; M665-K668 VanDerWaalsContact CB-O 3.31Å; M665-K668 WeakPolarHBondContact CB-O 3.19Å; M665-K668 PolarHBondContact O-N 2.98Å; M665-A670 HydrophobicContact CE-CB 3.99Å; M665-A670 HydrophobicContact SD-CB 3.47Å; M665-A670 WeakPolarHBondContact SD-CB 3.26Å
666N79.5Confident79.1Confident134 Ų13450.9 Ų50.972%0.71726%0.256SS*.THydrogen-bonded Turntrans46.139-171.5-71.1-20.7000113.1W661 K662 K668W661-N666 PolarHBondContact O-N 3.23Å; K662-N666 PolarHBondContact O-OD1 2.69Å; N666-K668 VanDerWaalsContact C-N 3.29Å; N666-K668 PolarHBondContact O-N 2.91Å
667G78.7Confident78Confident37 Ų3753.5 Ų53.538%0.38127%0.268SS..THydrogen-bonded Turntrans765.8-179.400000116.1W661 M665W661-G667 WeakPolarHBondContact CH2-O 3.19Å; W661-G667 WeakPolarHBondContact CZ2-O 3.28Å; W661-G667 PolarHBondContact O-N 2.87Å; M665-G667 PolarHBondContact O-N 2.82Å; M665-G667 VanDerWaalsContact O-N 3.11Å
668K81.4Confident76.9Confident140 Ų14057.8 Ų57.861%0.60929%0.291SS*.SBendtrans-112.6133.1178.7-65.7-179.5-176.9-178.20110.4M665 N666 A670 I673M665-K668 VanDerWaalsContact CB-O 3.31Å; M665-K668 WeakPolarHBondContact CB-O 3.19Å; M665-K668 PolarHBondContact O-N 2.98Å; N666-K668 VanDerWaalsContact C-N 3.29Å; N666-K668 PolarHBondContact O-N 2.91Å; K668-A670 PolarHBondContact O-N 2.79Å; K668-I673 HydrophobicContact CB-CD1 3.62Å; K668-I673 HydrophobicContact CB-CG1 4.01Å
669C83.9Confident76Confident4 Ų453.4 Ų53.43%0.02727%0.27CS..  trans-68126.5179.7174.60000111.3C647 Y656 W661 A671 C672 I673C647-C669 HydrophobicContact CB-CB 3.51Å; C647-C669 WeakPolarHBondContact SG-CB 3.26Å; Y656-C669 HydrophobicContact CE2-CB 4.31Å; W661-C669 HydrophobicContact CZ3-CB 4.36Å; C669-A671 PolarHBondContact O-N 2.87Å; C669-A671 PolarHBondContact SG-N 3.29Å; C669-C672 HydrophobicContact CB-CB 4.19Å; C669-C672 WeakPolarHBondContact O-CA 2.86Å; C669-C672 WeakPolarHBondContact O-CB 3.36Å; C669-C672 PolarHBondContact O-N 2.65Å; C669-I673 WeakPolarHBondContact O-CG1 3.29Å; C669-I673 PolarHBondContact O-N 3.39Å
670A79.3Confident75.2Confident4 Ų454.1 Ų54.13%0.03327%0.272CS..Hα-helixtrans-57.9-36.317800000112.6I608 W635 Y656 M665 K668 C672 I673 L674I608-A670 HydrophobicContact CD1-CB 4.47Å; I608-A670 HydrophobicContact CG2-CB 4.08Å; W635-A670 HydrophobicContact CE3-CB 4.32Å; W635-A670 HydrophobicContact CZ3-CB 3.73Å; Y656-A670 WeakPolarHBondContact OH-CB 3.03Å; Y656-A670 PolarHBondContact OH-N 3.05Å; M665-A670 HydrophobicContact CE-CB 3.99Å; M665-A670 HydrophobicContact SD-CB 3.47Å; M665-A670 WeakPolarHBondContact SD-CB 3.26Å; K668-A670 PolarHBondContact O-N 2.79Å; A670-C672 VanDerWaalsContact C-N 3.28Å; A670-C672 PolarHBondContact O-N 2.86Å; A670-I673 PolarHBondContact O-N 3.38Å; A670-L674 HydrophobicContact CB-CD1 4.12Å; A670-L674 WeakPolarHBondContact O-CB 3.38Å; A670-L674 WeakPolarHBondContact O-CD1 3.43Å; A670-L674 WeakPolarHBondContact O-CG 3.4Å; A670-L674 PolarHBondContact O-N 3.43Å
671A76.9Confident74.3Confident0 Ų056.2 Ų56.20%028%0.284CS..Hα-helixtrans-61.2-39.6175.600000111.5F618 V654 C669 S675F618-A671 HydrophobicContact CE1-CB 4.19Å; F618-A671 HydrophobicContact CE2-CB 4.3Å; F618-A671 HydrophobicContact CZ-CB 3.58Å; V654-A671 HydrophobicContact CG2-CB 4.37Å; C669-A671 PolarHBondContact O-N 2.87Å; C669-A671 PolarHBondContact SG-N 3.29Å; A671-S675 WeakPolarHBondContact O-CB 3.3Å; A671-S675 PolarHBondContact O-N 2.87Å; A671-S675 VanDerWaalsContact O-N 3.1Å; A671-S675 PolarHBondContact O-OG 3.24Å
672C78.7Confident73.3Confident23 Ų2358.5 Ų58.516%0.15532%0.321CS..Hα-helixtrans-73.1-30175.9-62.60000113.4H650 C669 A670 S675 F676H650-C672 PolarHBondContact ND1-SG 3.5Å; H650-C672 VanDerWaalsContact ND1-SG 3.4Å; C669-C672 HydrophobicContact CB-CB 4.19Å; C669-C672 WeakPolarHBondContact O-CA 2.86Å; C669-C672 WeakPolarHBondContact O-CB 3.36Å; C669-C672 PolarHBondContact O-N 2.65Å; A670-C672 VanDerWaalsContact C-N 3.28Å; A670-C672 PolarHBondContact O-N 2.86Å; C672-S675 PolarHBondContact O-OG 3.27Å; C672-F676 WeakPolarHBondContact O-CD2 3.46Å; C672-F676 WeakPolarHBondContact O-CE2 3.3Å
673I76Confident72.5Confident39 Ų3957.4 Ų57.420%0.232%0.319CS..Hα-helixtrans-74.4-45179-64.8168.9000109.7K668 C669 A670 S675 Y690 M693K668-I673 HydrophobicContact CB-CD1 3.62Å; K668-I673 HydrophobicContact CB-CG1 4.01Å; C669-I673 WeakPolarHBondContact O-CG1 3.29Å; C669-I673 PolarHBondContact O-N 3.39Å; A670-I673 PolarHBondContact O-N 3.38Å; I673-S675 VanDerWaalsContact C-N 3.34Å; I673-Y690 HydrophobicContact CG2-CE1 4.44Å; I673-M693 HydrophobicContact CG2-CE 3.62Å; I673-M693 HydrophobicContact CG2-SD 3.93Å
674L71.9Confident71.6Confident7 Ų754.9 Ų54.94%0.03732%0.319CS..Hα-helixtrans-82.6-13.8-172.6-54.5166.1000111.9I608 N609 A670 F676 V679I608-L674 HydrophobicContact CB-CD1 4.1Å; I608-L674 HydrophobicContact CG2-CD1 3.83Å; N609-L674 HydrophobicContact CB-CB 4.15Å; N609-L674 HydrophobicContact CB-CD1 4.25Å; N609-L674 PolarHBondContact OD1-O 2.91Å; N609-L674 VanDerWaalsContact OD1-O 3.11Å; A670-L674 HydrophobicContact CB-CD1 4.12Å; A670-L674 WeakPolarHBondContact O-CB 3.38Å; A670-L674 WeakPolarHBondContact O-CD1 3.43Å; A670-L674 WeakPolarHBondContact O-CG 3.4Å; A670-L674 PolarHBondContact O-N 3.43Å; L674-F676 VanDerWaalsContact C-N 3.27Å; L674-F676 PolarHBondContact O-N 3.06Å; L674-V679 HydrophobicContact CB-CG2 4.19Å; L674-V679 HydrophobicContact CD2-CG1 4.33Å; L674-V679 HydrophobicContact CD2-CG2 3.35Å; L674-V679 HydrophobicContact CG-CG2 4.3Å
675S67Low70.9Confident44 Ų4459.8 Ų59.831%0.30834%0.335SS..THydrogen-bonded Turntrans-70.8-17.4176.359.30000114.6A671 C672 I673A671-S675 WeakPolarHBondContact O-CB 3.3Å; A671-S675 PolarHBondContact O-N 2.87Å; A671-S675 VanDerWaalsContact O-N 3.1Å; A671-S675 PolarHBondContact O-OG 3.24Å; C672-S675 PolarHBondContact O-OG 3.27Å; I673-S675 VanDerWaalsContact C-N 3.34Å
676F61.6Low70.3Confident149 Ų14960.2 Ų60.265%0.65434%0.338SS*.THydrogen-bonded Turntrans-95.4-8-175.4-66.6-70.3000113.5C672 L674C672-F676 WeakPolarHBondContact O-CD2 3.46Å; C672-F676 WeakPolarHBondContact O-CE2 3.3Å; L674-F676 VanDerWaalsContact C-N 3.27Å; L674-F676 PolarHBondContact O-N 3.06Å
677E61.8Low69.9Low54 Ų5456.1 Ų56.125%0.25231%0.314SS..SBendtrans-158.1139.5-177.7-144.4176.716100113V679 K687 Y690E677-V679 PolarHBondContact O-N 3.39Å; E677-K687 IonicContact OE1-NZ 2.88Å; E677-K687 PolarHBondContact OE1-NZ 2.77Å; E677-Y690 HydrophobicContact CB-CE2 4.07Å; E677-Y690 WeakPolarHBondContact CB-OH 3.33Å; E677-Y690 HydrophobicContact CG-CE2 4.33Å; E677-Y690 VanDerWaalsContact OE2-CE2 3.29Å; E677-Y690 WeakPolarHBondContact OE2-CE2 3.45Å; E677-Y690 VanDerWaalsContact OE2-CZ 3.27Å; E677-Y690 PolarHBondContact OE2-OH 3.44Å
678N64.1Low69.3Low91 Ų9158.6 Ų58.649%0.48732%0.323SS..  trans-61.3106.9163.8-87.5-30000108.8M613 L680 K687M613-N678 WeakPolarHBondContact CE-OD1 3.41Å; N678-L680 PolarHBondContact O-N 3.07Å; N678-L680 VanDerWaalsContact O-N 3.15Å; N678-K687 WeakPolarHBondContact O-CD 3.41Å; N678-K687 WeakPolarHBondContact O-CE 3.42Å; N678-K687 PolarHBondContact O-NZ 3.45Å
679V64.9Low68.4Low2 Ų256.6 Ų56.61%0.01232%0.316CS..SBendtrans-65.8-13.3177.4-169.20000111.5N609 L674 E677 L686 K687 Y690N609-V679 HydrophobicContact CB-CG2 4.07Å; N609-V679 VanDerWaalsContact CG-CG2 3.41Å; N609-V679 WeakPolarHBondContact ND2-CB 3.24Å; N609-V679 VanDerWaalsContact ND2-CG2 3.27Å; N609-V679 WeakPolarHBondContact ND2-CG2 3.46Å; L674-V679 HydrophobicContact CB-CG2 4.19Å; L674-V679 HydrophobicContact CD2-CG1 4.33Å; L674-V679 HydrophobicContact CD2-CG2 3.35Å; L674-V679 HydrophobicContact CG-CG2 4.3Å; E677-V679 PolarHBondContact O-N 3.39Å; V679-L686 HydrophobicContact CG1-CD1 3.75Å; V679-L686 HydrophobicContact CG1-CD2 4.43Å; V679-L686 HydrophobicContact CG1-CG 3.83Å; V679-L686 CarbonylContact O-C 3.42Å; V679-L686 WeakPolarHBondContact O-CA 3.31Å; V679-K687 PolarHBondContact O-N 2.96Å; V679-Y690 HydrophobicContact CG1-CD1 4.4Å; V679-Y690 HydrophobicContact CG1-CD2 4.17Å; V679-Y690 HydrophobicContact CG1-CG 3.84Å
680L65.5Low67.3Low53 Ų5357.5 Ų57.528%0.27732%0.319SS..BIsolated β-bridgetrans-99.9134.3176.6-58.3175.9000109.6N678 R685 L686N678-L680 PolarHBondContact O-N 3.07Å; N678-L680 VanDerWaalsContact O-N 3.15Å; L680-R685 CarbonylContact C-O 3.55Å; L680-R685 WeakPolarHBondContact CA-O 3.48Å; L680-L686 HydrophobicContact CD2-CD1 4.41Å
681D66.5Low66.4Low45 Ų4563.4 Ų63.424%0.24134%0.34CS..  trans-71.7174.3164.854.429.3000110.6E683 G684 R685 K687D681-E683 PolarHBondContact O-N 3.11Å; D681-E683 PolarHBondContact OD1-N 3.49Å; D681-G684 PolarHBondContact O-N 2.91Å; D681-G684 PolarHBondContact OD1-N 2.92Å; D681-R685 VanDerWaalsContact CG-O 3.28Å; D681-R685 PolarHBondContact N-O 3.42Å; D681-R685 WeakPolarHBondContact OD1-CA 3.36Å; D681-R685 WeakPolarHBondContact OD1-CB 3.31Å; D681-R685 PolarHBondContact OD1-N 3.35Å; D681-R685 WeakPolarHBondContact OD2-CB 3.21Å; D681-K687 HydrophobicContact CB-CG 4.24Å
682G63.3Low65.4Low94 Ų9469.2 Ų69.297%0.96937%0.367SS*.THydrogen-bonded Turntrans-58.5-12.8178.100000114.3
683E67.4Low64Low135 Ų13571.2 Ų71.263%0.63138%0.375SS*.THydrogen-bonded Turntrans-99.14.4176.9-56.8179.6167.500113D681 R685D681-E683 PolarHBondContact O-N 3.11Å; D681-E683 PolarHBondContact OD1-N 3.49Å; E683-R685 VanDerWaalsContact C-N 3.29Å; E683-R685 HydrophobicContact CB-CG 4.3Å; E683-R685 PolarHBondContact O-N 3.44Å; E683-R685 WeakPolarHBondContact OE2-CD 3.45Å; E683-R685 IonicContact OE2-CZ 3.38Å; E683-R685 IonicContact OE2-NE 2.68Å; E683-R685 PolarHBondContact OE2-NE 3.46Å; E683-R685 IonicContact OE2-NH1 2.72Å; E683-R685 PolarHBondContact OE2-NH1 2.91Å; E683-R685 IonicContact OE2-NH2 3.52Å
684G61.9Low62.5Low44 Ų4471.3 Ų71.345%0.45439%0.386SS..SBendtrans7316.5-178.400000114.5D681D681-G684 PolarHBondContact O-N 2.91Å; D681-G684 PolarHBondContact OD1-N 2.92Å
685R62.3Low60.9Low146 Ų14676.4 Ų76.455%0.55141%0.413SS*.SBendtrans-97.1155.7175.5-52.6168.8172169.7-3.5110.2L680 D681 E683 K687L680-R685 CarbonylContact C-O 3.55Å; L680-R685 WeakPolarHBondContact CA-O 3.48Å; D681-R685 VanDerWaalsContact CG-O 3.28Å; D681-R685 PolarHBondContact N-O 3.42Å; D681-R685 WeakPolarHBondContact OD1-CA 3.36Å; D681-R685 WeakPolarHBondContact OD1-CB 3.31Å; D681-R685 PolarHBondContact OD1-N 3.35Å; D681-R685 WeakPolarHBondContact OD2-CB 3.21Å; E683-R685 VanDerWaalsContact C-N 3.29Å; E683-R685 HydrophobicContact CB-CG 4.3Å; E683-R685 PolarHBondContact O-N 3.44Å; E683-R685 WeakPolarHBondContact OE2-CD 3.45Å; E683-R685 IonicContact OE2-CZ 3.38Å; E683-R685 IonicContact OE2-NE 2.68Å; E683-R685 PolarHBondContact OE2-NE 3.46Å; E683-R685 IonicContact OE2-NH1 2.72Å; E683-R685 PolarHBondContact OE2-NH1 2.91Å; E683-R685 IonicContact OE2-NH2 3.52Å; R685-K687 PolarHBondContact O-N 3.05Å
686L63.9Low59.6Low20 Ų2077.3 Ų77.311%0.10542%0.417CS..BIsolated β-bridgetrans-68.8119.4-179.6-138.487.6000109.7V679 L680 R691V679-L686 HydrophobicContact CG1-CD1 3.75Å; V679-L686 HydrophobicContact CG1-CD2 4.43Å; V679-L686 HydrophobicContact CG1-CG 3.83Å; V679-L686 CarbonylContact O-C 3.42Å; V679-L686 WeakPolarHBondContact O-CA 3.31Å; L680-L686 HydrophobicContact CD2-CD1 4.41Å; L686-R691 PolarHBondContact O-NE 3.01Å; L686-R691 VanDerWaalsContact O-NE 3.11Å; L686-R691 PolarHBondContact O-NH2 3.09Å
687K70.1Confident58.3Low48 Ų4879.8 Ų79.821%0.20943%0.427CS..PPolyproline II helixtrans-50.6139.6177.1-80.4-168.9179.4-177.90110.6E677 N678 V679 D681 R685 E689 Y690 R691E677-K687 IonicContact OE1-NZ 2.88Å; E677-K687 PolarHBondContact OE1-NZ 2.77Å; N678-K687 WeakPolarHBondContact O-CD 3.41Å; N678-K687 WeakPolarHBondContact O-CE 3.42Å; N678-K687 PolarHBondContact O-NZ 3.45Å; V679-K687 PolarHBondContact O-N 2.96Å; D681-K687 HydrophobicContact CB-CG 4.24Å; R685-K687 PolarHBondContact O-N 3.05Å; K687-E689 HydrophobicContact CB-CG 4.14Å; K687-E689 WeakPolarHBondContact CD-OE1 2.78Å; K687-E689 PolarHBondContact O-N 2.96Å; K687-Y690 HydrophobicContact CB-CD2 3.9Å; K687-Y690 PolarHBondContact O-N 3.43Å; K687-R691 PolarHBondContact O-N 2.92Å
688P67.2Low57Low88 Ų8886.6 Ų86.657%0.57146%0.456SS*.Hα-helixtrans-56.4-37.6-171.810.4-18000112.9Y690 R691P688-Y690 PolarHBondContact O-N 3.33Å; P688-R691 WeakPolarHBondContact O-CB 3.44Å; P688-R691 PolarHBondContact O-N 3.15Å; P688-R691 VanDerWaalsContact O-N 3.13Å
689E61.8Low55.7Low98 Ų9886.2 Ų86.246%0.45846%0.458SS..Hα-helixtrans-64.3-15.6175.762.3-157.313500114.5K687 H692K687-E689 HydrophobicContact CB-CG 4.14Å; K687-E689 WeakPolarHBondContact CD-OE1 2.78Å; K687-E689 PolarHBondContact O-N 2.96Å; E689-H692 PolarHBondContact O-CE1 3.43Å; E689-H692 PolarHBondContact O-ND1 3.31Å
690Y61.1Low54.5Low24 Ų2495.5 Ų95.59%0.09450%0.499CS..Hα-helixtrans-103.8-4174.2-66.8-79.2000113.6I673 E677 V679 K687 P688 H692 M693I673-Y690 HydrophobicContact CG2-CE1 4.44Å; E677-Y690 HydrophobicContact CB-CE2 4.07Å; E677-Y690 WeakPolarHBondContact CB-OH 3.33Å; E677-Y690 HydrophobicContact CG-CE2 4.33Å; E677-Y690 VanDerWaalsContact OE2-CE2 3.29Å; E677-Y690 WeakPolarHBondContact OE2-CE2 3.45Å; E677-Y690 VanDerWaalsContact OE2-CZ 3.27Å; E677-Y690 PolarHBondContact OE2-OH 3.44Å; V679-Y690 HydrophobicContact CG1-CD1 4.4Å; V679-Y690 HydrophobicContact CG1-CD2 4.17Å; V679-Y690 HydrophobicContact CG1-CG 3.84Å; K687-Y690 HydrophobicContact CB-CD2 3.9Å; K687-Y690 PolarHBondContact O-N 3.43Å; P688-Y690 PolarHBondContact O-N 3.33Å; Y690-H692 VanDerWaalsContact C-N 3.29Å; Y690-H692 PolarHBondContact O-N 3.24Å; Y690-M693 HydrophobicContact CD1-CE 4.01Å; Y690-M693 HydrophobicContact CD1-SD 4.34Å; Y690-M693 HydrophobicContact CE1-CE 4.21Å; Y690-M693 PolarHBondContact O-N 2.74Å
691R60.5Low53.1Low127 Ų127101.9 Ų101.948%0.47953%0.527SS..Hα-helixtrans-67.4-30.1178.1-65.5-179.2-170167.41.8112.1L686 K687 P688 M693 G694 N695L686-R691 PolarHBondContact O-NE 3.01Å; L686-R691 VanDerWaalsContact O-NE 3.11Å; L686-R691 PolarHBondContact O-NH2 3.09Å; K687-R691 PolarHBondContact O-N 2.92Å; P688-R691 WeakPolarHBondContact O-CB 3.44Å; P688-R691 PolarHBondContact O-N 3.15Å; P688-R691 VanDerWaalsContact O-N 3.13Å; R691-M693 VanDerWaalsContact C-N 3.31Å; R691-M693 PolarHBondContact O-N 3.44Å; R691-G694 PolarHBondContact O-N 3Å; R691-N695 PolarHBondContact O-N 3.17Å
692H55Low51.7Low123 Ų123105.1 Ų105.157%0.56955%0.548SS*.G310 helixtrans-68.4-27.4-178.372-92.7000113.2E689 Y690 G694 N695E689-H692 PolarHBondContact O-CE1 3.43Å; E689-H692 PolarHBondContact O-ND1 3.31Å; Y690-H692 VanDerWaalsContact C-N 3.29Å; Y690-H692 PolarHBondContact O-N 3.24Å; H692-G694 PolarHBondContact O-N 3.38Å; H692-N695 PolarHBondContact O-N 3.1Å
693M50.6Low50.4Low65 Ų65109.7 Ų109.732%0.3254%0.544SS..G310 helixtrans-68.7-3.6173.2-61.8-174.4-164.400112.6K605 I673 Y690 R691K605-M693 PolarHBondContact NZ-O 2.67Å; I673-M693 HydrophobicContact CG2-CE 3.62Å; I673-M693 HydrophobicContact CG2-SD 3.93Å; Y690-M693 HydrophobicContact CD1-CE 4.01Å; Y690-M693 HydrophobicContact CD1-SD 4.34Å; Y690-M693 HydrophobicContact CE1-CE 4.21Å; Y690-M693 PolarHBondContact O-N 2.74Å; R691-M693 VanDerWaalsContact C-N 3.31Å; R691-M693 PolarHBondContact O-N 3.44Å
694G44.3Very low49.1Very low41 Ų41110.5 Ų110.542%0.42355%0.553SS.*G310 helixtrans-122.6-0.2177.900000114.6R691 H692R691-G694 PolarHBondContact O-N 3Å; H692-G694 PolarHBondContact O-N 3.38Å
695N39Very low47.9Very low114 Ų114116.4 Ų116.461%0.6157%0.571SS**  trans-116.7112.2-173-81.4-24.4000111.6R691 H692 K697R691-N695 PolarHBondContact O-N 3.17Å; H692-N695 PolarHBondContact O-N 3.1Å; N695-K697 PolarHBondContact O-N 2.77Å
696V38.7Very low46.8Very low63 Ų63117.2 Ų117.238%0.38258%0.584SS.*  trans-33.8128.9148.8-160.80000109.1T422 K698T422-V696 HydrophobicContact CG2-CB 3.96Å; T422-V696 HydrophobicContact CG2-CG1 3.75Å; T422-V696 HydrophobicContact CG2-CG2 3.1Å; T422-V696 WeakPolarHBondContact OG1-CG2 3.49Å; V696-K698 PolarHBondContact O-N 2.75Å
697K35.1Very low45.7Very low201 Ų201122 Ų12287%0.87462%0.616SS**  trans-46.2110.3167-77.9-178.1174.5-177.90108.1N695 P699N695-K697 PolarHBondContact O-N 2.77Å; K697-P699 VanDerWaalsContact O-CD 3.3Å; K697-P699 WeakPolarHBondContact O-CD 3.47Å
698K33.4Very low43.9Very low196 Ų196129.1 Ų129.185%0.85265%0.65SS**PPolyproline II helixtrans-66.5119.9165.1-79.2-173.5174.8-173.60106.4V696 K700V696-K698 PolarHBondContact O-N 2.75Å; K698-K700 PolarHBondContact O-N 3.2Å
699P38.2Very low42.3Very low84 Ų84130 Ų13055%0.54567%0.665SS.*PPolyproline II helixtrans-69.8124.9160.722.9-16.7000107.4K697K697-P699 VanDerWaalsContact O-CD 3.3Å; K697-P699 WeakPolarHBondContact O-CD 3.47Å
700K38.3Very low40.7Very low197 Ų197136.8 Ų136.886%0.85769%0.686SS**SBendtrans-51.4136.2157.8-66.5177.1174.5-178.20106.5K698K698-K700 PolarHBondContact O-N 3.2Å
701Q37.4Very low39.3Very low186 Ų186144.7 Ų144.787%0.86972%0.724SS**  trans98.263.2-174.6-54.7171.6-9.800116.1
702V35.6Very low37.9Very low113 Ų113144 Ų14469%0.68574%0.739SS**  trans-161.777.6142.2-1710000107.5
703E37.2Very low36.7Very low190 Ų190148.2 Ų148.289%0.88876%0.756SS**SBendtrans-116.84.5175.8-153.4139.9-146.500112.7
704N39.9Very low35.6Very low153 Ų153150.7 Ų150.782%0.81878%0.78SS**SBendtrans-125.427.3-172.1-68.6-0.3000115.5
705M36.9Very low35.1Very low168 Ų168154 Ų15483%0.82880%0.796SS**SBendtrans-145.754.2179.1-69-171.9-173.800114.2
706I39.7Very low34.7Very low163 Ų163153.2 Ų153.284%0.83680%0.8SS**  trans-149.3114.2158-53.5180000108.3
707P40.8Very low34.2Very low120 Ų120155.4 Ų155.478%0.77982%0.818SS**  trans-72.8146.3169.829.1-29.9000111.1
708E32.1Very low34Very low197 Ų197151.3 Ų151.392%0.92181%0.814SS**  trans-53.9129-174.5-70.3156.5136.200113.9
709A32.1Very low34Very low106 Ų106147.2 Ų147.288%0.87681%0.811SS**  trans-143.679.2157.800000107.1
710R29.3Very low33.7Very low241 Ų241148.1 Ų148.191%0.90982%0.819SS**  trans-134.870.5-179.6-157.2-170.3-155.4171.72.9109.2
711E32.3Very low33.3Very low191 Ų191143.8 Ų143.889%0.89381%0.813SS**  trans-167105.5166.6-109.5165.2-145.400108.3
712S30.7Very low33.1Very low112 Ų112140.2 Ų140.278%0.78381%0.809SS**  trans15756.5155.768.90000110.6
713F28.8Very low33Very low212 Ų212140.2 Ų140.293%0.9381%0.814SS**SBendtrans-149.957.4165.8-117.5-79.7000109.9
714S28.8Very low32.8Very low117 Ų117136.6 Ų136.682%0.81881%0.81SS**  trans-168.288.9164.655.10000110.4
715S31.9Very low32.5Very low109 Ų109134.4 Ų134.476%0.76281%0.806SS**  trans-168.8129.2152.149.50000110.3
716S30.6Very low32.2Very low99 Ų99135.4 Ų135.469%0.69281%0.807SS**  trans60.3105.5149.653.20000117.1
717S29Very low31.9Very low108 Ų108132.5 Ų132.576%0.75580%0.8SS**  cis39.4118.345.470.40000115.4
718S30.6Very low31.6Very low115 Ų115132.4 Ų132.480%0.80480%0.798SS**  trans88139.4163.872.30000119.7
719S32.9Very low31.6Very low111 Ų111128.2 Ų128.278%0.77679%0.79SS**  trans10792.3171.568.80000114.9
720S33Very low31.7Very low102 Ų102128.2 Ų128.271%0.71379%0.791SS**  72.4102.281.568.90000111.7
721S30.6Very low31.9Very low106 Ų106121.7 Ų121.774%0.74178%0.782SS**  95.3114.888.8630000112.8
722S32.9Very low32.1Very low111 Ų111119 Ų11978%0.77678%0.778SS**  trans168.5108.414634.10000108.6
723S33Very low32.5Very low113 Ų113119 Ų11979%0.7978%0.778SS**  64.6126.5112.464.80000113.9
724S33.9Very low32.6Very low115 Ų115114.2 Ų114.280%0.80477%0.772SS**  cis-164.1144.239.546.90000111.2
725S31.8Very low33.1Very low107 Ų107113.8 Ų113.875%0.74877%0.766SS**  trans-58.8141.216740.90000114
726F32Very low33.3Very low189 Ų189116.7 Ų116.783%0.82977%0.772SS**  trans-135.5103.4148.1-151.8-97.8000109.1T728F726-T728 HydrophobicContact CD1-CG2 4.29Å; F726-T728 HydrophobicContact CE1-CG2 3.53Å; F726-T728 HydrophobicContact CZ-CG2 4.08Å
727S32.2Very low33.4Very low101 Ų101115.2 Ų115.271%0.70677%0.772SS**  trans-103.2124168.141.70000107.2
728T34.7Very low33.8Very low118 Ų118118.5 Ų118.572%0.72478%0.776SS**  trans-124.294.8163.7270000108.7F726F726-T728 HydrophobicContact CD1-CG2 4.29Å; F726-T728 HydrophobicContact CE1-CG2 3.53Å; F726-T728 HydrophobicContact CZ-CG2 4.08Å
729S32.9Very low33.9Very low109 Ų109120.3 Ų120.376%0.76278%0.776SS**  trans-71.7133.6150.344.60000109.2
730A34.2Very low34.2Very low107 Ų107122.4 Ų122.488%0.88478%0.777SS**  trans-137.5113.6157.300000107.8
731S33.9Very low34.3Very low104 Ų104126.3 Ų126.373%0.72778%0.783SS**  trans-130.2117.9178.748.10000106.7
732T36.4Very low34.7Very low133 Ų133130.8 Ų130.882%0.81679%0.793SS**  trans-166.197163.339.70000106
733S37.4Very low34.9Very low112 Ų112134 Ų13478%0.78380%0.796SS**  66.2107.687.566.70000114.8
734S31.8Very low35.3Very low113 Ų113138.2 Ų138.279%0.7980%0.803SS**  trans-61.2-178.9149.9-43.30000110.9
735P39.8Very low35.5Very low108 Ų108141.8 Ų141.870%0.70181%0.807SS**  cis-142-173.73.738.5-16.1000116
736L35.5Very low35.9Very low169 Ų169140.3 Ų140.389%0.88581%0.808SS**  trans63.4119.2144.6-112.383.9000122.4
737G33Very low36.2Very low68 Ų68139.6 Ų139.670%0.70181%0.809SS**  91.6137.3115.300000121.4
738Q36.6Very low36.9Very low178 Ų178142 Ų14283%0.83281%0.813SS**  trans86.9108.2160.7-65.5-177.2-41.900116.9
739L32.7Very low37.2Very low153 Ų153142.4 Ų142.480%0.80182%0.817SS**  79.613183.4-80.3171.7000112.3
740I39.4Very low38.3Very low155 Ų155146 Ų14680%0.79582%0.822SS**  trans151.496.1158-77.4152.6000104.7
741E35Very low39Very low183 Ų183150 Ų15086%0.85582%0.819SS**  53.7101.888.1-80.8-179.816600112.4
742E40.3Very low39.6Very low201 Ų201156.4 Ų156.494%0.93985%0.846SS**  trans-138.6118.9150.1-106.7176-177.100108.4
743E36.7Very low39.8Very low179 Ų179157.6 Ų157.684%0.83685%0.847SS**  trans-61.5144.1170.6-67.6163.7125.800111
744E40.6Very low39.9Very low201 Ų201160 Ų16094%0.93985%0.851SS**  trans-143.399.7144.1-115.4-178.9176.500109
745E38.1Very low40.3Very low190 Ų190162.6 Ų162.689%0.88885%0.854SS**  trans-66.3137.1160.3-71-177.2137.600109.7
746G41.3Very low40.4Very low75 Ų75165.8 Ų165.877%0.77386%0.863SS**  trans-171.160.2-177.600000114.8
747M37.9Very low40.7Very low174 Ų174165.6 Ų165.686%0.85786%0.862SS**  trans-6.4131.1150.3-155.9-175.1-48.100117.3
748I46Very low41.2Very low153 Ų153172.1 Ų172.179%0.78587%0.872SS**  175.7125.4129.1-80.8145.3000108.8
749P41.8Very low41.5Very low125 Ų125171.7 Ų171.781%0.81288%0.875SS**  trans-96.9128.9159.133.6-23000109.7
750E56.6Low42.2Very low185 Ų185173.2 Ų173.286%0.86488%0.881SS**  trans-105.1130.4169-163.6164.1-164.500109.7
751K48.5Very low42.4Very low190 Ų190174.7 Ų174.783%0.82689%0.888SS**  trans-68.2134.2170.8-77.9171.7168.4177.20109.6
752D46.4Very low43.1Very low240 Ų240173.9 Ų173.9100%1.28389%0.891SS**  -159.20119.3-91.7-20.4000109.5

Retrieved 752 of 752 residues in 1352.3 ms (Link to these results)

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