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PTS system mannitol-specific EIICB component

The phosphoenolpyruvate-dependent sugar phosphotransferase system (sugar PTS), a major carbohydrate active transport system, catalyzes the phosphorylation of incoming sugar substrates concomitantly with their translocation across the cell membrane. The enzyme II CmtAB PTS system is involved in D-mannitol transport.

AlphaFold DB (Q2FW99), UniProt , Accession Q99SA3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene mtlA, Length 512 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
1M45.8Very low49.5Very low227 Ų227126.3 Ų126.3100%1.11866%0.664SS**  0-5.30-78.2176.1173.100114.5
2S46.5Very low51Low97 Ų97132.2 Ų132.268%0.67867%0.671SS**  trans-81.8-25.1-179.1115.30000115.4T4S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.92Å
3Q43.8Very low52.4Low153 Ų153137.3 Ų137.372%0.71568%0.677SS**Hα-helixtrans-72.3-16-177.3-71.5-175-4.100114.7
4T46.7Very low53.2Low99 Ų99132.6 Ų132.661%0.60766%0.66SS**Hα-helixtrans-84.8-23.7-177.6-35.80000112.2S2S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.92Å
5E39.1Very low54Low150 Ų150128.6 Ų128.670%0.70164%0.638SS**Hα-helixtrans-78.5-39.6174.6-69.2-143.9138.600112.6K7 K8 G9E5-K7 VanDerWaalsContact C-N 3.34Å; E5-K7 PolarHBondContact O-N 2.94Å; E5-K8 WeakPolarHBondContact O-CB 3.22Å; E5-K8 PolarHBondContact O-N 3.33Å; E5-K8 VanDerWaalsContact O-N 3.1Å; E5-G9 PolarHBondContact O-N 3.03Å
6E35.4Very low54.9Low146 Ų146124.4 Ų124.468%0.68263%0.63SS**Hα-helixtrans-60.2-41.2178-97-173.3151.900112.8K8 G9 I10E6-K8 VanDerWaalsContact C-N 3.27Å; E6-K8 PolarHBondContact O-N 3.28Å; E6-G9 PolarHBondContact O-N 2.97Å; E6-I10 PolarHBondContact O-N 3.44Å
7K43.2Very low55.8Low169 Ų169124.7 Ų124.774%0.73563%0.627SS**Hα-helixtrans-63.7-30.9177.2-75.3-172.8176.6-178.50112.7E5 G9E5-K7 VanDerWaalsContact C-N 3.34Å; E5-K7 PolarHBondContact O-N 2.94Å; K7-G9 VanDerWaalsContact C-N 3.28Å; K7-G9 PolarHBondContact O-N 2.59Å
8K48.8Very low56.4Low154 Ų154118.2 Ų118.267%0.6760%0.596SS**Hα-helixtrans-67.7-29.9173.8-70.4-179.6177.9179.40111.8E5 E6 R12E5-K8 WeakPolarHBondContact O-CB 3.22Å; E5-K8 PolarHBondContact O-N 3.33Å; E5-K8 VanDerWaalsContact O-N 3.1Å; E6-K8 VanDerWaalsContact C-N 3.27Å; E6-K8 PolarHBondContact O-N 3.28Å; K8-R12 WeakPolarHBondContact O-CB 3.25Å; K8-R12 PolarHBondContact O-N 3.25Å
9G62.9Low57.1Low34 Ų34114.8 Ų114.835%0.35159%0.585SS.*Hα-helixtrans-68.4-45.7179.100000113.9E5 E6 K7 R13E5-G9 PolarHBondContact O-N 3.03Å; E6-G9 PolarHBondContact O-N 2.97Å; K7-G9 VanDerWaalsContact C-N 3.28Å; K7-G9 PolarHBondContact O-N 2.59Å; G9-R13 WeakPolarHBondContact O-CG 3.34Å; G9-R13 PolarHBondContact O-N 3.46Å; G9-R13 VanDerWaalsContact O-N 3.1Å
10I69.4Low58.1Low116 Ų116112 Ų11260%0.59557%0.568SS**Hα-helixtrans-66.6-48.6-177.5-61.1173.7000111E6 R12 R13 V14E6-I10 PolarHBondContact O-N 3.44Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.37Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-R13 VanDerWaalsContact O-N 3.13Å; I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.14Å; I10-V14 PolarHBondContact O-N 2.92Å
11G63.4Low58.9Low44 Ų44107.6 Ų107.645%0.45455%0.546SS..Hα-helixtrans-58.2-42.9179.300000112.4R13 V14 Q15G11-R13 PolarHBondContact O-N 3.32Å; G11-V14 PolarHBondContact O-N 3.18Å; G11-Q15 WeakPolarHBondContact O-CB 3.45Å; G11-Q15 PolarHBondContact O-N 3.38Å
12R67.5Low60.1Low197 Ų19797 Ų9774%0.74350%0.495SS*.Hα-helixtrans-64.3-37.9177-164.3175.6-167.2152.21.8112.5K8 I10 A16K8-R12 WeakPolarHBondContact O-CB 3.25Å; K8-R12 PolarHBondContact O-N 3.25Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.37Å; R12-A16 VanDerWaalsContact O-CB 3.32Å; R12-A16 WeakPolarHBondContact O-CB 3.24Å; R12-A16 PolarHBondContact O-N 2.86Å
13R68.8Low61.6Low199 Ų19994 Ų9475%0.75147%0.473SS*.Hα-helixtrans-67.1-44.7174.9-74.4180-176.7177.83112.1G9 I10 G11 Q15 A16 F17G9-R13 WeakPolarHBondContact O-CG 3.34Å; G9-R13 PolarHBondContact O-N 3.46Å; G9-R13 VanDerWaalsContact O-N 3.1Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-R13 VanDerWaalsContact O-N 3.13Å; G11-R13 PolarHBondContact O-N 3.32Å; R13-Q15 VanDerWaalsContact C-N 3.3Å; R13-Q15 PolarHBondContact O-N 3Å; R13-A16 PolarHBondContact O-N 3.36Å; R13-F17 WeakPolarHBondContact O-CB 3.48Å; R13-F17 PolarHBondContact O-N 3.04Å
14V64.1Low63.5Low72 Ų7286.7 Ų86.744%0.43644%0.439SS..Hα-helixtrans-60.7-43.1176.41730000110.5I10 G11 F17 G18 L195I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.14Å; I10-V14 PolarHBondContact O-N 2.92Å; G11-V14 PolarHBondContact O-N 3.18Å; V14-F17 PolarHBondContact O-N 2.74Å; V14-G18 PolarHBondContact O-N 3.09Å; V14-L195 HydrophobicContact CG1-CD2 4Å
15Q64.6Low64.9Low72 Ų7282.2 Ų82.234%0.33641%0.411SS..Hα-helixtrans-65.3-44.6176-174.6-177.6-1.500112.4G11 R13 F17 G18 S19 T360G11-Q15 WeakPolarHBondContact O-CB 3.45Å; G11-Q15 PolarHBondContact O-N 3.38Å; R13-Q15 VanDerWaalsContact C-N 3.3Å; R13-Q15 PolarHBondContact O-N 3Å; Q15-F17 VanDerWaalsContact C-N 3.3Å; Q15-F17 PolarHBondContact O-N 3.08Å; Q15-G18 PolarHBondContact O-N 3.03Å; Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 3.35Å; Q15-T360 PolarHBondContact NE2-O 3.1Å
16A67.8Low66.7Low62 Ų6278 Ų7851%0.51239%0.392SS..Hα-helixtrans-60.4-42.6176.700000111.3R12 R13 S19 F20R12-A16 VanDerWaalsContact O-CB 3.32Å; R12-A16 WeakPolarHBondContact O-CB 3.24Å; R12-A16 PolarHBondContact O-N 2.86Å; R13-A16 PolarHBondContact O-N 3.36Å; A16-S19 PolarHBondContact O-N 3.34Å; A16-F20 WeakPolarHBondContact O-CB 3.43Å; A16-F20 PolarHBondContact O-N 3.48Å
17F70.1Confident68.9Low129 Ų12975 Ų7557%0.56639%0.386SS*.Hα-helixtrans-62.1-48.2174.4-178.2-105.8000111.8R13 V14 Q15 S19 F20 L21R13-F17 WeakPolarHBondContact O-CB 3.48Å; R13-F17 PolarHBondContact O-N 3.04Å; V14-F17 PolarHBondContact O-N 2.74Å; Q15-F17 VanDerWaalsContact C-N 3.3Å; Q15-F17 PolarHBondContact O-N 3.08Å; F17-S19 PolarHBondContact O-N 3.41Å; F17-F20 WeakPolarHBondContact O-CB 3.26Å; F17-F20 PolarHBondContact O-N 3.47Å; F17-L21 HydrophobicContact CD1-CD1 4.05Å; F17-L21 HydrophobicContact CD1-CG 4.42Å; F17-L21 HydrophobicContact CE1-CD1 3.43Å; F17-L21 VanDerWaalsContact CE1-CD1 3.43Å; F17-L21 HydrophobicContact CE1-CG 4.08Å; F17-L21 HydrophobicContact CE2-CD2 4.29Å; F17-L21 HydrophobicContact CE2-CG 4.41Å; F17-L21 HydrophobicContact CZ-CD1 3.71Å; F17-L21 HydrophobicContact CZ-CD2 4.14Å; F17-L21 HydrophobicContact CZ-CG 4.08Å; F17-L21 WeakPolarHBondContact O-CG 3.37Å; F17-L21 PolarHBondContact O-N 3.12Å
18G67.1Low70.8Confident8 Ų867.7 Ų67.78%0.08235%0.354CS..Hα-helixtrans-60.7-41.3176.400000113.3V14 Q15 F20 L21 S22V14-G18 PolarHBondContact O-N 3.09Å; Q15-G18 PolarHBondContact O-N 3.03Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 2.81Å; G18-L21 PolarHBondContact O-N 3.29Å; G18-S22 VanDerWaalsContact O-CB 3.27Å; G18-S22 WeakPolarHBondContact O-CB 3.25Å; G18-S22 PolarHBondContact O-N 3.3Å
19S69.9Low72.1Confident54 Ų5462.7 Ų62.738%0.37834%0.335SS..Hα-helixtrans-63-40.7174.6-178.60000111.6Q15 A16 F17 S22 S23Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 3.35Å; A16-S19 PolarHBondContact O-N 3.34Å; F17-S19 PolarHBondContact O-N 3.41Å; S19-S22 PolarHBondContact O-N 2.83Å; S19-S23 PolarHBondContact O-N 2.89Å; S19-S23 PolarHBondContact O-OG 3.18Å
20F76.6Confident72.9Confident58 Ų5863.3 Ų63.325%0.25434%0.341SS..Hα-helixtrans-64.1-49176.7-178.4-95.8000111.5A16 F17 G18 S22 S23 M24 L76 I77 P111A16-F20 WeakPolarHBondContact O-CB 3.43Å; A16-F20 PolarHBondContact O-N 3.48Å; F17-F20 WeakPolarHBondContact O-CB 3.26Å; F17-F20 PolarHBondContact O-N 3.47Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 2.81Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 3.02Å; F20-S23 PolarHBondContact O-N 3.09Å; F20-S23 VanDerWaalsContact O-N 3.12Å; F20-S23 PolarHBondContact O-OG 3.45Å; F20-M24 HydrophobicContact CD1-SD 4.23Å; F20-M24 HydrophobicContact CE1-CG 4.47Å; F20-M24 HydrophobicContact CE1-SD 3.68Å; F20-M24 HydrophobicContact CZ-SD 4.28Å; F20-M24 PolarHBondContact O-N 3.23Å; F20-L76 HydrophobicContact CE2-CB 4.07Å; F20-L76 HydrophobicContact CE2-CD1 4.29Å; F20-I77 HydrophobicContact CE2-CD1 3.85Å; F20-I77 HydrophobicContact CZ-CD1 3.9Å; F20-I77 HydrophobicContact CZ-CG1 4.33Å; F20-P111 HydrophobicContact CE1-CB 3.9Å; F20-P111 HydrophobicContact CE1-CG 3.39Å; F20-P111 HydrophobicContact CZ-CB 3.79Å; F20-P111 HydrophobicContact CZ-CG 3.62Å
21L76.5Confident73.7Confident20 Ų2058.6 Ų58.611%0.10532%0.319CS..Hα-helixtrans-59.7-42.7175.6-64.7-172.4000112.1F17 G18 S23 M24 I25 M107F17-L21 HydrophobicContact CD1-CD1 4.05Å; F17-L21 HydrophobicContact CD1-CG 4.42Å; F17-L21 HydrophobicContact CE1-CD1 3.43Å; F17-L21 VanDerWaalsContact CE1-CD1 3.43Å; F17-L21 HydrophobicContact CE1-CG 4.08Å; F17-L21 HydrophobicContact CE2-CD2 4.29Å; F17-L21 HydrophobicContact CE2-CG 4.41Å; F17-L21 HydrophobicContact CZ-CD1 3.71Å; F17-L21 HydrophobicContact CZ-CD2 4.14Å; F17-L21 HydrophobicContact CZ-CG 4.08Å; F17-L21 WeakPolarHBondContact O-CG 3.37Å; F17-L21 PolarHBondContact O-N 3.12Å; G18-L21 PolarHBondContact O-N 3.29Å; L21-S23 VanDerWaalsContact C-N 3.29Å; L21-S23 PolarHBondContact O-N 3.47Å; L21-M24 HydrophobicContact CD2-SD 4.41Å; L21-M24 WeakPolarHBondContact O-CB 3.16Å; L21-M24 PolarHBondContact O-N 3.15Å; L21-I25 PolarHBondContact O-N 3.18Å; L21-M107 HydrophobicContact CB-CE 3.9Å; L21-M107 HydrophobicContact CD1-CE 3.68Å; L21-M107 HydrophobicContact CD2-CE 3.53Å; L21-M107 HydrophobicContact CG-CE 3.88Å
22S69.8Low74.3Confident5 Ų557.4 Ų57.44%0.03530%0.302CS..Hα-helixtrans-60.3-39.5176.6-172.90000111.7G18 S19 F20 M24 I25 M26 N197G18-S22 VanDerWaalsContact O-CB 3.27Å; G18-S22 WeakPolarHBondContact O-CB 3.25Å; G18-S22 PolarHBondContact O-N 3.3Å; S19-S22 PolarHBondContact O-N 2.83Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 3.02Å; S22-M24 PolarHBondContact O-N 3.05Å; S22-I25 PolarHBondContact O-N 3.11Å; S22-I25 VanDerWaalsContact O-N 3.09Å; S22-M26 WeakPolarHBondContact O-CG 3.13Å; S22-M26 PolarHBondContact O-N 2.91Å; S22-M26 WeakPolarHBondContact OG-CE 3.47Å; S22-N197 PolarHBondContact OG-ND2 2.98Å; S22-N197 VanDerWaalsContact OG-ND2 3.08Å
23S78.2Confident74.7Confident32 Ų3251.2 Ų51.222%0.22428%0.283CS..Hα-helixtrans-66.9-18.3176.367.20000114.3S19 F20 L21 P27 L76S19-S23 PolarHBondContact O-N 2.89Å; S19-S23 PolarHBondContact O-OG 3.18Å; F20-S23 PolarHBondContact O-N 3.09Å; F20-S23 VanDerWaalsContact O-N 3.12Å; F20-S23 PolarHBondContact O-OG 3.45Å; L21-S23 VanDerWaalsContact C-N 3.29Å; L21-S23 PolarHBondContact O-N 3.47Å; S23-P27 WeakPolarHBondContact O-CD 3.33Å; S23-P27 WeakPolarHBondContact O-CG 3.26Å; S23-L76 WeakPolarHBondContact OG-CD1 3.5Å
24M83.8Confident75.4Confident0 Ų043.8 Ų43.80%026%0.264CS..Hα-helixtrans-81.6-25.5171.7-62.4178.453.800113F20 L21 S22 N28 I69 L76 M107 P111F20-M24 HydrophobicContact CD1-SD 4.23Å; F20-M24 HydrophobicContact CE1-CG 4.47Å; F20-M24 HydrophobicContact CE1-SD 3.68Å; F20-M24 HydrophobicContact CZ-SD 4.28Å; F20-M24 PolarHBondContact O-N 3.23Å; L21-M24 HydrophobicContact CD2-SD 4.41Å; L21-M24 WeakPolarHBondContact O-CB 3.16Å; L21-M24 PolarHBondContact O-N 3.15Å; S22-M24 PolarHBondContact O-N 3.05Å; M24-N28 PolarHBondContact O-ND2 3.38Å; M24-I69 HydrophobicContact CB-CG2 4.38Å; M24-I69 HydrophobicContact CE-CG2 3.78Å; M24-I69 WeakPolarHBondContact CE-O 3.16Å; M24-L76 HydrophobicContact CG-CD1 3.75Å; M24-M107 HydrophobicContact CE-CB 4.3Å; M24-M107 HydrophobicContact CE-CG 4.27Å; M24-P111 HydrophobicContact CE-CG 4.17Å; M24-P111 HydrophobicContact SD-CG 3.79Å
25I76.4Confident76.3Confident6 Ų641.2 Ų41.23%0.03125%0.246CC..Hα-helixtrans-101.5-43.5-171.2-60.6175.1000111.4L21 S22 P27 N28 I29 F32 M107 H201L21-I25 PolarHBondContact O-N 3.18Å; S22-I25 PolarHBondContact O-N 3.11Å; S22-I25 VanDerWaalsContact O-N 3.09Å; I25-P27 VanDerWaalsContact C-CD 3.49Å; I25-N28 CarbonylContact O-C 3.33Å; I25-N28 WeakPolarHBondContact O-CA 3.39Å; I25-N28 PolarHBondContact O-N 3.42Å; I25-I29 PolarHBondContact O-N 3.16Å; I25-F32 HydrophobicContact CG2-CE2 4.14Å; I25-M107 HydrophobicContact CD1-CE 4.11Å; I25-M107 HydrophobicContact CD1-SD 4.22Å; I25-H201 HydrophobicContact CB-CB 4.49Å; I25-H201 HydrophobicContact CD1-CB 3.5Å; I25-H201 WeakPolarHBondContact CD1-O 3.46Å; I25-H201 HydrophobicContact CG2-CB 4.07Å
26M76Confident76.7Confident61 Ų6138 Ų3830%0.323%0.232SC..G310 helixtrans-55.6-42.5-175.6-73.1-174.2-70.100114.4S22 N28 I29 M429S22-M26 WeakPolarHBondContact O-CG 3.13Å; S22-M26 PolarHBondContact O-N 2.91Å; S22-M26 WeakPolarHBondContact OG-CE 3.47Å; M26-N28 PolarHBondContact O-N 3.35Å; M26-N28 VanDerWaalsContact O-N 3.09Å; M26-I29 WeakPolarHBondContact O-CB 3.41Å; M26-I29 WeakPolarHBondContact O-CG2 3.38Å; M26-I29 PolarHBondContact O-N 3.4Å; M26-M429 HydrophobicContact CB-CE 4Å; M26-M429 HydrophobicContact SD-CE 4.42Å
27P81.4Confident77.3Confident83 Ų8340 Ų4054%0.53923%0.229SC..G310 helixtrans-60.4-21.7176.8-24.335.9000113.7S23 I25S23-P27 WeakPolarHBondContact O-CD 3.33Å; S23-P27 WeakPolarHBondContact O-CG 3.26Å; I25-P27 VanDerWaalsContact C-CD 3.49Å
28N84Confident78Confident15 Ų1535.1 Ų35.18%0.0821%0.209CC..G310 helixtrans-103.44.6-174.6-54.7-56.9000112.8M24 I25 M26 G30 A31 F32 L68 S72M24-N28 PolarHBondContact O-ND2 3.38Å; I25-N28 CarbonylContact O-C 3.33Å; I25-N28 WeakPolarHBondContact O-CA 3.39Å; I25-N28 PolarHBondContact O-N 3.42Å; M26-N28 PolarHBondContact O-N 3.35Å; M26-N28 VanDerWaalsContact O-N 3.09Å; N28-G30 PolarHBondContact O-N 2.82Å; N28-A31 WeakPolarHBondContact O-CB 3.48Å; N28-A31 PolarHBondContact O-N 2.94Å; N28-F32 PolarHBondContact O-N 3.44Å; N28-L68 HydrophobicContact CB-CB 4.34Å; N28-L68 PolarHBondContact ND2-O 2.8Å; N28-L68 WeakPolarHBondContact OD1-CB 3.35Å; N28-S72 PolarHBondContact ND2-OG 2.91Å
29I75.6Confident78.5Confident50 Ų5034.8 Ų34.826%0.25621%0.206SC..Hα-helixtrans-59.8-31.7-176-160.667.1000112.4I25 M26 A31 F32 I33I25-I29 PolarHBondContact O-N 3.16Å; M26-I29 WeakPolarHBondContact O-CB 3.41Å; M26-I29 WeakPolarHBondContact O-CG2 3.38Å; M26-I29 PolarHBondContact O-N 3.4Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.88Å; I29-F32 HydrophobicContact CD1-CB 4.5Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.35Å; I29-I33 HydrophobicContact CG1-CD1 4.31Å; I29-I33 WeakPolarHBondContact O-CG1 3.48Å; I29-I33 PolarHBondContact O-N 3.32Å
30G79.8Confident78.6Confident47 Ų4732.9 Ų32.949%0.48519%0.193SC..Hα-helixtrans-60.3-36.7174.500000113.1N28 I33 A34N28-G30 PolarHBondContact O-N 2.82Å; G30-I33 PolarHBondContact O-N 3.49Å; G30-A34 WeakPolarHBondContact O-CB 3.15Å; G30-A34 PolarHBondContact O-N 2.9Å
31A86.3Confident78.9Confident17 Ų1732.9 Ų32.914%0.1420%0.195CC..Hα-helixtrans-69.9-38.3176.500000111.8N28 I29 A34 W35 I65 L68N28-A31 WeakPolarHBondContact O-CB 3.48Å; N28-A31 PolarHBondContact O-N 2.94Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.88Å; A31-A34 PolarHBondContact O-N 3.48Å; A31-W35 WeakPolarHBondContact O-CB 3.34Å; A31-W35 PolarHBondContact O-N 3.39Å; A31-I65 HydrophobicContact CB-CG1 4.34Å; A31-L68 HydrophobicContact CB-CD1 3.77Å
32F76.9Confident79.4Confident19 Ų1933.9 Ų33.98%0.08320%0.199CC..Hα-helixtrans-63-43.1172.5-79.5-85000112.2I25 N28 I29 W35 G36 I65 I69 L103 T205I25-F32 HydrophobicContact CG2-CE2 4.14Å; N28-F32 PolarHBondContact O-N 3.44Å; I29-F32 HydrophobicContact CD1-CB 4.5Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.35Å; F32-W35 PolarHBondContact O-N 2.99Å; F32-G36 PolarHBondContact O-N 3.34Å; F32-I65 HydrophobicContact CD1-CD1 3.97Å; F32-I65 HydrophobicContact CD1-CG2 4.2Å; F32-I65 HydrophobicContact CD2-CG2 4.13Å; F32-I65 HydrophobicContact CE1-CD1 4.27Å; F32-I65 HydrophobicContact CE1-CG2 3.57Å; F32-I65 HydrophobicContact CE2-CG2 3.48Å; F32-I65 VanDerWaalsContact CE2-CG2 3.48Å; F32-I65 HydrophobicContact CG-CD1 4.25Å; F32-I65 HydrophobicContact CG-CG2 4.47Å; F32-I65 HydrophobicContact CZ-CG2 3.17Å; F32-I69 HydrophobicContact CE2-CD1 4.15Å; F32-I69 HydrophobicContact CZ-CD1 3.96Å; F32-L103 HydrophobicContact CE1-CD1 4.43Å; F32-L103 HydrophobicContact CZ-CD2 4.39Å; F32-T205 HydrophobicContact CE1-CG2 4.02Å
33I74.5Confident79.8Confident67 Ų6736.2 Ų36.234%0.34421%0.21SC..Hα-helixtrans-64.3-45.7177.5-67.9166.2000110.5I29 G30 W35 G36 F37I29-I33 HydrophobicContact CG1-CD1 4.31Å; I29-I33 WeakPolarHBondContact O-CG1 3.48Å; I29-I33 PolarHBondContact O-N 3.32Å; G30-I33 PolarHBondContact O-N 3.49Å; I33-W35 PolarHBondContact O-N 3.03Å; I33-G36 PolarHBondContact O-N 3.23Å; I33-G36 VanDerWaalsContact O-N 3.15Å; I33-F37 HydrophobicContact CG2-CD2 3.89Å; I33-F37 HydrophobicContact CG2-CE2 3.47Å; I33-F37 VanDerWaalsContact CG2-CE2 3.47Å; I33-F37 HydrophobicContact CG2-CZ 4.16Å; I33-F37 WeakPolarHBondContact O-CD2 3.26Å; I33-F37 PolarHBondContact O-N 2.77Å
34A83.4Confident79.6Confident42 Ų4240.1 Ų40.135%0.34723%0.228SC..Hα-helixtrans-60.1-45.4177.100000111.9G30 A31 G36 F37 I38 M60G30-A34 WeakPolarHBondContact O-CB 3.15Å; G30-A34 PolarHBondContact O-N 2.9Å; A31-A34 PolarHBondContact O-N 3.48Å; A34-G36 VanDerWaalsContact C-N 3.34Å; A34-G36 PolarHBondContact O-N 3.43Å; A34-F37 PolarHBondContact O-N 3.46Å; A34-I38 WeakPolarHBondContact O-CG1 3.08Å; A34-I38 PolarHBondContact O-N 3.22Å; A34-I38 VanDerWaalsContact O-N 3.11Å; A34-M60 HydrophobicContact CB-CE 4.06Å
35W83.5Confident78.9Confident19 Ų1945.6 Ų45.67%0.07226%0.257CS..Hα-helixtrans-60.1-43.9173171.575000111.8A31 F32 I33 F37 I38 A39 A57 M60 I61 I65 K298A31-W35 WeakPolarHBondContact O-CB 3.34Å; A31-W35 PolarHBondContact O-N 3.39Å; F32-W35 PolarHBondContact O-N 2.99Å; I33-W35 PolarHBondContact O-N 3.03Å; W35-F37 VanDerWaalsContact C-N 3.34Å; W35-F37 PolarHBondContact O-N 2.96Å; W35-I38 PolarHBondContact O-N 3.47Å; W35-A39 WeakPolarHBondContact O-CB 3.33Å; W35-A39 PolarHBondContact O-N 3.36Å; W35-A57 PolarHBondContact NE1-O 2.69Å; W35-M60 HydrophobicContact CB-CB 4.36Å; W35-M60 HydrophobicContact CB-CE 3.91Å; W35-M60 HydrophobicContact CB-SD 4.4Å; W35-M60 HydrophobicContact CG-CB 4.37Å; W35-I61 HydrophobicContact CD2-CB 4.5Å; W35-I61 HydrophobicContact CD2-CD1 4.23Å; W35-I61 HydrophobicContact CE3-CD1 4.36Å; W35-I61 HydrophobicContact CH2-CD1 4.31Å; W35-I61 HydrophobicContact CZ2-CB 4.18Å; W35-I61 HydrophobicContact CZ2-CD1 4.19Å; W35-I61 HydrophobicContact CZ2-CG1 4.04Å; W35-I61 HydrophobicContact CZ3-CD1 4.38Å; W35-I65 HydrophobicContact CB-CD1 3.99Å; W35-I65 HydrophobicContact CG-CD1 4.2Å; W35-K298 WeakPolarHBondContact CH2-O 3.43Å
36G73.4Confident78.7Confident4 Ų445.4 Ų45.44%0.04126%0.257CS..Hα-helixtrans-57.1-44.2176.700000112.7F32 I33 A34 A39 A40F32-G36 PolarHBondContact O-N 3.34Å; I33-G36 PolarHBondContact O-N 3.23Å; I33-G36 VanDerWaalsContact O-N 3.15Å; A34-G36 VanDerWaalsContact C-N 3.34Å; A34-G36 PolarHBondContact O-N 3.43Å; G36-A39 PolarHBondContact O-N 3.45Å; G36-A40 VanDerWaalsContact O-CB 3.24Å; G36-A40 WeakPolarHBondContact O-CB 3.46Å; G36-A40 PolarHBondContact O-N 2.92Å
37F81.3Confident78.7Confident104 Ų10449.9 Ų49.946%0.45627%0.271SS..Hα-helixtrans-63.7-44.7174.8-74.2-46.9000112.6I33 A34 W35 A39 A40 I41I33-F37 HydrophobicContact CG2-CD2 3.89Å; I33-F37 HydrophobicContact CG2-CE2 3.47Å; I33-F37 VanDerWaalsContact CG2-CE2 3.47Å; I33-F37 HydrophobicContact CG2-CZ 4.16Å; I33-F37 WeakPolarHBondContact O-CD2 3.26Å; I33-F37 PolarHBondContact O-N 2.77Å; A34-F37 PolarHBondContact O-N 3.46Å; W35-F37 VanDerWaalsContact C-N 3.34Å; W35-F37 PolarHBondContact O-N 2.96Å; F37-A39 VanDerWaalsContact C-N 3.31Å; F37-A39 PolarHBondContact O-N 2.86Å; F37-A40 PolarHBondContact O-N 3.4Å; F37-I41 HydrophobicContact CB-CD1 4.32Å; F37-I41 VanDerWaalsContact O-CB 3.3Å; F37-I41 WeakPolarHBondContact O-CB 3.49Å; F37-I41 WeakPolarHBondContact O-CG1 3.11Å; F37-I41 PolarHBondContact O-N 3.33Å
38I84.3Confident79Confident27 Ų2751.6 Ų51.614%0.13828%0.275CS..Hα-helixtrans-60.1-44.9176.8-70.8164.7000110.3A34 W35 F42 L56 A57 M60A34-I38 WeakPolarHBondContact O-CG1 3.08Å; A34-I38 PolarHBondContact O-N 3.22Å; A34-I38 VanDerWaalsContact O-N 3.11Å; W35-I38 PolarHBondContact O-N 3.47Å; I38-F42 HydrophobicContact CB-CD2 4.49Å; I38-F42 HydrophobicContact CG1-CD2 4.49Å; I38-F42 HydrophobicContact CG2-CD2 4.32Å; I38-F42 PolarHBondContact O-N 2.95Å; I38-L56 HydrophobicContact CD1-CB 4.22Å; I38-L56 HydrophobicContact CD1-CD1 4.29Å; I38-L56 HydrophobicContact CG2-CB 4.01Å; I38-A57 HydrophobicContact CG2-CB 4.08Å; I38-M60 HydrophobicContact CD1-CE 4.23Å; I38-M60 HydrophobicContact CD1-SD 3.39Å; I38-M60 WeakPolarHBondContact CD1-SD 3.32Å
39A76.3Confident79.1Confident1 Ų154.1 Ų54.11%0.00829%0.292CS..Hα-helixtrans-66.9-37.4179.500000113.3W35 G36 F37 I43W35-A39 WeakPolarHBondContact O-CB 3.33Å; W35-A39 PolarHBondContact O-N 3.36Å; G36-A39 PolarHBondContact O-N 3.45Å; F37-A39 VanDerWaalsContact C-N 3.31Å; F37-A39 PolarHBondContact O-N 2.86Å; A39-I43 VanDerWaalsContact CA-CD1 3.48Å; A39-I43 HydrophobicContact CB-CD1 3.66Å; A39-I43 WeakPolarHBondContact O-CB 3.37Å
40A72.5Confident79.8Confident13 Ų1354.5 Ų54.511%0.10730%0.295CS..Hα-helixtrans-74.9-36178.400000112.5G36 F37 G46 W47G36-A40 VanDerWaalsContact O-CB 3.24Å; G36-A40 WeakPolarHBondContact O-CB 3.46Å; G36-A40 PolarHBondContact O-N 2.92Å; F37-A40 PolarHBondContact O-N 3.4Å; A40-G46 CarbonylContact O-C 3.05Å; A40-G46 WeakPolarHBondContact O-CA 3.23Å; A40-W47 PolarHBondContact O-N 3.42Å
41I82.9Confident80.3Confident58 Ų5860.2 Ų60.230%0.29731%0.306SS..Hα-helixtrans-88.2-52.6-174.3-60.4168.4000111F37 W47 L48F37-I41 HydrophobicContact CB-CD1 4.32Å; F37-I41 VanDerWaalsContact O-CB 3.3Å; F37-I41 WeakPolarHBondContact O-CB 3.49Å; F37-I41 WeakPolarHBondContact O-CG1 3.11Å; F37-I41 PolarHBondContact O-N 3.33Å; I41-W47 PolarHBondContact O-N 3.21Å; I41-L48 HydrophobicContact CG2-CB 3.96Å; I41-L48 CarbonylContact O-C 3.56Å; I41-L48 WeakPolarHBondContact O-CA 3.27Å; I41-L48 PolarHBondContact O-N 2.69Å; I41-L48 VanDerWaalsContact O-O 3.08Å
42F86.9Confident80.5Confident42 Ų4265.5 Ų65.518%0.18433%0.332CS..THydrogen-bonded Turntrans-102.7-20.3-161.5-58.2-59.1000116.1I38 P49 N50 L53I38-F42 HydrophobicContact CB-CD2 4.49Å; I38-F42 HydrophobicContact CG1-CD2 4.49Å; I38-F42 HydrophobicContact CG2-CD2 4.32Å; I38-F42 PolarHBondContact O-N 2.95Å; F42-P49 CarbonylContact O-C 3.58Å; F42-P49 WeakPolarHBondContact O-CA 3.34Å; F42-N50 HydrophobicContact CB-CB 4.45Å; F42-N50 HydrophobicContact CD1-CB 3.91Å; F42-N50 PolarHBondContact O-N 2.89Å; F42-L53 HydrophobicContact CB-CB 3.98Å; F42-L53 HydrophobicContact CD1-CB 4Å; F42-L53 HydrophobicContact CD1-CD1 3.76Å; F42-L53 HydrophobicContact CD2-CB 3.87Å; F42-L53 HydrophobicContact CD2-CD1 4.35Å; F42-L53 HydrophobicContact CE1-CB 4.48Å; F42-L53 HydrophobicContact CE1-CD1 3.47Å; F42-L53 VanDerWaalsContact CE1-CD1 3.47Å; F42-L53 HydrophobicContact CE2-CB 4.36Å; F42-L53 HydrophobicContact CE2-CD1 4.1Å; F42-L53 HydrophobicContact CG-CB 3.68Å; F42-L53 HydrophobicContact CG-CD1 4.2Å; F42-L53 HydrophobicContact CZ-CD1 3.66Å
43I79.5Confident81.2Confident53 Ų5367.8 Ų67.827%0.27235%0.345SS..SBendtrans-62.9158175.5-66.3178.6000110.1A39 N45 G46 A54 A57A39-I43 VanDerWaalsContact CA-CD1 3.48Å; A39-I43 HydrophobicContact CB-CD1 3.66Å; A39-I43 WeakPolarHBondContact O-CB 3.37Å; I43-N45 PolarHBondContact O-N 2.81Å; I43-G46 VanDerWaalsContact O-CA 3.31Å; I43-G46 WeakPolarHBondContact O-CA 3.41Å; I43-G46 PolarHBondContact O-N 3.49Å; I43-A54 HydrophobicContact CG1-CB 4.39Å; I43-A57 HydrophobicContact CD1-CB 3.94Å; I43-A57 HydrophobicContact CG1-CB 4.35Å
44D73.9Confident81.8Confident115 Ų11565.5 Ų65.562%0.61534%0.336SS*.THydrogen-bonded Turntrans-46.1-38.8-176.6-66.3-24.4000114.7G46 P49D44-G46 VanDerWaalsContact C-N 3.31Å; D44-G46 PolarHBondContact O-N 3.19Å; D44-P49 VanDerWaalsContact O-CG 3.24Å; D44-P49 WeakPolarHBondContact O-CG 3.48Å
45N68.6Low82.1Confident114 Ų11468.1 Ų68.161%0.6135%0.347SS*.THydrogen-bonded Turntrans-93.719.5177.7-67.1-20.8000113.4I43 K298I43-N45 PolarHBondContact O-N 2.81Å; N45-K298 VanDerWaalsContact CB-NZ 3.28Å; N45-K298 PolarHBondContact O-NZ 3.47Å
46G72.3Confident82.4Confident2 Ų271.1 Ų71.12%0.02136%0.364CS..SBendtrans-86.5179.3-176.900000113.1A40 I43 D44A40-G46 CarbonylContact O-C 3.05Å; A40-G46 WeakPolarHBondContact O-CA 3.23Å; I43-G46 VanDerWaalsContact O-CA 3.31Å; I43-G46 WeakPolarHBondContact O-CA 3.41Å; I43-G46 PolarHBondContact O-N 3.49Å; D44-G46 VanDerWaalsContact C-N 3.31Å; D44-G46 PolarHBondContact O-N 3.19Å
47W76.1Confident82.7Confident156 Ų15671.3 Ų71.359%0.59137%0.366SS*.SBendtrans-68.7-39.7177-72.680.5000112.3A40 I41A40-W47 PolarHBondContact O-N 3.42Å; I41-W47 PolarHBondContact O-N 3.21Å
48L87.4Confident82.8Confident118 Ų11868 Ų6862%0.61836%0.362SS*.SBendtrans-135.571.4-178.4-155.498.1000110.5I41 N50I41-L48 HydrophobicContact CG2-CB 3.96Å; I41-L48 CarbonylContact O-C 3.56Å; I41-L48 WeakPolarHBondContact O-CA 3.27Å; I41-L48 PolarHBondContact O-N 2.69Å; I41-L48 VanDerWaalsContact O-O 3.08Å; L48-N50 PolarHBondContact O-N 3.36Å
49P85.5Confident83.1Confident68 Ų6870.1 Ų70.144%0.44238%0.377SS..  trans-55.3128.8-173.8-26.435.9000112.6F42 D44F42-P49 CarbonylContact O-C 3.58Å; F42-P49 WeakPolarHBondContact O-CA 3.34Å; D44-P49 VanDerWaalsContact O-CG 3.24Å; D44-P49 WeakPolarHBondContact O-CG 3.48Å
50N91.9Very high83.8Confident59 Ų5971.4 Ų71.432%0.31638%0.383SS..  trans-144.1112.8178.4-178.4-58000108.8F42 L48 D52 L53 A54F42-N50 HydrophobicContact CB-CB 4.45Å; F42-N50 HydrophobicContact CD1-CB 3.91Å; F42-N50 PolarHBondContact O-N 2.89Å; L48-N50 PolarHBondContact O-N 3.36Å; N50-D52 VanDerWaalsContact C-N 3.32Å; N50-D52 PolarHBondContact O-N 3.1Å; N50-D52 PolarHBondContact OD1-N 3.08Å; N50-D52 VanDerWaalsContact OD1-N 3.09Å; N50-L53 HydrophobicContact CB-CB 4.22Å; N50-L53 HydrophobicContact CB-CD1 4.34Å; N50-L53 HydrophobicContact CB-CG 4.5Å; N50-L53 PolarHBondContact O-N 3.18Å; N50-L53 PolarHBondContact OD1-N 3.33Å; N50-A54 WeakPolarHBondContact O-CB 3.43Å; N50-A54 PolarHBondContact O-N 2.93Å
51K88.5Confident84.2Confident167 Ų16771.6 Ų71.673%0.72638%0.382SS*.Hα-helixtrans-59.2-41-173.8-68.5-172.9177.5-1770112.9T55K51-T55 WeakPolarHBondContact O-CG2 3.43Å; K51-T55 PolarHBondContact O-N 3.13Å
52D91.3Very high84.4Confident128 Ų12869.8 Ų69.868%0.68437%0.373SS*.Hα-helixtrans-68.8-46.7-177-59.7-31.6000110.7N50 T55N50-D52 VanDerWaalsContact C-N 3.32Å; N50-D52 PolarHBondContact O-N 3.1Å; N50-D52 PolarHBondContact OD1-N 3.08Å; N50-D52 VanDerWaalsContact OD1-N 3.09Å; D52-T55 WeakPolarHBondContact O-CB 3.42Å; D52-T55 PolarHBondContact O-N 3.1Å; D52-T55 PolarHBondContact O-OG1 3.39Å
53L92Very high84.7Confident67 Ų6771.9 Ų71.935%0.35138%0.381SS..Hα-helixtrans-72.6-29.9178.8-64.9176.3000112.8F42 N50 T55 L56F42-L53 HydrophobicContact CB-CB 3.98Å; F42-L53 HydrophobicContact CD1-CB 4Å; F42-L53 HydrophobicContact CD1-CD1 3.76Å; F42-L53 HydrophobicContact CD2-CB 3.87Å; F42-L53 HydrophobicContact CD2-CD1 4.35Å; F42-L53 HydrophobicContact CE1-CB 4.48Å; F42-L53 HydrophobicContact CE1-CD1 3.47Å; F42-L53 VanDerWaalsContact CE1-CD1 3.47Å; F42-L53 HydrophobicContact CE2-CB 4.36Å; F42-L53 HydrophobicContact CE2-CD1 4.1Å; F42-L53 HydrophobicContact CG-CB 3.68Å; F42-L53 HydrophobicContact CG-CD1 4.2Å; F42-L53 HydrophobicContact CZ-CD1 3.66Å; N50-L53 HydrophobicContact CB-CB 4.22Å; N50-L53 HydrophobicContact CB-CD1 4.34Å; N50-L53 HydrophobicContact CB-CG 4.5Å; N50-L53 PolarHBondContact O-N 3.18Å; N50-L53 PolarHBondContact OD1-N 3.33Å; L53-T55 PolarHBondContact O-N 3.28Å; L53-L56 HydrophobicContact CD2-CD1 4.39Å; L53-L56 WeakPolarHBondContact O-CB 3.25Å; L53-L56 WeakPolarHBondContact O-CG 3.49Å; L53-L56 PolarHBondContact O-N 3.39Å
54A85.5Confident85.4Confident19 Ų1972.8 Ų72.816%0.15739%0.386CS..Hα-helixtrans-60.5-29.117500000112.3I43 N50 L56 A57I43-A54 HydrophobicContact CG1-CB 4.39Å; N50-A54 WeakPolarHBondContact O-CB 3.43Å; N50-A54 PolarHBondContact O-N 2.93Å; A54-L56 PolarHBondContact O-N 3.13Å; A54-L56 VanDerWaalsContact O-N 3.08Å; A54-A57 WeakPolarHBondContact O-CB 3.23Å; A54-A57 PolarHBondContact O-N 3.24Å
55T90.3Very high86.1Confident96 Ų9667.4 Ų67.459%0.58936%0.357SS*.THydrogen-bonded Turntrans-61-18.517869.20000113.5K51 D52 L53 A57 P59K51-T55 WeakPolarHBondContact O-CG2 3.43Å; K51-T55 PolarHBondContact O-N 3.13Å; D52-T55 WeakPolarHBondContact O-CB 3.42Å; D52-T55 PolarHBondContact O-N 3.1Å; D52-T55 PolarHBondContact O-OG1 3.39Å; L53-T55 PolarHBondContact O-N 3.28Å; T55-A57 VanDerWaalsContact C-N 3.33Å; T55-P59 WeakPolarHBondContact O-CD 3.41Å
56L89.7Confident87.2Confident82 Ų8262 Ų6243%0.42933%0.328SS..THydrogen-bonded Turntrans-68.2-30.8174.9-64.7171.2000112.7I38 L53 A54 G58 P59 M60I38-L56 HydrophobicContact CD1-CB 4.22Å; I38-L56 HydrophobicContact CD1-CD1 4.29Å; I38-L56 HydrophobicContact CG2-CB 4.01Å; L53-L56 HydrophobicContact CD2-CD1 4.39Å; L53-L56 WeakPolarHBondContact O-CB 3.25Å; L53-L56 WeakPolarHBondContact O-CG 3.49Å; L53-L56 PolarHBondContact O-N 3.39Å; A54-L56 PolarHBondContact O-N 3.13Å; A54-L56 VanDerWaalsContact O-N 3.08Å; L56-G58 VanDerWaalsContact C-N 3.34Å; L56-G58 PolarHBondContact O-N 2.72Å; L56-P59 WeakPolarHBondContact O-CD 3.46Å; L56-M60 WeakPolarHBondContact O-CB 3.32Å; L56-M60 VanDerWaalsContact O-CG 3.26Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.28Å
57A79.8Confident88.3Confident8 Ų864.1 Ų64.17%0.06634%0.339CS..Hα-helixtrans-63.1-40.3-172.800000112.4W35 I38 I43 A54 T55 I61W35-A57 PolarHBondContact NE1-O 2.69Å; I38-A57 HydrophobicContact CG2-CB 4.08Å; I43-A57 HydrophobicContact CD1-CB 3.94Å; I43-A57 HydrophobicContact CG1-CB 4.35Å; A54-A57 WeakPolarHBondContact O-CB 3.23Å; A54-A57 PolarHBondContact O-N 3.24Å; T55-A57 VanDerWaalsContact C-N 3.33Å; A57-I61 WeakPolarHBondContact O-CG2 3.36Å; A57-I61 PolarHBondContact O-N 3.35Å
58G83.8Confident89.2Confident36 Ų3659.2 Ų59.237%0.37132%0.324SS..Hα-helixtrans-63.5-59.7-179.400000112.5L56 M60 I61 T62L56-G58 VanDerWaalsContact C-N 3.34Å; L56-G58 PolarHBondContact O-N 2.72Å; G58-M60 PolarHBondContact O-N 2.94Å; G58-I61 WeakPolarHBondContact O-CG2 3.38Å; G58-I61 PolarHBondContact O-N 3.16Å; G58-T62 WeakPolarHBondContact O-CB 3.27Å; G58-T62 PolarHBondContact O-N 2.99Å; G58-T62 PolarHBondContact O-OG1 3.33Å
59P91.3Very high89.4Confident70 Ų7053.7 Ų53.746%0.45530%0.295SS..Hα-helixtrans-60.5-30.8-179.6-26.235.6000114.1T55 L56 Y63 L64T55-P59 WeakPolarHBondContact O-CD 3.41Å; L56-P59 WeakPolarHBondContact O-CD 3.46Å; P59-Y63 HydrophobicContact CB-CD2 4.17Å; P59-Y63 WeakPolarHBondContact O-CA 3.18Å; P59-Y63 WeakPolarHBondContact O-CB 3.26Å; P59-Y63 PolarHBondContact O-N 3.2Å; P59-L64 PolarHBondContact O-N 3.13Å; P59-L64 VanDerWaalsContact O-N 3.15Å
60M89.8Confident89.9Confident28 Ų2850.4 Ų50.414%0.13827%0.274CS..Iπ-helixtrans-66.1-45.5176.4-75.3-177.780.100112.5A34 W35 I38 L56 G58 L64 I65A34-M60 HydrophobicContact CB-CE 4.06Å; W35-M60 HydrophobicContact CB-CB 4.36Å; W35-M60 HydrophobicContact CB-CE 3.91Å; W35-M60 HydrophobicContact CB-SD 4.4Å; W35-M60 HydrophobicContact CG-CB 4.37Å; I38-M60 HydrophobicContact CD1-CE 4.23Å; I38-M60 HydrophobicContact CD1-SD 3.39Å; I38-M60 WeakPolarHBondContact CD1-SD 3.32Å; L56-M60 WeakPolarHBondContact O-CB 3.32Å; L56-M60 VanDerWaalsContact O-CG 3.26Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.28Å; G58-M60 PolarHBondContact O-N 2.94Å; M60-L64 HydrophobicContact CE-CD2 4.02Å; M60-L64 HydrophobicContact CG-CD2 4.09Å; M60-L64 WeakPolarHBondContact O-CB 3.05Å; M60-L64 PolarHBondContact O-N 3.27Å; M60-I65 WeakPolarHBondContact O-CB 3.19Å; M60-I65 WeakPolarHBondContact O-CG1 3.33Å; M60-I65 PolarHBondContact O-N 3.04Å
61I82.3Confident90.1Very high18 Ų1850.1 Ų50.19%0.09227%0.27CS..Iπ-helixtrans-79.5-31.7-179.2-162.262000112.6W35 A57 G58 I65 P66 P101W35-I61 HydrophobicContact CD2-CB 4.5Å; W35-I61 HydrophobicContact CD2-CD1 4.23Å; W35-I61 HydrophobicContact CE3-CD1 4.36Å; W35-I61 HydrophobicContact CH2-CD1 4.31Å; W35-I61 HydrophobicContact CZ2-CB 4.18Å; W35-I61 HydrophobicContact CZ2-CD1 4.19Å; W35-I61 HydrophobicContact CZ2-CG1 4.04Å; W35-I61 HydrophobicContact CZ3-CD1 4.38Å; A57-I61 WeakPolarHBondContact O-CG2 3.36Å; A57-I61 PolarHBondContact O-N 3.35Å; G58-I61 WeakPolarHBondContact O-CG2 3.38Å; G58-I61 PolarHBondContact O-N 3.16Å; I61-I65 HydrophobicContact CD1-CD1 3.8Å; I61-P66 WeakPolarHBondContact O-CD 3.31Å; I61-P66 WeakPolarHBondContact O-CG 3.35Å; I61-P101 HydrophobicContact CG1-CB 4.02Å; I61-P101 HydrophobicContact CG1-CG 3.84Å; I61-P101 HydrophobicContact CG2-CG 4.34Å
62T85.1Confident90.3Very high19 Ų1942.8 Ų42.812%0.11724%0.24CC..Iπ-helixtrans-82.8-39.2-178.8-57.70000112.8G58 P66 I94G58-T62 WeakPolarHBondContact O-CB 3.27Å; G58-T62 PolarHBondContact O-N 2.99Å; G58-T62 PolarHBondContact O-OG1 3.33Å; T62-P66 WeakPolarHBondContact O-CG 3.35Å; T62-I94 HydrophobicContact CG2-CG2 3.97Å; T62-I94 VanDerWaalsContact O-CG2 3.25Å; T62-I94 WeakPolarHBondContact O-CG2 3.38Å
63Y93.5Very high90.4Very high86 Ų8636.7 Ų36.734%0.33721%0.207SC..Iπ-helixtrans-112.4-62-176-56.8-79.5000112.6P59 I65 P66 L67 M91 I94P59-Y63 HydrophobicContact CB-CD2 4.17Å; P59-Y63 WeakPolarHBondContact O-CA 3.18Å; P59-Y63 WeakPolarHBondContact O-CB 3.26Å; P59-Y63 PolarHBondContact O-N 3.2Å; Y63-I65 PolarHBondContact O-N 3.15Å; Y63-P66 WeakPolarHBondContact O-CD 3.36Å; Y63-L67 VanDerWaalsContact O-CB 3.28Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 WeakPolarHBondContact O-CD1 3.5Å; Y63-L67 WeakPolarHBondContact O-CG 3.27Å; Y63-L67 PolarHBondContact O-N 3.33Å; Y63-M91 HydrophobicContact CD1-CE 3.83Å; Y63-M91 HydrophobicContact CD1-SD 3.99Å; Y63-M91 HydrophobicContact CE1-CE 3.65Å; Y63-M91 HydrophobicContact CE1-SD 4.26Å; Y63-I94 HydrophobicContact CD1-CG2 3.58Å; Y63-I94 HydrophobicContact CE1-CG2 3.6Å; Y63-I94 HydrophobicContact CG-CG2 4.47Å
64L94.2Very high90.6Very high73 Ų7333.5 Ų33.538%0.38219%0.19SC..Iπ-helixtrans-57-54.6-168.7178.765.7000112.2P59 M60 L67 L68P59-L64 PolarHBondContact O-N 3.13Å; P59-L64 VanDerWaalsContact O-N 3.15Å; M60-L64 HydrophobicContact CE-CD2 4.02Å; M60-L64 HydrophobicContact CG-CD2 4.09Å; M60-L64 WeakPolarHBondContact O-CB 3.05Å; M60-L64 PolarHBondContact O-N 3.27Å; L64-L67 PolarHBondContact O-N 2.87Å; L64-L68 HydrophobicContact CD1-CD1 3.95Å; L64-L68 HydrophobicContact CD1-CG 4.21Å; L64-L68 HydrophobicContact CG-CD1 3.98Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 2.7Å
65I89.9Confident91.1Very high1 Ų137.5 Ų37.51%0.00520%0.201CC..Hα-helixtrans-66.1-50.2-173.9-67.8170.5000111.6A31 F32 W35 M60 I61 Y63 L67 L68 I69 L103A31-I65 HydrophobicContact CB-CG1 4.34Å; F32-I65 HydrophobicContact CD1-CD1 3.97Å; F32-I65 HydrophobicContact CD1-CG2 4.2Å; F32-I65 HydrophobicContact CD2-CG2 4.13Å; F32-I65 HydrophobicContact CE1-CD1 4.27Å; F32-I65 HydrophobicContact CE1-CG2 3.57Å; F32-I65 HydrophobicContact CE2-CG2 3.48Å; F32-I65 VanDerWaalsContact CE2-CG2 3.48Å; F32-I65 HydrophobicContact CG-CD1 4.25Å; F32-I65 HydrophobicContact CG-CG2 4.47Å; F32-I65 HydrophobicContact CZ-CG2 3.17Å; W35-I65 HydrophobicContact CB-CD1 3.99Å; W35-I65 HydrophobicContact CG-CD1 4.2Å; M60-I65 WeakPolarHBondContact O-CB 3.19Å; M60-I65 WeakPolarHBondContact O-CG1 3.33Å; M60-I65 PolarHBondContact O-N 3.04Å; I61-I65 HydrophobicContact CD1-CD1 3.8Å; Y63-I65 PolarHBondContact O-N 3.15Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 3.25Å; I65-I69 HydrophobicContact CG2-CD1 4.01Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 3.36Å; I65-L103 HydrophobicContact CB-CD2 4.39Å; I65-L103 HydrophobicContact CG2-CD2 3.52Å
66P90.8Very high91.1Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-56.7-42.4174.5-27.935.4000113.3I61 T62 Y63 L68 I69 A70 I94 L103 A106I61-P66 WeakPolarHBondContact O-CD 3.31Å; I61-P66 WeakPolarHBondContact O-CG 3.35Å; T62-P66 WeakPolarHBondContact O-CG 3.35Å; Y63-P66 WeakPolarHBondContact O-CD 3.36Å; P66-L68 PolarHBondContact O-N 3.32Å; P66-I69 PolarHBondContact O-N 3.19Å; P66-A70 WeakPolarHBondContact O-CB 3.34Å; P66-A70 PolarHBondContact O-N 3.19Å; P66-I94 HydrophobicContact CB-CD1 3.92Å; P66-I94 HydrophobicContact CB-CG1 4.27Å; P66-L103 HydrophobicContact CB-CD2 4.43Å; P66-L103 HydrophobicContact CG-CD2 3.78Å; P66-A106 HydrophobicContact CB-CB 4.08Å; P66-A106 WeakPolarHBondContact O-CB 3.39Å
67L96.3Very high91.3Very high47 Ų4734.5 Ų34.525%0.24618%0.181CC..Hα-helixtrans-64.1-41.2179.3-69.9172.3000112.1Y63 L64 I65 A70 F71 A87 I94Y63-L67 VanDerWaalsContact O-CB 3.28Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 WeakPolarHBondContact O-CD1 3.5Å; Y63-L67 WeakPolarHBondContact O-CG 3.27Å; Y63-L67 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 2.87Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.12Å; L67-A70 PolarHBondContact O-N 2.82Å; L67-F71 VanDerWaalsContact O-CB 3.27Å; L67-F71 WeakPolarHBondContact O-CB 3.41Å; L67-F71 PolarHBondContact O-N 3.45Å; L67-A87 HydrophobicContact CD2-CB 4.33Å; L67-A87 WeakPolarHBondContact CD2-O 3.42Å; L67-I94 HydrophobicContact CD2-CD1 3.86Å; L67-I94 HydrophobicContact CG-CD1 3.88Å
68L95.3Very high91.9Very high53 Ų5337 Ų3728%0.27719%0.189SC..Hα-helixtrans-64.8-39.3176.5-76.1177.4000112.7N28 A31 L64 I65 P66 F71 S72N28-L68 HydrophobicContact CB-CB 4.34Å; N28-L68 PolarHBondContact ND2-O 2.8Å; N28-L68 WeakPolarHBondContact OD1-CB 3.35Å; A31-L68 HydrophobicContact CB-CD1 3.77Å; L64-L68 HydrophobicContact CD1-CD1 3.95Å; L64-L68 HydrophobicContact CD1-CG 4.21Å; L64-L68 HydrophobicContact CG-CD1 3.98Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 2.7Å; I65-L68 PolarHBondContact O-N 3.25Å; P66-L68 PolarHBondContact O-N 3.32Å; L68-F71 PolarHBondContact O-N 2.84Å; L68-S72 WeakPolarHBondContact O-CB 3.18Å; L68-S72 PolarHBondContact O-N 3.48Å; L68-S72 PolarHBondContact O-OG 3.41Å
69I90.7Very high92.2Very high2 Ų240 Ų401%0.0120%0.197CC..Hα-helixtrans-65.2-47.4175.2-69.5170.9000110.4M24 F32 I65 P66 F71 S72 G73 L103 A106 M107M24-I69 HydrophobicContact CB-CG2 4.38Å; M24-I69 HydrophobicContact CE-CG2 3.78Å; M24-I69 WeakPolarHBondContact CE-O 3.16Å; F32-I69 HydrophobicContact CE2-CD1 4.15Å; F32-I69 HydrophobicContact CZ-CD1 3.96Å; I65-I69 HydrophobicContact CG2-CD1 4.01Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 3.36Å; P66-I69 PolarHBondContact O-N 3.19Å; I69-F71 VanDerWaalsContact C-N 3.33Å; I69-F71 PolarHBondContact O-N 3Å; I69-S72 PolarHBondContact O-N 2.64Å; I69-G73 PolarHBondContact O-N 3.32Å; I69-L103 HydrophobicContact CD1-CD2 3.62Å; I69-A106 HydrophobicContact CB-CB 4.31Å; I69-A106 HydrophobicContact CG2-CB 4.2Å; I69-M107 HydrophobicContact CG2-CG 3.73Å
70A95.6Very high92.2Very high0 Ų041.1 Ų41.10%020%0.198CC..Hα-helixtrans-60.5-44.917700000111.5P66 L67 S72 G73 G74 A86 T90 A106 G110P66-A70 WeakPolarHBondContact O-CB 3.34Å; P66-A70 PolarHBondContact O-N 3.19Å; L67-A70 PolarHBondContact O-N 2.82Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.23Å; A70-G73 PolarHBondContact O-N 3.4Å; A70-G74 PolarHBondContact O-N 3.06Å; A70-A86 WeakPolarHBondContact O-CB 3.31Å; A70-T90 HydrophobicContact CB-CG2 3.96Å; A70-T90 WeakPolarHBondContact CB-OG1 3.28Å; A70-A106 HydrophobicContact CB-CB 4.03Å; A70-G110 VanDerWaalsContact O-CA 3.26Å; A70-G110 WeakPolarHBondContact O-CA 3.04Å
71F97.2Very high92.3Very high53 Ų5342.2 Ų42.223%0.23220%0.201CC..Hα-helixtrans-56.9-46.5174.7179.8-89.4000111.6L67 L68 I69 G74 R75 L80 G83 I84 A87L67-F71 VanDerWaalsContact O-CB 3.27Å; L67-F71 WeakPolarHBondContact O-CB 3.41Å; L67-F71 PolarHBondContact O-N 3.45Å; L68-F71 PolarHBondContact O-N 2.84Å; I69-F71 VanDerWaalsContact C-N 3.33Å; I69-F71 PolarHBondContact O-N 3Å; F71-G74 PolarHBondContact O-N 3.18Å; F71-R75 WeakPolarHBondContact O-CB 3.49Å; F71-R75 PolarHBondContact O-N 3.2Å; F71-L80 HydrophobicContact CE2-CD1 4.17Å; F71-L80 HydrophobicContact CZ-CD1 3.62Å; F71-G83 WeakPolarHBondContact CA-O 3.5Å; F71-G83 WeakPolarHBondContact CD2-O 3.4Å; F71-G83 WeakPolarHBondContact O-CA 3.26Å; F71-I84 HydrophobicContact CD2-CG1 4.49Å; F71-I84 HydrophobicContact CE2-CG1 3.85Å; F71-A87 HydrophobicContact CB-CB 4.21Å
72S92.9Very high92.9Very high13 Ų1341.3 Ų41.39%0.09120%0.197CC..Hα-helixtrans-64.2-43.3179.1-59.20000111.5N28 L68 I69 A70 R75 L76N28-S72 PolarHBondContact ND2-OG 2.91Å; L68-S72 WeakPolarHBondContact O-CB 3.18Å; L68-S72 PolarHBondContact O-N 3.48Å; L68-S72 PolarHBondContact O-OG 3.41Å; I69-S72 PolarHBondContact O-N 2.64Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.23Å; S72-R75 PolarHBondContact O-N 2.91Å; S72-L76 WeakPolarHBondContact O-CD1 3.37Å; S72-L76 VanDerWaalsContact O-CG 3.23Å; S72-L76 WeakPolarHBondContact O-CG 3.27Å; S72-L76 PolarHBondContact O-N 3.38Å
73G92.7Very high93.4Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-61-46174.400000113.4I69 A70 R75 L76 I77I69-G73 PolarHBondContact O-N 3.32Å; A70-G73 PolarHBondContact O-N 3.4Å; G73-R75 VanDerWaalsContact C-N 3.33Å; G73-R75 PolarHBondContact O-N 2.93Å; G73-L76 PolarHBondContact O-N 3.31Å; G73-I77 PolarHBondContact O-N 3.42Å
74G96Very high93.6Very high0 Ų040.2 Ų40.20%020%0.195CC..Hα-helixtrans-64.2-39.6176.400000112.1A70 F71 L76 I77 Y78 G110A70-G74 PolarHBondContact O-N 3.06Å; F71-G74 PolarHBondContact O-N 3.18Å; G74-L76 PolarHBondContact O-N 2.86Å; G74-I77 PolarHBondContact O-N 3Å; G74-Y78 PolarHBondContact O-N 2.94Å; G74-G110 WeakPolarHBondContact CA-O 3.2Å; G74-G110 PolarHBondContact N-O 3.04Å
75R95.6Very high93.7Very high102 Ų10237.5 Ų37.539%0.38518%0.181SC..Hα-helixtrans-65.8-35.6177.9-173.2177.7-179.4-167.1-3113.4F71 S72 G73 I77 D79F71-R75 WeakPolarHBondContact O-CB 3.49Å; F71-R75 PolarHBondContact O-N 3.2Å; S72-R75 PolarHBondContact O-N 2.91Å; G73-R75 VanDerWaalsContact C-N 3.33Å; G73-R75 PolarHBondContact O-N 2.93Å; R75-I77 PolarHBondContact O-N 3.1Å; R75-D79 VanDerWaalsContact CA-O 3.23Å; R75-D79 WeakPolarHBondContact CA-O 3.29Å; R75-D79 IonicContact NE-OD1 3.54Å; R75-D79 VanDerWaalsContact O-CA 3.22Å; R75-D79 WeakPolarHBondContact O-CA 3.33Å; R75-D79 PolarHBondContact O-N 3.34Å
76L91.4Very high94.1Very high65 Ų6537.4 Ų37.434%0.3418%0.18SC..Hα-helixtrans-64.8-29.3175.4-72.7163.4000112.8F20 S23 M24 S72 G73 G74F20-L76 HydrophobicContact CE2-CB 4.07Å; F20-L76 HydrophobicContact CE2-CD1 4.29Å; S23-L76 WeakPolarHBondContact OG-CD1 3.5Å; M24-L76 HydrophobicContact CG-CD1 3.75Å; S72-L76 WeakPolarHBondContact O-CD1 3.37Å; S72-L76 VanDerWaalsContact O-CG 3.23Å; S72-L76 WeakPolarHBondContact O-CG 3.27Å; S72-L76 PolarHBondContact O-N 3.38Å; G73-L76 PolarHBondContact O-N 3.31Å; G74-L76 PolarHBondContact O-N 2.86Å
77I92.4Very high94.4Very high51 Ų5138.3 Ų38.326%0.26219%0.187SC..Hα-helixtrans-89.7-41.3-179.7-57.7-60.4000112.4F20 G73 G74 R75 P111 W115F20-I77 HydrophobicContact CE2-CD1 3.85Å; F20-I77 HydrophobicContact CZ-CD1 3.9Å; F20-I77 HydrophobicContact CZ-CG1 4.33Å; G73-I77 PolarHBondContact O-N 3.42Å; G74-I77 PolarHBondContact O-N 3Å; R75-I77 PolarHBondContact O-N 3.1Å; I77-P111 HydrophobicContact CG1-CB 4.16Å; I77-W115 HydrophobicContact CG2-CB 3.98Å
78Y92.6Very high94.4Very high59 Ų5939.2 Ų39.223%0.23120%0.195CC..Hα-helixtrans-150.243.6-172-159-119.9000114.1G74 G82 G114 M117 K118 D121G74-Y78 PolarHBondContact O-N 2.94Å; Y78-G82 PolarHBondContact O-N 3.46Å; Y78-G114 WeakPolarHBondContact CB-O 3.28Å; Y78-M117 HydrophobicContact CD1-CB 4.19Å; Y78-M117 HydrophobicContact CD1-CG 3.85Å; Y78-M117 HydrophobicContact CE1-CG 4.23Å; Y78-K118 HydrophobicContact CD1-CB 4.16Å; Y78-K118 HydrophobicContact CD2-CB 3.5Å; Y78-K118 HydrophobicContact CD2-CD 3.82Å; Y78-K118 HydrophobicContact CD2-CG 3.48Å; Y78-K118 VanDerWaalsContact CD2-CG 3.48Å; Y78-K118 HydrophobicContact CE2-CB 4.02Å; Y78-K118 HydrophobicContact CE2-CD 4.4Å; Y78-K118 HydrophobicContact CE2-CG 3.74Å; Y78-K118 HydrophobicContact CG-CB 3.59Å; Y78-K118 HydrophobicContact CG-CG 4.13Å; Y78-D121 HydrophobicContact CE1-CB 3.99Å; Y78-D121 WeakPolarHBondContact CE1-OD2 3.41Å; Y78-D121 WeakPolarHBondContact OH-CB 3.23Å; Y78-D121 PolarHBondContact OH-OD2 2.89Å
79D90.6Very high94.5Very high101 Ų10136.7 Ų36.754%0.5418%0.182SC..Hα-helixtrans48.2-156.8173.8-1571.9000113.7R75 R81 G82 G83R75-D79 VanDerWaalsContact CA-O 3.23Å; R75-D79 WeakPolarHBondContact CA-O 3.29Å; R75-D79 IonicContact NE-OD1 3.54Å; R75-D79 VanDerWaalsContact O-CA 3.22Å; R75-D79 WeakPolarHBondContact O-CA 3.33Å; R75-D79 PolarHBondContact O-N 3.34Å; D79-R81 PolarHBondContact O-N 3.14Å; D79-R81 VanDerWaalsContact O-N 3.1Å; D79-G82 PolarHBondContact O-N 3.35Å; D79-G82 VanDerWaalsContact O-N 3.08Å; D79-G83 PolarHBondContact O-N 2.83Å
80L92.1Very high94.8Very high92 Ų9236.6 Ų36.648%0.48218%0.182SC..Hα-helixtrans-51.7-41-171.4-167.272.1000113F71 G83 I84F71-L80 HydrophobicContact CE2-CD1 4.17Å; F71-L80 HydrophobicContact CZ-CD1 3.62Å; L80-G83 PolarHBondContact O-N 2.82Å; L80-I84 HydrophobicContact CD2-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 HydrophobicContact CG-CG1 4.47Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.36Å
81R91.5Very high94.8Very high51 Ų5140 Ų4019%0.19220%0.198CC..Hα-helixtrans-65.3-45.2-179.3-167.8172.6177.3-175-8.8112D79 G83 I85 M117 D121 N137 S140D79-R81 PolarHBondContact O-N 3.14Å; D79-R81 VanDerWaalsContact O-N 3.1Å; R81-G83 VanDerWaalsContact C-N 3.29Å; R81-G83 PolarHBondContact O-N 3Å; R81-I85 WeakPolarHBondContact O-CG1 3.24Å; R81-I85 PolarHBondContact O-N 2.92Å; R81-M117 HydrophobicContact CG-CG 4.04Å; R81-M117 HydrophobicContact CG-SD 4.21Å; R81-D121 VanDerWaalsContact CZ-CG 3.42Å; R81-D121 IonicContact CZ-OD1 2.98Å; R81-D121 IonicContact CZ-OD2 3.05Å; R81-D121 IonicContact NE-OD1 3.84Å; R81-D121 IonicContact NE-OD2 3.49Å; R81-D121 PolarHBondContact NE-OD2 3.4Å; R81-D121 IonicContact NH1-OD1 3Å; R81-D121 PolarHBondContact NH1-OD1 2.95Å; R81-D121 IonicContact NH1-OD2 2.63Å; R81-D121 PolarHBondContact NH1-OD2 2.8Å; R81-D121 IonicContact NH2-OD1 2.71Å; R81-D121 PolarHBondContact NH2-OD1 3.41Å; R81-D121 IonicContact NH2-OD2 3.65Å; R81-N137 VanDerWaalsContact NH1-CG 3.26Å; R81-N137 PolarHBondContact NH1-OD1 3.47Å; R81-N137 VanDerWaalsContact NH2-C 3.35Å; R81-N137 PolarHBondContact NH2-O 2.63Å; R81-S140 PolarHBondContact NH2-OG 3.43Å
82G94.9Very high94.6Very high0 Ų037.6 Ų37.60%019%0.188CC..Hα-helixtrans-60.1-40.8173.100000112Y78 D79 A86Y78-G82 PolarHBondContact O-N 3.46Å; D79-G82 PolarHBondContact O-N 3.35Å; D79-G82 VanDerWaalsContact O-N 3.08Å; G82-A86 WeakPolarHBondContact O-CB 3.46Å; G82-A86 PolarHBondContact O-N 3.4Å
83G96.2Very high94.5Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-64.6-48.2178.400000113.8F71 D79 L80 R81 I85 A86 A87F71-G83 WeakPolarHBondContact CA-O 3.5Å; F71-G83 WeakPolarHBondContact CD2-O 3.4Å; F71-G83 WeakPolarHBondContact O-CA 3.26Å; D79-G83 PolarHBondContact O-N 2.83Å; L80-G83 PolarHBondContact O-N 2.82Å; R81-G83 VanDerWaalsContact C-N 3.29Å; R81-G83 PolarHBondContact O-N 3Å; G83-I85 PolarHBondContact O-N 2.94Å; G83-A86 PolarHBondContact O-N 3.36Å; G83-A87 PolarHBondContact O-N 3.46Å
84I96.4Very high94.5Very high82 Ų8237 Ų3742%0.42118%0.184SC..Hα-helixtrans-60-50.4-179.5-67.5169000110.3F71 L80 A86 A87 T88F71-I84 HydrophobicContact CD2-CG1 4.49Å; F71-I84 HydrophobicContact CE2-CG1 3.85Å; L80-I84 HydrophobicContact CD2-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 HydrophobicContact CG-CG1 4.47Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.36Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 2.96Å; I84-A87 PolarHBondContact O-N 3.13Å; I84-T88 PolarHBondContact O-N 3.1Å; I84-T88 PolarHBondContact O-OG1 2.89Å; I84-T88 VanDerWaalsContact O-OG1 3.08Å
85I97.4Very high94.3Very high15 Ų1540.2 Ų40.28%0.07720%0.204CC..Hα-helixtrans-69.1-34.3-176.8-56.5-51.7000111.4R81 G83 T88 A89 V113 M117 A141 L144R81-I85 WeakPolarHBondContact O-CG1 3.24Å; R81-I85 PolarHBondContact O-N 2.92Å; G83-I85 PolarHBondContact O-N 2.94Å; I85-T88 PolarHBondContact O-N 3.35Å; I85-A89 VanDerWaalsContact O-CB 3.28Å; I85-A89 WeakPolarHBondContact O-CB 3.17Å; I85-A89 PolarHBondContact O-N 2.67Å; I85-V113 HydrophobicContact CB-CG1 4.16Å; I85-V113 HydrophobicContact CG2-CG1 3.66Å; I85-M117 HydrophobicContact CG1-SD 3.99Å; I85-A141 HydrophobicContact CD1-CB 3.76Å; I85-A141 WeakPolarHBondContact CD1-O 3.18Å; I85-A141 HydrophobicContact CG1-CB 3.91Å; I85-L144 HydrophobicContact CG2-CD2 4.42Å; I85-L144 HydrophobicContact CG2-CG 4.43Å
86A97.6Very high94Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-59.7-45.4170.800000112.8A70 G82 G83 I84 A89 T90 V113A70-A86 WeakPolarHBondContact O-CB 3.31Å; G82-A86 WeakPolarHBondContact O-CB 3.46Å; G82-A86 PolarHBondContact O-N 3.4Å; G83-A86 PolarHBondContact O-N 3.36Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 2.96Å; A86-A89 PolarHBondContact O-N 3.48Å; A86-T90 WeakPolarHBondContact O-CB 3.37Å; A86-T90 PolarHBondContact O-N 2.88Å; A86-T90 PolarHBondContact O-OG1 3.06Å; A86-V113 HydrophobicContact CB-CB 4.11Å; A86-V113 HydrophobicContact CB-CG1 4.28Å
87A97.4Very high93.6Very high18 Ų1834.9 Ų34.915%0.14919%0.187CC..Hα-helixtrans-62.6-47175.900000111.1L67 F71 G83 I84 A89 T90 M91L67-A87 HydrophobicContact CD2-CB 4.33Å; L67-A87 WeakPolarHBondContact CD2-O 3.42Å; F71-A87 HydrophobicContact CB-CB 4.21Å; G83-A87 PolarHBondContact O-N 3.46Å; I84-A87 PolarHBondContact O-N 3.13Å; A87-A89 PolarHBondContact O-N 3.25Å; A87-T90 PolarHBondContact O-N 2.93Å; A87-M91 PolarHBondContact O-N 3.35Å
88T96.8Very high92.9Very high67 Ų6735.7 Ų35.741%0.41120%0.196SC..Hα-helixtrans-55.1-49.6175.9-55.60000111.8I84 I85 T90 M91 T149I84-T88 PolarHBondContact O-N 3.1Å; I84-T88 PolarHBondContact O-OG1 2.89Å; I84-T88 VanDerWaalsContact O-OG1 3.08Å; I85-T88 PolarHBondContact O-N 3.35Å; T88-T90 VanDerWaalsContact C-N 3.32Å; T88-T90 PolarHBondContact O-N 3.14Å; T88-M91 VanDerWaalsContact O-CB 3.24Å; T88-M91 WeakPolarHBondContact O-CB 3.35Å; T88-M91 PolarHBondContact O-N 2.89Å; T88-T149 PolarHBondContact O-OG1 3.41Å
89A96.9Very high91.7Very high0 Ų039.5 Ų39.50%022%0.22CC..Hα-helixtrans-65.7-34.4-178.700000113I85 A86 A87 M91 G92 M109 V113 M148 T149I85-A89 VanDerWaalsContact O-CB 3.28Å; I85-A89 WeakPolarHBondContact O-CB 3.17Å; I85-A89 PolarHBondContact O-N 2.67Å; A86-A89 PolarHBondContact O-N 3.48Å; A87-A89 PolarHBondContact O-N 3.25Å; A89-M91 PolarHBondContact O-N 3.45Å; A89-G92 PolarHBondContact O-N 3.46Å; A89-G92 VanDerWaalsContact O-N 3.1Å; A89-M109 HydrophobicContact CB-CE 3.41Å; A89-M109 VanDerWaalsContact CB-CE 3.41Å; A89-M109 WeakPolarHBondContact O-CE 3.18Å; A89-V113 HydrophobicContact CB-CG1 4.23Å; A89-V113 HydrophobicContact CB-CG2 3.78Å; A89-M148 HydrophobicContact CB-CB 3.56Å; A89-T149 WeakPolarHBondContact CA-OG1 3.32Å
90T95.5Very high90.7Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-64.5-25.9178.5-60.30000112.3A70 A86 A87 T88 G92 V93 I94 A106 M109A70-T90 HydrophobicContact CB-CG2 3.96Å; A70-T90 WeakPolarHBondContact CB-OG1 3.28Å; A86-T90 WeakPolarHBondContact O-CB 3.37Å; A86-T90 PolarHBondContact O-N 2.88Å; A86-T90 PolarHBondContact O-OG1 3.06Å; A87-T90 PolarHBondContact O-N 2.93Å; T88-T90 VanDerWaalsContact C-N 3.32Å; T88-T90 PolarHBondContact O-N 3.14Å; T90-G92 PolarHBondContact O-N 3.35Å; T90-V93 PolarHBondContact O-N 3.45Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 4.18Å; T90-I94 WeakPolarHBondContact O-CG1 3.34Å; T90-I94 PolarHBondContact O-N 3.34Å; T90-A106 HydrophobicContact CG2-CB 3.82Å; T90-M109 VanDerWaalsContact OG1-CB 3.27Å; T90-M109 WeakPolarHBondContact OG1-CB 3.46Å
91M96.1Very high89.8Confident70 Ų7031.9 Ų31.935%0.34518%0.181SC..Hα-helixtrans-55.8-34.6173.1-165.261.6177.900112.2Y63 A87 T88 A89 V93 I94 V95Y63-M91 HydrophobicContact CD1-CE 3.83Å; Y63-M91 HydrophobicContact CD1-SD 3.99Å; Y63-M91 HydrophobicContact CE1-CE 3.65Å; Y63-M91 HydrophobicContact CE1-SD 4.26Å; A87-M91 PolarHBondContact O-N 3.35Å; T88-M91 VanDerWaalsContact O-CB 3.24Å; T88-M91 WeakPolarHBondContact O-CB 3.35Å; T88-M91 PolarHBondContact O-N 2.89Å; A89-M91 PolarHBondContact O-N 3.45Å; M91-V93 VanDerWaalsContact C-N 3.29Å; M91-V93 PolarHBondContact O-N 2.95Å; M91-I94 PolarHBondContact O-N 3.28Å; M91-V95 HydrophobicContact CE-CG2 3.51Å; M91-V95 HydrophobicContact CG-CG2 3.94Å; M91-V95 WeakPolarHBondContact O-CB 3.07Å; M91-V95 VanDerWaalsContact O-CG2 3.26Å; M91-V95 WeakPolarHBondContact O-CG2 3.34Å; M91-V95 PolarHBondContact O-N 3.3Å; M91-V95 HydrophobicContact SD-CG2 3.99Å
92G94.6Very high89.4Confident3 Ų329.7 Ų29.73%0.03117%0.173CC..Hα-helixtrans-59.9-39.4175.900000113A89 T90 A96 T149 F153A89-G92 PolarHBondContact O-N 3.46Å; A89-G92 VanDerWaalsContact O-N 3.1Å; T90-G92 PolarHBondContact O-N 3.35Å; G92-A96 WeakPolarHBondContact O-CB 3.39Å; G92-A96 PolarHBondContact O-N 3.44Å; G92-T149 WeakPolarHBondContact CA-O 3.14Å; G92-F153 VanDerWaalsContact O-CA 3.22Å; G92-F153 WeakPolarHBondContact O-CA 3.5Å; G92-F153 WeakPolarHBondContact O-CB 3.1Å; G92-F153 WeakPolarHBondContact O-CD2 3.32Å
93V90.5Very high88.9Confident0 Ų029.8 Ų29.80%017%0.174CC..Hα-helixtrans-74.5-43.2178.3-169.20000111T90 M91 A96 L97 M102 M109 L156 A157 M160T90-V93 PolarHBondContact O-N 3.45Å; M91-V93 VanDerWaalsContact C-N 3.29Å; M91-V93 PolarHBondContact O-N 2.95Å; V93-A96 PolarHBondContact O-N 3.22Å; V93-L97 PolarHBondContact O-N 3.32Å; V93-M102 HydrophobicContact CG1-CB 4.26Å; V93-M102 HydrophobicContact CG1-CG 4Å; V93-M102 HydrophobicContact CG1-SD 3.83Å; V93-M109 HydrophobicContact CG2-CG 3.78Å; V93-M109 HydrophobicContact CG2-SD 4.3Å; V93-L156 HydrophobicContact CG2-CB 4.25Å; V93-L156 HydrophobicContact CG2-CD2 3.82Å; V93-L156 HydrophobicContact CG2-CG 4.29Å; V93-A157 HydrophobicContact CG1-CB 4.42Å; V93-M160 HydrophobicContact CG1-CG 4.35Å
94I91.1Very high88.1Confident0 Ų031.8 Ų31.80%018%0.184CC..Hα-helixtrans-60.7-50.3179.8-64.3165000110.7T62 Y63 P66 L67 T90 M91 A96 L97 M102T62-I94 HydrophobicContact CG2-CG2 3.97Å; T62-I94 VanDerWaalsContact O-CG2 3.25Å; T62-I94 WeakPolarHBondContact O-CG2 3.38Å; Y63-I94 HydrophobicContact CD1-CG2 3.58Å; Y63-I94 HydrophobicContact CE1-CG2 3.6Å; Y63-I94 HydrophobicContact CG-CG2 4.47Å; P66-I94 HydrophobicContact CB-CD1 3.92Å; P66-I94 HydrophobicContact CB-CG1 4.27Å; L67-I94 HydrophobicContact CD2-CD1 3.86Å; L67-I94 HydrophobicContact CG-CD1 3.88Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 4.18Å; T90-I94 WeakPolarHBondContact O-CG1 3.34Å; T90-I94 PolarHBondContact O-N 3.34Å; M91-I94 PolarHBondContact O-N 3.28Å; I94-A96 VanDerWaalsContact C-N 3.27Å; I94-A96 PolarHBondContact O-N 2.97Å; I94-L97 CarbonylContact O-C 3.46Å; I94-L97 VanDerWaalsContact O-C 3.29Å; I94-L97 PolarHBondContact O-N 2.83Å; I94-L97 VanDerWaalsContact O-N 3.16Å; I94-M102 HydrophobicContact CG1-CB 4.04Å
95V92.6Very high87.7Confident69 Ų6927.9 Ų27.942%0.41816%0.164SC..Hα-helixtrans-68-29-176.8176.20000112.1M91 L97 F153M91-V95 HydrophobicContact CE-CG2 3.51Å; M91-V95 HydrophobicContact CG-CG2 3.94Å; M91-V95 WeakPolarHBondContact O-CB 3.07Å; M91-V95 VanDerWaalsContact O-CG2 3.26Å; M91-V95 WeakPolarHBondContact O-CG2 3.34Å; M91-V95 PolarHBondContact O-N 3.3Å; M91-V95 HydrophobicContact SD-CG2 3.99Å; V95-L97 PolarHBondContact O-N 3.33Å; V95-F153 HydrophobicContact CG1-CE2 4.2Å
96A89.8Confident87.4Confident27 Ų2727.2 Ų27.222%0.22316%0.161CC..Hα-helixtrans-69.2-21.3176.600000113.4G92 V93 I94 F153 A157G92-A96 WeakPolarHBondContact O-CB 3.39Å; G92-A96 PolarHBondContact O-N 3.44Å; V93-A96 PolarHBondContact O-N 3.22Å; I94-A96 VanDerWaalsContact C-N 3.27Å; I94-A96 PolarHBondContact O-N 2.97Å; A96-F153 HydrophobicContact CB-CD2 3.61Å; A96-F153 HydrophobicContact CB-CE2 3.82Å; A96-F153 HydrophobicContact CB-CG 3.98Å; A96-F153 HydrophobicContact CB-CZ 4.35Å; A96-A157 HydrophobicContact CB-CB 3.27Å
97L82.6Confident86.9Confident28 Ų2827.8 Ų27.815%0.14716%0.164CC..SBendtrans-138.770-177.1-63.6171.1000110.9V93 I94 V95 D99 T100 M102 A157 M160 K161V93-L97 PolarHBondContact O-N 3.32Å; I94-L97 CarbonylContact O-C 3.46Å; I94-L97 VanDerWaalsContact O-C 3.29Å; I94-L97 PolarHBondContact O-N 2.83Å; I94-L97 VanDerWaalsContact O-N 3.16Å; V95-L97 PolarHBondContact O-N 3.33Å; L97-D99 VanDerWaalsContact C-N 3.27Å; L97-D99 PolarHBondContact O-N 3.37Å; L97-T100 VanDerWaalsContact CB-OG1 3.24Å; L97-T100 WeakPolarHBondContact CB-OG1 3.41Å; L97-T100 PolarHBondContact O-N 3.34Å; L97-T100 PolarHBondContact O-OG1 2.83Å; L97-M102 HydrophobicContact CB-CE 4.23Å; L97-M102 HydrophobicContact CB-CG 4.42Å; L97-M102 HydrophobicContact CB-SD 4.11Å; L97-M102 HydrophobicContact CD1-CE 3.92Å; L97-M102 HydrophobicContact CD1-SD 3.54Å; L97-M102 VanDerWaalsContact CD1-SD 3.54Å; L97-M102 HydrophobicContact CG-SD 4.43Å; L97-A157 HydrophobicContact CD1-CB 4.13Å; L97-A157 WeakPolarHBondContact CD1-O 2.75Å; L97-A157 HydrophobicContact CG-CB 4.23Å; L97-M160 HydrophobicContact CD1-CB 4.36Å; L97-K161 HydrophobicContact CD1-CB 4.28Å; L97-K161 HydrophobicContact CD2-CB 4.25Å; L97-K161 HydrophobicContact CD2-CD 4.14Å; L97-K161 HydrophobicContact CD2-CG 4.45Å
98P78.1Confident86.6Confident68 Ų6830 Ų3044%0.44217%0.172SC..THydrogen-bonded Turntrans-64.3-26.7-168.625.7-35.2000114.4T100P98-T100 VanDerWaalsContact C-N 3.3Å; P98-T100 PolarHBondContact O-N 3.48Å
99D67.9Low86.4Confident139 Ų13927 Ų2774%0.74315%0.153SC*.THydrogen-bonded Turntrans-86.80.6-175.5-54.5-49.5000113.6L97L97-D99 VanDerWaalsContact C-N 3.27Å; L97-D99 PolarHBondContact O-N 3.37Å
100T68.9Low86.3Confident28 Ų2827 Ų2717%0.17215%0.153CC..SBendtrans-131.6123.4-171.552.10000110.2L97 P98 M102 D210L97-T100 VanDerWaalsContact CB-OG1 3.24Å; L97-T100 WeakPolarHBondContact CB-OG1 3.41Å; L97-T100 PolarHBondContact O-N 3.34Å; L97-T100 PolarHBondContact O-OG1 2.83Å; P98-T100 VanDerWaalsContact C-N 3.3Å; P98-T100 PolarHBondContact O-N 3.48Å; T100-M102 VanDerWaalsContact CB-CE 3.48Å; T100-M102 PolarHBondContact O-N 3.01Å; T100-M102 WeakPolarHBondContact OG1-CE 3.08Å; T100-D210 WeakPolarHBondContact CG2-OD1 3.21Å
101P73.4Confident86.3Confident4 Ų428 Ų283%0.02616%0.16CC..  trans-61.3109.4173.8-25.836.1000111.7I61 L103 A209I61-P101 HydrophobicContact CG1-CB 4.02Å; I61-P101 HydrophobicContact CG1-CG 3.84Å; I61-P101 HydrophobicContact CG2-CG 4.34Å; P101-L103 HydrophobicContact CB-CG 4.38Å; P101-L103 PolarHBondContact O-N 3.3Å; P101-A209 HydrophobicContact CB-CB 4.39Å; P101-A209 HydrophobicContact CG-CB 4.27Å
102M83.8Confident86.3Confident5 Ų528 Ų283%0.02516%0.161CC..  trans-79.447.4-175.2-71.4-66.297.800113.6V93 I94 L97 T100 G105 A106 M160V93-M102 HydrophobicContact CG1-CB 4.26Å; V93-M102 HydrophobicContact CG1-CG 4Å; V93-M102 HydrophobicContact CG1-SD 3.83Å; I94-M102 HydrophobicContact CG1-CB 4.04Å; L97-M102 HydrophobicContact CB-CE 4.23Å; L97-M102 HydrophobicContact CB-CG 4.42Å; L97-M102 HydrophobicContact CB-SD 4.11Å; L97-M102 HydrophobicContact CD1-CE 3.92Å; L97-M102 HydrophobicContact CD1-SD 3.54Å; L97-M102 VanDerWaalsContact CD1-SD 3.54Å; L97-M102 HydrophobicContact CG-SD 4.43Å; T100-M102 VanDerWaalsContact CB-CE 3.48Å; T100-M102 PolarHBondContact O-N 3.01Å; T100-M102 WeakPolarHBondContact OG1-CE 3.08Å; M102-G105 PolarHBondContact O-N 3.22Å; M102-A106 WeakPolarHBondContact O-CB 3.39Å; M102-A106 PolarHBondContact O-N 3.48Å; M102-M160 HydrophobicContact SD-CB 4.31Å
103L83.2Confident86.4Confident3 Ų327.9 Ų27.92%0.01616%0.16CC..Hα-helixtrans-63.2-46.3178.7-60.8176.1000111.5F32 I65 P66 I69 P101 G105 A106 M107 T205 P206 A209F32-L103 HydrophobicContact CE1-CD1 4.43Å; F32-L103 HydrophobicContact CZ-CD2 4.39Å; I65-L103 HydrophobicContact CB-CD2 4.39Å; I65-L103 HydrophobicContact CG2-CD2 3.52Å; P66-L103 HydrophobicContact CB-CD2 4.43Å; P66-L103 HydrophobicContact CG-CD2 3.78Å; I69-L103 HydrophobicContact CD1-CD2 3.62Å; P101-L103 HydrophobicContact CB-CG 4.38Å; P101-L103 PolarHBondContact O-N 3.3Å; L103-G105 VanDerWaalsContact C-N 3.33Å; L103-G105 PolarHBondContact O-N 3.5Å; L103-A106 WeakPolarHBondContact O-CB 3.5Å; L103-A106 PolarHBondContact O-N 3.37Å; L103-M107 VanDerWaalsContact O-CG 3.28Å; L103-M107 WeakPolarHBondContact O-CG 3.05Å; L103-M107 PolarHBondContact O-N 2.98Å; L103-T205 HydrophobicContact CD1-CG2 4.45Å; L103-P206 HydrophobicContact CB-CB 4.25Å; L103-P206 HydrophobicContact CB-CG 4.21Å; L103-A209 HydrophobicContact CD1-CB 4.37Å
104L80.4Confident86.7Confident41 Ų4127.9 Ų27.922%0.21516%0.16CC..Hα-helixtrans-64.1-40.4176.5-174.763.6000111.5A106 M107 I108 M160 I163 M164L104-A106 PolarHBondContact O-N 3.46Å; L104-M107 PolarHBondContact O-N 3.24Å; L104-I108 HydrophobicContact CG-CD1 4.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å; L104-I108 PolarHBondContact O-N 3.2Å; L104-I108 VanDerWaalsContact O-N 3.14Å; L104-M160 HydrophobicContact CD2-SD 4.21Å; L104-M160 HydrophobicContact CG-SD 4.12Å; L104-I163 HydrophobicContact CD2-CG2 4.09Å; L104-M164 HydrophobicContact CD2-SD 4.37Å
105G86.7Confident87Confident1 Ų134.1 Ų34.11%0.0118%0.184CC..Hα-helixtrans-59.3-45.2174.100000112.1M102 L103 M107 I108 M109M102-G105 PolarHBondContact O-N 3.22Å; L103-G105 VanDerWaalsContact C-N 3.33Å; L103-G105 PolarHBondContact O-N 3.5Å; G105-M107 VanDerWaalsContact C-N 3.34Å; G105-M107 PolarHBondContact O-N 3.26Å; G105-I108 PolarHBondContact O-N 3.07Å; G105-M109 WeakPolarHBondContact O-CB 3.31Å; G105-M109 WeakPolarHBondContact O-CG 3.3Å; G105-M109 PolarHBondContact O-N 3.39Å
106A90.9Very high87.3Confident0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-62.5-38.3174.600000112.7P66 I69 A70 T90 M102 L103 L104 I108 M109 G110P66-A106 HydrophobicContact CB-CB 4.08Å; P66-A106 WeakPolarHBondContact O-CB 3.39Å; I69-A106 HydrophobicContact CB-CB 4.31Å; I69-A106 HydrophobicContact CG2-CB 4.2Å; A70-A106 HydrophobicContact CB-CB 4.03Å; T90-A106 HydrophobicContact CG2-CB 3.82Å; M102-A106 WeakPolarHBondContact O-CB 3.39Å; M102-A106 PolarHBondContact O-N 3.48Å; L103-A106 WeakPolarHBondContact O-CB 3.5Å; L103-A106 PolarHBondContact O-N 3.37Å; L104-A106 PolarHBondContact O-N 3.46Å; A106-I108 VanDerWaalsContact C-N 3.25Å; A106-I108 PolarHBondContact O-N 2.93Å; A106-M109 PolarHBondContact O-N 3.28Å; A106-G110 PolarHBondContact O-N 3.29Å
107M87.6Confident87.6Confident13 Ų1331.6 Ų31.66%0.06416%0.164CC..Hα-helixtrans-65.1-29.1177.3-71.1172.773.600113L21 M24 I25 I69 L103 L104 G105 P111L21-M107 HydrophobicContact CB-CE 3.9Å; L21-M107 HydrophobicContact CD1-CE 3.68Å; L21-M107 HydrophobicContact CD2-CE 3.53Å; L21-M107 HydrophobicContact CG-CE 3.88Å; M24-M107 HydrophobicContact CE-CB 4.3Å; M24-M107 HydrophobicContact CE-CG 4.27Å; I25-M107 HydrophobicContact CD1-CE 4.11Å; I25-M107 HydrophobicContact CD1-SD 4.22Å; I69-M107 HydrophobicContact CG2-CG 3.73Å; L103-M107 VanDerWaalsContact O-CG 3.28Å; L103-M107 WeakPolarHBondContact O-CG 3.05Å; L103-M107 PolarHBondContact O-N 2.98Å; L104-M107 PolarHBondContact O-N 3.24Å; G105-M107 VanDerWaalsContact C-N 3.34Å; G105-M107 PolarHBondContact O-N 3.26Å; M107-P111 WeakPolarHBondContact O-CD 3.03Å; M107-P111 WeakPolarHBondContact O-CG 3.38Å
108I90.5Very high88.2Confident65 Ų6534.1 Ų34.133%0.33317%0.174SC..Hα-helixtrans-83-48.1174-64.3167.2000110.6L104 G105 A106 G110 L112 L156 M160L104-I108 HydrophobicContact CG-CD1 4.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å; L104-I108 PolarHBondContact O-N 3.2Å; L104-I108 VanDerWaalsContact O-N 3.14Å; G105-I108 PolarHBondContact O-N 3.07Å; A106-I108 VanDerWaalsContact C-N 3.25Å; A106-I108 PolarHBondContact O-N 2.93Å; I108-G110 PolarHBondContact O-N 2.82Å; I108-L112 WeakPolarHBondContact O-CB 3.26Å; I108-L112 PolarHBondContact O-N 3.34Å; I108-L156 HydrophobicContact CB-CD2 4.5Å; I108-L156 HydrophobicContact CG2-CD1 4.24Å; I108-L156 HydrophobicContact CG2-CD2 4.2Å; I108-M160 HydrophobicContact CD1-CE 3.46Å; I108-M160 VanDerWaalsContact CD1-CE 3.46Å; I108-M160 HydrophobicContact CD1-SD 3.77Å
109M93.7Very high89.1Confident2 Ų235.7 Ų35.71%0.0117%0.173CC..Hα-helixtrans-63.6-40.8-176.6-75.6-61.1-78.300112.6A89 T90 V93 G105 A106 L112 V113 M148 L156A89-M109 HydrophobicContact CB-CE 3.41Å; A89-M109 VanDerWaalsContact CB-CE 3.41Å; A89-M109 WeakPolarHBondContact O-CE 3.18Å; T90-M109 VanDerWaalsContact OG1-CB 3.27Å; T90-M109 WeakPolarHBondContact OG1-CB 3.46Å; V93-M109 HydrophobicContact CG2-CG 3.78Å; V93-M109 HydrophobicContact CG2-SD 4.3Å; G105-M109 WeakPolarHBondContact O-CB 3.31Å; G105-M109 WeakPolarHBondContact O-CG 3.3Å; G105-M109 PolarHBondContact O-N 3.39Å; A106-M109 PolarHBondContact O-N 3.28Å; M109-L112 PolarHBondContact O-N 3.49Å; M109-V113 HydrophobicContact CE-CG2 3.77Å; M109-V113 VanDerWaalsContact O-CB 3.24Å; M109-V113 WeakPolarHBondContact O-CB 3.04Å; M109-V113 WeakPolarHBondContact O-CG2 3.16Å; M109-V113 PolarHBondContact O-N 3.05Å; M109-V113 HydrophobicContact SD-CG2 4.38Å; M109-M148 HydrophobicContact CE-CB 4.4Å; M109-M148 HydrophobicContact CE-CE 4.38Å; M109-L156 HydrophobicContact CG-CD2 3.41Å; M109-L156 VanDerWaalsContact CG-CD2 3.41Å; M109-L156 HydrophobicContact SD-CD2 3.36Å; M109-L156 WeakPolarHBondContact SD-CD2 3.42Å
110G95Very high90.4Very high0 Ų030.6 Ų30.60%015%0.147CC..Hα-helixtrans-51.4-66.3-178.200000113.3A70 G74 A106 I108 L112 G114A70-G110 VanDerWaalsContact O-CA 3.26Å; A70-G110 WeakPolarHBondContact O-CA 3.04Å; G74-G110 WeakPolarHBondContact CA-O 3.2Å; G74-G110 PolarHBondContact N-O 3.04Å; A106-G110 PolarHBondContact O-N 3.29Å; I108-G110 PolarHBondContact O-N 2.82Å; G110-L112 PolarHBondContact O-N 3.25Å; G110-G114 PolarHBondContact O-N 3.31Å
111P94.5Very high91.5Very high23 Ų2329.3 Ų29.315%0.14914%0.139CC..Hα-helixtrans-65.1-39.3-178.6-20.733.5000112.8F20 M24 I77 M107 G114 W115F20-P111 HydrophobicContact CE1-CB 3.9Å; F20-P111 HydrophobicContact CE1-CG 3.39Å; F20-P111 HydrophobicContact CZ-CB 3.79Å; F20-P111 HydrophobicContact CZ-CG 3.62Å; M24-P111 HydrophobicContact CE-CG 4.17Å; M24-P111 HydrophobicContact SD-CG 3.79Å; I77-P111 HydrophobicContact CG1-CB 4.16Å; M107-P111 WeakPolarHBondContact O-CD 3.03Å; M107-P111 WeakPolarHBondContact O-CG 3.38Å; P111-G114 PolarHBondContact O-N 3.11Å; P111-W115 VanDerWaalsContact O-CB 3.29Å; P111-W115 WeakPolarHBondContact O-CB 3.5Å; P111-W115 PolarHBondContact O-N 3.39Å
112L96.4Very high92.4Very high70 Ų7034 Ų3437%0.36616%0.161SC..Hα-helixtrans-60.6-51179.7174.861.7000111.3I108 M109 G110 W115 L116 M148I108-L112 WeakPolarHBondContact O-CB 3.26Å; I108-L112 PolarHBondContact O-N 3.34Å; M109-L112 PolarHBondContact O-N 3.49Å; G110-L112 PolarHBondContact O-N 3.25Å; L112-W115 PolarHBondContact O-N 3.44Å; L112-L116 HydrophobicContact CD1-CD1 4.25Å; L112-L116 HydrophobicContact CD1-CG 4.46Å; L112-L116 HydrophobicContact CG-CD1 4.26Å; L112-L116 WeakPolarHBondContact O-CG 3.15Å; L112-L116 PolarHBondContact O-N 3.1Å; L112-M148 HydrophobicContact CD2-CE 4.08Å; L112-M148 HydrophobicContact CG-CE 4.37Å
113V97.6Very high92.9Very high0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-71.7-37.3-178.3177.50000110.8I85 A86 A89 M109 W115 L116 M117 M148I85-V113 HydrophobicContact CB-CG1 4.16Å; I85-V113 HydrophobicContact CG2-CG1 3.66Å; A86-V113 HydrophobicContact CB-CB 4.11Å; A86-V113 HydrophobicContact CB-CG1 4.28Å; A89-V113 HydrophobicContact CB-CG1 4.23Å; A89-V113 HydrophobicContact CB-CG2 3.78Å; M109-V113 HydrophobicContact CE-CG2 3.77Å; M109-V113 VanDerWaalsContact O-CB 3.24Å; M109-V113 WeakPolarHBondContact O-CB 3.04Å; M109-V113 WeakPolarHBondContact O-CG2 3.16Å; M109-V113 PolarHBondContact O-N 3.05Å; M109-V113 HydrophobicContact SD-CG2 4.38Å; V113-W115 VanDerWaalsContact C-N 3.3Å; V113-W115 PolarHBondContact O-N 2.95Å; V113-L116 PolarHBondContact O-N 3.22Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 PolarHBondContact O-N 3.12Å; V113-M148 HydrophobicContact CG2-CB 4.09Å; V113-M148 HydrophobicContact CG2-CE 3.93Å; V113-M148 HydrophobicContact CG2-CG 4.19Å
114G96.6Very high93.3Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-58.3-42.5171.300000112.4Y78 G110 P111 M117 K118Y78-G114 WeakPolarHBondContact CB-O 3.28Å; G110-G114 PolarHBondContact O-N 3.31Å; P111-G114 PolarHBondContact O-N 3.11Å; G114-M117 PolarHBondContact O-N 3.11Å; G114-K118 PolarHBondContact O-N 3.19Å
115W97.4Very high93.6Very high131 Ų13142.7 Ų42.750%0.49620%0.204SC..Hα-helixtrans-67.2-43.6176.317783.2000112.5I77 P111 L112 V113 M117 K118 K119I77-W115 HydrophobicContact CG2-CB 3.98Å; P111-W115 VanDerWaalsContact O-CB 3.29Å; P111-W115 WeakPolarHBondContact O-CB 3.5Å; P111-W115 PolarHBondContact O-N 3.39Å; L112-W115 PolarHBondContact O-N 3.44Å; V113-W115 VanDerWaalsContact C-N 3.3Å; V113-W115 PolarHBondContact O-N 2.95Å; W115-M117 VanDerWaalsContact C-N 3.33Å; W115-M117 PolarHBondContact O-N 3.44Å; W115-K118 WeakPolarHBondContact O-CB 3.47Å; W115-K118 PolarHBondContact O-N 3.46Å; W115-K119 HydrophobicContact CD2-CG 4.31Å; W115-K119 HydrophobicContact CH2-CG 4.44Å; W115-K119 HydrophobicContact CZ2-CG 4.03Å; W115-K119 WeakPolarHBondContact O-CG 3.29Å; W115-K119 PolarHBondContact O-N 3.17Å
116L97.5Very high93.7Very high42 Ų4247.6 Ų47.622%0.2224%0.236CC..Hα-helixtrans-62.2-41.4174.9-72.9172000111.4L112 V113 K118 K119 T120 L144 M148L112-L116 HydrophobicContact CD1-CD1 4.25Å; L112-L116 HydrophobicContact CD1-CG 4.46Å; L112-L116 HydrophobicContact CG-CD1 4.26Å; L112-L116 WeakPolarHBondContact O-CG 3.15Å; L112-L116 PolarHBondContact O-N 3.1Å; V113-L116 PolarHBondContact O-N 3.22Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 2.97Å; L116-K119 PolarHBondContact O-N 3.01Å; L116-K119 VanDerWaalsContact O-N 3.15Å; L116-T120 WeakPolarHBondContact O-CB 3.46Å; L116-T120 PolarHBondContact O-N 3.23Å; L116-T120 PolarHBondContact O-OG1 3.02Å; L116-L144 HydrophobicContact CB-CD1 4.15Å; L116-L144 HydrophobicContact CB-CD2 4.07Å; L116-M148 HydrophobicContact CD1-CE 3.66Å; L116-M148 HydrophobicContact CD1-CG 4.22Å; L116-M148 HydrophobicContact CD1-SD 3.49Å; L116-M148 WeakPolarHBondContact CD1-SD 2.86Å
117M97Very high93.7Very high0 Ų055.9 Ų55.90%027%0.267CS..Hα-helixtrans-61.9-44176.5-171.566.2-104.500111Y78 R81 I85 V113 G114 W115 K119 T120 D121 A141 L144Y78-M117 HydrophobicContact CD1-CB 4.19Å; Y78-M117 HydrophobicContact CD1-CG 3.85Å; Y78-M117 HydrophobicContact CE1-CG 4.23Å; R81-M117 HydrophobicContact CG-CG 4.04Å; R81-M117 HydrophobicContact CG-SD 4.21Å; I85-M117 HydrophobicContact CG1-SD 3.99Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 PolarHBondContact O-N 3.12Å; G114-M117 PolarHBondContact O-N 3.11Å; W115-M117 VanDerWaalsContact C-N 3.33Å; W115-M117 PolarHBondContact O-N 3.44Å; M117-K119 VanDerWaalsContact C-N 3.3Å; M117-K119 PolarHBondContact O-N 2.85Å; M117-T120 HydrophobicContact CE-CG2 3.96Å; M117-T120 PolarHBondContact O-N 3.24Å; M117-D121 WeakPolarHBondContact CE-OD1 3.48Å; M117-D121 PolarHBondContact O-N 3.46Å; M117-A141 HydrophobicContact CE-CB 4.37Å; M117-A141 HydrophobicContact SD-CB 3.89Å; M117-L144 VanDerWaalsContact CA-CD2 3.48Å; M117-L144 HydrophobicContact CB-CD2 3.88Å; M117-L144 HydrophobicContact SD-CD2 3.89Å
118K95.7Very high93.7Very high82 Ų8256.4 Ų56.436%0.35727%0.271SS..Hα-helixtrans-56.3-44.3173-175.5169.4-176.1172.50112Y78 G114 W115 L116 Q122Y78-K118 HydrophobicContact CD1-CB 4.16Å; Y78-K118 HydrophobicContact CD2-CB 3.5Å; Y78-K118 HydrophobicContact CD2-CD 3.82Å; Y78-K118 HydrophobicContact CD2-CG 3.48Å; Y78-K118 VanDerWaalsContact CD2-CG 3.48Å; Y78-K118 HydrophobicContact CE2-CB 4.02Å; Y78-K118 HydrophobicContact CE2-CD 4.4Å; Y78-K118 HydrophobicContact CE2-CG 3.74Å; Y78-K118 HydrophobicContact CG-CB 3.59Å; Y78-K118 HydrophobicContact CG-CG 4.13Å; G114-K118 PolarHBondContact O-N 3.19Å; W115-K118 WeakPolarHBondContact O-CB 3.47Å; W115-K118 PolarHBondContact O-N 3.46Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 2.97Å; K118-Q122 WeakPolarHBondContact O-CB 3.16Å; K118-Q122 VanDerWaalsContact O-CG 3.23Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.1Å
119K96.2Very high93.7Very high100 Ų10056.5 Ų56.544%0.43528%0.276SS..Hα-helixtrans-68.4-41.7179.3-73.4-66.9178.5-168.80112.7W115 L116 M117 D121 Q122 L123W115-K119 HydrophobicContact CD2-CG 4.31Å; W115-K119 HydrophobicContact CH2-CG 4.44Å; W115-K119 HydrophobicContact CZ2-CG 4.03Å; W115-K119 WeakPolarHBondContact O-CG 3.29Å; W115-K119 PolarHBondContact O-N 3.17Å; L116-K119 PolarHBondContact O-N 3.01Å; L116-K119 VanDerWaalsContact O-N 3.15Å; M117-K119 VanDerWaalsContact C-N 3.3Å; M117-K119 PolarHBondContact O-N 2.85Å; K119-D121 VanDerWaalsContact C-N 3.33Å; K119-D121 PolarHBondContact O-N 3.01Å; K119-Q122 PolarHBondContact O-N 3.38Å; K119-L123 PolarHBondContact O-N 3.45Å; K119-L123 VanDerWaalsContact O-N 3.11Å
120T95.1Very high93.4Very high32 Ų3265 Ų6520%0.19632%0.316CS..Hα-helixtrans-58.7-45.5175-65.20000110.8L116 M117 L123 I124L116-T120 WeakPolarHBondContact O-CB 3.46Å; L116-T120 PolarHBondContact O-N 3.23Å; L116-T120 PolarHBondContact O-OG1 3.02Å; M117-T120 HydrophobicContact CE-CG2 3.96Å; M117-T120 PolarHBondContact O-N 3.24Å; T120-L123 PolarHBondContact O-N 2.93Å; T120-I124 HydrophobicContact CG2-CD1 3.57Å; T120-I124 HydrophobicContact CG2-CG1 4.45Å; T120-I124 WeakPolarHBondContact O-CB 3.2Å; T120-I124 WeakPolarHBondContact O-CG1 3.43Å; T120-I124 PolarHBondContact O-N 2.87Å
121D92.4Very high93.2Very high2 Ų268.2 Ų68.21%0.01135%0.348CS..Hα-helixtrans-68.4-41.3178.5-85.51.1000113.3Y78 R81 M117 K119 L123 I124 Q125Y78-D121 HydrophobicContact CE1-CB 3.99Å; Y78-D121 WeakPolarHBondContact CE1-OD2 3.41Å; Y78-D121 WeakPolarHBondContact OH-CB 3.23Å; Y78-D121 PolarHBondContact OH-OD2 2.89Å; R81-D121 VanDerWaalsContact CZ-CG 3.42Å; R81-D121 IonicContact CZ-OD1 2.98Å; R81-D121 IonicContact CZ-OD2 3.05Å; R81-D121 IonicContact NE-OD1 3.84Å; R81-D121 IonicContact NE-OD2 3.49Å; R81-D121 PolarHBondContact NE-OD2 3.4Å; R81-D121 IonicContact NH1-OD1 3Å; R81-D121 PolarHBondContact NH1-OD1 2.95Å; R81-D121 IonicContact NH1-OD2 2.63Å; R81-D121 PolarHBondContact NH1-OD2 2.8Å; R81-D121 IonicContact NH2-OD1 2.71Å; R81-D121 PolarHBondContact NH2-OD1 3.41Å; R81-D121 IonicContact NH2-OD2 3.65Å; M117-D121 WeakPolarHBondContact CE-OD1 3.48Å; M117-D121 PolarHBondContact O-N 3.46Å; K119-D121 VanDerWaalsContact C-N 3.33Å; K119-D121 PolarHBondContact O-N 3.01Å; D121-L123 PolarHBondContact O-N 3.46Å; D121-I124 PolarHBondContact O-N 3.33Å; D121-Q125 HydrophobicContact CB-CG 4.23Å; D121-Q125 VanDerWaalsContact O-CB 3.27Å; D121-Q125 WeakPolarHBondContact O-CB 3.31Å; D121-Q125 WeakPolarHBondContact O-CG 3.21Å; D121-Q125 PolarHBondContact O-N 3.42Å; D121-Q125 PolarHBondContact OD2-NE2 2.69Å
122Q92.5Very high93Very high101 Ų10172.5 Ų72.547%0.47237%0.365SS..Hα-helixtrans-57.5-30.6173.5-76.2176.6-12.900112.5K118 K119 P126K118-Q122 WeakPolarHBondContact O-CB 3.16Å; K118-Q122 VanDerWaalsContact O-CG 3.23Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.1Å; K119-Q122 PolarHBondContact O-N 3.38Å; Q122-P126 WeakPolarHBondContact O-CD 3.37Å; Q122-P126 WeakPolarHBondContact O-CG 3.49Å
123L93.1Very high92.7Very high107 Ų10772.8 Ų72.856%0.5636%0.364SS*.Hα-helixtrans-85.1-40.3179.2-172.271.6000112.7K119 T120 D121 R127K119-L123 PolarHBondContact O-N 3.45Å; K119-L123 VanDerWaalsContact O-N 3.11Å; T120-L123 PolarHBondContact O-N 2.93Å; D121-L123 PolarHBondContact O-N 3.46Å; L123-R127 VanDerWaalsContact CD1-NH1 3.32Å; L123-R127 PolarHBondContact O-NH1 3.05Å
124I91.4Very high92.3Very high43 Ų4379.7 Ų79.722%0.22140%0.398CS..Hα-helixtrans-88.4-45.7-170.4-66.3176.2000111.7T120 D121 R127 T128 F136 S140T120-I124 HydrophobicContact CG2-CD1 3.57Å; T120-I124 HydrophobicContact CG2-CG1 4.45Å; T120-I124 WeakPolarHBondContact O-CB 3.2Å; T120-I124 WeakPolarHBondContact O-CG1 3.43Å; T120-I124 PolarHBondContact O-N 2.87Å; D121-I124 PolarHBondContact O-N 3.33Å; I124-R127 CarbonylContact O-C 3.54Å; I124-R127 WeakPolarHBondContact O-CA 3.42Å; I124-R127 WeakPolarHBondContact O-CB 3.16Å; I124-R127 PolarHBondContact O-N 3.27Å; I124-T128 HydrophobicContact CG2-CG2 3.85Å; I124-T128 WeakPolarHBondContact O-CG2 3.45Å; I124-T128 PolarHBondContact O-N 2.86Å; I124-F136 HydrophobicContact CG2-CB 4.15Å; I124-F136 HydrophobicContact CG2-CD1 3.67Å; I124-F136 HydrophobicContact CG2-CG 4.36Å; I124-S140 VanDerWaalsContact CD1-CB 3.41Å
125Q87Confident92Very high83 Ų8383.9 Ų83.939%0.38842%0.42SS..G310 helixtrans-55.7-43.1-173.5-69.9179.90.400113.9D121 R127 T128D121-Q125 HydrophobicContact CB-CG 4.23Å; D121-Q125 VanDerWaalsContact O-CB 3.27Å; D121-Q125 WeakPolarHBondContact O-CB 3.31Å; D121-Q125 WeakPolarHBondContact O-CG 3.21Å; D121-Q125 PolarHBondContact O-N 3.42Å; D121-Q125 PolarHBondContact OD2-NE2 2.69Å; Q125-R127 PolarHBondContact O-N 2.91Å; Q125-T128 PolarHBondContact O-N 3.4Å; Q125-T128 PolarHBondContact O-OG1 3.21Å
126P89.4Confident91.7Very high104 Ų10481.4 Ų81.468%0.67541%0.413SS*.G310 helixtrans-65.7-13.4177.6-21.935000114.2Q122Q122-P126 WeakPolarHBondContact O-CD 3.37Å; Q122-P126 WeakPolarHBondContact O-CG 3.49Å
127R90.4Very high91.4Very high173 Ų17381.2 Ų81.265%0.65341%0.412SS*.G310 helixtrans-108.31.7-178.2-62.7-177.9172.988.4-0.5112.9L123 I124 Q125 P129L123-R127 VanDerWaalsContact CD1-NH1 3.32Å; L123-R127 PolarHBondContact O-NH1 3.05Å; I124-R127 CarbonylContact O-C 3.54Å; I124-R127 WeakPolarHBondContact O-CA 3.42Å; I124-R127 WeakPolarHBondContact O-CB 3.16Å; I124-R127 PolarHBondContact O-N 3.27Å; Q125-R127 PolarHBondContact O-N 2.91Å; R127-P129 WeakPolarHBondContact O-CD 3.27Å
128T89.1Confident91.2Very high25 Ų2586.1 Ų86.115%0.15344%0.438CS..PPolyproline II helixtrans-79.3125-179.355.20000110.6I124 Q125 F136I124-T128 HydrophobicContact CG2-CG2 3.85Å; I124-T128 WeakPolarHBondContact O-CG2 3.45Å; I124-T128 PolarHBondContact O-N 2.86Å; Q125-T128 PolarHBondContact O-N 3.4Å; Q125-T128 PolarHBondContact O-OG1 3.21Å; T128-F136 HydrophobicContact CG2-CB 3.37Å; T128-F136 HydrophobicContact CG2-CD1 3.87Å; T128-F136 HydrophobicContact CG2-CD2 4.16Å; T128-F136 HydrophobicContact CG2-CG 3.54Å
129P89.6Confident91.1Very high67 Ų6788.4 Ų88.444%0.43545%0.449SS..PPolyproline II helixtrans-59.8145.6171.5-21.232.8000111.2R127 G131 F132R127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-G131 PolarHBondContact O-N 3.34Å; P129-F132 HydrophobicContact CB-CD2 3.96Å; P129-F132 PolarHBondContact O-N 3.38Å
130Q87.9Confident91Very high181 Ų18184.2 Ų84.285%0.84643%0.432SS*.THydrogen-bonded Turntrans-59.1133.5178-167.5179.25.900110.7F132 E133Q130-F132 VanDerWaalsContact C-N 3.29Å; Q130-F132 PolarHBondContact O-N 3.17Å; Q130-E133 WeakPolarHBondContact CA-OE1 3.38Å
131G90.2Very high91Very high66 Ų6683.1 Ų83.168%0.6843%0.426SS*.THydrogen-bonded Turntrans85.7-9-176.400000114.8P129 E133P129-G131 PolarHBondContact O-N 3.34Å; G131-E133 VanDerWaalsContact CA-OE2 3.26Å; G131-E133 WeakPolarHBondContact CA-OE2 3.2Å; G131-E133 PolarHBondContact N-OE1 2.99Å; G131-E133 PolarHBondContact N-OE2 2.79Å
132F91.4Very high91.1Very high113 Ų11385 Ų8550%0.49645%0.447SS..  trans-105.35.8174.6-69.4-94000112.8P129 Q130 M134 L135 F136P129-F132 HydrophobicContact CB-CD2 3.96Å; P129-F132 PolarHBondContact O-N 3.38Å; Q130-F132 VanDerWaalsContact C-N 3.29Å; Q130-F132 PolarHBondContact O-N 3.17Å; F132-M134 VanDerWaalsContact C-N 3.3Å; F132-M134 PolarHBondContact O-N 2.92Å; F132-L135 HydrophobicContact CD1-CD2 4Å; F132-L135 WeakPolarHBondContact O-CB 3.45Å; F132-L135 PolarHBondContact O-N 3.22Å; F132-L135 VanDerWaalsContact O-N 3.1Å; F132-F136 HydrophobicContact CB-CD2 3.96Å; F132-F136 HydrophobicContact CB-CE2 4.12Å; F132-F136 WeakPolarHBondContact O-CD2 3.5Å; F132-F136 PolarHBondContact O-N 2.81Å
133E88.7Confident91.3Very high77 Ų7784.8 Ų84.836%0.3645%0.448SS..Hα-helixtrans-59.3-41.9-173.8-56.387.7169.800111.3Q130 G131 L135 F136 N137Q130-E133 WeakPolarHBondContact CA-OE1 3.38Å; G131-E133 VanDerWaalsContact CA-OE2 3.26Å; G131-E133 WeakPolarHBondContact CA-OE2 3.2Å; G131-E133 PolarHBondContact N-OE1 2.99Å; G131-E133 PolarHBondContact N-OE2 2.79Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 2.77Å; E133-F136 PolarHBondContact O-N 2.68Å; E133-N137 WeakPolarHBondContact O-CB 3.42Å; E133-N137 PolarHBondContact O-N 3.14Å; E133-N137 PolarHBondContact O-ND2 3.13Å; E133-N137 VanDerWaalsContact O-ND2 3.08Å
134M88.9Confident91.5Very high145 Ų14580.6 Ų80.671%0.71443%0.426SS*.Hα-helixtrans-64-39.5178.9-163.2-175.8-147.100112.1F132 N138F132-M134 VanDerWaalsContact C-N 3.3Å; F132-M134 PolarHBondContact O-N 2.92Å; M134-N138 WeakPolarHBondContact O-CB 3.15Å; M134-N138 VanDerWaalsContact O-CG 3.27Å; M134-N138 PolarHBondContact O-N 2.99Å; M134-N138 PolarHBondContact O-ND2 3.05Å
135L91Very high91.8Very high87 Ų8778.6 Ų78.646%0.45542%0.416SS..Hα-helixtrans-63.7-53.5177.4-176.473.5000110.1F132 E133 N137 N138 F139F132-L135 HydrophobicContact CD1-CD2 4Å; F132-L135 WeakPolarHBondContact O-CB 3.45Å; F132-L135 PolarHBondContact O-N 3.22Å; F132-L135 VanDerWaalsContact O-N 3.1Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 2.77Å; L135-N137 VanDerWaalsContact C-N 3.31Å; L135-N137 PolarHBondContact O-N 3.22Å; L135-N138 PolarHBondContact O-N 2.89Å; L135-F139 HydrophobicContact CD1-CD2 3.52Å; L135-F139 HydrophobicContact CD1-CE2 3.4Å; L135-F139 VanDerWaalsContact CD1-CE2 3.4Å; L135-F139 HydrophobicContact CD1-CZ 4.48Å; L135-F139 HydrophobicContact CG-CD2 4.09Å; L135-F139 HydrophobicContact CG-CE2 4.41Å; L135-F139 WeakPolarHBondContact O-CB 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.14Å; L135-F139 PolarHBondContact O-N 3.29Å
136F92Very high92.3Very high79 Ų7981.1 Ų81.135%0.34643%0.426SS..Hα-helixtrans-62.8-39179.3-86-97.6000111.8I124 T128 F132 E133 S140I124-F136 HydrophobicContact CG2-CB 4.15Å; I124-F136 HydrophobicContact CG2-CD1 3.67Å; I124-F136 HydrophobicContact CG2-CG 4.36Å; T128-F136 HydrophobicContact CG2-CB 3.37Å; T128-F136 HydrophobicContact CG2-CD1 3.87Å; T128-F136 HydrophobicContact CG2-CD2 4.16Å; T128-F136 HydrophobicContact CG2-CG 3.54Å; F132-F136 HydrophobicContact CB-CD2 3.96Å; F132-F136 HydrophobicContact CB-CE2 4.12Å; F132-F136 WeakPolarHBondContact O-CD2 3.5Å; F132-F136 PolarHBondContact O-N 2.81Å; E133-F136 PolarHBondContact O-N 2.68Å; F136-S140 WeakPolarHBondContact O-CB 3.47Å; F136-S140 PolarHBondContact O-N 3.16Å; F136-S140 PolarHBondContact O-OG 3.44Å
137N89.7Confident92.7Very high39 Ų3980.4 Ų80.421%0.20942%0.415CS..Hα-helixtrans-64-49.6178.3-75.5-28.6000111.6R81 E133 L135 S140 A141R81-N137 VanDerWaalsContact NH1-CG 3.26Å; R81-N137 PolarHBondContact NH1-OD1 3.47Å; R81-N137 VanDerWaalsContact NH2-C 3.35Å; R81-N137 PolarHBondContact NH2-O 2.63Å; E133-N137 WeakPolarHBondContact O-CB 3.42Å; E133-N137 PolarHBondContact O-N 3.14Å; E133-N137 PolarHBondContact O-ND2 3.13Å; E133-N137 VanDerWaalsContact O-ND2 3.08Å; L135-N137 VanDerWaalsContact C-N 3.31Å; L135-N137 PolarHBondContact O-N 3.22Å; N137-S140 PolarHBondContact O-OG 2.95Å; N137-S140 VanDerWaalsContact O-OG 3.12Å; N137-A141 VanDerWaalsContact O-CB 3.23Å; N137-A141 WeakPolarHBondContact O-CB 3.43Å; N137-A141 PolarHBondContact O-N 2.75Å; N137-A141 VanDerWaalsContact O-N 3.16Å
138N92.8Very high93Very high102 Ų10273.2 Ų73.255%0.54539%0.389SS..Hα-helixtrans-68.7-45-178.5-69.9-14.8000112.1M134 L135 A141 G142M134-N138 WeakPolarHBondContact O-CB 3.15Å; M134-N138 VanDerWaalsContact O-CG 3.27Å; M134-N138 PolarHBondContact O-N 2.99Å; M134-N138 PolarHBondContact O-ND2 3.05Å; L135-N138 PolarHBondContact O-N 2.89Å; N138-A141 PolarHBondContact O-N 3.44Å; N138-G142 PolarHBondContact O-N 2.83Å
139F94.3Very high93.4Very high130 Ų13073.9 Ų73.957%0.5739%0.393SS*.Hα-helixtrans-70-40.3-179.1-86.9-94.6000112.8L135 A141 G142 I143L135-F139 HydrophobicContact CD1-CD2 3.52Å; L135-F139 HydrophobicContact CD1-CE2 3.4Å; L135-F139 VanDerWaalsContact CD1-CE2 3.4Å; L135-F139 HydrophobicContact CD1-CZ 4.48Å; L135-F139 HydrophobicContact CG-CD2 4.09Å; L135-F139 HydrophobicContact CG-CE2 4.41Å; L135-F139 WeakPolarHBondContact O-CB 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.14Å; L135-F139 PolarHBondContact O-N 3.29Å; F139-A141 VanDerWaalsContact C-N 3.32Å; F139-A141 PolarHBondContact O-N 3.3Å; F139-G142 PolarHBondContact O-N 3.28Å; F139-I143 WeakPolarHBondContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CD1 3.47Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.37Å
140S94.4Very high93.8Very high12 Ų1274.6 Ų74.68%0.08439%0.393CS..Hα-helixtrans-63.5-40175.860.30000112.2R81 I124 F136 N137 L144R81-S140 PolarHBondContact NH2-OG 3.43Å; I124-S140 VanDerWaalsContact CD1-CB 3.41Å; F136-S140 WeakPolarHBondContact O-CB 3.47Å; F136-S140 PolarHBondContact O-N 3.16Å; F136-S140 PolarHBondContact O-OG 3.44Å; N137-S140 PolarHBondContact O-OG 2.95Å; N137-S140 VanDerWaalsContact O-OG 3.12Å; S140-L144 VanDerWaalsContact O-CB 3.32Å; S140-L144 WeakPolarHBondContact O-CB 3.38Å; S140-L144 PolarHBondContact O-N 3.05Å
141A94.2Very high94.1Very high9 Ų967 Ų677%0.07436%0.361CS..Hα-helixtrans-66-44.6175.800000111.2I85 M117 N137 N138 F139 L144 G145I85-A141 HydrophobicContact CD1-CB 3.76Å; I85-A141 WeakPolarHBondContact CD1-O 3.18Å; I85-A141 HydrophobicContact CG1-CB 3.91Å; M117-A141 HydrophobicContact CE-CB 4.37Å; M117-A141 HydrophobicContact SD-CB 3.89Å; N137-A141 VanDerWaalsContact O-CB 3.23Å; N137-A141 WeakPolarHBondContact O-CB 3.43Å; N137-A141 PolarHBondContact O-N 2.75Å; N137-A141 VanDerWaalsContact O-N 3.16Å; N138-A141 PolarHBondContact O-N 3.44Å; F139-A141 VanDerWaalsContact C-N 3.32Å; F139-A141 PolarHBondContact O-N 3.3Å; A141-L144 PolarHBondContact O-N 3.21Å; A141-G145 PolarHBondContact O-N 2.88Å
142G95.9Very high94.3Very high43 Ų4364 Ų6444%0.44333%0.329SS..Hα-helixtrans-63.3-43.9176.600000113.5N138 F139 G145 F146N138-G142 PolarHBondContact O-N 2.83Å; F139-G142 PolarHBondContact O-N 3.28Å; G142-G145 PolarHBondContact O-N 3.32Å; G142-F146 WeakPolarHBondContact O-CB 3.3Å; G142-F146 PolarHBondContact O-N 2.77Å
143I96.8Very high94.5Very high96 Ų9662.8 Ų62.849%0.49232%0.324SS..Hα-helixtrans-64.4-45.9176.8-69.8164.6000110.4F139 G145 F146 I147F139-I143 WeakPolarHBondContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CD1 3.47Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.37Å; I143-G145 VanDerWaalsContact C-N 3.35Å; I143-F146 PolarHBondContact O-N 3.29Å; I143-I147 HydrophobicContact CG2-CD1 3.84Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 2.96Å
144L97Very high94.8Very high19 Ų1966.1 Ų66.110%0.09934%0.337CS..Hα-helixtrans-61.7-46176.1-179.166.3000110.8I85 L116 M117 S140 A141 F146 I147 M148I85-L144 HydrophobicContact CG2-CD2 4.42Å; I85-L144 HydrophobicContact CG2-CG 4.43Å; L116-L144 HydrophobicContact CB-CD1 4.15Å; L116-L144 HydrophobicContact CB-CD2 4.07Å; M117-L144 VanDerWaalsContact CA-CD2 3.48Å; M117-L144 HydrophobicContact CB-CD2 3.88Å; M117-L144 HydrophobicContact SD-CD2 3.89Å; S140-L144 VanDerWaalsContact O-CB 3.32Å; S140-L144 WeakPolarHBondContact O-CB 3.38Å; S140-L144 PolarHBondContact O-N 3.05Å; A141-L144 PolarHBondContact O-N 3.21Å; L144-F146 VanDerWaalsContact C-N 3.35Å; L144-F146 PolarHBondContact O-N 3.3Å; L144-I147 PolarHBondContact O-N 3.01Å; L144-M148 HydrophobicContact CD1-CG 3.85Å; L144-M148 HydrophobicContact CG-CG 4.18Å; L144-M148 VanDerWaalsContact O-CB 3.31Å; L144-M148 WeakPolarHBondContact O-CB 3.24Å; L144-M148 VanDerWaalsContact O-CG 3.24Å; L144-M148 WeakPolarHBondContact O-CG 3.48Å; L144-M148 PolarHBondContact O-N 3.48Å
145G96.8Very high95Very high1 Ų165 Ų651%0.0133%0.333CS..Hα-helixtrans-56.2-48175.500000111.8A141 G142 I143 M148 T149A141-G145 PolarHBondContact O-N 2.88Å; G142-G145 PolarHBondContact O-N 3.32Å; I143-G145 VanDerWaalsContact C-N 3.35Å; G145-M148 PolarHBondContact O-N 3.31Å; G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.38Å; G145-T149 PolarHBondContact O-OG1 3.43Å
146F97.4Very high94.9Very high136 Ų13661.7 Ų61.760%0.59632%0.316SS*.Hα-helixtrans-56.8-51.6176.2169.6-101.6000112.5G142 I143 L144 M148 T149 I150G142-F146 WeakPolarHBondContact O-CB 3.3Å; G142-F146 PolarHBondContact O-N 2.77Å; I143-F146 PolarHBondContact O-N 3.29Å; L144-F146 VanDerWaalsContact C-N 3.35Å; L144-F146 PolarHBondContact O-N 3.3Å; F146-M148 VanDerWaalsContact C-N 3.34Å; F146-M148 PolarHBondContact O-N 2.95Å; F146-T149 PolarHBondContact O-N 3.2Å; F146-I150 HydrophobicContact CD1-CD1 4.35Å; F146-I150 HydrophobicContact CD2-CD1 4.23Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE2-CD1 3.63Å; F146-I150 HydrophobicContact CZ-CD1 3.37Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 2.8Å; F146-I150 VanDerWaalsContact O-N 3.14Å
147I97.7Very high94.7Very high89 Ų8958.1 Ų58.146%0.45630%0.301SS..Hα-helixtrans-61.1-46179.4-67.6168.4000110.3I143 L144 I150 A151I143-I147 HydrophobicContact CG2-CD1 3.84Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 2.96Å; L144-I147 PolarHBondContact O-N 3.01Å; I147-I150 PolarHBondContact O-N 3.33Å; I147-A151 WeakPolarHBondContact O-CB 3.12Å; I147-A151 PolarHBondContact O-N 3.42Å
148M97.5Very high94.7Very high21 Ų2159.8 Ų59.810%0.10331%0.314CS..Hα-helixtrans-72.5-29.7-176.4-67.1-53.8-60.100112.8A89 M109 L112 V113 L116 L144 G145 F146 G152A89-M148 HydrophobicContact CB-CB 3.56Å; M109-M148 HydrophobicContact CE-CB 4.4Å; M109-M148 HydrophobicContact CE-CE 4.38Å; L112-M148 HydrophobicContact CD2-CE 4.08Å; L112-M148 HydrophobicContact CG-CE 4.37Å; V113-M148 HydrophobicContact CG2-CB 4.09Å; V113-M148 HydrophobicContact CG2-CE 3.93Å; V113-M148 HydrophobicContact CG2-CG 4.19Å; L116-M148 HydrophobicContact CD1-CE 3.66Å; L116-M148 HydrophobicContact CD1-CG 4.22Å; L116-M148 HydrophobicContact CD1-SD 3.49Å; L116-M148 WeakPolarHBondContact CD1-SD 2.86Å; L144-M148 HydrophobicContact CD1-CG 3.85Å; L144-M148 HydrophobicContact CG-CG 4.18Å; L144-M148 VanDerWaalsContact O-CB 3.31Å; L144-M148 WeakPolarHBondContact O-CB 3.24Å; L144-M148 VanDerWaalsContact O-CG 3.24Å; L144-M148 WeakPolarHBondContact O-CG 3.48Å; L144-M148 PolarHBondContact O-N 3.48Å; G145-M148 PolarHBondContact O-N 3.31Å; F146-M148 VanDerWaalsContact C-N 3.34Å; F146-M148 PolarHBondContact O-N 2.95Å; M148-G152 PolarHBondContact O-N 3.08Å
149T97.3Very high94.4Very high40 Ų4059 Ų5925%0.24531%0.309CS..Hα-helixtrans-62-47.3168.7-61.80000110.6T88 A89 G92 G145 F146 G152 F153T88-T149 PolarHBondContact O-OG1 3.41Å; A89-T149 WeakPolarHBondContact CA-OG1 3.32Å; G92-T149 WeakPolarHBondContact CA-O 3.14Å; G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.38Å; G145-T149 PolarHBondContact O-OG1 3.43Å; F146-T149 PolarHBondContact O-N 3.2Å; T149-G152 PolarHBondContact O-N 2.76Å; T149-F153 PolarHBondContact O-N 2.68Å
150I97.2Very high93.9Very high81 Ų8152.9 Ų52.942%0.41528%0.282SS..Hα-helixtrans-64.6-44.3177.7-66.7173.3000110.8F146 I147 G152 F153 K154F146-I150 HydrophobicContact CD1-CD1 4.35Å; F146-I150 HydrophobicContact CD2-CD1 4.23Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE2-CD1 3.63Å; F146-I150 HydrophobicContact CZ-CD1 3.37Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 2.8Å; F146-I150 VanDerWaalsContact O-N 3.14Å; I147-I150 PolarHBondContact O-N 3.33Å; I150-G152 VanDerWaalsContact C-N 3.32Å; I150-G152 PolarHBondContact O-N 3.08Å; I150-F153 PolarHBondContact O-N 3.42Å; I150-K154 HydrophobicContact CG2-CG 4.38Å; I150-K154 WeakPolarHBondContact O-CB 3.47Å; I150-K154 PolarHBondContact O-N 3.37Å
151A96Very high93.2Very high23 Ų2359 Ų5919%0.1931%0.307CS..Hα-helixtrans-61.9-41.1176.400000111.5I147 F153 I155 L156I147-A151 WeakPolarHBondContact O-CB 3.12Å; I147-A151 PolarHBondContact O-N 3.42Å; A151-F153 VanDerWaalsContact C-N 3.33Å; A151-F153 PolarHBondContact O-N 2.98Å; A151-I155 HydrophobicContact CB-CD1 4.36Å; A151-I155 WeakPolarHBondContact O-CA 3.25Å; A151-I155 VanDerWaalsContact O-CB 3.27Å; A151-I155 WeakPolarHBondContact O-CB 3.39Å; A151-I155 PolarHBondContact O-N 2.9Å; A151-L156 PolarHBondContact O-N 3.49Å; A151-L156 VanDerWaalsContact O-N 3.12Å
152G93.7Very high92.7Very high1 Ų164.7 Ų64.71%0.0133%0.331CS..Iπ-helixtrans-56.9-47173.200000111.9M148 T149 I150 L156 A157M148-G152 PolarHBondContact O-N 3.08Å; T149-G152 PolarHBondContact O-N 2.76Å; I150-G152 VanDerWaalsContact C-N 3.32Å; I150-G152 PolarHBondContact O-N 3.08Å; G152-L156 PolarHBondContact O-N 3.36Å; G152-A157 PolarHBondContact O-N 3.46Å
153F95.2Very high91.8Very high88 Ų8865.5 Ų65.539%0.38632%0.324SS..Iπ-helixtrans-68.6-46.5-180-171-78.8000113.3G92 V95 A96 T149 I150 A151G92-F153 VanDerWaalsContact O-CA 3.22Å; G92-F153 WeakPolarHBondContact O-CA 3.5Å; G92-F153 WeakPolarHBondContact O-CB 3.1Å; G92-F153 WeakPolarHBondContact O-CD2 3.32Å; V95-F153 HydrophobicContact CG1-CE2 4.2Å; A96-F153 HydrophobicContact CB-CD2 3.61Å; A96-F153 HydrophobicContact CB-CE2 3.82Å; A96-F153 HydrophobicContact CB-CG 3.98Å; A96-F153 HydrophobicContact CB-CZ 4.35Å; T149-F153 PolarHBondContact O-N 2.68Å; I150-F153 PolarHBondContact O-N 3.42Å; A151-F153 VanDerWaalsContact C-N 3.33Å; A151-F153 PolarHBondContact O-N 2.98Å
154K95.1Very high90.5Very high147 Ų14762 Ų6264%0.63931%0.306SS*.Iπ-helixtrans-90-30.5-171-71.6-69.2-174.2177.80114.3I150 P158I150-K154 HydrophobicContact CG2-CG 4.38Å; I150-K154 WeakPolarHBondContact O-CB 3.47Å; I150-K154 PolarHBondContact O-N 3.37Å; K154-P158 WeakPolarHBondContact O-CG 3.22Å
155I94.1Very high89.5Confident122 Ų12266.9 Ų66.963%0.62633%0.328SS*.Iπ-helixtrans-110.2-55-172.5-54.5175.4000110.1A151 P158 L159A151-I155 HydrophobicContact CB-CD1 4.36Å; A151-I155 WeakPolarHBondContact O-CA 3.25Å; A151-I155 VanDerWaalsContact O-CB 3.27Å; A151-I155 WeakPolarHBondContact O-CB 3.39Å; A151-I155 PolarHBondContact O-N 2.9Å; I155-P158 WeakPolarHBondContact O-CD 3.37Å; I155-L159 PolarHBondContact O-N 3.09Å
156L88.4Confident88.5Confident18 Ų1871.2 Ų71.29%0.09435%0.35CS..Iπ-helixtrans-74.1-38.3-171.7-169.861.1000112.2V93 I108 M109 A151 G152 L159 M160V93-L156 HydrophobicContact CG2-CB 4.25Å; V93-L156 HydrophobicContact CG2-CD2 3.82Å; V93-L156 HydrophobicContact CG2-CG 4.29Å; I108-L156 HydrophobicContact CB-CD2 4.5Å; I108-L156 HydrophobicContact CG2-CD1 4.24Å; I108-L156 HydrophobicContact CG2-CD2 4.2Å; M109-L156 HydrophobicContact CG-CD2 3.41Å; M109-L156 VanDerWaalsContact CG-CD2 3.41Å; M109-L156 HydrophobicContact SD-CD2 3.36Å; M109-L156 WeakPolarHBondContact SD-CD2 3.42Å; A151-L156 PolarHBondContact O-N 3.49Å; A151-L156 VanDerWaalsContact O-N 3.12Å; G152-L156 PolarHBondContact O-N 3.36Å; L156-L159 HydrophobicContact CD1-CD2 4.14Å; L156-L159 WeakPolarHBondContact O-CB 3.48Å; L156-L159 PolarHBondContact O-N 3.37Å; L156-M160 HydrophobicContact CD1-CE 3.74Å; L156-M160 HydrophobicContact CD1-CG 4.43Å; L156-M160 HydrophobicContact CG-CE 4.45Å; L156-M160 HydrophobicContact CG-CG 4.15Å; L156-M160 WeakPolarHBondContact O-CG 3.39Å; L156-M160 PolarHBondContact O-N 3.27Å
157A87.2Confident87.1Confident3 Ų367.5 Ų67.53%0.02534%0.336CS..Hα-helixtrans-62.5-47.2-179.200000113.9V93 A96 L97 G152 L159 M160 K161V93-A157 HydrophobicContact CG1-CB 4.42Å; A96-A157 HydrophobicContact CB-CB 3.27Å; L97-A157 HydrophobicContact CD1-CB 4.13Å; L97-A157 WeakPolarHBondContact CD1-O 2.75Å; L97-A157 HydrophobicContact CG-CB 4.23Å; G152-A157 PolarHBondContact O-N 3.46Å; A157-L159 VanDerWaalsContact C-N 3.27Å; A157-L159 PolarHBondContact O-N 3.49Å; A157-M160 PolarHBondContact O-N 3.5Å; A157-M160 VanDerWaalsContact O-N 3.16Å; A157-K161 PolarHBondContact O-N 3.1Å
158P89.3Confident85.7Confident74 Ų7464.5 Ų64.548%0.48132%0.323SS..Hα-helixtrans-58.2-39172.2-25.834.6000113.1K154 I155 K161 F162K154-P158 WeakPolarHBondContact O-CG 3.22Å; I155-P158 WeakPolarHBondContact O-CD 3.37Å; P158-K161 PolarHBondContact O-N 3.49Å; P158-F162 PolarHBondContact O-N 2.91Å
159L87.6Confident84.6Confident86 Ų8666.9 Ų66.945%0.4534%0.339SS..Hα-helixtrans-63.5-43.9175.4-178.964.5000111.4I155 L156 A157 F162 I163I155-L159 PolarHBondContact O-N 3.09Å; L156-L159 HydrophobicContact CD1-CD2 4.14Å; L156-L159 WeakPolarHBondContact O-CB 3.48Å; L156-L159 PolarHBondContact O-N 3.37Å; A157-L159 VanDerWaalsContact C-N 3.27Å; A157-L159 PolarHBondContact O-N 3.49Å; L159-F162 PolarHBondContact O-N 2.98Å; L159-I163 HydrophobicContact CD1-CD1 4.22Å; L159-I163 HydrophobicContact CD1-CG1 4.47Å; L159-I163 HydrophobicContact CG-CD1 4.04Å; L159-I163 WeakPolarHBondContact O-CG1 3.36Å; L159-I163 PolarHBondContact O-N 2.96Å
160M83.5Confident83.4Confident2 Ų267.1 Ų67.11%0.0135%0.345CS..Hα-helixtrans-63-43.8176.2-69.8-5694.600111.3V93 L97 M102 L104 I108 L156 A157 F162 I163 M164V93-M160 HydrophobicContact CG1-CG 4.35Å; L97-M160 HydrophobicContact CD1-CB 4.36Å; M102-M160 HydrophobicContact SD-CB 4.31Å; L104-M160 HydrophobicContact CD2-SD 4.21Å; L104-M160 HydrophobicContact CG-SD 4.12Å; I108-M160 HydrophobicContact CD1-CE 3.46Å; I108-M160 VanDerWaalsContact CD1-CE 3.46Å; I108-M160 HydrophobicContact CD1-SD 3.77Å; L156-M160 HydrophobicContact CD1-CE 3.74Å; L156-M160 HydrophobicContact CD1-CG 4.43Å; L156-M160 HydrophobicContact CG-CE 4.45Å; L156-M160 HydrophobicContact CG-CG 4.15Å; L156-M160 WeakPolarHBondContact O-CG 3.39Å; L156-M160 PolarHBondContact O-N 3.27Å; A157-M160 PolarHBondContact O-N 3.5Å; A157-M160 VanDerWaalsContact O-N 3.16Å; M160-F162 VanDerWaalsContact C-N 3.29Å; M160-F162 PolarHBondContact O-N 2.85Å; M160-I163 HydrophobicContact CE-CD1 3.69Å; M160-I163 PolarHBondContact O-N 2.98Å; M160-M164 WeakPolarHBondContact O-CB 3.06Å; M160-M164 WeakPolarHBondContact O-CG 3.24Å; M160-M164 PolarHBondContact O-N 3.4Å
161K79.6Confident82Confident139 Ų13964.3 Ų64.360%0.60433%0.332SS*.Hα-helixtrans-57.8-43175.8-172.4176.6-179.2175.70111.7L97 A157 P158 H165L97-K161 HydrophobicContact CD1-CB 4.28Å; L97-K161 HydrophobicContact CD2-CB 4.25Å; L97-K161 HydrophobicContact CD2-CD 4.14Å; L97-K161 HydrophobicContact CD2-CG 4.45Å; A157-K161 PolarHBondContact O-N 3.1Å; P158-K161 PolarHBondContact O-N 3.49Å; K161-H165 WeakPolarHBondContact O-CB 3.46Å; K161-H165 PolarHBondContact O-N 3.37Å
162F82.6Confident80.8Confident129 Ų12967.7 Ų67.757%0.56634%0.343SS*.Hα-helixtrans-64-48.7176.3177.6-105.7000112.3P158 L159 M160 M164 H165 I166P158-F162 PolarHBondContact O-N 2.91Å; L159-F162 PolarHBondContact O-N 2.98Å; M160-F162 VanDerWaalsContact C-N 3.29Å; M160-F162 PolarHBondContact O-N 2.85Å; F162-M164 PolarHBondContact O-N 3.34Å; F162-H165 PolarHBondContact O-N 3.46Å; F162-I166 HydrophobicContact CD1-CD1 3.97Å; F162-I166 HydrophobicContact CE1-CD1 3.42Å; F162-I166 VanDerWaalsContact CE1-CD1 3.42Å; F162-I166 HydrophobicContact CE2-CD1 4.07Å; F162-I166 HydrophobicContact CZ-CD1 3.5Å; F162-I166 VanDerWaalsContact CZ-CD1 3.5Å; F162-I166 HydrophobicContact CZ-CG1 4.45Å; F162-I166 PolarHBondContact O-N 2.93Å; F162-I166 VanDerWaalsContact O-N 3.12Å
163I77.5Confident80.1Confident60 Ų6070.3 Ų70.331%0.30837%0.365SS..Hα-helixtrans-61.8-45.6178.9-68.9174.8000111L104 L159 M160 H165 I166 L167L104-I163 HydrophobicContact CD2-CG2 4.09Å; L159-I163 HydrophobicContact CD1-CD1 4.22Å; L159-I163 HydrophobicContact CD1-CG1 4.47Å; L159-I163 HydrophobicContact CG-CD1 4.04Å; L159-I163 WeakPolarHBondContact O-CG1 3.36Å; L159-I163 PolarHBondContact O-N 2.96Å; M160-I163 HydrophobicContact CE-CD1 3.69Å; M160-I163 PolarHBondContact O-N 2.98Å; I163-H165 VanDerWaalsContact C-N 3.32Å; I163-H165 PolarHBondContact O-N 3.37Å; I163-I166 PolarHBondContact O-N 3.47Å; I163-L167 WeakPolarHBondContact O-CB 3.48Å; I163-L167 PolarHBondContact O-N 3.34Å
164M70.6Confident79.3Confident22 Ų2269.2 Ų69.211%0.10836%0.363CS..Hα-helixtrans-64.2-37.3179-67.8-66.1-10000111.5L104 M160 F162 L167 S168 D210L104-M164 HydrophobicContact CD2-SD 4.37Å; M160-M164 WeakPolarHBondContact O-CB 3.06Å; M160-M164 WeakPolarHBondContact O-CG 3.24Å; M160-M164 PolarHBondContact O-N 3.4Å; F162-M164 PolarHBondContact O-N 3.34Å; M164-L167 PolarHBondContact O-N 2.75Å; M164-S168 WeakPolarHBondContact O-CB 3.22Å; M164-S168 PolarHBondContact O-N 2.9Å; M164-D210 HydrophobicContact CE-CB 4.33Å
165H75.2Confident78.2Confident122 Ų12264.2 Ų64.257%0.56534%0.344SS*.Hα-helixtrans-62.5-47.9175.2-178.458.2000112.1K161 F162 I163 L167 S168 V169K161-H165 WeakPolarHBondContact O-CB 3.46Å; K161-H165 PolarHBondContact O-N 3.37Å; F162-H165 PolarHBondContact O-N 3.46Å; I163-H165 VanDerWaalsContact C-N 3.32Å; I163-H165 PolarHBondContact O-N 3.37Å; H165-L167 VanDerWaalsContact C-N 3.27Å; H165-L167 PolarHBondContact O-N 3.36Å; H165-S168 PolarHBondContact O-N 3.4Å; H165-V169 VanDerWaalsContact O-CG2 3.29Å; H165-V169 WeakPolarHBondContact O-CG2 3.47Å; H165-V169 PolarHBondContact O-N 3.49Å
166I76Confident77.4Confident92 Ų9265.5 Ų65.547%0.47235%0.348SS..Hα-helixtrans-57.6-44.9176.1-67.9171000110.6F162 I163 V169 A170F162-I166 HydrophobicContact CD1-CD1 3.97Å; F162-I166 HydrophobicContact CE1-CD1 3.42Å; F162-I166 VanDerWaalsContact CE1-CD1 3.42Å; F162-I166 HydrophobicContact CE2-CD1 4.07Å; F162-I166 HydrophobicContact CZ-CD1 3.5Å; F162-I166 VanDerWaalsContact CZ-CD1 3.5Å; F162-I166 HydrophobicContact CZ-CG1 4.45Å; F162-I166 PolarHBondContact O-N 2.93Å; F162-I166 VanDerWaalsContact O-N 3.12Å; I163-I166 PolarHBondContact O-N 3.47Å; I166-V169 PolarHBondContact O-N 3.5Å; I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 2.82Å
167L68Low77.3Confident58 Ų5867.2 Ų67.230%0.30436%0.364SS..Hα-helixtrans-70.6-38.7-176.1-162.856.1000111.9I163 M164 H165 A170 V171 L207I163-L167 WeakPolarHBondContact O-CB 3.48Å; I163-L167 PolarHBondContact O-N 3.34Å; M164-L167 PolarHBondContact O-N 2.75Å; H165-L167 VanDerWaalsContact C-N 3.27Å; H165-L167 PolarHBondContact O-N 3.36Å; L167-A170 PolarHBondContact O-N 2.88Å; L167-V171 WeakPolarHBondContact O-CG2 3.4Å; L167-V171 PolarHBondContact O-N 2.79Å; L167-L207 HydrophobicContact CB-CD2 4.16Å; L167-L207 HydrophobicContact CD1-CD1 4.22Å; L167-L207 HydrophobicContact CD2-CD1 3.66Å; L167-L207 HydrophobicContact CD2-CD2 3.51Å; L167-L207 HydrophobicContact CD2-CG 3.75Å; L167-L207 HydrophobicContact CG-CD1 3.66Å; L167-L207 HydrophobicContact CG-CD2 3.6Å; L167-L207 HydrophobicContact CG-CG 4.06Å
168S67.3Low77.1Confident27 Ų2773.9 Ų73.919%0.18940%0.395CS..Hα-helixtrans-60.2-49.6172.4-160.10000110.8M164 H165 A170 V171 E172M164-S168 WeakPolarHBondContact O-CB 3.22Å; M164-S168 PolarHBondContact O-N 2.9Å; H165-S168 PolarHBondContact O-N 3.4Å; S168-A170 VanDerWaalsContact C-N 3.31Å; S168-A170 PolarHBondContact O-N 3.29Å; S168-V171 PolarHBondContact O-N 3.12Å; S168-E172 WeakPolarHBondContact O-CB 3.33Å; S168-E172 VanDerWaalsContact O-CG 3.28Å; S168-E172 WeakPolarHBondContact O-CG 3.33Å; S168-E172 PolarHBondContact O-N 3.43Å; S168-E172 PolarHBondContact OG-OE1 3.22Å
169V74.5Confident77.1Confident70 Ų7074 Ų7442%0.42439%0.391SS..Hα-helixtrans-60.3-41.1178.4171.10000111.3H165 I166 A173H165-V169 VanDerWaalsContact O-CG2 3.29Å; H165-V169 WeakPolarHBondContact O-CG2 3.47Å; H165-V169 PolarHBondContact O-N 3.49Å; I166-V169 PolarHBondContact O-N 3.5Å; V169-A173 VanDerWaalsContact O-CB 3.27Å; V169-A173 WeakPolarHBondContact O-CB 3.21Å; V169-A173 PolarHBondContact O-N 2.66Å
170A73.2Confident77.1Confident46 Ų4670.1 Ų70.138%0.3837%0.371SS..Hα-helixtrans-64.7-44177.400000112.3I166 L167 S168 A173 L174I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 2.82Å; L167-A170 PolarHBondContact O-N 2.88Å; S168-A170 VanDerWaalsContact C-N 3.31Å; S168-A170 PolarHBondContact O-N 3.29Å; A170-A173 PolarHBondContact O-N 2.85Å; A170-L174 WeakPolarHBondContact O-CG 3.19Å; A170-L174 PolarHBondContact O-N 2.88Å; A170-L174 VanDerWaalsContact O-N 3.11Å
171V67Low77.5Confident22 Ų2270.7 Ų70.713%0.13337%0.374CS..Hα-helixtrans-66.3-46176.4172.30000110.9L167 S168 A173 L174 V175 L207 L220L167-V171 WeakPolarHBondContact O-CG2 3.4Å; L167-V171 PolarHBondContact O-N 2.79Å; S168-V171 PolarHBondContact O-N 3.12Å; V171-A173 VanDerWaalsContact C-N 3.3Å; V171-A173 PolarHBondContact O-N 2.78Å; V171-L174 WeakPolarHBondContact O-CB 3.14Å; V171-L174 PolarHBondContact O-N 2.94Å; V171-L174 VanDerWaalsContact O-N 3.12Å; V171-V175 HydrophobicContact CG1-CG2 4.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.04Å; V171-V175 PolarHBondContact O-N 3.21Å; V171-L207 HydrophobicContact CG2-CD1 4.06Å; V171-L220 HydrophobicContact CG1-CD1 4.27Å; V171-L220 HydrophobicContact CG1-CD2 4.19Å
172E71.2Confident78Confident93 Ų9367.8 Ų67.844%0.43537%0.365SS..Hα-helixtrans-58.3-42.9176.4-75.6165.7-14700111S168 L174 V175 H176S168-E172 WeakPolarHBondContact O-CB 3.33Å; S168-E172 VanDerWaalsContact O-CG 3.28Å; S168-E172 WeakPolarHBondContact O-CG 3.33Å; S168-E172 PolarHBondContact O-N 3.43Å; S168-E172 PolarHBondContact OG-OE1 3.22Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 3.47Å; E172-V175 PolarHBondContact O-N 3.29Å; E172-H176 WeakPolarHBondContact O-CB 3.42Å; E172-H176 PolarHBondContact O-CD2 3.07Å; E172-H176 PolarHBondContact O-N 3.32Å
173A79.3Confident78.3Confident56 Ų5662.9 Ų62.946%0.46335%0.345SS..Hα-helixtrans-60.8-41.9174.900000112.3V169 A170 V171 V175 A177V169-A173 VanDerWaalsContact O-CB 3.27Å; V169-A173 WeakPolarHBondContact O-CB 3.21Å; V169-A173 PolarHBondContact O-N 2.66Å; A170-A173 PolarHBondContact O-N 2.85Å; V171-A173 VanDerWaalsContact C-N 3.3Å; V171-A173 PolarHBondContact O-N 2.78Å; A173-V175 VanDerWaalsContact C-N 3.35Å; A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.44Å
174L78.8Confident79Confident65 Ų6560 Ų6034%0.3433%0.331SS..Hα-helixtrans-64.8-38.8175.2-71.1171.7000112.2A170 V171 E172 H178 L179 L180 V183A170-L174 WeakPolarHBondContact O-CG 3.19Å; A170-L174 PolarHBondContact O-N 2.88Å; A170-L174 VanDerWaalsContact O-N 3.11Å; V171-L174 WeakPolarHBondContact O-CB 3.14Å; V171-L174 PolarHBondContact O-N 2.94Å; V171-L174 VanDerWaalsContact O-N 3.12Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 3.47Å; L174-H178 PolarHBondContact O-N 3.4Å; L174-L179 HydrophobicContact CD2-CB 4Å; L174-L179 PolarHBondContact O-N 3.16Å; L174-L180 PolarHBondContact O-N 2.84Å; L174-V183 HydrophobicContact CD1-CG2 4.26Å
175V72Confident80Confident42 Ų4263 Ų6326%0.25535%0.346SS..Hα-helixtrans-69.1-48.5177.5174.60000110.5V171 E172 A173 A177 H178 L180 Q291V171-V175 HydrophobicContact CG1-CG2 4.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.04Å; V171-V175 PolarHBondContact O-N 3.21Å; E172-V175 PolarHBondContact O-N 3.29Å; A173-V175 VanDerWaalsContact C-N 3.35Å; V175-A177 VanDerWaalsContact C-N 3.32Å; V175-A177 PolarHBondContact O-N 3.44Å; V175-H178 PolarHBondContact O-N 2.91Å; V175-H178 VanDerWaalsContact O-N 3.1Å; V175-L180 HydrophobicContact CG2-CD1 4.34Å; V175-L180 HydrophobicContact CG2-CD2 4.25Å; V175-Q291 PolarHBondContact O-NE2 2.8Å
176H77.3Confident80.5Confident150 Ų15063.4 Ų63.469%0.69435%0.352SS*.Hα-helixtrans-64.5-34.6179.5-79.6-63.1000112.9E172 H178E172-H176 WeakPolarHBondContact O-CB 3.42Å; E172-H176 PolarHBondContact O-CD2 3.07Å; E172-H176 PolarHBondContact O-N 3.32Å; H176-H178 PolarHBondContact O-N 3.46Å
177A85.9Confident81.1Confident54 Ų5459.3 Ų59.345%0.44633%0.331SS..THydrogen-bonded Turntrans-80.82176.700000113.6A173 V175 L179A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.44Å; V175-A177 VanDerWaalsContact C-N 3.32Å; V175-A177 PolarHBondContact O-N 3.44Å; A177-L179 HydrophobicContact CB-CB 4.37Å; A177-L179 HydrophobicContact CB-CD1 3.64Å; A177-L179 HydrophobicContact CB-CG 3.61Å; A177-L179 WeakPolarHBondContact O-CG 3.3Å; A177-L179 PolarHBondContact O-N 3.31Å; A177-L179 VanDerWaalsContact O-N 3.14Å
178H82.6Confident82.3Confident143 Ų14356.5 Ų56.566%0.66232%0.317SS*.THydrogen-bonded Turntrans54.426.8-172-61.5-74.6000113.9L174 V175 H176 P181L174-H178 PolarHBondContact O-N 3.4Å; V175-H178 PolarHBondContact O-N 2.91Å; V175-H178 VanDerWaalsContact O-N 3.1Å; H176-H178 PolarHBondContact O-N 3.46Å; H178-P181 WeakPolarHBondContact O-CD 3.46Å
179L88.4Confident83.2Confident77 Ų7756.9 Ų56.940%0.40332%0.318SS..  trans-93.5-6.2-178.6-61.2177.6000112.5L174 A177 P181 L182L174-L179 HydrophobicContact CD2-CB 4Å; L174-L179 PolarHBondContact O-N 3.16Å; A177-L179 HydrophobicContact CB-CB 4.37Å; A177-L179 HydrophobicContact CB-CD1 3.64Å; A177-L179 HydrophobicContact CB-CG 3.61Å; A177-L179 WeakPolarHBondContact O-CG 3.3Å; A177-L179 PolarHBondContact O-N 3.31Å; A177-L179 VanDerWaalsContact O-N 3.14Å; L179-P181 VanDerWaalsContact C-N 3.27Å; L179-L182 HydrophobicContact CB-CD1 4.19Å; L179-L182 HydrophobicContact CD2-CD1 3.64Å; L179-L182 HydrophobicContact CG-CD1 4.43Å; L179-L182 VanDerWaalsContact O-CB 3.24Å; L179-L182 WeakPolarHBondContact O-CB 3.1Å; L179-L182 PolarHBondContact O-N 3.47Å
180L87.7Confident83.5Confident4 Ų454.3 Ų54.32%0.02130%0.304CS..G310 helixtrans-51.4-38.4177.9-164.472000113.7L174 V175 L182 V183 I219 L220 I223 V287L174-L180 PolarHBondContact O-N 2.84Å; V175-L180 HydrophobicContact CG2-CD1 4.34Å; V175-L180 HydrophobicContact CG2-CD2 4.25Å; L180-L182 PolarHBondContact O-N 3Å; L180-V183 HydrophobicContact CD1-CG2 4.22Å; L180-V183 WeakPolarHBondContact O-CB 3.32Å; L180-V183 VanDerWaalsContact O-CG2 3.3Å; L180-V183 WeakPolarHBondContact O-CG2 3.33Å; L180-V183 PolarHBondContact O-N 3.3Å; L180-I219 HydrophobicContact CD2-CD1 3.79Å; L180-I219 HydrophobicContact CD2-CG1 4.12Å; L180-I219 HydrophobicContact CD2-CG2 3.67Å; L180-L220 HydrophobicContact CD1-CD2 4.37Å; L180-I223 HydrophobicContact CD1-CD1 4.21Å; L180-I223 HydrophobicContact CD2-CD1 4.44Å; L180-I223 HydrophobicContact CG-CD1 4.36Å; L180-V287 HydrophobicContact CB-CG1 4.21Å; L180-V287 HydrophobicContact CD2-CG1 3.84Å; L180-V287 HydrophobicContact CG-CG1 3.8Å
181P92.3Very high84Confident14 Ų1452.1 Ų52.19%0.09129%0.286CS..G310 helixtrans-57.4-33.9175.5-27.338.7000112.8H178 L179 V183 S184 M284 V287 A288H178-P181 WeakPolarHBondContact O-CD 3.46Å; L179-P181 VanDerWaalsContact C-N 3.27Å; P181-V183 PolarHBondContact O-N 2.95Å; P181-V183 VanDerWaalsContact O-N 3.11Å; P181-S184 WeakPolarHBondContact O-CB 3.39Å; P181-S184 PolarHBondContact O-N 3.13Å; P181-S184 PolarHBondContact O-OG 3.5Å; P181-M284 HydrophobicContact CB-CB 4.33Å; P181-M284 VanDerWaalsContact O-CG 3.26Å; P181-M284 WeakPolarHBondContact O-CG 3.28Å; P181-V287 HydrophobicContact CG-CG1 4.3Å; P181-A288 HydrophobicContact CB-CB 4.18Å; P181-A288 HydrophobicContact CG-CB 3.68Å
182L91.5Very high84.9Confident78 Ų7851.1 Ų51.141%0.40828%0.28SS..G310 helixtrans-63.7-19.1179.7-58.4177.3000113L179 L180 S184 I185 M284L179-L182 HydrophobicContact CB-CD1 4.19Å; L179-L182 HydrophobicContact CD2-CD1 3.64Å; L179-L182 HydrophobicContact CG-CD1 4.43Å; L179-L182 VanDerWaalsContact O-CB 3.24Å; L179-L182 WeakPolarHBondContact O-CB 3.1Å; L179-L182 PolarHBondContact O-N 3.47Å; L180-L182 PolarHBondContact O-N 3Å; L182-S184 PolarHBondContact O-N 3.21Å; L182-I185 HydrophobicContact CB-CD1 4.31Å; L182-I185 HydrophobicContact CD2-CD1 4Å; L182-I185 VanDerWaalsContact O-CB 3.27Å; L182-I185 WeakPolarHBondContact O-CB 3.28Å; L182-I185 WeakPolarHBondContact O-CG1 3.33Å; L182-I185 PolarHBondContact O-N 3.25Å; L182-M284 HydrophobicContact CD2-CE 3.8Å
183V88.4Confident84.9Confident25 Ų2550 Ų5015%0.15228%0.279CS..G310 helixtrans-58.1-29.4173.9175.90000111.1L174 L180 P181 I185 L186 V187 F204 I223L174-V183 HydrophobicContact CD1-CG2 4.26Å; L180-V183 HydrophobicContact CD1-CG2 4.22Å; L180-V183 WeakPolarHBondContact O-CB 3.32Å; L180-V183 VanDerWaalsContact O-CG2 3.3Å; L180-V183 WeakPolarHBondContact O-CG2 3.33Å; L180-V183 PolarHBondContact O-N 3.3Å; P181-V183 PolarHBondContact O-N 2.95Å; P181-V183 VanDerWaalsContact O-N 3.11Å; V183-I185 PolarHBondContact O-N 3.41Å; V183-L186 PolarHBondContact O-N 2.64Å; V183-V187 HydrophobicContact CG1-CG2 3.52Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 3.29Å; V183-F204 HydrophobicContact CG1-CZ 3.92Å; V183-I223 HydrophobicContact CG1-CG2 4.41Å
184S92.2Very high84.4Confident0 Ų048.4 Ų48.40%026%0.262CS..Hα-helixtrans-60.8-24175.2-62.30000113.8P181 L182 L186 E188 G283 M284P181-S184 WeakPolarHBondContact O-CB 3.39Å; P181-S184 PolarHBondContact O-N 3.13Å; P181-S184 PolarHBondContact O-OG 3.5Å; L182-S184 PolarHBondContact O-N 3.21Å; S184-L186 PolarHBondContact O-N 3.17Å; S184-E188 WeakPolarHBondContact O-CB 3.43Å; S184-E188 WeakPolarHBondContact O-CG 3.36Å; S184-E188 PolarHBondContact O-N 3.22Å; S184-G283 PolarHBondContact OG-O 3.22Å; S184-M284 PolarHBondContact OG-N 2.75Å
185I90.4Very high83.8Confident84 Ų8447.5 Ų47.543%0.43126%0.257SS..Hα-helixtrans-61.5-33.6173.5-62171.2000110.9L182 V183 P189 I280 M284L182-I185 HydrophobicContact CB-CD1 4.31Å; L182-I185 HydrophobicContact CD2-CD1 4Å; L182-I185 VanDerWaalsContact O-CB 3.27Å; L182-I185 WeakPolarHBondContact O-CB 3.28Å; L182-I185 WeakPolarHBondContact O-CG1 3.33Å; L182-I185 PolarHBondContact O-N 3.25Å; V183-I185 PolarHBondContact O-N 3.41Å; I185-P189 WeakPolarHBondContact O-CD 3.31Å; I185-P189 VanDerWaalsContact O-CG 3.26Å; I185-P189 WeakPolarHBondContact O-CG 3.49Å; I185-I280 HydrophobicContact CG1-CG2 3.89Å; I185-M284 HydrophobicContact CG1-SD 4.28Å
186L86.3Confident83.8Confident132 Ų13246 Ų4669%0.69125%0.248SC*.Hα-helixtrans-91.3-45.8177.5-63.5176000111.2V183 S184 A190V183-L186 PolarHBondContact O-N 2.64Å; S184-L186 PolarHBondContact O-N 3.17Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.01Å; L186-A190 VanDerWaalsContact O-N 3.1Å
187V88.5Confident83.1Confident5 Ų541 Ų413%0.0323%0.227CC..Hα-helixtrans-69-44.8-170.8174.30000112.3V183 A190 K191 I199 F204 I223 E224V183-V187 HydrophobicContact CG1-CG2 3.52Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 3.29Å; V187-A190 PolarHBondContact O-N 3.31Å; V187-K191 VanDerWaalsContact O-CB 3.23Å; V187-K191 WeakPolarHBondContact O-CB 3.47Å; V187-K191 PolarHBondContact O-N 3.15Å; V187-I199 HydrophobicContact CG1-CG2 4.36Å; V187-I199 HydrophobicContact CG2-CG2 4.13Å; V187-F204 HydrophobicContact CG1-CE2 4.41Å; V187-F204 HydrophobicContact CG2-CE2 3.82Å; V187-F204 HydrophobicContact CG2-CZ 3.78Å; V187-I223 HydrophobicContact CB-CG2 4.49Å; V187-I223 HydrophobicContact CG1-CG2 4.26Å; V187-I223 HydrophobicContact CG2-CG2 4.26Å; V187-E224 HydrophobicContact CG1-CB 4.05Å; V187-E224 HydrophobicContact CG1-CG 4.1Å
188E92.7Very high81.9Confident0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-67.3-45-174.9-64.8-68.6166.700112.3S184 K191 I192 V279 I280S184-E188 WeakPolarHBondContact O-CB 3.43Å; S184-E188 WeakPolarHBondContact O-CG 3.36Å; S184-E188 PolarHBondContact O-N 3.22Å; E188-K191 PolarHBondContact O-N 3.28Å; E188-I192 PolarHBondContact O-N 3.14Å; E188-V279 HydrophobicContact CB-CB 4.39Å; E188-V279 HydrophobicContact CB-CG2 4.04Å; E188-I280 HydrophobicContact CB-CG1 4.09Å
189P87.5Confident81.2Confident34 Ų3434.3 Ų34.322%0.22119%0.191CC..Hα-helixtrans-64.1-44.5172.2-25.538.1000112.7I185 K191 I192 V193 F276 I280I185-P189 WeakPolarHBondContact O-CD 3.31Å; I185-P189 VanDerWaalsContact O-CG 3.26Å; I185-P189 WeakPolarHBondContact O-CG 3.49Å; P189-K191 VanDerWaalsContact C-N 3.26Å; P189-K191 PolarHBondContact O-N 3.47Å; P189-I192 PolarHBondContact O-N 2.98Å; P189-V193 WeakPolarHBondContact O-CG2 3.31Å; P189-V193 PolarHBondContact O-N 3.38Å; P189-V193 VanDerWaalsContact O-N 3.08Å; P189-F276 HydrophobicContact CB-CD1 4.04Å; P189-F276 HydrophobicContact CB-CE1 4.07Å; P189-F276 HydrophobicContact CG-CD1 4.16Å; P189-I280 HydrophobicContact CG-CD1 3.82Å; P189-I280 HydrophobicContact CG-CG1 4.07Å
190A81.3Confident80.5Confident16 Ų1631.3 Ų31.313%0.13218%0.175CC..Hα-helixtrans-59.6-38.1-179.700000112L186 V187 V193 F194 L195 I199L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.01Å; L186-A190 VanDerWaalsContact O-N 3.1Å; V187-A190 PolarHBondContact O-N 3.31Å; A190-V193 CarbonylContact O-C 3.47Å; A190-V193 WeakPolarHBondContact O-CG2 3.15Å; A190-V193 PolarHBondContact O-N 2.89Å; A190-F194 PolarHBondContact O-N 2.76Å; A190-L195 HydrophobicContact CB-CB 4.09Å; A190-L195 HydrophobicContact CB-CD1 4.29Å; A190-L195 WeakPolarHBondContact O-CB 3.48Å; A190-L195 PolarHBondContact O-N 3.29Å; A190-I199 HydrophobicContact CB-CD1 3.31Å
191K83.9Confident79.4Confident1 Ų132.1 Ų32.10%0.00418%0.179CC..Iπ-helixtrans-59.2-49.5174.9169.6174.9-171161.20112.1V187 E188 P189 V193 F194 N196 E224 H262 F266V187-K191 VanDerWaalsContact O-CB 3.23Å; V187-K191 WeakPolarHBondContact O-CB 3.47Å; V187-K191 PolarHBondContact O-N 3.15Å; E188-K191 PolarHBondContact O-N 3.28Å; P189-K191 VanDerWaalsContact C-N 3.26Å; P189-K191 PolarHBondContact O-N 3.47Å; K191-V193 VanDerWaalsContact C-N 3.27Å; K191-V193 PolarHBondContact O-N 3.2Å; K191-F194 WeakPolarHBondContact O-CA 3.28Å; K191-F194 PolarHBondContact O-N 2.85Å; K191-N196 HydrophobicContact CB-CB 4.19Å; K191-N196 HydrophobicContact CG-CB 4Å; K191-E224 HydrophobicContact CD-CG 4.36Å; K191-E224 WeakPolarHBondContact CD-OE1 3.14Å; K191-E224 WeakPolarHBondContact CE-OE1 3.46Å; K191-E224 PolarHBondContact NZ-O 3.49Å; K191-E224 IonicContact NZ-OE1 3.57Å; K191-E224 PolarHBondContact NZ-OE1 3.36Å; K191-E224 VanDerWaalsContact NZ-OE1 3.08Å; K191-H262 VanDerWaalsContact CE-CB 3.42Å; K191-H262 PolarHBondContact NZ-ND1 3.15Å; K191-F266 HydrophobicContact CD-CE1 4.38Å; K191-F266 HydrophobicContact CD-CZ 4.4Å; K191-F266 HydrophobicContact CG-CE1 3.79Å; K191-F266 HydrophobicContact CG-CZ 3.47Å; K191-F266 VanDerWaalsContact CG-CZ 3.47Å; K191-F266 WeakPolarHBondContact O-CE2 3.35Å; K191-F266 VanDerWaalsContact O-CZ 3.26Å; K191-F266 WeakPolarHBondContact O-CZ 3.14Å
192I83.9Confident77.9Confident1 Ų132.1 Ų32.11%0.00518%0.181CC..Iπ-helixtrans-66-30.4-179.8-66.7162.6000111.8E188 P189 F194 Y265 F266 V269 L270 F276 V279E188-I192 PolarHBondContact O-N 3.14Å; P189-I192 PolarHBondContact O-N 2.98Å; I192-F194 PolarHBondContact O-N 2.96Å; I192-Y265 HydrophobicContact CD1-CE2 4.35Å; I192-Y265 HydrophobicContact CG1-CE2 4.34Å; I192-F266 HydrophobicContact CB-CD1 4.39Å; I192-F266 HydrophobicContact CB-CG 4.34Å; I192-F266 HydrophobicContact CG1-CD1 3.77Å; I192-F266 HydrophobicContact CG1-CE1 4.06Å; I192-F266 HydrophobicContact CG1-CG 4.2Å; I192-F266 HydrophobicContact CG2-CB 4.19Å; I192-F266 HydrophobicContact CG2-CG 4.28Å; I192-V269 HydrophobicContact CD1-CB 4.02Å; I192-V269 HydrophobicContact CD1-CG1 3.72Å; I192-V269 HydrophobicContact CD1-CG2 4.07Å; I192-L270 HydrophobicContact CG2-CD2 4.06Å; I192-L270 HydrophobicContact CG2-CG 4.14Å; I192-F276 HydrophobicContact CB-CE1 3.8Å; I192-F276 HydrophobicContact CB-CZ 4.23Å; I192-F276 HydrophobicContact CD1-CD1 3.77Å; I192-F276 HydrophobicContact CD1-CE1 3.46Å; I192-F276 VanDerWaalsContact CD1-CE1 3.46Å; I192-F276 HydrophobicContact CD1-CZ 4.32Å; I192-F276 HydrophobicContact CG1-CE1 4.23Å; I192-F276 HydrophobicContact CG2-CE1 3.84Å; I192-F276 HydrophobicContact CG2-CZ 3.76Å; I192-V279 HydrophobicContact CD1-CG2 3.88Å
193V71.5Confident76.9Confident69 Ų6931.5 Ų31.542%0.41818%0.181SC..Iπ-helixtrans-88.520.3171.3-55.30000113.5P189 A190 K191 L195P189-V193 WeakPolarHBondContact O-CG2 3.31Å; P189-V193 PolarHBondContact O-N 3.38Å; P189-V193 VanDerWaalsContact O-N 3.08Å; A190-V193 CarbonylContact O-C 3.47Å; A190-V193 WeakPolarHBondContact O-CG2 3.15Å; A190-V193 PolarHBondContact O-N 2.89Å; K191-V193 VanDerWaalsContact C-N 3.27Å; K191-V193 PolarHBondContact O-N 3.2Å; V193-L195 HydrophobicContact CG2-CD1 4.22Å; V193-L195 HydrophobicContact CG2-CG 4.32Å; V193-L195 PolarHBondContact O-N 2.77Å
194F69.6Low76.6Confident23 Ų2331.2 Ų31.210%0.10118%0.178CC..Iπ-helixtrans66.527.3171.4-51.8-83.8000116.9A190 K191 I192 N196 E263 F266 M357 T360 K361A190-F194 PolarHBondContact O-N 2.76Å; K191-F194 WeakPolarHBondContact O-CA 3.28Å; K191-F194 PolarHBondContact O-N 2.85Å; I192-F194 PolarHBondContact O-N 2.96Å; F194-N196 VanDerWaalsContact C-N 3.29Å; F194-E263 HydrophobicContact CD1-CG 4.4Å; F194-E263 HydrophobicContact CE1-CG 4.19Å; F194-F266 HydrophobicContact CD1-CD2 4.31Å; F194-F266 HydrophobicContact CD1-CE2 4.13Å; F194-F266 AromaticContact CE1-CD2 3.92Å; F194-F266 HydrophobicContact CE1-CD2 3.92Å; F194-F266 HydrophobicContact CE1-CE2 4.15Å; F194-F266 HydrophobicContact CZ-CD2 4.32Å; F194-M357 HydrophobicContact CE1-CG 4.11Å; F194-M357 HydrophobicContact CE1-SD 3.7Å; F194-M357 HydrophobicContact CE2-CB 4.44Å; F194-M357 HydrophobicContact CE2-CG 3.93Å; F194-M357 WeakPolarHBondContact CE2-O 3.4Å; F194-M357 HydrophobicContact CE2-SD 4.48Å; F194-M357 HydrophobicContact CZ-CB 4.05Å; F194-M357 HydrophobicContact CZ-CG 3.24Å; F194-M357 WeakPolarHBondContact CZ-O 3.48Å; F194-M357 HydrophobicContact CZ-SD 3.31Å; F194-M357 WeakPolarHBondContact CZ-SD 3.41Å; F194-T360 HydrophobicContact CD2-CG2 3.93Å; F194-T360 HydrophobicContact CE2-CG2 4.24Å; F194-K361 HydrophobicContact CD1-CB 3.93Å; F194-K361 HydrophobicContact CD1-CD 3.76Å; F194-K361 HydrophobicContact CD1-CG 3.65Å; F194-K361 HydrophobicContact CD2-CB 4.15Å; F194-K361 HydrophobicContact CE1-CB 3.73Å; F194-K361 HydrophobicContact CE1-CD 3.52Å; F194-K361 HydrophobicContact CE1-CG 3.74Å; F194-K361 HydrophobicContact CE2-CB 3.98Å; F194-K361 HydrophobicContact CG-CB 4.05Å; F194-K361 HydrophobicContact CG-CG 4.07Å; F194-K361 HydrophobicContact CZ-CB 3.66Å; F194-K361 HydrophobicContact CZ-CD 4.25Å; F194-K361 HydrophobicContact CZ-CG 4.21Å
195L65.8Low75.8Confident46 Ų4631.4 Ų31.424%0.24118%0.179CC..Iπ-helixtrans-92.47.4168.1-59.4175.3000112V14 A190 V193 N197 A198 I199V14-L195 HydrophobicContact CG1-CD2 4Å; A190-L195 HydrophobicContact CB-CB 4.09Å; A190-L195 HydrophobicContact CB-CD1 4.29Å; A190-L195 WeakPolarHBondContact O-CB 3.48Å; A190-L195 PolarHBondContact O-N 3.29Å; V193-L195 HydrophobicContact CG2-CD1 4.22Å; V193-L195 HydrophobicContact CG2-CG 4.32Å; V193-L195 PolarHBondContact O-N 2.77Å; L195-N197 PolarHBondContact O-N 3.03Å; L195-A198 PolarHBondContact O-N 2.96Å; L195-I199 HydrophobicContact CB-CD1 4.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.23Å; L195-I199 PolarHBondContact O-N 3.43Å
196N71.7Confident74.8Confident11 Ų1127.8 Ų27.86%0.05916%0.16CC..Hα-helixtrans-56.2-47.1-179.964-38.2000112.5K191 F194 A198 I199 N200 E224K191-N196 HydrophobicContact CB-CB 4.19Å; K191-N196 HydrophobicContact CG-CB 4Å; F194-N196 VanDerWaalsContact C-N 3.29Å; N196-A198 VanDerWaalsContact C-N 3.31Å; N196-A198 PolarHBondContact O-N 3.22Å; N196-I199 PolarHBondContact O-N 3.39Å; N196-N200 VanDerWaalsContact O-CB 3.24Å; N196-N200 WeakPolarHBondContact O-CB 3.4Å; N196-N200 PolarHBondContact O-N 2.79Å; N196-E224 HydrophobicContact CB-CG 4.44Å
197N63.3Low74.5Confident45 Ų4522.2 Ų22.224%0.24113%0.131CC..Hα-helixtrans-63.9-38180-70-11.2000112S22 L195 H201S22-N197 PolarHBondContact OG-ND2 2.98Å; S22-N197 VanDerWaalsContact OG-ND2 3.08Å; L195-N197 PolarHBondContact O-N 3.03Å; N197-H201 WeakPolarHBondContact O-CB 3.45Å; N197-H201 PolarHBondContact O-N 2.94Å
198A59.7Low74.3Confident24 Ų2422 Ų2220%0.19813%0.13CC..Hα-helixtrans-69.1-41.6178.600000111.5L195 N196 G202 V203L195-A198 PolarHBondContact O-N 2.96Å; N196-A198 VanDerWaalsContact C-N 3.31Å; N196-A198 PolarHBondContact O-N 3.22Å; A198-G202 CarbonylContact O-C 2.94Å; A198-G202 WeakPolarHBondContact O-CA 3.25Å; A198-G202 PolarHBondContact O-N 2.94Å; A198-V203 PolarHBondContact O-N 3.25Å
199I69.7Low73.6Confident32 Ų3222.1 Ų22.116%0.16413%0.131CC..Hα-helixtrans-71-53.5179.4-70170.2000110.7V187 A190 L195 N196 V203 F204V187-I199 HydrophobicContact CG1-CG2 4.36Å; V187-I199 HydrophobicContact CG2-CG2 4.13Å; A190-I199 HydrophobicContact CB-CD1 3.31Å; L195-I199 HydrophobicContact CB-CD1 4.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.23Å; L195-I199 PolarHBondContact O-N 3.43Å; N196-I199 PolarHBondContact O-N 3.39Å; I199-V203 WeakPolarHBondContact O-CA 3.19Å; I199-V203 WeakPolarHBondContact O-CB 3.45Å; I199-V203 PolarHBondContact O-N 2.67Å; I199-V203 VanDerWaalsContact O-N 3.08Å; I199-F204 HydrophobicContact CG2-CD2 3.62Å; I199-F204 HydrophobicContact CG2-CE2 3.23Å; I199-F204 HydrophobicContact CG2-CZ 3.99Å; I199-F204 PolarHBondContact O-N 2.68Å
200N71.8Confident73Confident13 Ų1321.1 Ų21.17%0.0712%0.124CC..Iπ-helixtrans-67.3-55.6-175.1-169.1-5.4000110.7N196 F204 T205 E224N196-N200 VanDerWaalsContact O-CB 3.24Å; N196-N200 WeakPolarHBondContact O-CB 3.4Å; N196-N200 PolarHBondContact O-N 2.79Å; N200-F204 PolarHBondContact O-N 3.22Å; N200-T205 WeakPolarHBondContact O-CB 3.49Å; N200-T205 PolarHBondContact O-N 3.06Å; N200-T205 PolarHBondContact O-OG1 2.59Å; N200-E224 HydrophobicContact CB-CB 4.23Å; N200-E224 HydrophobicContact CB-CG 4.18Å; N200-E224 WeakPolarHBondContact CB-OE2 3.15Å; N200-E224 PolarHBondContact ND2-OE2 3.35Å
201H66.1Low73Confident21 Ų2123.2 Ų23.210%0.09713%0.131CC..Iπ-helixtrans-87.5-24.8-174.2-58.6-51.2000114.1I25 N197 P206I25-H201 HydrophobicContact CB-CB 4.49Å; I25-H201 HydrophobicContact CD1-CB 3.5Å; I25-H201 WeakPolarHBondContact CD1-O 3.46Å; I25-H201 HydrophobicContact CG2-CB 4.07Å; N197-H201 WeakPolarHBondContact O-CB 3.45Å; N197-H201 PolarHBondContact O-N 2.94Å; H201-P206 WeakPolarHBondContact O-CD 3.47Å
202G60.1Low73Confident14 Ų1423.8 Ų23.814%0.14414%0.136CC..Iπ-helixtrans-87.7-26.4177.600000114.7A198A198-G202 CarbonylContact O-C 2.94Å; A198-G202 WeakPolarHBondContact O-CA 3.25Å; A198-G202 PolarHBondContact O-N 2.94Å
203V70.5Confident72.6Confident66 Ų6626.8 Ų26.840%0.416%0.161SC..Iπ-helixtrans-120-61-176-174.50000112A198 I199 P206 L207A198-V203 PolarHBondContact O-N 3.25Å; I199-V203 WeakPolarHBondContact O-CA 3.19Å; I199-V203 WeakPolarHBondContact O-CB 3.45Å; I199-V203 PolarHBondContact O-N 2.67Å; I199-V203 VanDerWaalsContact O-N 3.08Å; V203-P206 WeakPolarHBondContact O-CD 3.31Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 WeakPolarHBondContact O-CB 3.45Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.15Å
204F81.6Confident73Confident19 Ų1930.2 Ų30.28%0.08317%0.17CC..Iπ-helixtrans-72.2-34.5-172.3-64.9-41.7000113.7V183 V187 I199 N200 G208 L220 I223 E224V183-F204 HydrophobicContact CG1-CZ 3.92Å; V187-F204 HydrophobicContact CG1-CE2 4.41Å; V187-F204 HydrophobicContact CG2-CE2 3.82Å; V187-F204 HydrophobicContact CG2-CZ 3.78Å; I199-F204 HydrophobicContact CG2-CD2 3.62Å; I199-F204 HydrophobicContact CG2-CE2 3.23Å; I199-F204 HydrophobicContact CG2-CZ 3.99Å; I199-F204 PolarHBondContact O-N 2.68Å; N200-F204 PolarHBondContact O-N 3.22Å; F204-G208 WeakPolarHBondContact O-CA 3.14Å; F204-G208 PolarHBondContact O-N 3.44Å; F204-L220 HydrophobicContact CB-CB 4.34Å; F204-L220 HydrophobicContact CD1-CB 4.26Å; F204-L220 HydrophobicContact CD1-CD2 4.22Å; F204-L220 HydrophobicContact CE1-CD2 4.43Å; F204-I223 HydrophobicContact CE1-CD1 4.1Å; F204-I223 HydrophobicContact CE2-CB 4.15Å; F204-I223 HydrophobicContact CE2-CG2 3.9Å; F204-I223 HydrophobicContact CZ-CB 4.44Å; F204-I223 HydrophobicContact CZ-CD1 4.16Å; F204-I223 HydrophobicContact CZ-CG2 4.04Å; F204-E224 HydrophobicContact CD2-CB 4.44Å
205T75.9Confident73.6Confident4 Ų432.4 Ų32.43%0.02519%0.193CC..Hα-helixtrans-65.4-50.5-179.1-64.40000111.8F32 L103 N200 L207 A209 P300F32-T205 HydrophobicContact CE1-CG2 4.02Å; L103-T205 HydrophobicContact CD1-CG2 4.45Å; N200-T205 WeakPolarHBondContact O-CB 3.49Å; N200-T205 PolarHBondContact O-N 3.06Å; N200-T205 PolarHBondContact O-OG1 2.59Å; T205-L207 PolarHBondContact O-N 3.18Å; T205-A209 WeakPolarHBondContact O-CB 3.4Å; T205-A209 PolarHBondContact O-N 3.43Å; T205-P300 HydrophobicContact CG2-CG 3.73Å
206P70.6Confident74.4Confident7 Ų732.2 Ų32.25%0.04520%0.202CC..Hα-helixtrans-61.6-42.8175.6-24.935000113.8L103 H201 V203 A209 D210L103-P206 HydrophobicContact CB-CB 4.25Å; L103-P206 HydrophobicContact CB-CG 4.21Å; H201-P206 WeakPolarHBondContact O-CD 3.47Å; V203-P206 WeakPolarHBondContact O-CD 3.31Å; P206-A209 PolarHBondContact O-N 2.96Å; P206-D210 PolarHBondContact O-N 3.34Å
207L78.8Confident75.1Confident15 Ų1534.3 Ų34.38%0.07921%0.211CC..Hα-helixtrans-68.6-42.3179.6-75.1176.9000113.2L167 V171 V203 T205 A209 D210 Q211 L220L167-L207 HydrophobicContact CB-CD2 4.16Å; L167-L207 HydrophobicContact CD1-CD1 4.22Å; L167-L207 HydrophobicContact CD2-CD1 3.66Å; L167-L207 HydrophobicContact CD2-CD2 3.51Å; L167-L207 HydrophobicContact CD2-CG 3.75Å; L167-L207 HydrophobicContact CG-CD1 3.66Å; L167-L207 HydrophobicContact CG-CD2 3.6Å; L167-L207 HydrophobicContact CG-CG 4.06Å; V171-L207 HydrophobicContact CG2-CD1 4.06Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 WeakPolarHBondContact O-CB 3.45Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.15Å; T205-L207 PolarHBondContact O-N 3.18Å; L207-A209 PolarHBondContact O-N 3.45Å; L207-D210 PolarHBondContact O-N 3.26Å; L207-Q211 WeakPolarHBondContact O-CB 3.33Å; L207-Q211 PolarHBondContact O-N 3.5Å; L207-L220 HydrophobicContact CB-CD1 3.56Å; L207-L220 HydrophobicContact CD1-CD1 4.44Å
208G83.6Confident76.4Confident0 Ų032.2 Ų32.20%020%0.2CC..Hα-helixtrans-64.4-32.6175.600000111.7F204 A212 S218 Y221F204-G208 WeakPolarHBondContact O-CA 3.14Å; F204-G208 PolarHBondContact O-N 3.44Å; G208-A212 WeakPolarHBondContact O-CB 3.5Å; G208-A212 PolarHBondContact O-N 3.01Å; G208-S218 WeakPolarHBondContact CA-OG 3.31Å; G208-S218 WeakPolarHBondContact O-CB 3.49Å; G208-Y221 PolarHBondContact O-OH 2.87Å
209A78.7Confident77.9Confident4 Ų431.9 Ų31.93%0.03320%0.195CC..Hα-helixtrans-68.4-43.5176.700000111.7P101 L103 T205 P206 L207 A213 Y221P101-A209 HydrophobicContact CB-CB 4.39Å; P101-A209 HydrophobicContact CG-CB 4.27Å; L103-A209 HydrophobicContact CD1-CB 4.37Å; T205-A209 WeakPolarHBondContact O-CB 3.4Å; T205-A209 PolarHBondContact O-N 3.43Å; P206-A209 PolarHBondContact O-N 2.96Å; L207-A209 PolarHBondContact O-N 3.45Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.27Å; A209-Y221 WeakPolarHBondContact CA-OH 3.44Å; A209-Y221 WeakPolarHBondContact CB-OH 3.42Å; A209-Y221 PolarHBondContact N-OH 3.24Å
210D76Confident78.8Confident12 Ų1230.6 Ų30.66%0.06419%0.188CC..Hα-helixtrans-63.1-45.4174.2-173.768.5000111.8T100 M164 P206 L207 A213 K214T100-D210 WeakPolarHBondContact CG2-OD1 3.21Å; M164-D210 HydrophobicContact CE-CB 4.33Å; P206-D210 PolarHBondContact O-N 3.34Å; L207-D210 PolarHBondContact O-N 3.26Å; D210-A213 PolarHBondContact O-N 3.29Å; D210-K214 PolarHBondContact O-N 2.94Å; D210-K214 IonicContact OD1-NZ 2.74Å; D210-K214 PolarHBondContact OD1-NZ 3.44Å; D210-K214 IonicContact OD2-NZ 3.33Å; D210-K214 PolarHBondContact OD2-NZ 3.36Å
211Q80.8Confident79.7Confident61 Ų6130 Ų3029%0.28519%0.185SC..Hα-helixtrans-65.7-44.4178.6-171.9-179.71900111.9L207 A213 K214 A215 S218L207-Q211 WeakPolarHBondContact O-CB 3.33Å; L207-Q211 PolarHBondContact O-N 3.5Å; Q211-A213 VanDerWaalsContact C-N 3.33Å; Q211-A213 PolarHBondContact O-N 3.08Å; Q211-K214 PolarHBondContact O-N 2.91Å; Q211-A215 WeakPolarHBondContact O-CB 3.39Å; Q211-A215 PolarHBondContact O-N 3.37Å; Q211-S218 PolarHBondContact OE1-OG 3.49Å
212A83.4Confident80.9Confident13 Ų1329.1 Ų29.111%0.10718%0.181CC..Hα-helixtrans-69-30.6179.300000112.5G208 K214 G216 Y221G208-A212 WeakPolarHBondContact O-CB 3.5Å; G208-A212 PolarHBondContact O-N 3.01Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 2.77Å; A212-G216 CarbonylContact O-C 3.58Å; A212-G216 WeakPolarHBondContact O-CA 3.15Å; A212-G216 PolarHBondContact O-N 2.95Å; A212-Y221 HydrophobicContact CB-CE2 4Å
213A75.7Confident82.4Confident64 Ų6428.5 Ų28.553%0.52917%0.174SC..Hα-helixtrans-63.4-34.7173.400000112.2A209 D210 Q211A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.27Å; D210-A213 PolarHBondContact O-N 3.29Å; Q211-A213 VanDerWaalsContact C-N 3.33Å; Q211-A213 PolarHBondContact O-N 3.08Å
214K79.4Confident83.3Confident140 Ų14025.9 Ų25.961%0.60916%0.158SC*.Hα-helixtrans-89.4-44.1-179.8-66169.5-173.9155.70113.5D210 Q211 A212D210-K214 PolarHBondContact O-N 2.94Å; D210-K214 IonicContact OD1-NZ 2.74Å; D210-K214 PolarHBondContact OD1-NZ 3.44Å; D210-K214 IonicContact OD2-NZ 3.33Å; D210-K214 PolarHBondContact OD2-NZ 3.36Å; Q211-K214 PolarHBondContact O-N 2.91Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 2.77Å
215A82.7Confident83.8Confident70 Ų7025.1 Ų25.158%0.57916%0.155SC*.Hα-helixtrans-103.1-1-172.200000113.7Q211 Q217Q211-A215 WeakPolarHBondContact O-CB 3.39Å; Q211-A215 PolarHBondContact O-N 3.37Å; A215-Q217 PolarHBondContact O-N 3.33Å
216G82.9Confident84.7Confident41 Ų4125.1 Ų25.142%0.42315%0.154SC..SBendtrans79.2-16.6-177.600000114.9A212 K298A212-G216 CarbonylContact O-C 3.58Å; A212-G216 WeakPolarHBondContact O-CA 3.15Å; A212-G216 PolarHBondContact O-N 2.95Å; G216-K298 WeakPolarHBondContact O-CG 3.37Å
217Q87Confident85.9Confident56 Ų5624.8 Ų24.826%0.26215%0.152SC..  trans-155.7163.8178.261.9-176.52.200112.1A215 G294 G296 F297A215-Q217 PolarHBondContact O-N 3.33Å; Q217-G294 PolarHBondContact NE2-O 3.22Å; Q217-G296 PolarHBondContact OE1-O 2.86Å; Q217-F297 CarbonylContact C-O 3.39Å; Q217-F297 VanDerWaalsContact CA-O 3.28Å; Q217-F297 WeakPolarHBondContact CA-O 3.47Å
218S89.3Confident86.7Confident1 Ų124 Ų241%0.00715%0.149CC..BIsolated β-bridgetrans-139.9132.3173.91790000111.9G208 Q211 L220 G296 F297G208-S218 WeakPolarHBondContact CA-OG 3.31Å; G208-S218 WeakPolarHBondContact O-CB 3.49Å; Q211-S218 PolarHBondContact OE1-OG 3.49Å; S218-L220 PolarHBondContact O-N 3.12Å; S218-L220 WeakPolarHBondContact OG-CB 3.14Å; S218-L220 PolarHBondContact OG-N 3.46Å; S218-L220 VanDerWaalsContact OG-N 3.11Å; S218-G296 WeakPolarHBondContact O-CA 3.36Å; S218-F297 PolarHBondContact N-O 3.49Å; S218-F297 PolarHBondContact O-N 3.48Å
219I91.6Very high87.4Confident17 Ų1724.1 Ų24.19%0.08715%0.149CC..G310 helixtrans-66.4-25.2170.7-171.8164.4000112.1L180 Y221 T222 Q291L180-I219 HydrophobicContact CD2-CD1 3.79Å; L180-I219 HydrophobicContact CD2-CG1 4.12Å; L180-I219 HydrophobicContact CD2-CG2 3.67Å; I219-Y221 PolarHBondContact O-N 3.43Å; I219-T222 WeakPolarHBondContact O-CB 3.39Å; I219-T222 PolarHBondContact O-N 3.12Å; I219-T222 PolarHBondContact O-OG1 3.33Å; I219-Q291 HydrophobicContact CD1-CB 3.84Å
220L88.9Confident88.2Confident4 Ų424 Ų242%0.02115%0.148CC..G310 helixtrans-61.1-30.7-176.6-59.9179.9000112.3V171 L180 F204 L207 S218 T222 I223V171-L220 HydrophobicContact CG1-CD1 4.27Å; V171-L220 HydrophobicContact CG1-CD2 4.19Å; L180-L220 HydrophobicContact CD1-CD2 4.37Å; F204-L220 HydrophobicContact CB-CB 4.34Å; F204-L220 HydrophobicContact CD1-CB 4.26Å; F204-L220 HydrophobicContact CD1-CD2 4.22Å; F204-L220 HydrophobicContact CE1-CD2 4.43Å; L207-L220 HydrophobicContact CB-CD1 3.56Å; L207-L220 HydrophobicContact CD1-CD1 4.44Å; S218-L220 PolarHBondContact O-N 3.12Å; S218-L220 WeakPolarHBondContact OG-CB 3.14Å; S218-L220 PolarHBondContact OG-N 3.46Å; S218-L220 VanDerWaalsContact OG-N 3.11Å; L220-T222 PolarHBondContact O-N 2.98Å; L220-T222 VanDerWaalsContact O-N 3.17Å; L220-I223 HydrophobicContact CD2-CD1 3.69Å; L220-I223 PolarHBondContact O-N 3.29Å
221Y90Very high89.2Confident2 Ų224.8 Ų24.81%0.00815%0.152CC..G310 helixtrans-67.9-7.8175.1-64.2-43.5000114.8G208 A209 A212 I219 S225 F297 P300G208-Y221 PolarHBondContact O-OH 2.87Å; A209-Y221 WeakPolarHBondContact CA-OH 3.44Å; A209-Y221 WeakPolarHBondContact CB-OH 3.42Å; A209-Y221 PolarHBondContact N-OH 3.24Å; A212-Y221 HydrophobicContact CB-CE2 4Å; I219-Y221 PolarHBondContact O-N 3.43Å; Y221-S225 PolarHBondContact O-OG 3.37Å; Y221-F297 HydrophobicContact CD2-CB 4.12Å; Y221-F297 VanDerWaalsContact CD2-O 3.29Å; Y221-F297 WeakPolarHBondContact CD2-O 3.09Å; Y221-P300 HydrophobicContact CD1-CB 4.16Å; Y221-P300 HydrophobicContact CD1-CG 3.92Å; Y221-P300 HydrophobicContact CE1-CB 4.3Å; Y221-P300 HydrophobicContact CE1-CG 3.55Å
222T92.1Very high90Very high1 Ų121.9 Ų21.91%0.00614%0.138CC..G310 helixtrans-103.5-14.5-179.373.70000113.1I219 L220 N226 Y290 F295 F297 Y309I219-T222 WeakPolarHBondContact O-CB 3.39Å; I219-T222 PolarHBondContact O-N 3.12Å; I219-T222 PolarHBondContact O-OG1 3.33Å; L220-T222 PolarHBondContact O-N 2.98Å; L220-T222 VanDerWaalsContact O-N 3.17Å; T222-N226 WeakPolarHBondContact O-CB 3.3Å; T222-N226 PolarHBondContact O-N 3.44Å; T222-Y290 HydrophobicContact CG2-CD2 4.09Å; T222-Y290 HydrophobicContact CG2-CE2 4.21Å; T222-Y290 WeakPolarHBondContact OG1-CD2 3.49Å; T222-F295 HydrophobicContact CG2-CD1 4.02Å; T222-F295 HydrophobicContact CG2-CE1 3.81Å; T222-F297 HydrophobicContact CG2-CD2 3.64Å; T222-F297 HydrophobicContact CG2-CE2 3.77Å; T222-F297 HydrophobicContact CG2-CG 4.36Å; T222-Y309 PolarHBondContact O-OH 3.37Å
223I91.4Very high90.7Very high2 Ų221.2 Ų21.21%0.0113%0.133CC..THydrogen-bonded Turntrans-68.2-59.3-168.1-62.7178.4000111.1L180 V183 V187 F204 L220 V287L180-I223 HydrophobicContact CD1-CD1 4.21Å; L180-I223 HydrophobicContact CD2-CD1 4.44Å; L180-I223 HydrophobicContact CG-CD1 4.36Å; V183-I223 HydrophobicContact CG1-CG2 4.41Å; V187-I223 HydrophobicContact CB-CG2 4.49Å; V187-I223 HydrophobicContact CG1-CG2 4.26Å; V187-I223 HydrophobicContact CG2-CG2 4.26Å; F204-I223 HydrophobicContact CE1-CD1 4.1Å; F204-I223 HydrophobicContact CE2-CB 4.15Å; F204-I223 HydrophobicContact CE2-CG2 3.9Å; F204-I223 HydrophobicContact CZ-CB 4.44Å; F204-I223 HydrophobicContact CZ-CD1 4.16Å; F204-I223 HydrophobicContact CZ-CG2 4.04Å; L220-I223 HydrophobicContact CD2-CD1 3.69Å; L220-I223 PolarHBondContact O-N 3.29Å; I223-V287 HydrophobicContact CB-CG2 4.44Å; I223-V287 HydrophobicContact CG1-CG2 4.09Å; I223-V287 HydrophobicContact CG2-CG2 4.3Å
224E89.4Confident91.7Very high10 Ų1018.2 Ų18.25%0.04711%0.108CC..THydrogen-bonded Turntrans-82.6-31.8-176.9-169-79.1137.200112.1V187 K191 N196 N200 F204 N226V187-E224 HydrophobicContact CG1-CB 4.05Å; V187-E224 HydrophobicContact CG1-CG 4.1Å; K191-E224 HydrophobicContact CD-CG 4.36Å; K191-E224 WeakPolarHBondContact CD-OE1 3.14Å; K191-E224 WeakPolarHBondContact CE-OE1 3.46Å; K191-E224 PolarHBondContact NZ-O 3.49Å; K191-E224 IonicContact NZ-OE1 3.57Å; K191-E224 PolarHBondContact NZ-OE1 3.36Å; K191-E224 VanDerWaalsContact NZ-OE1 3.08Å; N196-E224 HydrophobicContact CB-CG 4.44Å; N200-E224 HydrophobicContact CB-CB 4.23Å; N200-E224 HydrophobicContact CB-CG 4.18Å; N200-E224 WeakPolarHBondContact CB-OE2 3.15Å; N200-E224 PolarHBondContact ND2-OE2 3.35Å; F204-E224 HydrophobicContact CD2-CB 4.44Å; E224-N226 VanDerWaalsContact C-N 3.31Å; E224-N226 PolarHBondContact O-N 2.83Å
225S91.2Very high92.6Very high3 Ų314.4 Ų14.42%0.0219%0.094CC..THydrogen-bonded Turntrans-80-5.8-171.954.40000113.9Y221 P227 H262 Y309Y221-S225 PolarHBondContact O-OG 3.37Å; S225-P227 VanDerWaalsContact O-CD 3.3Å; S225-P227 WeakPolarHBondContact O-CD 3.45Å; S225-H262 PolarHBondContact O-CE1 3.04Å; S225-Y309 VanDerWaalsContact O-CE2 3.28Å; S225-Y309 WeakPolarHBondContact O-CE2 3.29Å; S225-Y309 PolarHBondContact O-OH 3.01Å; S225-Y309 PolarHBondContact OG-OH 3.15Å
226N94.8Very high93.2Very high4 Ų411.1 Ų11.12%0.0217%0.067CC..  trans-63.9120.2-177-168.8-22.8000110.5T222 E224 G228 P229 Y309T222-N226 WeakPolarHBondContact O-CB 3.3Å; T222-N226 PolarHBondContact O-N 3.44Å; E224-N226 VanDerWaalsContact C-N 3.31Å; E224-N226 PolarHBondContact O-N 2.83Å; N226-G228 VanDerWaalsContact C-N 3.28Å; N226-G228 PolarHBondContact O-N 2.76Å; N226-G228 WeakPolarHBondContact OD1-CA 3.07Å; N226-G228 PolarHBondContact OD1-N 3.18Å; N226-P229 WeakPolarHBondContact O-CD 3.47Å; N226-Y309 WeakPolarHBondContact CA-OH 3.06Å; N226-Y309 PolarHBondContact N-OH 3Å
227P95.5Very high93.8Very high0 Ų09.4 Ų9.40%05%0.048CC..SBendtrans-79.4-13.2178.732.5-35.1000112.4S225 L231 H256 F257 V325S225-P227 VanDerWaalsContact O-CD 3.3Å; S225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-L231 WeakPolarHBondContact O-CB 3.34Å; P227-L231 PolarHBondContact O-N 3.21Å; P227-H256 PolarHBondContact O-NE2 3.18Å; P227-F257 HydrophobicContact CB-CD2 3.99Å; P227-F257 HydrophobicContact CB-CE2 4.5Å; P227-F257 HydrophobicContact CG-CD2 4.16Å; P227-F257 HydrophobicContact CG-CE2 4.19Å; P227-V325 HydrophobicContact CG-CG1 4.11Å
228G97.1Very high94.2Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-54.4-55.5-177.300000114N226 G230 L231 G232 V325 A329N226-G228 VanDerWaalsContact C-N 3.28Å; N226-G228 PolarHBondContact O-N 2.76Å; N226-G228 WeakPolarHBondContact OD1-CA 3.07Å; N226-G228 PolarHBondContact OD1-N 3.18Å; G228-G230 PolarHBondContact O-N 2.84Å; G228-L231 WeakPolarHBondContact O-CB 3.34Å; G228-L231 PolarHBondContact O-N 2.63Å; G228-L231 VanDerWaalsContact O-N 3.1Å; G228-G232 PolarHBondContact O-N 3.11Å; G228-V325 WeakPolarHBondContact CA-O 3.15Å; G228-A329 WeakPolarHBondContact O-CA 3.27Å; G228-A329 WeakPolarHBondContact O-CB 3.4Å
229P97.1Very high94.5Very high1 Ų112.4 Ų12.41%0.0066%0.064CC..Hα-helixtrans-56.5-46.2-176.5-25.935000113.3N226 G232 I233 V279 A328 S332N226-P229 WeakPolarHBondContact O-CD 3.47Å; P229-G232 PolarHBondContact O-N 3.17Å; P229-I233 PolarHBondContact O-N 2.81Å; P229-V279 HydrophobicContact CB-CB 4.42Å; P229-A328 HydrophobicContact CG-CB 4.17Å; P229-S332 WeakPolarHBondContact O-CB 3.5Å; P229-S332 PolarHBondContact O-OG 3.47Å
230G96.2Very high94.5Very high1 Ų116.4 Ų16.41%0.018%0.081CC..Hα-helixtrans-67.1-38177.100000113.2G228 G232 I233 L234G228-G230 PolarHBondContact O-N 2.84Å; G230-G232 VanDerWaalsContact C-N 3.31Å; G230-G232 PolarHBondContact O-N 3.28Å; G230-I233 PolarHBondContact O-N 2.97Å; G230-L234 WeakPolarHBondContact O-CG 3.02Å; G230-L234 PolarHBondContact O-N 3.11Å; G230-L234 VanDerWaalsContact O-N 3.15Å
231L97.7Very high94.5Very high29 Ų2916.7 Ų16.715%0.1528%0.084CC..Hα-helixtrans-62.2-41.2176.1177.764.7000110.8P227 G228 I233 L234 L235 H256 F257 A329P227-L231 WeakPolarHBondContact O-CB 3.34Å; P227-L231 PolarHBondContact O-N 3.21Å; G228-L231 WeakPolarHBondContact O-CB 3.34Å; G228-L231 PolarHBondContact O-N 2.63Å; G228-L231 VanDerWaalsContact O-N 3.1Å; L231-I233 VanDerWaalsContact C-N 3.35Å; L231-I233 PolarHBondContact O-N 2.72Å; L231-L234 PolarHBondContact O-N 2.92Å; L231-L235 HydrophobicContact CD1-CD1 4.33Å; L231-L235 HydrophobicContact CD1-CG 4.1Å; L231-L235 HydrophobicContact CD2-CD1 4.41Å; L231-L235 HydrophobicContact CG-CD1 3.92Å; L231-L235 HydrophobicContact CG-CG 4.17Å; L231-L235 WeakPolarHBondContact O-CB 3.11Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.23Å; L231-H256 PolarHBondContact N-CD2 3.09Å; L231-H256 PolarHBondContact N-NE2 2.92Å; L231-F257 HydrophobicContact CB-CD2 4.35Å; L231-F257 HydrophobicContact CD1-CB 4.3Å; L231-F257 HydrophobicContact CD1-CG 4.48Å; L231-F257 HydrophobicContact CD2-CD2 3.6Å; L231-F257 HydrophobicContact CD2-CE2 3.7Å; L231-F257 HydrophobicContact CD2-CG 4.17Å; L231-F257 HydrophobicContact CD2-CZ 4.34Å; L231-F257 HydrophobicContact CG-CD2 4.36Å; L231-A329 HydrophobicContact CB-CB 4.48Å; L231-A329 HydrophobicContact CD2-CB 4.27Å
232G97.7Very high94.3Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-58.1-43.6177.300000113.1G228 P229 G230 A236 A329 F333G228-G232 PolarHBondContact O-N 3.11Å; P229-G232 PolarHBondContact O-N 3.17Å; G230-G232 VanDerWaalsContact C-N 3.31Å; G230-G232 PolarHBondContact O-N 3.28Å; G232-A236 WeakPolarHBondContact O-CB 3.37Å; G232-A236 PolarHBondContact O-N 3.44Å; G232-A329 VanDerWaalsContact CA-O 3.29Å; G232-A329 WeakPolarHBondContact CA-O 3.42Å; G232-F333 WeakPolarHBondContact O-CA 3.34Å
233I97.4Very high94Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-60.5-48.3174.6-60.3-54.5000111.2P229 G230 L231 A236 Y237 V269 L275 A278 V279 S332 A336P229-I233 PolarHBondContact O-N 2.81Å; G230-I233 PolarHBondContact O-N 2.97Å; L231-I233 VanDerWaalsContact C-N 3.35Å; L231-I233 PolarHBondContact O-N 2.72Å; I233-A236 VanDerWaalsContact O-CB 3.32Å; I233-A236 WeakPolarHBondContact O-CB 3.34Å; I233-A236 PolarHBondContact O-N 2.65Å; I233-A236 VanDerWaalsContact O-N 3.12Å; I233-Y237 HydrophobicContact CG2-CD2 4.03Å; I233-Y237 HydrophobicContact CG2-CE2 4.14Å; I233-Y237 WeakPolarHBondContact O-CD2 3.36Å; I233-Y237 PolarHBondContact O-N 3.4Å; I233-V269 HydrophobicContact CG1-CG2 4.24Å; I233-V269 HydrophobicContact CG2-CG2 4.26Å; I233-L275 HydrophobicContact CD1-CB 4.25Å; I233-L275 HydrophobicContact CD1-CD2 4.29Å; I233-L275 HydrophobicContact CG2-CD1 4.26Å; I233-A278 HydrophobicContact CD1-CB 3.55Å; I233-V279 HydrophobicContact CD1-CG1 3.92Å; I233-V279 HydrophobicContact CG1-CG1 3.54Å; I233-S332 WeakPolarHBondContact CD1-OG 3.23Å; I233-A336 HydrophobicContact CD1-CB 3.72Å
234L96.9Very high93.6Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-65.8-42.2-176.5-67.7172.5000111.5G230 L231 A236 Y237 M238 A252 H256 Y268G230-L234 WeakPolarHBondContact O-CG 3.02Å; G230-L234 PolarHBondContact O-N 3.11Å; G230-L234 VanDerWaalsContact O-N 3.15Å; L231-L234 PolarHBondContact O-N 2.92Å; L234-A236 PolarHBondContact O-N 3.44Å; L234-Y237 PolarHBondContact O-N 3.46Å; L234-Y237 VanDerWaalsContact O-N 3.13Å; L234-M238 HydrophobicContact CB-CE 4.18Å; L234-M238 VanDerWaalsContact O-CG 3.3Å; L234-M238 WeakPolarHBondContact O-CG 3.5Å; L234-M238 PolarHBondContact O-N 3Å; L234-A252 HydrophobicContact CD1-CB 4.26Å; L234-A252 HydrophobicContact CD2-CB 3.8Å; L234-H256 HydrophobicContact CD1-CB 3.77Å; L234-Y268 HydrophobicContact CD2-CD1 4.39Å; L234-Y268 HydrophobicContact CD2-CD2 3.73Å; L234-Y268 HydrophobicContact CD2-CE1 4.38Å; L234-Y268 HydrophobicContact CD2-CE2 3.7Å; L234-Y268 HydrophobicContact CD2-CG 4.07Å
235L97.4Very high93.5Very high61 Ų6128.5 Ų28.532%0.31916%0.159SC..Hα-helixtrans-57.6-38.4172-73.2172.8000111.7L231 M238 I239 F333L231-L235 HydrophobicContact CD1-CD1 4.33Å; L231-L235 HydrophobicContact CD1-CG 4.1Å; L231-L235 HydrophobicContact CD2-CD1 4.41Å; L231-L235 HydrophobicContact CG-CD1 3.92Å; L231-L235 HydrophobicContact CG-CG 4.17Å; L231-L235 WeakPolarHBondContact O-CB 3.11Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.23Å; L235-M238 HydrophobicContact CD2-CE 4.49Å; L235-M238 HydrophobicContact CD2-SD 3.94Å; L235-M238 PolarHBondContact O-N 3.47Å; L235-I239 PolarHBondContact O-N 2.91Å; L235-F333 HydrophobicContact CB-CD2 3.68Å; L235-F333 HydrophobicContact CB-CE2 4.17Å
236A96.8Very high93.5Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-64.2-44.9177.300000110.3G232 I233 L234 I239 F240 F333 A336 M340G232-A236 WeakPolarHBondContact O-CB 3.37Å; G232-A236 PolarHBondContact O-N 3.44Å; I233-A236 VanDerWaalsContact O-CB 3.32Å; I233-A236 WeakPolarHBondContact O-CB 3.34Å; I233-A236 PolarHBondContact O-N 2.65Å; I233-A236 VanDerWaalsContact O-N 3.12Å; L234-A236 PolarHBondContact O-N 3.44Å; A236-I239 PolarHBondContact O-N 3.29Å; A236-F240 PolarHBondContact O-N 2.93Å; A236-F333 HydrophobicContact CB-CD2 3.9Å; A236-F333 HydrophobicContact CB-CE2 4.24Å; A236-A336 HydrophobicContact CB-CB 3.62Å; A236-M340 VanDerWaalsContact C-CE 3.45Å; A236-M340 HydrophobicContact CB-CE 3.24Å; A236-M340 WeakPolarHBondContact O-CE 3.2Å
237Y94.8Very high93.2Very high5 Ų535.1 Ų35.12%0.0220%0.2CC..Hα-helixtrans-66-33.8175-88.7-86.7000113.5I233 L234 I239 G241 A245 Y268 L275 M340I233-Y237 HydrophobicContact CG2-CD2 4.03Å; I233-Y237 HydrophobicContact CG2-CE2 4.14Å; I233-Y237 WeakPolarHBondContact O-CD2 3.36Å; I233-Y237 PolarHBondContact O-N 3.4Å; L234-Y237 PolarHBondContact O-N 3.46Å; L234-Y237 VanDerWaalsContact O-N 3.13Å; Y237-I239 VanDerWaalsContact C-N 3.28Å; Y237-I239 PolarHBondContact O-N 2.98Å; Y237-G241 WeakPolarHBondContact O-CA 3.42Å; Y237-G241 PolarHBondContact O-N 3Å; Y237-A245 HydrophobicContact CD1-CB 3.72Å; Y237-A245 HydrophobicContact CE1-CB 3.75Å; Y237-Y268 AromaticContact CD1-CD1 3.85Å; Y237-Y268 HydrophobicContact CD1-CD1 3.85Å; Y237-Y268 HydrophobicContact CD1-CE1 4.36Å; Y237-Y268 AromaticContact CD2-CD1 3.68Å; Y237-Y268 HydrophobicContact CD2-CD1 3.68Å; Y237-Y268 HydrophobicContact CD2-CG 4.24Å; Y237-Y268 HydrophobicContact CE1-CD1 4.06Å; Y237-Y268 AromaticContact CE2-CD1 3.92Å; Y237-Y268 HydrophobicContact CE2-CD1 3.92Å; Y237-Y268 HydrophobicContact CE2-CG 4.28Å; Y237-Y268 AromaticContact CG-CD1 3.64Å; Y237-Y268 HydrophobicContact CG-CD1 3.64Å; Y237-Y268 HydrophobicContact CG-CE1 4.26Å; Y237-Y268 PolarHBondContact OH-O 3.47Å; Y237-Y268 VanDerWaalsContact OH-O 3.09Å; Y237-L275 HydrophobicContact CE2-CD1 3.64Å; Y237-M340 HydrophobicContact CD2-SD 4.2Å; Y237-M340 HydrophobicContact CE2-SD 4.16Å; Y237-M340 HydrophobicContact CG-SD 4.38Å
238M95Very high92.7Very high24 Ų2435.9 Ų35.912%0.11820%0.204CC..Hα-helixtrans-60.9-39.2174.8-69.5172.2-156.200111.3L234 L235 K246 S249 Y250L234-M238 HydrophobicContact CB-CE 4.18Å; L234-M238 VanDerWaalsContact O-CG 3.3Å; L234-M238 WeakPolarHBondContact O-CG 3.5Å; L234-M238 PolarHBondContact O-N 3Å; L235-M238 HydrophobicContact CD2-CE 4.49Å; L235-M238 HydrophobicContact CD2-SD 3.94Å; L235-M238 PolarHBondContact O-N 3.47Å; M238-K246 WeakPolarHBondContact O-CE 3.29Å; M238-K246 PolarHBondContact O-NZ 3.45Å; M238-S249 WeakPolarHBondContact CA-OG 3.4Å; M238-S249 WeakPolarHBondContact CE-O 3.33Å; M238-S249 WeakPolarHBondContact CG-OG 3.37Å; M238-S249 PolarHBondContact N-OG 3.11Å; M238-Y250 HydrophobicContact CB-CE1 4.1Å; M238-Y250 HydrophobicContact CB-CE2 4.48Å; M238-Y250 HydrophobicContact CG-CD1 3.98Å; M238-Y250 HydrophobicContact CG-CD2 4.41Å; M238-Y250 HydrophobicContact CG-CE1 4.01Å; M238-Y250 HydrophobicContact CG-CE2 4.43Å; M238-Y250 HydrophobicContact CG-CG 4.19Å; M238-Y250 PolarHBondContact O-OH 3.49Å; M238-Y250 HydrophobicContact SD-CD1 4.05Å; M238-Y250 HydrophobicContact SD-CE1 4.29Å
239I94.7Very high92.4Very high96 Ų9635.9 Ų35.949%0.49220%0.204SC..Hα-helixtrans-87.4-54.7-176.8-61.9177.8000111.2L235 A236 Y237 K246 F333L235-I239 PolarHBondContact O-N 2.91Å; A236-I239 PolarHBondContact O-N 3.29Å; Y237-I239 VanDerWaalsContact C-N 3.28Å; Y237-I239 PolarHBondContact O-N 2.98Å; I239-K246 PolarHBondContact O-NZ 3.41Å; I239-F333 HydrophobicContact CD1-CE2 3.85Å; I239-F333 HydrophobicContact CD1-CZ 3.78Å
240F92.8Very high92.2Very high102 Ų10241.7 Ų41.745%0.44723%0.227SC..Hα-helixtrans-105.4-5.9-169.1-57.8-76.3000114.6A236 F333 A337 M340A236-F240 PolarHBondContact O-N 2.93Å; F240-F333 HydrophobicContact CE2-CE2 4.38Å; F240-F333 HydrophobicContact CE2-CZ 4.15Å; F240-A337 HydrophobicContact CD2-CB 3.87Å; F240-A337 HydrophobicContact CE2-CB 3.55Å; F240-A337 HydrophobicContact CZ-CB 4.35Å; F240-M340 HydrophobicContact CB-CE 3.81Å; F240-M340 HydrophobicContact CD2-CE 4.24Å; F240-M340 HydrophobicContact CG-CE 4.46Å
241G88.3Confident91.8Very high9 Ų943.2 Ų43.29%0.09324%0.243CC..  trans-65.7162.8176.100000112.3Y237 K246Y237-G241 WeakPolarHBondContact O-CA 3.42Å; Y237-G241 PolarHBondContact O-N 3Å; G241-K246 VanDerWaalsContact O-CD 3.26Å; G241-K246 WeakPolarHBondContact O-CD 3.45Å
242K85.6Confident91.4Very high145 Ų14541.8 Ų41.863%0.6324%0.235SC*.  trans-125.4155.8174.3-61.4-177.3-172.8173.50110.1E345K242-E345 IonicContact NZ-OE1 2.67Å; K242-E345 PolarHBondContact NZ-OE1 2.81Å
243G86.5Confident91.2Very high62 Ų6242 Ų4264%0.63924%0.237SC*.Hα-helixtrans56.2-142.1173.600000113.8A245 K246 A247G243-A245 VanDerWaalsContact C-N 3.28Å; G243-A245 PolarHBondContact O-N 2.7Å; G243-K246 PolarHBondContact O-N 3.19Å; G243-K246 VanDerWaalsContact O-N 3.12Å; G243-A247 PolarHBondContact O-N 3.29Å
244T83.7Confident90.9Very high53 Ų5347.1 Ų47.133%0.32526%0.263SS..Hα-helixtrans-55.3-39.4-178.850.20000113.2K246 A247 T248 D375T244-K246 VanDerWaalsContact C-N 3.31Å; T244-K246 PolarHBondContact O-N 3.41Å; T244-A247 PolarHBondContact O-N 3.34Å; T244-T248 WeakPolarHBondContact O-CB 3.34Å; T244-T248 WeakPolarHBondContact O-CG2 3.28Å; T244-T248 PolarHBondContact O-N 3.21Å; T244-T248 PolarHBondContact O-OG1 2.77Å; T244-D375 WeakPolarHBondContact CG2-OD2 3.38Å
245A87Confident90.4Very high4 Ų449.9 Ų49.93%0.03328%0.278CS..Hα-helixtrans-61-39.5179.300000112Y237 G243 T248 S249 Y268 M271Y237-A245 HydrophobicContact CD1-CB 3.72Å; Y237-A245 HydrophobicContact CE1-CB 3.75Å; G243-A245 VanDerWaalsContact C-N 3.28Å; G243-A245 PolarHBondContact O-N 2.7Å; A245-T248 PolarHBondContact O-OG1 2.73Å; A245-S249 VanDerWaalsContact O-CB 3.27Å; A245-S249 WeakPolarHBondContact O-CB 3.41Å; A245-S249 PolarHBondContact O-N 2.74Å; A245-S249 VanDerWaalsContact O-N 3.16Å; A245-Y268 HydrophobicContact CB-CE1 4.32Å; A245-Y268 WeakPolarHBondContact O-CE1 3.29Å; A245-M271 HydrophobicContact CB-CE 4.04Å; A245-M271 HydrophobicContact CB-SD 4.34Å
246K91.2Very high90.1Very high76 Ų7647 Ų4733%0.3326%0.262SS..Hα-helixtrans-67.5-50.5174.3177.9163.4173.9159.80111.6M238 I239 G241 G243 T244 T248 S249 Y250M238-K246 WeakPolarHBondContact O-CE 3.29Å; M238-K246 PolarHBondContact O-NZ 3.45Å; I239-K246 PolarHBondContact O-NZ 3.41Å; G241-K246 VanDerWaalsContact O-CD 3.26Å; G241-K246 WeakPolarHBondContact O-CD 3.45Å; G243-K246 PolarHBondContact O-N 3.19Å; G243-K246 VanDerWaalsContact O-N 3.12Å; T244-K246 VanDerWaalsContact C-N 3.31Å; T244-K246 PolarHBondContact O-N 3.41Å; K246-T248 VanDerWaalsContact C-N 3.27Å; K246-T248 PolarHBondContact O-N 2.83Å; K246-S249 PolarHBondContact O-N 3.33Å; K246-S249 PolarHBondContact O-OG 2.97Å; K246-Y250 HydrophobicContact CG-CE2 4.28Å; K246-Y250 VanDerWaalsContact O-CD2 3.31Å; K246-Y250 WeakPolarHBondContact O-CD2 3.38Å
247A87.2Confident90.1Very high70 Ų7049 Ų4958%0.57927%0.271SS*.Hα-helixtrans-57.1-41.8-177.200000112.4G243 T244G243-A247 PolarHBondContact O-N 3.29Å; T244-A247 PolarHBondContact O-N 3.34Å
248T84.9Confident89.9Confident16 Ų1652.4 Ų52.410%0.09829%0.29CS..Hα-helixtrans-79.5-26.4-176.955.60000113.4T244 A245 K246 Y250 G251 A252 Y268 L350 L371T244-T248 WeakPolarHBondContact O-CB 3.34Å; T244-T248 WeakPolarHBondContact O-CG2 3.28Å; T244-T248 PolarHBondContact O-N 3.21Å; T244-T248 PolarHBondContact O-OG1 2.77Å; A245-T248 PolarHBondContact O-OG1 2.73Å; K246-T248 VanDerWaalsContact C-N 3.27Å; K246-T248 PolarHBondContact O-N 2.83Å; T248-Y250 PolarHBondContact O-N 3.08Å; T248-G251 PolarHBondContact O-N 2.81Å; T248-A252 WeakPolarHBondContact O-CB 3.38Å; T248-A252 PolarHBondContact O-N 3.04Å; T248-Y268 VanDerWaalsContact C-OH 3.23Å; T248-Y268 VanDerWaalsContact CB-OH 3.29Å; T248-Y268 WeakPolarHBondContact CB-OH 3.21Å; T248-Y268 PolarHBondContact O-OH 3.31Å; T248-Y268 PolarHBondContact OG1-OH 3.45Å; T248-L350 HydrophobicContact CG2-CD2 4.15Å; T248-L350 WeakPolarHBondContact OG1-CD2 3.4Å; T248-L371 HydrophobicContact CG2-CB 4.3Å; T248-L371 WeakPolarHBondContact CG2-O 3.24Å
249S92.2Very high89.3Confident0 Ų053 Ų530%030%0.301CS..Hα-helixtrans-60.5-29.6-176.866.70000113.5M238 A245 K246 A252 G253 Y268M238-S249 WeakPolarHBondContact CA-OG 3.4Å; M238-S249 WeakPolarHBondContact CE-O 3.33Å; M238-S249 WeakPolarHBondContact CG-OG 3.37Å; M238-S249 PolarHBondContact N-OG 3.11Å; A245-S249 VanDerWaalsContact O-CB 3.27Å; A245-S249 WeakPolarHBondContact O-CB 3.41Å; A245-S249 PolarHBondContact O-N 2.74Å; A245-S249 VanDerWaalsContact O-N 3.16Å; K246-S249 PolarHBondContact O-N 3.33Å; K246-S249 PolarHBondContact O-OG 2.97Å; S249-A252 PolarHBondContact O-N 3.36Å; S249-G253 PolarHBondContact O-N 3.43Å; S249-Y268 WeakPolarHBondContact CA-OH 3.27Å; S249-Y268 PolarHBondContact N-OH 3.48Å
250Y92.7Very high88.9Confident122 Ų12248.7 Ų48.748%0.47828%0.281SS..Hα-helixtrans-61.7-54.3176-68.7-84.7000112.1M238 K246 T248 A252 G253 I254M238-Y250 HydrophobicContact CB-CE1 4.1Å; M238-Y250 HydrophobicContact CB-CE2 4.48Å; M238-Y250 HydrophobicContact CG-CD1 3.98Å; M238-Y250 HydrophobicContact CG-CD2 4.41Å; M238-Y250 HydrophobicContact CG-CE1 4.01Å; M238-Y250 HydrophobicContact CG-CE2 4.43Å; M238-Y250 HydrophobicContact CG-CG 4.19Å; M238-Y250 PolarHBondContact O-OH 3.49Å; M238-Y250 HydrophobicContact SD-CD1 4.05Å; M238-Y250 HydrophobicContact SD-CE1 4.29Å; K246-Y250 HydrophobicContact CG-CE2 4.28Å; K246-Y250 VanDerWaalsContact O-CD2 3.31Å; K246-Y250 WeakPolarHBondContact O-CD2 3.38Å; T248-Y250 PolarHBondContact O-N 3.08Å; Y250-A252 VanDerWaalsContact C-N 3.33Å; Y250-G253 PolarHBondContact O-N 2.93Å; Y250-I254 PolarHBondContact O-N 3.5Å
251G88.2Confident88.5Confident33 Ų3346.5 Ų46.534%0.3427%0.274SS..Hα-helixtrans-65-40.2176.900000111.5T248 G253 I254 I255T248-G251 PolarHBondContact O-N 2.81Å; G251-G253 VanDerWaalsContact C-N 3.29Å; G251-G253 PolarHBondContact O-N 3.34Å; G251-I254 PolarHBondContact O-N 3.44Å; G251-I255 WeakPolarHBondContact O-CD1 3.34Å; G251-I255 WeakPolarHBondContact O-CG1 3.49Å; G251-I255 PolarHBondContact O-N 2.83Å; G251-I255 VanDerWaalsContact O-N 3.1Å
252A89.1Confident88.5Confident0 Ų046.5 Ų46.50%027%0.271CS..Hα-helixtrans-58.7-41.8175.100000112.1L234 T248 S249 Y250 I254 I255 H256 I264 Y268 L371L234-A252 HydrophobicContact CD1-CB 4.26Å; L234-A252 HydrophobicContact CD2-CB 3.8Å; T248-A252 WeakPolarHBondContact O-CB 3.38Å; T248-A252 PolarHBondContact O-N 3.04Å; S249-A252 PolarHBondContact O-N 3.36Å; Y250-A252 VanDerWaalsContact C-N 3.33Å; A252-I254 PolarHBondContact O-N 3.47Å; A252-I255 PolarHBondContact O-N 3.12Å; A252-H256 WeakPolarHBondContact O-CB 3.39Å; A252-H256 PolarHBondContact O-N 3.26Å; A252-I264 HydrophobicContact CB-CD1 4.15Å; A252-I264 HydrophobicContact CB-CG1 4Å; A252-I264 HydrophobicContact CB-CG2 4.29Å; A252-I264 WeakPolarHBondContact O-CG2 3.5Å; A252-Y268 HydrophobicContact CB-CE2 4.01Å; A252-L371 HydrophobicContact CB-CD2 4.01Å
253G93.2Very high88.4Confident4 Ų441 Ų414%0.04125%0.247CC..Hα-helixtrans-58.8-47.1178.400000112.7S249 Y250 G251 F257S249-G253 PolarHBondContact O-N 3.43Å; Y250-G253 PolarHBondContact O-N 2.93Å; G251-G253 VanDerWaalsContact C-N 3.29Å; G251-G253 PolarHBondContact O-N 3.34Å; G253-F257 WeakPolarHBondContact O-CB 3.48Å; G253-F257 PolarHBondContact O-N 2.9Å
254I91.6Very high88.3Confident107 Ų10738 Ų3855%0.54922%0.217SC..Hα-helixtrans-64-49.2179.2-63.9170.6000110.5Y250 G251 A252 H256 F257 L258Y250-I254 PolarHBondContact O-N 3.5Å; G251-I254 PolarHBondContact O-N 3.44Å; A252-I254 PolarHBondContact O-N 3.47Å; I254-H256 PolarHBondContact O-N 3.31Å; I254-F257 PolarHBondContact O-N 2.91Å; I254-L258 HydrophobicContact CG2-CD1 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 PolarHBondContact O-N 2.89Å
255I86.5Confident88.6Confident58 Ų5835.5 Ų35.530%0.29720%0.202SC..Hα-helixtrans-68.9-37.5-176-61.9162.6000111.4G251 A252 G259 G260 I261 I264 V367G251-I255 WeakPolarHBondContact O-CD1 3.34Å; G251-I255 WeakPolarHBondContact O-CG1 3.49Å; G251-I255 PolarHBondContact O-N 2.83Å; G251-I255 VanDerWaalsContact O-N 3.1Å; A252-I255 PolarHBondContact O-N 3.12Å; I255-G259 CarbonylContact O-C 3.43Å; I255-G259 VanDerWaalsContact O-C 3.3Å; I255-G259 WeakPolarHBondContact O-CA 3.39Å; I255-G259 PolarHBondContact O-N 2.85Å; I255-G260 PolarHBondContact O-N 3.28Å; I255-G260 VanDerWaalsContact O-N 3.12Å; I255-I261 HydrophobicContact CG2-CB 4.05Å; I255-I261 HydrophobicContact CG2-CD1 3.82Å; I255-I261 HydrophobicContact CG2-CG1 4.17Å; I255-I261 PolarHBondContact O-N 3.49Å; I255-I264 HydrophobicContact CB-CD1 3.77Å; I255-I264 HydrophobicContact CD1-CD1 3.76Å; I255-I264 HydrophobicContact CG1-CD1 4.38Å; I255-I264 HydrophobicContact CG2-CD1 3.83Å; I255-V367 HydrophobicContact CD1-CG1 3.76Å; I255-V367 HydrophobicContact CG2-CG1 3.89Å
256H91.1Very high88.8Confident0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-61.8-57.8172.4172.467000111P227 L231 L234 A252 I254 G260 H262 I264 Y265P227-H256 PolarHBondContact O-NE2 3.18Å; L231-H256 PolarHBondContact N-CD2 3.09Å; L231-H256 PolarHBondContact N-NE2 2.92Å; L234-H256 HydrophobicContact CD1-CB 3.77Å; A252-H256 WeakPolarHBondContact O-CB 3.39Å; A252-H256 PolarHBondContact O-N 3.26Å; I254-H256 PolarHBondContact O-N 3.31Å; H256-G260 WeakPolarHBondContact O-CA 3.48Å; H256-G260 PolarHBondContact O-N 2.91Å; H256-H262 AromaticContact CE1-CG 3.97Å; H256-H262 AromaticContact CE1-ND1 3.37Å; H256-H262 PolarHBondContact CE1-ND1 3.13Å; H256-H262 AromaticContact ND1-ND1 3.95Å; H256-I264 HydrophobicContact CB-CG2 3.61Å; H256-Y265 AromaticContact CE1-CD1 3.56Å; H256-Y265 AromaticContact CE1-CE1 3.67Å; H256-Y265 AromaticContact ND1-CD1 3.48Å; H256-Y265 WeakPolarHBondContact ND1-CD1 3.34Å; H256-Y265 AromaticContact ND1-CE1 3.97Å
257F95.6Very high88.6Confident42 Ų4231.7 Ų31.718%0.18418%0.184CC..Hα-helixtrans-73.9-44.2-168.9-173.2-111.8000112.9P227 L231 G253 I254 F306 V325P227-F257 HydrophobicContact CB-CD2 3.99Å; P227-F257 HydrophobicContact CB-CE2 4.5Å; P227-F257 HydrophobicContact CG-CD2 4.16Å; P227-F257 HydrophobicContact CG-CE2 4.19Å; L231-F257 HydrophobicContact CB-CD2 4.35Å; L231-F257 HydrophobicContact CD1-CB 4.3Å; L231-F257 HydrophobicContact CD1-CG 4.48Å; L231-F257 HydrophobicContact CD2-CD2 3.6Å; L231-F257 HydrophobicContact CD2-CE2 3.7Å; L231-F257 HydrophobicContact CD2-CG 4.17Å; L231-F257 HydrophobicContact CD2-CZ 4.34Å; L231-F257 HydrophobicContact CG-CD2 4.36Å; G253-F257 WeakPolarHBondContact O-CB 3.48Å; G253-F257 PolarHBondContact O-N 2.9Å; I254-F257 PolarHBondContact O-N 2.91Å; F257-F306 HydrophobicContact CD1-CB 4.02Å; F257-F306 HydrophobicContact CD1-CG 4.48Å; F257-F306 HydrophobicContact CD2-CB 4.06Å; F257-F306 HydrophobicContact CE1-CB 3.61Å; F257-F306 AromaticContact CE1-CD1 3.73Å; F257-F306 HydrophobicContact CE1-CD1 3.73Å; F257-F306 HydrophobicContact CE1-CD2 4.29Å; F257-F306 HydrophobicContact CE1-CE1 4.49Å; F257-F306 AromaticContact CE1-CG 3.6Å; F257-F306 HydrophobicContact CE1-CG 3.6Å; F257-F306 HydrophobicContact CE2-CB 3.67Å; F257-F306 AromaticContact CE2-CD2 3.89Å; F257-F306 HydrophobicContact CE2-CD2 3.89Å; F257-F306 AromaticContact CE2-CG 3.86Å; F257-F306 HydrophobicContact CE2-CG 3.86Å; F257-F306 HydrophobicContact CG-CB 4.23Å; F257-F306 HydrophobicContact CZ-CB 3.43Å; F257-F306 VanDerWaalsContact CZ-CB 3.43Å; F257-F306 AromaticContact CZ-CD1 3.74Å; F257-F306 HydrophobicContact CZ-CD1 3.74Å; F257-F306 AromaticContact CZ-CD2 3.47Å; F257-F306 HydrophobicContact CZ-CD2 3.47Å; F257-F306 VanDerWaalsContact CZ-CD2 3.47Å; F257-F306 HydrophobicContact CZ-CE1 4.35Å; F257-F306 HydrophobicContact CZ-CE2 4.13Å; F257-F306 AromaticContact CZ-CG 3.23Å; F257-F306 HydrophobicContact CZ-CG 3.23Å; F257-F306 WeakPolarHBondContact O-CB 3.24Å; F257-F306 PolarHBondContact O-N 3.01Å; F257-V325 HydrophobicContact CE2-CG1 3.94Å
258L91.8Very high88.8Confident78 Ų7828.4 Ų28.441%0.40816%0.157SC..THydrogen-bonded Turntrans-95.7-33.8-177.9-58.4-177.4000112.8I254 S305 I307I254-L258 HydrophobicContact CG2-CD1 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 PolarHBondContact O-N 2.89Å; L258-S305 WeakPolarHBondContact O-CB 3.46Å; L258-S305 PolarHBondContact O-OG 3.48Å; L258-I307 HydrophobicContact CB-CD1 4.29Å; L258-I307 HydrophobicContact CD2-CD1 4.47Å; L258-I307 HydrophobicContact CD2-CG1 4.27Å
259G82.1Confident89.1Confident35 Ų3527.6 Ų27.636%0.36115%0.152SC..THydrogen-bonded Turntrans-82.5-22.9177.100000113.6I255 I261I255-G259 CarbonylContact O-C 3.43Å; I255-G259 VanDerWaalsContact O-C 3.3Å; I255-G259 WeakPolarHBondContact O-CA 3.39Å; I255-G259 PolarHBondContact O-N 2.85Å; G259-I261 VanDerWaalsContact C-N 3.29Å; G259-I261 PolarHBondContact O-N 3.26Å
260G85.9Confident88.9Confident7 Ų728.6 Ų28.67%0.07216%0.157CC..  trans70.924.2-179.100000113.4I255 H256 H262I255-G260 PolarHBondContact O-N 3.28Å; I255-G260 VanDerWaalsContact O-N 3.12Å; H256-G260 WeakPolarHBondContact O-CA 3.48Å; H256-G260 PolarHBondContact O-N 2.91Å; G260-H262 PolarHBondContact O-CD2 3.41Å; G260-H262 VanDerWaalsContact O-CD2 3.27Å; G260-H262 PolarHBondContact O-N 2.9Å
261I84.5Confident88.6Confident56 Ų5623.1 Ų23.129%0.28714%0.136SC..  trans-93.688.7175.4-54.1-178.9000108.1I255 G259 E263 I264 V367I255-I261 HydrophobicContact CG2-CB 4.05Å; I255-I261 HydrophobicContact CG2-CD1 3.82Å; I255-I261 HydrophobicContact CG2-CG1 4.17Å; I255-I261 PolarHBondContact O-N 3.49Å; G259-I261 VanDerWaalsContact C-N 3.29Å; G259-I261 PolarHBondContact O-N 3.26Å; I261-E263 VanDerWaalsContact C-N 3.25Å; I261-E263 PolarHBondContact O-N 3.31Å; I261-I264 WeakPolarHBondContact O-CG2 3.5Å; I261-I264 PolarHBondContact O-N 3.5Å; I261-V367 HydrophobicContact CD1-CG2 3.83Å
262H88.7Confident88.7Confident9 Ų923.1 Ų23.14%0.04213%0.126CC..G310 helixtrans-67.7-26.1-175.1-65.8-103.4000112.8K191 S225 H256 G260 I264 Y265 F266 G304K191-H262 VanDerWaalsContact CE-CB 3.42Å; K191-H262 PolarHBondContact NZ-ND1 3.15Å; S225-H262 PolarHBondContact O-CE1 3.04Å; H256-H262 AromaticContact CE1-CG 3.97Å; H256-H262 AromaticContact CE1-ND1 3.37Å; H256-H262 PolarHBondContact CE1-ND1 3.13Å; H256-H262 AromaticContact ND1-ND1 3.95Å; G260-H262 PolarHBondContact O-CD2 3.41Å; G260-H262 VanDerWaalsContact O-CD2 3.27Å; G260-H262 PolarHBondContact O-N 2.9Å; H262-I264 PolarHBondContact O-N 3.31Å; H262-Y265 HydrophobicContact CB-CE1 3.98Å; H262-Y265 WeakPolarHBondContact O-CD1 3.41Å; H262-Y265 WeakPolarHBondContact O-CE1 3.25Å; H262-Y265 PolarHBondContact O-N 3Å; H262-F266 HydrophobicContact CB-CE1 4.26Å; H262-F266 HydrophobicContact CB-CZ 4.43Å; H262-F266 VanDerWaalsContact O-CD1 3.28Å; H262-F266 WeakPolarHBondContact O-CD1 3.38Å; H262-F266 WeakPolarHBondContact O-CE1 3.27Å; H262-G304 PolarHBondContact CE1-O 3.47Å; H262-G304 WeakPolarHBondContact NE2-CA 3.15Å; H262-G304 PolarHBondContact NE2-O 2.96Å; H262-G304 VanDerWaalsContact NE2-O 3.09Å
263E82.7Confident88.7Confident28 Ų2825.5 Ų25.513%0.13114%0.141CC..G310 helixtrans-64.5-14.5-177.7-6199.213200113.6F194 I261 Y265 F266 M357 K361F194-E263 HydrophobicContact CD1-CG 4.4Å; F194-E263 HydrophobicContact CE1-CG 4.19Å; I261-E263 VanDerWaalsContact C-N 3.25Å; I261-E263 PolarHBondContact O-N 3.31Å; E263-Y265 VanDerWaalsContact C-N 3.33Å; E263-Y265 PolarHBondContact O-N 3.18Å; E263-F266 HydrophobicContact CB-CD2 4.03Å; E263-F266 HydrophobicContact CB-CE2 3.97Å; E263-F266 HydrophobicContact CB-CZ 4.42Å; E263-F266 HydrophobicContact CG-CD2 4.04Å; E263-F266 HydrophobicContact CG-CE2 3.51Å; E263-F266 HydrophobicContact CG-CZ 3.97Å; E263-F266 WeakPolarHBondContact O-CB 3.23Å; E263-F266 PolarHBondContact O-N 2.88Å; E263-M357 VanDerWaalsContact O-CE 3.3Å; E263-M357 WeakPolarHBondContact O-CE 3.14Å; E263-K361 IonicContact OE1-NZ 2.92Å; E263-K361 PolarHBondContact OE1-NZ 2.84Å
264I83.9Confident88.7Confident1 Ų129.5 Ų29.51%0.00516%0.162CC..G310 helixtrans-71.1-26.1-178.6-153.7167.7000113.2A252 I255 H256 I261 H262 P267 Y268 V367 L371A252-I264 HydrophobicContact CB-CD1 4.15Å; A252-I264 HydrophobicContact CB-CG1 4Å; A252-I264 HydrophobicContact CB-CG2 4.29Å; A252-I264 WeakPolarHBondContact O-CG2 3.5Å; I255-I264 HydrophobicContact CB-CD1 3.77Å; I255-I264 HydrophobicContact CD1-CD1 3.76Å; I255-I264 HydrophobicContact CG1-CD1 4.38Å; I255-I264 HydrophobicContact CG2-CD1 3.83Å; H256-I264 HydrophobicContact CB-CG2 3.61Å; I261-I264 WeakPolarHBondContact O-CG2 3.5Å; I261-I264 PolarHBondContact O-N 3.5Å; H262-I264 PolarHBondContact O-N 3.31Å; I264-P267 WeakPolarHBondContact O-CD 3.36Å; I264-Y268 WeakPolarHBondContact O-CE2 3.1Å; I264-V367 HydrophobicContact CD1-CB 4.47Å; I264-V367 HydrophobicContact CD1-CG1 3.44Å; I264-V367 VanDerWaalsContact CD1-CG1 3.44Å; I264-V367 HydrophobicContact CG1-CG1 4.39Å; I264-L371 HydrophobicContact CD1-CD2 4.28Å; I264-L371 HydrophobicContact CG1-CD1 3.79Å; I264-L371 HydrophobicContact CG1-CD2 4.2Å; I264-L371 HydrophobicContact CG1-CG 4.34Å
265Y91.1Very high88.9Confident0 Ų024.4 Ų24.40%014%0.135CC..THydrogen-bonded Turntrans-89.5-12.6176.881.4-96.3000112.9I192 H256 H262 E263 P267 Y268 V269 V279I192-Y265 HydrophobicContact CD1-CE2 4.35Å; I192-Y265 HydrophobicContact CG1-CE2 4.34Å; H256-Y265 AromaticContact CE1-CD1 3.56Å; H256-Y265 AromaticContact CE1-CE1 3.67Å; H256-Y265 AromaticContact ND1-CD1 3.48Å; H256-Y265 WeakPolarHBondContact ND1-CD1 3.34Å; H256-Y265 AromaticContact ND1-CE1 3.97Å; H262-Y265 HydrophobicContact CB-CE1 3.98Å; H262-Y265 WeakPolarHBondContact O-CD1 3.41Å; H262-Y265 WeakPolarHBondContact O-CE1 3.25Å; H262-Y265 PolarHBondContact O-N 3Å; E263-Y265 VanDerWaalsContact C-N 3.33Å; E263-Y265 PolarHBondContact O-N 3.18Å; Y265-P267 VanDerWaalsContact C-CD 3.43Å; Y265-Y268 VanDerWaalsContact O-CB 3.32Å; Y265-Y268 WeakPolarHBondContact O-CB 3.46Å; Y265-Y268 PolarHBondContact O-N 3.05Å; Y265-Y268 VanDerWaalsContact O-N 3.13Å; Y265-V269 HydrophobicContact CD2-CG2 3.9Å; Y265-V269 HydrophobicContact CE2-CG2 4.06Å; Y265-V269 PolarHBondContact O-N 3.49Å; Y265-V279 HydrophobicContact CE2-CG1 3.96Å
266F90.9Very high89.3Confident0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-57.6-42-176.9-64.60.8000113.5K191 I192 F194 H262 E263 Y268 V269 L270 M357K191-F266 HydrophobicContact CD-CE1 4.38Å; K191-F266 HydrophobicContact CD-CZ 4.4Å; K191-F266 HydrophobicContact CG-CE1 3.79Å; K191-F266 HydrophobicContact CG-CZ 3.47Å; K191-F266 VanDerWaalsContact CG-CZ 3.47Å; K191-F266 WeakPolarHBondContact O-CE2 3.35Å; K191-F266 VanDerWaalsContact O-CZ 3.26Å; K191-F266 WeakPolarHBondContact O-CZ 3.14Å; I192-F266 HydrophobicContact CB-CD1 4.39Å; I192-F266 HydrophobicContact CB-CG 4.34Å; I192-F266 HydrophobicContact CG1-CD1 3.77Å; I192-F266 HydrophobicContact CG1-CE1 4.06Å; I192-F266 HydrophobicContact CG1-CG 4.2Å; I192-F266 HydrophobicContact CG2-CB 4.19Å; I192-F266 HydrophobicContact CG2-CG 4.28Å; F194-F266 HydrophobicContact CD1-CD2 4.31Å; F194-F266 HydrophobicContact CD1-CE2 4.13Å; F194-F266 AromaticContact CE1-CD2 3.92Å; F194-F266 HydrophobicContact CE1-CD2 3.92Å; F194-F266 HydrophobicContact CE1-CE2 4.15Å; F194-F266 HydrophobicContact CZ-CD2 4.32Å; H262-F266 HydrophobicContact CB-CE1 4.26Å; H262-F266 HydrophobicContact CB-CZ 4.43Å; H262-F266 VanDerWaalsContact O-CD1 3.28Å; H262-F266 WeakPolarHBondContact O-CD1 3.38Å; H262-F266 WeakPolarHBondContact O-CE1 3.27Å; E263-F266 HydrophobicContact CB-CD2 4.03Å; E263-F266 HydrophobicContact CB-CE2 3.97Å; E263-F266 HydrophobicContact CB-CZ 4.42Å; E263-F266 HydrophobicContact CG-CD2 4.04Å; E263-F266 HydrophobicContact CG-CE2 3.51Å; E263-F266 HydrophobicContact CG-CZ 3.97Å; E263-F266 WeakPolarHBondContact O-CB 3.23Å; E263-F266 PolarHBondContact O-N 2.88Å; F266-Y268 PolarHBondContact O-N 3.49Å; F266-V269 PolarHBondContact O-N 2.79Å; F266-V269 VanDerWaalsContact O-N 3.1Å; F266-L270 WeakPolarHBondContact O-CG 3.47Å; F266-L270 PolarHBondContact O-N 2.74Å; F266-M357 HydrophobicContact CB-CG 4.04Å
267P85.9Confident89.5Confident0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-60.1-37.2178.8-25.238.7000111.6I264 Y265 V269 L270 M271 L350 A353 M357I264-P267 WeakPolarHBondContact O-CD 3.36Å; Y265-P267 VanDerWaalsContact C-CD 3.43Å; P267-V269 VanDerWaalsContact C-N 3.31Å; P267-V269 PolarHBondContact O-N 2.62Å; P267-L270 CarbonylContact O-C 3.39Å; P267-L270 PolarHBondContact O-N 3.35Å; P267-L270 VanDerWaalsContact O-N 3.13Å; P267-M271 VanDerWaalsContact O-CG 3.25Å; P267-M271 WeakPolarHBondContact O-CG 3.4Å; P267-M271 PolarHBondContact O-N 3.38Å; P267-L350 HydrophobicContact CB-CD1 3.76Å; P267-A353 HydrophobicContact CB-CB 4.08Å; P267-A353 WeakPolarHBondContact O-CB 3.26Å; P267-M357 HydrophobicContact CG-CE 3.21Å; P267-M357 HydrophobicContact CG-CG 4.24Å
268Y91.8Very high89.6Confident0 Ų025.9 Ų25.90%014%0.143CC..Hα-helixtrans-61.4-40.4177.6-62.1-93.7000111.6L234 Y237 A245 T248 S249 A252 I264 Y265 F266 L350 L371L234-Y268 HydrophobicContact CD2-CD1 4.39Å; L234-Y268 HydrophobicContact CD2-CD2 3.73Å; L234-Y268 HydrophobicContact CD2-CE1 4.38Å; L234-Y268 HydrophobicContact CD2-CE2 3.7Å; L234-Y268 HydrophobicContact CD2-CG 4.07Å; Y237-Y268 AromaticContact CD1-CD1 3.85Å; Y237-Y268 HydrophobicContact CD1-CD1 3.85Å; Y237-Y268 HydrophobicContact CD1-CE1 4.36Å; Y237-Y268 AromaticContact CD2-CD1 3.68Å; Y237-Y268 HydrophobicContact CD2-CD1 3.68Å; Y237-Y268 HydrophobicContact CD2-CG 4.24Å; Y237-Y268 HydrophobicContact CE1-CD1 4.06Å; Y237-Y268 AromaticContact CE2-CD1 3.92Å; Y237-Y268 HydrophobicContact CE2-CD1 3.92Å; Y237-Y268 HydrophobicContact CE2-CG 4.28Å; Y237-Y268 AromaticContact CG-CD1 3.64Å; Y237-Y268 HydrophobicContact CG-CD1 3.64Å; Y237-Y268 HydrophobicContact CG-CE1 4.26Å; Y237-Y268 PolarHBondContact OH-O 3.47Å; Y237-Y268 VanDerWaalsContact OH-O 3.09Å; A245-Y268 HydrophobicContact CB-CE1 4.32Å; A245-Y268 WeakPolarHBondContact O-CE1 3.29Å; T248-Y268 VanDerWaalsContact C-OH 3.23Å; T248-Y268 VanDerWaalsContact CB-OH 3.29Å; T248-Y268 WeakPolarHBondContact CB-OH 3.21Å; T248-Y268 PolarHBondContact O-OH 3.31Å; T248-Y268 PolarHBondContact OG1-OH 3.45Å; S249-Y268 WeakPolarHBondContact CA-OH 3.27Å; S249-Y268 PolarHBondContact N-OH 3.48Å; A252-Y268 HydrophobicContact CB-CE2 4.01Å; I264-Y268 WeakPolarHBondContact O-CE2 3.1Å; Y265-Y268 VanDerWaalsContact O-CB 3.32Å; Y265-Y268 WeakPolarHBondContact O-CB 3.46Å; Y265-Y268 PolarHBondContact O-N 3.05Å; Y265-Y268 VanDerWaalsContact O-N 3.13Å; F266-Y268 PolarHBondContact O-N 3.49Å; Y268-L350 HydrophobicContact CD1-CD1 4.42Å; Y268-L350 HydrophobicContact CD2-CD1 4.44Å; Y268-L350 HydrophobicContact CE1-CD1 4.23Å; Y268-L350 HydrophobicContact CE2-CD1 4.28Å; Y268-L371 HydrophobicContact CE2-CD1 4.34Å
269V92.3Very high89.8Confident0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-70.5-39.4174.2-177.90000111.3I192 I233 Y265 F266 P267 M271 R272 P273 L275 F276 V279I192-V269 HydrophobicContact CD1-CB 4.02Å; I192-V269 HydrophobicContact CD1-CG1 3.72Å; I192-V269 HydrophobicContact CD1-CG2 4.07Å; I233-V269 HydrophobicContact CG1-CG2 4.24Å; I233-V269 HydrophobicContact CG2-CG2 4.26Å; Y265-V269 HydrophobicContact CD2-CG2 3.9Å; Y265-V269 HydrophobicContact CE2-CG2 4.06Å; Y265-V269 PolarHBondContact O-N 3.49Å; F266-V269 PolarHBondContact O-N 2.79Å; F266-V269 VanDerWaalsContact O-N 3.1Å; P267-V269 VanDerWaalsContact C-N 3.31Å; P267-V269 PolarHBondContact O-N 2.62Å; V269-M271 PolarHBondContact O-N 3.13Å; V269-R272 CarbonylContact O-C 3.48Å; V269-R272 PolarHBondContact O-N 2.75Å; V269-P273 WeakPolarHBondContact O-CA 3.47Å; V269-L275 HydrophobicContact CB-CB 4.41Å; V269-L275 HydrophobicContact CG1-CB 4.01Å; V269-L275 HydrophobicContact CG2-CB 4.32Å; V269-F276 HydrophobicContact CG1-CD1 4.13Å; V269-F276 HydrophobicContact CG1-CD2 4.1Å; V269-F276 HydrophobicContact CG1-CE1 4.23Å; V269-F276 HydrophobicContact CG1-CE2 4.18Å; V269-F276 HydrophobicContact CG1-CG 4.05Å; V269-F276 HydrophobicContact CG1-CZ 4.24Å; V269-V279 HydrophobicContact CG2-CG1 4.15Å
270L87.5Confident90.5Very high20 Ų2021.9 Ų21.911%0.10511%0.113CC..Hα-helixtrans-68.4-30.3178.6-68175000113.3I192 F266 P267 R272 F276 Q348 A353 M357I192-L270 HydrophobicContact CG2-CD2 4.06Å; I192-L270 HydrophobicContact CG2-CG 4.14Å; F266-L270 WeakPolarHBondContact O-CG 3.47Å; F266-L270 PolarHBondContact O-N 2.74Å; P267-L270 CarbonylContact O-C 3.39Å; P267-L270 PolarHBondContact O-N 3.35Å; P267-L270 VanDerWaalsContact O-N 3.13Å; L270-R272 PolarHBondContact O-N 3.46Å; L270-F276 HydrophobicContact CD2-CZ 4.39Å; L270-Q348 PolarHBondContact O-NE2 2.92Å; L270-Q348 VanDerWaalsContact O-NE2 3.09Å; L270-A353 HydrophobicContact CB-CB 4.23Å; L270-M357 HydrophobicContact CD1-CB 3.92Å; L270-M357 HydrophobicContact CD1-CG 4.18Å
271M87.1Confident91.1Very high8 Ų824.7 Ų24.74%0.03913%0.126CC..Hα-helixtrans-61.2-35.5171.9-73.4173.675.300111.8A245 P267 V269 P346 K347 L350 A353A245-M271 HydrophobicContact CB-CE 4.04Å; A245-M271 HydrophobicContact CB-SD 4.34Å; P267-M271 VanDerWaalsContact O-CG 3.25Å; P267-M271 WeakPolarHBondContact O-CG 3.4Å; P267-M271 PolarHBondContact O-N 3.38Å; V269-M271 PolarHBondContact O-N 3.13Å; M271-P346 HydrophobicContact CB-CB 4.22Å; M271-P346 HydrophobicContact CE-CB 4.18Å; M271-P346 HydrophobicContact CE-CG 4.19Å; M271-K347 PolarHBondContact O-N 3.39Å; M271-L350 HydrophobicContact CE-CB 4.23Å; M271-L350 HydrophobicContact SD-CB 3.78Å; M271-L350 HydrophobicContact SD-CD1 3.54Å; M271-L350 VanDerWaalsContact SD-CD1 3.54Å; M271-L350 HydrophobicContact SD-CG 4.27Å; M271-A353 HydrophobicContact CG-CB 3.54Å
272R90Very high91.7Very high32 Ų3222 Ų2212%0.12111%0.113CC..SBendtrans-135.483.9-179.3-67.8-172.3-177.6-150.411.2110.2V269 L270 L274 L275 M340 P346V269-R272 CarbonylContact O-C 3.48Å; V269-R272 PolarHBondContact O-N 2.75Å; L270-R272 PolarHBondContact O-N 3.46Å; R272-L274 PolarHBondContact O-N 3.14Å; R272-L275 HydrophobicContact CB-CD1 3.91Å; R272-L275 HydrophobicContact CB-CG 4.01Å; R272-L275 VanDerWaalsContact O-CB 3.26Å; R272-L275 WeakPolarHBondContact O-CB 3.49Å; R272-L275 WeakPolarHBondContact O-CG 3.16Å; R272-L275 PolarHBondContact O-N 3.25Å; R272-M340 PolarHBondContact NH1-O 2.9Å; R272-P346 HydrophobicContact CG-CB 3.79Å
273P89.4Confident92.1Very high50 Ų5021.8 Ų21.833%0.32511%0.112SC..THydrogen-bonded Turntrans-55.5-20.1-174.5-29.636.3000115.7V269 L275 F276 K347V269-P273 WeakPolarHBondContact O-CA 3.47Å; P273-L275 PolarHBondContact O-N 3.28Å; P273-L275 VanDerWaalsContact O-N 3.16Å; P273-F276 HydrophobicContact CB-CD2 4.24Å; P273-F276 HydrophobicContact CB-CE2 4.4Å; P273-F276 WeakPolarHBondContact O-CB 3.46Å; P273-F276 WeakPolarHBondContact O-CD2 3.49Å; P273-F276 PolarHBondContact O-N 3.09Å; P273-K347 HydrophobicContact CG-CD 4.35Å
274L93.4Very high92.7Very high89 Ų8922.4 Ų22.447%0.46612%0.116SC..THydrogen-bonded Turntrans-59.3-25171.5-73.9167.6000112.6R272 F276 I277 I339 T343R272-L274 PolarHBondContact O-N 3.14Å; L274-F276 PolarHBondContact O-N 3.37Å; L274-F276 VanDerWaalsContact O-N 3.15Å; L274-I277 HydrophobicContact CD2-CD1 4.27Å; L274-I277 WeakPolarHBondContact O-CB 3.42Å; L274-I277 WeakPolarHBondContact O-CG1 3.46Å; L274-I277 PolarHBondContact O-N 3.21Å; L274-I339 HydrophobicContact CB-CD1 4.43Å; L274-I339 HydrophobicContact CB-CG2 3.71Å; L274-I339 WeakPolarHBondContact O-CD1 3.49Å; L274-T343 HydrophobicContact CD1-CG2 3.45Å; L274-T343 VanDerWaalsContact CD1-CG2 3.45Å
275L95.1Very high93.3Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-65-11.2175-63.8179.4000113.8I233 Y237 V269 R272 P273 I277 A278 V279 A336 I339I233-L275 HydrophobicContact CD1-CB 4.25Å; I233-L275 HydrophobicContact CD1-CD2 4.29Å; I233-L275 HydrophobicContact CG2-CD1 4.26Å; Y237-L275 HydrophobicContact CE2-CD1 3.64Å; V269-L275 HydrophobicContact CB-CB 4.41Å; V269-L275 HydrophobicContact CG1-CB 4.01Å; V269-L275 HydrophobicContact CG2-CB 4.32Å; R272-L275 HydrophobicContact CB-CD1 3.91Å; R272-L275 HydrophobicContact CB-CG 4.01Å; R272-L275 VanDerWaalsContact O-CB 3.26Å; R272-L275 WeakPolarHBondContact O-CB 3.49Å; R272-L275 WeakPolarHBondContact O-CG 3.16Å; R272-L275 PolarHBondContact O-N 3.25Å; P273-L275 PolarHBondContact O-N 3.28Å; P273-L275 VanDerWaalsContact O-N 3.16Å; L275-I277 PolarHBondContact O-N 2.93Å; L275-A278 WeakPolarHBondContact O-CB 3.2Å; L275-A278 PolarHBondContact O-N 3.12Å; L275-A278 VanDerWaalsContact O-N 3.11Å; L275-V279 PolarHBondContact O-N 2.91Å; L275-A336 HydrophobicContact CD2-CB 3.69Å; L275-I339 HydrophobicContact CD2-CB 4.17Å; L275-I339 HydrophobicContact CD2-CD1 4.27Å; L275-I339 HydrophobicContact CD2-CG2 3.94Å
276F94.3Very high93.6Very high46 Ų4624.2 Ų24.220%0.20213%0.127CC..Hα-helixtrans-55-37.1165.4-82.7-69.8000111.4P189 I192 V269 L270 P273 L274 A278 V279 I280P189-F276 HydrophobicContact CB-CD1 4.04Å; P189-F276 HydrophobicContact CB-CE1 4.07Å; P189-F276 HydrophobicContact CG-CD1 4.16Å; I192-F276 HydrophobicContact CB-CE1 3.8Å; I192-F276 HydrophobicContact CB-CZ 4.23Å; I192-F276 HydrophobicContact CD1-CD1 3.77Å; I192-F276 HydrophobicContact CD1-CE1 3.46Å; I192-F276 VanDerWaalsContact CD1-CE1 3.46Å; I192-F276 HydrophobicContact CD1-CZ 4.32Å; I192-F276 HydrophobicContact CG1-CE1 4.23Å; I192-F276 HydrophobicContact CG2-CE1 3.84Å; I192-F276 HydrophobicContact CG2-CZ 3.76Å; V269-F276 HydrophobicContact CG1-CD1 4.13Å; V269-F276 HydrophobicContact CG1-CD2 4.1Å; V269-F276 HydrophobicContact CG1-CE1 4.23Å; V269-F276 HydrophobicContact CG1-CE2 4.18Å; V269-F276 HydrophobicContact CG1-CG 4.05Å; V269-F276 HydrophobicContact CG1-CZ 4.24Å; L270-F276 HydrophobicContact CD2-CZ 4.39Å; P273-F276 HydrophobicContact CB-CD2 4.24Å; P273-F276 HydrophobicContact CB-CE2 4.4Å; P273-F276 WeakPolarHBondContact O-CB 3.46Å; P273-F276 WeakPolarHBondContact O-CD2 3.49Å; P273-F276 PolarHBondContact O-N 3.09Å; L274-F276 PolarHBondContact O-N 3.37Å; L274-F276 VanDerWaalsContact O-N 3.15Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 3.27Å; F276-V279 WeakPolarHBondContact O-CG2 3.48Å; F276-V279 PolarHBondContact O-N 3.06Å; F276-I280 WeakPolarHBondContact O-CB 3.15Å; F276-I280 WeakPolarHBondContact O-CD1 3.47Å; F276-I280 WeakPolarHBondContact O-CG1 3.23Å; F276-I280 PolarHBondContact O-N 3.37Å
277I96.1Very high93.8Very high85 Ų8524.3 Ų24.344%0.43613%0.127SC..Hα-helixtrans-63.2-41.7177.8-59.8169.8000110.6L274 L275 I280 L281 V335 I339L274-I277 HydrophobicContact CD2-CD1 4.27Å; L274-I277 WeakPolarHBondContact O-CB 3.42Å; L274-I277 WeakPolarHBondContact O-CG1 3.46Å; L274-I277 PolarHBondContact O-N 3.21Å; L275-I277 PolarHBondContact O-N 2.93Å; I277-I280 PolarHBondContact O-N 3.47Å; I277-L281 HydrophobicContact CG2-CD1 3.83Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 WeakPolarHBondContact O-CB 3.08Å; I277-L281 WeakPolarHBondContact O-CG 3.5Å; I277-L281 PolarHBondContact O-N 3.47Å; I277-V335 HydrophobicContact CG2-CG1 4.23Å; I277-I339 HydrophobicContact CB-CD1 4.44Å
278A97.2Very high94.2Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-64.5-45.1-179.400000112.2I233 L275 F276 G282 S332 V335 A336 I339I233-A278 HydrophobicContact CD1-CB 3.55Å; L275-A278 WeakPolarHBondContact O-CB 3.2Å; L275-A278 PolarHBondContact O-N 3.12Å; L275-A278 VanDerWaalsContact O-N 3.11Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 3.27Å; A278-G282 PolarHBondContact O-N 3.35Å; A278-S332 WeakPolarHBondContact O-CA 3.38Å; A278-V335 HydrophobicContact CB-CB 3.96Å; A278-V335 HydrophobicContact CB-CG1 3.81Å; A278-A336 HydrophobicContact CB-CB 4Å; A278-I339 HydrophobicContact CB-CD1 4.48Å
279V96.5Very high94.4Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-68.8-38.2177-63.40000112.3E188 I192 P229 I233 Y265 V269 L275 F276 G282 G283E188-V279 HydrophobicContact CB-CB 4.39Å; E188-V279 HydrophobicContact CB-CG2 4.04Å; I192-V279 HydrophobicContact CD1-CG2 3.88Å; P229-V279 HydrophobicContact CB-CB 4.42Å; I233-V279 HydrophobicContact CD1-CG1 3.92Å; I233-V279 HydrophobicContact CG1-CG1 3.54Å; Y265-V279 HydrophobicContact CE2-CG1 3.96Å; V269-V279 HydrophobicContact CG2-CG1 4.15Å; L275-V279 PolarHBondContact O-N 2.91Å; F276-V279 WeakPolarHBondContact O-CG2 3.48Å; F276-V279 PolarHBondContact O-N 3.06Å; V279-G282 PolarHBondContact O-N 3.49Å; V279-G283 PolarHBondContact O-N 3.27Å
280I96.5Very high94.5Very high29 Ų2927 Ų2715%0.14915%0.148CC..Hα-helixtrans-60.4-53.8175.5-70.9164.9000109.7I185 E188 P189 F276 I277 G282 G283 M284I185-I280 HydrophobicContact CG1-CG2 3.89Å; E188-I280 HydrophobicContact CB-CG1 4.09Å; P189-I280 HydrophobicContact CG-CD1 3.82Å; P189-I280 HydrophobicContact CG-CG1 4.07Å; F276-I280 WeakPolarHBondContact O-CB 3.15Å; F276-I280 WeakPolarHBondContact O-CD1 3.47Å; F276-I280 WeakPolarHBondContact O-CG1 3.23Å; F276-I280 PolarHBondContact O-N 3.37Å; I277-I280 PolarHBondContact O-N 3.47Å; I280-G282 PolarHBondContact O-N 3.4Å; I280-G283 PolarHBondContact O-N 2.88Å; I280-M284 HydrophobicContact CG2-CG 4.2Å; I280-M284 HydrophobicContact CG2-SD 3.74Å; I280-M284 WeakPolarHBondContact O-CB 3.21Å; I280-M284 WeakPolarHBondContact O-CG 3.37Å; I280-M284 PolarHBondContact O-N 3.16Å
281L97.8Very high94.7Very high66 Ų6627.4 Ų27.435%0.34615%0.149SC..Hα-helixtrans-64.5-40.1-178.3-68.4177.7000111.9I277 M284 T285 V331 V335I277-L281 HydrophobicContact CG2-CD1 3.83Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 WeakPolarHBondContact O-CB 3.08Å; I277-L281 WeakPolarHBondContact O-CG 3.5Å; I277-L281 PolarHBondContact O-N 3.47Å; L281-M284 HydrophobicContact CD2-SD 4.09Å; L281-M284 PolarHBondContact O-N 3.34Å; L281-T285 WeakPolarHBondContact O-CB 3.42Å; L281-T285 PolarHBondContact O-N 2.83Å; L281-T285 PolarHBondContact O-OG1 3.3Å; L281-V331 HydrophobicContact CB-CG1 3.9Å; L281-V335 HydrophobicContact CD1-CG1 4.34Å; L281-V335 HydrophobicContact CD1-CG2 3.96Å
282G97.6Very high95Very high0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-59.3-47.5172.800000112.3A278 V279 I280 T285 G286 A328A278-G282 PolarHBondContact O-N 3.35Å; V279-G282 PolarHBondContact O-N 3.49Å; I280-G282 PolarHBondContact O-N 3.4Å; G282-T285 PolarHBondContact O-N 3.36Å; G282-G286 PolarHBondContact O-N 2.79Å; G282-A328 WeakPolarHBondContact CA-O 3.41Å; G282-A328 VanDerWaalsContact O-CA 3.3Å; G282-A328 WeakPolarHBondContact O-CA 3.41Å; G282-A328 WeakPolarHBondContact O-CB 3.48Å
283G96.4Very high95.1Very high3 Ų331.8 Ų31.83%0.03119%0.189CC..Hα-helixtrans-61.5-46.5177.200000111.9S184 V279 I280 T285 G286 V287S184-G283 PolarHBondContact OG-O 3.22Å; V279-G283 PolarHBondContact O-N 3.27Å; I280-G283 PolarHBondContact O-N 2.88Å; G283-T285 VanDerWaalsContact C-N 3.32Å; G283-T285 PolarHBondContact O-N 3.28Å; G283-G286 PolarHBondContact O-N 3.25Å; G283-G286 VanDerWaalsContact O-N 3.17Å; G283-V287 WeakPolarHBondContact O-CG2 3.33Å; G283-V287 PolarHBondContact O-N 3.18Å
284M96.4Very high95.1Very high42 Ų4231.6 Ų31.621%0.20720%0.196CC..Hα-helixtrans-55.2-46.9175.2-72.5178.765.300111P181 L182 S184 I185 I280 L281 V287 A288P181-M284 HydrophobicContact CB-CB 4.33Å; P181-M284 VanDerWaalsContact O-CG 3.26Å; P181-M284 WeakPolarHBondContact O-CG 3.28Å; L182-M284 HydrophobicContact CD2-CE 3.8Å; S184-M284 PolarHBondContact OG-N 2.75Å; I185-M284 HydrophobicContact CG1-SD 4.28Å; I280-M284 HydrophobicContact CG2-CG 4.2Å; I280-M284 HydrophobicContact CG2-SD 3.74Å; I280-M284 WeakPolarHBondContact O-CB 3.21Å; I280-M284 WeakPolarHBondContact O-CG 3.37Å; I280-M284 PolarHBondContact O-N 3.16Å; L281-M284 HydrophobicContact CD2-SD 4.09Å; L281-M284 PolarHBondContact O-N 3.34Å; M284-V287 PolarHBondContact O-N 3.42Å; M284-A288 WeakPolarHBondContact O-CB 3.46Å; M284-A288 PolarHBondContact O-N 3.02Å
285T97.1Very high95.1Very high38 Ų3827.5 Ų27.523%0.23318%0.175CC..Hα-helixtrans-63.1-42.6178.4-60.90000112L281 G282 G283 A288 T289 L327 V331L281-T285 WeakPolarHBondContact O-CB 3.42Å; L281-T285 PolarHBondContact O-N 2.83Å; L281-T285 PolarHBondContact O-OG1 3.3Å; G282-T285 PolarHBondContact O-N 3.36Å; G283-T285 VanDerWaalsContact C-N 3.32Å; G283-T285 PolarHBondContact O-N 3.28Å; T285-A288 PolarHBondContact O-N 2.97Å; T285-T289 WeakPolarHBondContact O-CB 3.32Å; T285-T289 PolarHBondContact O-N 3.27Å; T285-T289 PolarHBondContact O-OG1 3.13Å; T285-L327 HydrophobicContact CG2-CB 3.75Å; T285-V331 HydrophobicContact CG2-CG2 3.89Å
286G96.4Very high94.9Very high0 Ų027.5 Ų27.50%018%0.175CC..Hα-helixtrans-60.3-50.2176.600000112.3G282 G283 T289 Y290G282-G286 PolarHBondContact O-N 2.79Å; G283-G286 PolarHBondContact O-N 3.25Å; G283-G286 VanDerWaalsContact O-N 3.17Å; G286-T289 WeakPolarHBondContact O-CB 3.43Å; G286-T289 PolarHBondContact O-N 3.46Å; G286-Y290 WeakPolarHBondContact O-CD2 3.05Å; G286-Y290 PolarHBondContact O-N 3.36Å
287V94.5Very high94.7Very high3 Ų325.3 Ų25.32%0.01817%0.165CC..Hα-helixtrans-63.4-43.3178.4176.40000111.4L180 P181 I223 G283 M284 T289 Y290 Q291L180-V287 HydrophobicContact CB-CG1 4.21Å; L180-V287 HydrophobicContact CD2-CG1 3.84Å; L180-V287 HydrophobicContact CG-CG1 3.8Å; P181-V287 HydrophobicContact CG-CG1 4.3Å; I223-V287 HydrophobicContact CB-CG2 4.44Å; I223-V287 HydrophobicContact CG1-CG2 4.09Å; I223-V287 HydrophobicContact CG2-CG2 4.3Å; G283-V287 WeakPolarHBondContact O-CG2 3.33Å; G283-V287 PolarHBondContact O-N 3.18Å; M284-V287 PolarHBondContact O-N 3.42Å; V287-T289 VanDerWaalsContact C-N 3.3Å; V287-T289 PolarHBondContact O-N 3.37Å; V287-Y290 PolarHBondContact O-N 2.99Å; V287-Q291 WeakPolarHBondContact O-CB 3.17Å; V287-Q291 PolarHBondContact O-N 2.94Å
288A95.1Very high94.1Very high40 Ų4022.4 Ų22.433%0.33115%0.149SC..Hα-helixtrans-61.4-39.8176.800000111.9P181 M284 T285 Q291 A292P181-A288 HydrophobicContact CB-CB 4.18Å; P181-A288 HydrophobicContact CG-CB 3.68Å; M284-A288 WeakPolarHBondContact O-CB 3.46Å; M284-A288 PolarHBondContact O-N 3.02Å; T285-A288 PolarHBondContact O-N 2.97Å; A288-Q291 PolarHBondContact O-N 3.49Å; A288-A292 VanDerWaalsContact O-CB 3.31Å; A288-A292 WeakPolarHBondContact O-CB 3.36Å; A288-A292 PolarHBondContact O-N 3.39Å
289T95.7Very high93.4Very high15 Ų1522.6 Ų22.69%0.09215%0.151CC..Hα-helixtrans-62.4-50176.7-56.30000110.6T285 G286 V287 Q291 A292 T293 L323 L327T285-T289 WeakPolarHBondContact O-CB 3.32Å; T285-T289 PolarHBondContact O-N 3.27Å; T285-T289 PolarHBondContact O-OG1 3.13Å; G286-T289 WeakPolarHBondContact O-CB 3.43Å; G286-T289 PolarHBondContact O-N 3.46Å; V287-T289 VanDerWaalsContact C-N 3.3Å; V287-T289 PolarHBondContact O-N 3.37Å; T289-Q291 VanDerWaalsContact C-N 3.33Å; T289-Q291 PolarHBondContact O-N 3.25Å; T289-A292 PolarHBondContact O-N 2.94Å; T289-T293 WeakPolarHBondContact O-CG2 3.47Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.84Å; T289-L323 HydrophobicContact CG2-CB 4.25Å; T289-L323 HydrophobicContact CG2-CD2 3.82Å; T289-L323 HydrophobicContact CG2-CG 3.83Å; T289-L327 HydrophobicContact CG2-CD1 4.14Å
290Y94.6Very high92.7Very high0 Ų023.6 Ų23.60%016%0.157CC..Hα-helixtrans-65.7-36.2179.3-64.1-35.1000113T222 G286 V287 A292 T293 G294 F295 H320 M321 G324 V325T222-Y290 HydrophobicContact CG2-CD2 4.09Å; T222-Y290 HydrophobicContact CG2-CE2 4.21Å; T222-Y290 WeakPolarHBondContact OG1-CD2 3.49Å; G286-Y290 WeakPolarHBondContact O-CD2 3.05Å; G286-Y290 PolarHBondContact O-N 3.36Å; V287-Y290 PolarHBondContact O-N 2.99Å; Y290-A292 VanDerWaalsContact C-N 3.34Å; Y290-T293 PolarHBondContact O-N 2.74Å; Y290-T293 PolarHBondContact O-OG1 3.36Å; Y290-G294 CarbonylContact O-C 3.57Å; Y290-G294 WeakPolarHBondContact O-CA 3.36Å; Y290-G294 PolarHBondContact O-N 3.43Å; Y290-F295 HydrophobicContact CD1-CB 3.73Å; Y290-F295 AromaticContact CD1-CD1 3.29Å; Y290-F295 HydrophobicContact CD1-CD1 3.29Å; Y290-F295 HydrophobicContact CD1-CE1 4.15Å; Y290-F295 AromaticContact CD1-CG 3.72Å; Y290-F295 HydrophobicContact CD1-CG 3.72Å; Y290-F295 HydrophobicContact CD2-CD1 4.2Å; Y290-F295 AromaticContact CE1-CD1 3.54Å; Y290-F295 HydrophobicContact CE1-CD1 3.54Å; Y290-F295 AromaticContact CE1-CE1 3.94Å; Y290-F295 HydrophobicContact CE1-CE1 3.94Å; Y290-F295 HydrophobicContact CE1-CG 4.14Å; Y290-F295 HydrophobicContact CE2-CD1 4.4Å; Y290-F295 HydrophobicContact CG-CB 4.2Å; Y290-F295 AromaticContact CG-CD1 3.65Å; Y290-F295 HydrophobicContact CG-CD1 3.65Å; Y290-F295 HydrophobicContact CG-CG 4.32Å; Y290-F295 PolarHBondContact O-N 2.79Å; Y290-H320 VanDerWaalsContact CE1-O 3.31Å; Y290-H320 WeakPolarHBondContact CE1-O 3.4Å; Y290-M321 PolarHBondContact OH-O 3.48Å; Y290-G324 VanDerWaalsContact CE1-CA 3.49Å; Y290-V325 WeakPolarHBondContact OH-CG2 3.25Å; Y290-V325 PolarHBondContact OH-N 2.82Å
291Q92.1Very high92.1Very high30 Ų3022.3 Ų22.314%0.1415%0.151CC..Hα-helixtrans-65.5-40.1175-171.9174.717.900111.4V175 I219 V287 A288 T289 G294V175-Q291 PolarHBondContact O-NE2 2.8Å; I219-Q291 HydrophobicContact CD1-CB 3.84Å; V287-Q291 WeakPolarHBondContact O-CB 3.17Å; V287-Q291 PolarHBondContact O-N 2.94Å; A288-Q291 PolarHBondContact O-N 3.49Å; T289-Q291 VanDerWaalsContact C-N 3.33Å; T289-Q291 PolarHBondContact O-N 3.25Å; Q291-G294 PolarHBondContact O-N 3.46Å
292A92.3Very high91Very high89 Ų8920.7 Ų20.774%0.73615%0.145SC*.Hα-helixtrans-68.7-34.9178.300000112.9A288 T289 Y290A288-A292 VanDerWaalsContact O-CB 3.31Å; A288-A292 WeakPolarHBondContact O-CB 3.36Å; A288-A292 PolarHBondContact O-N 3.39Å; T289-A292 PolarHBondContact O-N 2.94Å; Y290-A292 VanDerWaalsContact C-N 3.34Å
293T92.4Very high90Very high43 Ų4323.5 Ų23.526%0.26416%0.163SC..Hα-helixtrans-89.1-7.7178.564.60000113.4T289 Y290 F295 H320T289-T293 WeakPolarHBondContact O-CG2 3.47Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.84Å; Y290-T293 PolarHBondContact O-N 2.74Å; Y290-T293 PolarHBondContact O-OG1 3.36Å; T293-F295 VanDerWaalsContact C-N 3.28Å; T293-F295 PolarHBondContact O-N 3.01Å; T293-F295 WeakPolarHBondContact OG1-CB 3.41Å; T293-H320 HydrophobicContact CG2-CB 4.31Å; T293-H320 VanDerWaalsContact CG2-CD2 3.49Å; T293-H320 WeakPolarHBondContact CG2-CD2 3.25Å
294G89.5Confident89.3Confident46 Ų4623.6 Ų23.647%0.47416%0.164SC..THydrogen-bonded Turntrans70.521.2-173.300000114.1Q217 Y290 Q291Q217-G294 PolarHBondContact NE2-O 3.22Å; Y290-G294 CarbonylContact O-C 3.57Å; Y290-G294 WeakPolarHBondContact O-CA 3.36Å; Y290-G294 PolarHBondContact O-N 3.43Å; Q291-G294 PolarHBondContact O-N 3.46Å
295F92.9Very high89.1Confident2 Ų221.8 Ų21.81%0.00916%0.156CC..  trans-75.3140.6-176.8179.5-96.2000112.2T222 Y290 T293 F297 E317 H320 M321T222-F295 HydrophobicContact CG2-CD1 4.02Å; T222-F295 HydrophobicContact CG2-CE1 3.81Å; Y290-F295 HydrophobicContact CD1-CB 3.73Å; Y290-F295 AromaticContact CD1-CD1 3.29Å; Y290-F295 HydrophobicContact CD1-CD1 3.29Å; Y290-F295 HydrophobicContact CD1-CE1 4.15Å; Y290-F295 AromaticContact CD1-CG 3.72Å; Y290-F295 HydrophobicContact CD1-CG 3.72Å; Y290-F295 HydrophobicContact CD2-CD1 4.2Å; Y290-F295 AromaticContact CE1-CD1 3.54Å; Y290-F295 HydrophobicContact CE1-CD1 3.54Å; Y290-F295 AromaticContact CE1-CE1 3.94Å; Y290-F295 HydrophobicContact CE1-CE1 3.94Å; Y290-F295 HydrophobicContact CE1-CG 4.14Å; Y290-F295 HydrophobicContact CE2-CD1 4.4Å; Y290-F295 HydrophobicContact CG-CB 4.2Å; Y290-F295 AromaticContact CG-CD1 3.65Å; Y290-F295 HydrophobicContact CG-CD1 3.65Å; Y290-F295 HydrophobicContact CG-CG 4.32Å; Y290-F295 PolarHBondContact O-N 2.79Å; T293-F295 VanDerWaalsContact C-N 3.28Å; T293-F295 PolarHBondContact O-N 3.01Å; T293-F295 WeakPolarHBondContact OG1-CB 3.41Å; F295-F297 HydrophobicContact CE1-CD1 4.23Å; F295-F297 AromaticContact CE1-CE1 3.88Å; F295-F297 HydrophobicContact CE1-CE1 3.88Å; F295-F297 HydrophobicContact CE1-CE2 4.39Å; F295-F297 AromaticContact CE1-CZ 3.94Å; F295-F297 HydrophobicContact CE1-CZ 3.94Å; F295-F297 AromaticContact CZ-CD1 3.87Å; F295-F297 HydrophobicContact CZ-CD1 3.87Å; F295-F297 AromaticContact CZ-CE1 3.44Å; F295-F297 HydrophobicContact CZ-CE1 3.44Å; F295-F297 VanDerWaalsContact CZ-CE1 3.44Å; F295-F297 AromaticContact CZ-CZ 3.91Å; F295-F297 HydrophobicContact CZ-CZ 3.91Å; F295-E317 HydrophobicContact CD2-CB 3.83Å; F295-E317 HydrophobicContact CE2-CB 3.82Å; F295-H320 HydrophobicContact CB-CB 4.14Å; F295-H320 HydrophobicContact CD2-CB 4Å; F295-H320 HydrophobicContact CG-CB 4.33Å; F295-M321 HydrophobicContact CD2-CB 4.41Å; F295-M321 HydrophobicContact CE1-CB 4.2Å; F295-M321 HydrophobicContact CE1-CG 4.28Å; F295-M321 HydrophobicContact CE2-CB 3.59Å; F295-M321 HydrophobicContact CE2-CG 4.32Å; F295-M321 HydrophobicContact CZ-CB 3.46Å; F295-M321 VanDerWaalsContact CZ-CB 3.46Å; F295-M321 HydrophobicContact CZ-CG 3.69Å
296G91.5Very high88.9Confident0 Ų021.8 Ų21.80%015%0.153CC..  trans-157.2168.5169.900000111.8Q217 S218 P314Q217-G296 PolarHBondContact OE1-O 2.86Å; S218-G296 WeakPolarHBondContact O-CA 3.36Å; G296-P314 WeakPolarHBondContact O-CD 3.47Å; G296-P314 WeakPolarHBondContact O-CG 3.49Å
297F89.5Confident88.6Confident0 Ų026 Ų260%017%0.174CC..BIsolated β-bridgetrans-99157.2172.2-67.5-52.6000111.4Q217 S218 Y221 T222 F295 S299 A301 Y309 N312 A313 M321Q217-F297 CarbonylContact C-O 3.39Å; Q217-F297 VanDerWaalsContact CA-O 3.28Å; Q217-F297 WeakPolarHBondContact CA-O 3.47Å; S218-F297 PolarHBondContact N-O 3.49Å; S218-F297 PolarHBondContact O-N 3.48Å; Y221-F297 HydrophobicContact CD2-CB 4.12Å; Y221-F297 VanDerWaalsContact CD2-O 3.29Å; Y221-F297 WeakPolarHBondContact CD2-O 3.09Å; T222-F297 HydrophobicContact CG2-CD2 3.64Å; T222-F297 HydrophobicContact CG2-CE2 3.77Å; T222-F297 HydrophobicContact CG2-CG 4.36Å; F295-F297 HydrophobicContact CE1-CD1 4.23Å; F295-F297 AromaticContact CE1-CE1 3.88Å; F295-F297 HydrophobicContact CE1-CE1 3.88Å; F295-F297 HydrophobicContact CE1-CE2 4.39Å; F295-F297 AromaticContact CE1-CZ 3.94Å; F295-F297 HydrophobicContact CE1-CZ 3.94Å; F295-F297 AromaticContact CZ-CD1 3.87Å; F295-F297 HydrophobicContact CZ-CD1 3.87Å; F295-F297 AromaticContact CZ-CE1 3.44Å; F295-F297 HydrophobicContact CZ-CE1 3.44Å; F295-F297 VanDerWaalsContact CZ-CE1 3.44Å; F295-F297 AromaticContact CZ-CZ 3.91Å; F295-F297 HydrophobicContact CZ-CZ 3.91Å; F297-S299 VanDerWaalsContact CB-O 3.25Å; F297-S299 WeakPolarHBondContact CB-O 3.29Å; F297-A301 HydrophobicContact CD2-CB 4.19Å; F297-A301 HydrophobicContact CE2-CB 4Å; F297-Y309 HydrophobicContact CE2-CD1 4.01Å; F297-Y309 HydrophobicContact CE2-CD2 4.08Å; F297-Y309 AromaticContact CE2-CE1 3.79Å; F297-Y309 HydrophobicContact CE2-CE1 3.79Å; F297-Y309 AromaticContact CE2-CE2 3.87Å; F297-Y309 HydrophobicContact CE2-CE2 3.87Å; F297-Y309 HydrophobicContact CE2-CG 4.11Å; F297-Y309 AromaticContact CE2-CZ 3.68Å; F297-Y309 AromaticContact CZ-CD1 3.57Å; F297-Y309 HydrophobicContact CZ-CD1 3.57Å; F297-Y309 HydrophobicContact CZ-CD2 4.04Å; F297-Y309 AromaticContact CZ-CE1 3.82Å; F297-Y309 HydrophobicContact CZ-CE1 3.82Å; F297-Y309 HydrophobicContact CZ-CE2 4.26Å; F297-Y309 AromaticContact CZ-CG 3.65Å; F297-Y309 HydrophobicContact CZ-CG 3.65Å; F297-N312 HydrophobicContact CD1-CB 3.76Å; F297-N312 WeakPolarHBondContact CD1-O 3.38Å; F297-N312 HydrophobicContact CE1-CB 3.98Å; F297-N312 HydrophobicContact CG-CB 4.25Å; F297-A313 HydrophobicContact CE1-CB 4.33Å; F297-M321 HydrophobicContact CE1-CG 4.45Å; F297-M321 HydrophobicContact CZ-CG 4.35Å
298K83.7Confident88.3Confident24 Ų2427 Ų2710%0.10418%0.18CC..SBendtrans-79.3-26.6171.2-53-167.3-176164.80112.4W35 N45 G216W35-K298 WeakPolarHBondContact CH2-O 3.43Å; N45-K298 VanDerWaalsContact CB-NZ 3.28Å; N45-K298 PolarHBondContact O-NZ 3.47Å; G216-K298 WeakPolarHBondContact O-CG 3.37Å
299S82.1Confident88.2Confident4 Ų425 Ų253%0.02816%0.164CC..SBendtrans-138.8160.4-174.859.80000110.8F297 A301 N312F297-S299 VanDerWaalsContact CB-O 3.25Å; F297-S299 WeakPolarHBondContact CB-O 3.29Å; S299-A301 PolarHBondContact O-N 3.19Å; S299-N312 PolarHBondContact OG-OD1 3.25Å
300P82.8Confident87.9Confident21 Ų2125.6 Ų25.614%0.13617%0.168CC..  trans-58.2135.1171.9-21.230.7000112.1T205 Y221 S302 N312T205-P300 HydrophobicContact CG2-CG 3.73Å; Y221-P300 HydrophobicContact CD1-CB 4.16Å; Y221-P300 HydrophobicContact CD1-CG 3.92Å; Y221-P300 HydrophobicContact CE1-CB 4.3Å; Y221-P300 HydrophobicContact CE1-CG 3.55Å; P300-S302 PolarHBondContact O-N 3.24Å; P300-N312 PolarHBondContact O-ND2 2.88Å
301A83.6Confident87.6Confident3 Ų329.6 Ų29.63%0.02519%0.189CC..  trans-84.492.2170.300000110.4F297 S299 P303 G304 V308 Y309F297-A301 HydrophobicContact CD2-CB 4.19Å; F297-A301 HydrophobicContact CE2-CB 4Å; S299-A301 PolarHBondContact O-N 3.19Å; A301-P303 CarbonylContact O-C 3.59Å; A301-G304 WeakPolarHBondContact O-CA 3.33Å; A301-G304 PolarHBondContact O-N 3.3Å; A301-V308 HydrophobicContact CB-CG1 3.9Å; A301-Y309 HydrophobicContact CB-CD2 3.85Å; A301-Y309 HydrophobicContact CB-CE2 3.65Å
302S75.4Confident87.2Confident31 Ų3129.1 Ų29.122%0.21719%0.188CC..SBendtrans-132.9122179.7-178.50000112.1P300P300-S302 PolarHBondContact O-N 3.24Å
303P75.5Confident87Confident59 Ų5925.1 Ų25.138%0.38316%0.155SC..SBendcis-64.1157.3-4.830.5-36.6000111.4A301 S305 V308A301-P303 CarbonylContact O-C 3.59Å; P303-S305 PolarHBondContact O-N 3.05Å; P303-V308 HydrophobicContact CG-CG2 4.34Å; P303-V308 WeakPolarHBondContact O-CB 3.28Å; P303-V308 WeakPolarHBondContact O-CG2 3.38Å
304G83Confident86.7Confident5 Ų523.7 Ų23.75%0.05215%0.146CC..  trans-73.343.8-178.500000113.8H262 A301H262-G304 PolarHBondContact CE1-O 3.47Å; H262-G304 WeakPolarHBondContact NE2-CA 3.15Å; H262-G304 PolarHBondContact NE2-O 2.96Å; H262-G304 VanDerWaalsContact NE2-O 3.09Å; A301-G304 WeakPolarHBondContact O-CA 3.33Å; A301-G304 PolarHBondContact O-N 3.3Å
305S90.6Very high86.2Confident4 Ų430.2 Ų30.23%0.02816%0.156CC..  trans-83.7156.1179.577.30000111.8L258 P303 I307 V308 Y309L258-S305 WeakPolarHBondContact O-CB 3.46Å; L258-S305 PolarHBondContact O-OG 3.48Å; P303-S305 PolarHBondContact O-N 3.05Å; S305-I307 PolarHBondContact O-N 3.25Å; S305-I307 PolarHBondContact OG-N 3.32Å; S305-V308 PolarHBondContact O-N 3.24Å; S305-V308 VanDerWaalsContact O-N 3.11Å; S305-V308 WeakPolarHBondContact OG-CG2 3.31Å; S305-V308 PolarHBondContact OG-N 2.88Å; S305-V308 VanDerWaalsContact OG-N 3.13Å; S305-Y309 WeakPolarHBondContact O-CD2 3.41Å; S305-Y309 PolarHBondContact O-N 2.84Å
306F94Very high85.8Confident39 Ų3933.3 Ų33.317%0.17119%0.189CC..Hα-helixtrans-58.7-34.2172-175.6-108.3000112.2F257 Y309 C310 M321 L322 V325F257-F306 HydrophobicContact CD1-CB 4.02Å; F257-F306 HydrophobicContact CD1-CG 4.48Å; F257-F306 HydrophobicContact CD2-CB 4.06Å; F257-F306 HydrophobicContact CE1-CB 3.61Å; F257-F306 AromaticContact CE1-CD1 3.73Å; F257-F306 HydrophobicContact CE1-CD1 3.73Å; F257-F306 HydrophobicContact CE1-CD2 4.29Å; F257-F306 HydrophobicContact CE1-CE1 4.49Å; F257-F306 AromaticContact CE1-CG 3.6Å; F257-F306 HydrophobicContact CE1-CG 3.6Å; F257-F306 HydrophobicContact CE2-CB 3.67Å; F257-F306 AromaticContact CE2-CD2 3.89Å; F257-F306 HydrophobicContact CE2-CD2 3.89Å; F257-F306 AromaticContact CE2-CG 3.86Å; F257-F306 HydrophobicContact CE2-CG 3.86Å; F257-F306 HydrophobicContact CG-CB 4.23Å; F257-F306 HydrophobicContact CZ-CB 3.43Å; F257-F306 VanDerWaalsContact CZ-CB 3.43Å; F257-F306 AromaticContact CZ-CD1 3.74Å; F257-F306 HydrophobicContact CZ-CD1 3.74Å; F257-F306 AromaticContact CZ-CD2 3.47Å; F257-F306 HydrophobicContact CZ-CD2 3.47Å; F257-F306 VanDerWaalsContact CZ-CD2 3.47Å; F257-F306 HydrophobicContact CZ-CE1 4.35Å; F257-F306 HydrophobicContact CZ-CE2 4.13Å; F257-F306 AromaticContact CZ-CG 3.23Å; F257-F306 HydrophobicContact CZ-CG 3.23Å; F257-F306 WeakPolarHBondContact O-CB 3.24Å; F257-F306 PolarHBondContact O-N 3.01Å; F306-Y309 WeakPolarHBondContact O-CB 3.45Å; F306-Y309 PolarHBondContact O-N 3.22Å; F306-C310 WeakPolarHBondContact CE1-SG 3.31Å; F306-C310 VanDerWaalsContact CZ-SG 3.59Å; F306-C310 PolarHBondContact O-N 3.22Å; F306-C310 PolarHBondContact O-SG 3.4Å; F306-M321 HydrophobicContact CE2-CE 4.26Å; F306-M321 HydrophobicContact CE2-SD 4.09Å; F306-L322 HydrophobicContact CE2-CD1 4.11Å; F306-L322 HydrophobicContact CZ-CD1 3.87Å; F306-V325 HydrophobicContact CD2-CG1 4.23Å
307I90.3Very high85.7Confident88 Ų8835.7 Ų35.745%0.45120%0.2SC..Hα-helixtrans-61.3-47.4175.5-60.7174.1000109.9L258 S305 Y309 C310 L311L258-I307 HydrophobicContact CB-CD1 4.29Å; L258-I307 HydrophobicContact CD2-CD1 4.47Å; L258-I307 HydrophobicContact CD2-CG1 4.27Å; S305-I307 PolarHBondContact O-N 3.25Å; S305-I307 PolarHBondContact OG-N 3.32Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 3.47Å; I307-C310 WeakPolarHBondContact O-CB 3.39Å; I307-C310 PolarHBondContact O-N 3Å; I307-L311 HydrophobicContact CG2-CD1 4.05Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 3.3Å
308V88Confident85.8Confident23 Ų2340.2 Ų40.214%0.13922%0.22CC..Hα-helixtrans-66.1-37.7178.1174.60000111A301 P303 S305 C310 L311 N312A301-V308 HydrophobicContact CB-CG1 3.9Å; P303-V308 HydrophobicContact CG-CG2 4.34Å; P303-V308 WeakPolarHBondContact O-CB 3.28Å; P303-V308 WeakPolarHBondContact O-CG2 3.38Å; S305-V308 PolarHBondContact O-N 3.24Å; S305-V308 VanDerWaalsContact O-N 3.11Å; S305-V308 WeakPolarHBondContact OG-CG2 3.31Å; S305-V308 PolarHBondContact OG-N 2.88Å; S305-V308 VanDerWaalsContact OG-N 3.13Å; V308-C310 PolarHBondContact O-N 3.13Å; V308-L311 PolarHBondContact O-N 3.21Å; V308-N312 WeakPolarHBondContact O-CB 3.32Å; V308-N312 PolarHBondContact O-N 3.24Å
309Y92.4Very high86.3Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-57.5-46.5172.2-92.2-126.5000112.1T222 S225 N226 F297 A301 S305 F306 I307 L311 N312 A313 M321 V325T222-Y309 PolarHBondContact O-OH 3.37Å; S225-Y309 VanDerWaalsContact O-CE2 3.28Å; S225-Y309 WeakPolarHBondContact O-CE2 3.29Å; S225-Y309 PolarHBondContact O-OH 3.01Å; S225-Y309 PolarHBondContact OG-OH 3.15Å; N226-Y309 WeakPolarHBondContact CA-OH 3.06Å; N226-Y309 PolarHBondContact N-OH 3Å; F297-Y309 HydrophobicContact CE2-CD1 4.01Å; F297-Y309 HydrophobicContact CE2-CD2 4.08Å; F297-Y309 AromaticContact CE2-CE1 3.79Å; F297-Y309 HydrophobicContact CE2-CE1 3.79Å; F297-Y309 AromaticContact CE2-CE2 3.87Å; F297-Y309 HydrophobicContact CE2-CE2 3.87Å; F297-Y309 HydrophobicContact CE2-CG 4.11Å; F297-Y309 AromaticContact CE2-CZ 3.68Å; F297-Y309 AromaticContact CZ-CD1 3.57Å; F297-Y309 HydrophobicContact CZ-CD1 3.57Å; F297-Y309 HydrophobicContact CZ-CD2 4.04Å; F297-Y309 AromaticContact CZ-CE1 3.82Å; F297-Y309 HydrophobicContact CZ-CE1 3.82Å; F297-Y309 HydrophobicContact CZ-CE2 4.26Å; F297-Y309 AromaticContact CZ-CG 3.65Å; F297-Y309 HydrophobicContact CZ-CG 3.65Å; A301-Y309 HydrophobicContact CB-CD2 3.85Å; A301-Y309 HydrophobicContact CB-CE2 3.65Å; S305-Y309 WeakPolarHBondContact O-CD2 3.41Å; S305-Y309 PolarHBondContact O-N 2.84Å; F306-Y309 WeakPolarHBondContact O-CB 3.45Å; F306-Y309 PolarHBondContact O-N 3.22Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 3.47Å; Y309-L311 VanDerWaalsContact C-N 3.33Å; Y309-L311 PolarHBondContact O-N 3.41Å; Y309-N312 PolarHBondContact O-N 2.82Å; Y309-A313 VanDerWaalsContact O-CB 3.31Å; Y309-A313 WeakPolarHBondContact O-CB 3.34Å; Y309-A313 PolarHBondContact O-N 2.84Å; Y309-M321 HydrophobicContact CD1-CG 4.07Å; Y309-M321 HydrophobicContact CD1-SD 4Å; Y309-M321 HydrophobicContact CG-SD 4.48Å; Y309-V325 HydrophobicContact CD1-CG2 3.62Å; Y309-V325 HydrophobicContact CE1-CG2 3.9Å
310C90.4Very high86.9Confident26 Ų2647.5 Ų47.518%0.17626%0.257CS..Hα-helixtrans-62-39.2176.1-69.20000112.5F306 I307 V308 F318F306-C310 WeakPolarHBondContact CE1-SG 3.31Å; F306-C310 VanDerWaalsContact CZ-SG 3.59Å; F306-C310 PolarHBondContact O-N 3.22Å; F306-C310 PolarHBondContact O-SG 3.4Å; I307-C310 WeakPolarHBondContact O-CB 3.39Å; I307-C310 PolarHBondContact O-N 3Å; V308-C310 PolarHBondContact O-N 3.13Å; C310-F318 HydrophobicContact CB-CE2 3.87Å; C310-F318 VanDerWaalsContact SG-CE2 3.54Å
311L86.7Confident87.5Confident85 Ų8546.5 Ų46.545%0.44525%0.251SS..Hα-helixtrans-73.4-37.2180-68.6171.3000112.8I307 V308 Y309I307-L311 HydrophobicContact CG2-CD1 4.05Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 3.3Å; V308-L311 PolarHBondContact O-N 3.21Å; Y309-L311 VanDerWaalsContact C-N 3.33Å; Y309-L311 PolarHBondContact O-N 3.41Å
312N85.5Confident88.1Confident19 Ų1949.7 Ų49.710%0.10227%0.267CS..Hα-helixtrans-86.4-16.1-178.5-81.6-15.1000113.8F297 S299 P300 V308 Y309F297-N312 HydrophobicContact CD1-CB 3.76Å; F297-N312 WeakPolarHBondContact CD1-O 3.38Å; F297-N312 HydrophobicContact CE1-CB 3.98Å; F297-N312 HydrophobicContact CG-CB 4.25Å; S299-N312 PolarHBondContact OG-OD1 3.25Å; P300-N312 PolarHBondContact O-ND2 2.88Å; V308-N312 WeakPolarHBondContact O-CB 3.32Å; V308-N312 PolarHBondContact O-N 3.24Å; Y309-N312 PolarHBondContact O-N 2.82Å
313A88.2Confident89.1Confident5 Ų551.7 Ų51.74%0.04128%0.275CS..SBendtrans-57.3126.9178.600000110.4F297 Y309 F318 M321F297-A313 HydrophobicContact CE1-CB 4.33Å; Y309-A313 VanDerWaalsContact O-CB 3.31Å; Y309-A313 WeakPolarHBondContact O-CB 3.34Å; Y309-A313 PolarHBondContact O-N 2.84Å; A313-F318 HydrophobicContact CB-CD2 4.47Å; A313-M321 HydrophobicContact CB-CB 4.27Å; A313-M321 HydrophobicContact CB-CG 4.23Å
314P84.7Confident90.1Very high14 Ų1448.9 Ų48.99%0.09126%0.257CS..PPolyproline II helixtrans-57.1150.2173.4-22.532.4000111.4G296 G316 E317G296-P314 WeakPolarHBondContact O-CD 3.47Å; G296-P314 WeakPolarHBondContact O-CG 3.49Å; P314-G316 PolarHBondContact O-N 2.98Å; P314-E317 HydrophobicContact CB-CB 4.13Å; P314-E317 HydrophobicContact CB-CG 3.96Å; P314-E317 HydrophobicContact CG-CB 4.44Å; P314-E317 HydrophobicContact CG-CG 4.41Å; P314-E317 WeakPolarHBondContact O-CB 3.13Å; P314-E317 PolarHBondContact O-N 3.35Å
315R80.1Confident90.8Very high182 Ų18248.9 Ų48.969%0.68726%0.256SS*.THydrogen-bonded Turntrans-59.3129.2178-171.4177.6178.6159.7-0.2110.1E317R315-E317 VanDerWaalsContact C-N 3.31Å
316G84.9Confident91.1Very high68 Ų6854.5 Ų54.570%0.70128%0.28SS*.THydrogen-bonded Turntrans89.7-17.4-177.300000114.7P314P314-G316 PolarHBondContact O-N 2.98Å
317E89.1Confident91.3Very high49 Ų4955 Ų5523%0.22928%0.284CS..  trans-95.77.1-174.4-68-64.5132.900113.5F295 P314 R315 L319 H320 M321F295-E317 HydrophobicContact CD2-CB 3.83Å; F295-E317 HydrophobicContact CE2-CB 3.82Å; P314-E317 HydrophobicContact CB-CB 4.13Å; P314-E317 HydrophobicContact CB-CG 3.96Å; P314-E317 HydrophobicContact CG-CB 4.44Å; P314-E317 HydrophobicContact CG-CG 4.41Å; P314-E317 WeakPolarHBondContact O-CB 3.13Å; P314-E317 PolarHBondContact O-N 3.35Å; R315-E317 VanDerWaalsContact C-N 3.31Å; E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.98Å; E317-H320 PolarHBondContact O-N 3.02Å; E317-H320 IonicContact OE1-CE1 3.93Å; E317-H320 IonicContact OE1-ND1 2.68Å; E317-H320 IonicContact OE2-CE1 3.8Å; E317-H320 IonicContact OE2-CG 2.77Å; E317-H320 IonicContact OE2-ND1 2.77Å; E317-H320 PolarHBondContact OE2-ND1 3.47Å; E317-M321 PolarHBondContact O-N 3.3Å
318F91.4Very high91.7Very high96 Ų9650.8 Ų50.842%0.42126%0.263SS..Hα-helixtrans-61-36.7-175.1-167.6-93.7000112.8C310 A313 M321 L322C310-F318 HydrophobicContact CB-CE2 3.87Å; C310-F318 VanDerWaalsContact SG-CE2 3.54Å; A313-F318 HydrophobicContact CB-CD2 4.47Å; F318-M321 HydrophobicContact CD2-CE 3.66Å; F318-M321 HydrophobicContact CE1-CE 4.37Å; F318-M321 HydrophobicContact CE2-CE 3.43Å; F318-M321 VanDerWaalsContact CE2-CE 3.43Å; F318-M321 HydrophobicContact CG-CE 4.24Å; F318-M321 HydrophobicContact CZ-CE 3.81Å; F318-M321 WeakPolarHBondContact O-CB 3.23Å; F318-M321 PolarHBondContact O-N 3.01Å; F318-L322 WeakPolarHBondContact O-CB 3.39Å; F318-L322 PolarHBondContact O-N 3.49Å
319L93.8Very high92.2Very high123 Ų12350.1 Ų50.164%0.64426%0.259SS*.Hα-helixtrans-66.3-42.5178.2-17565000111.3E317 L322 L323E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.98Å; L319-L322 PolarHBondContact O-N 2.81Å; L319-L323 VanDerWaalsContact O-CB 3.31Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 PolarHBondContact O-N 3.45Å
320H94.8Very high92.5Very high57 Ų5753.6 Ų53.626%0.26428%0.277SS..Hα-helixtrans-64.3-44.9176.6-56.5130.1000111Y290 T293 F295 E317 L322 L323 G324Y290-H320 VanDerWaalsContact CE1-O 3.31Å; Y290-H320 WeakPolarHBondContact CE1-O 3.4Å; T293-H320 HydrophobicContact CG2-CB 4.31Å; T293-H320 VanDerWaalsContact CG2-CD2 3.49Å; T293-H320 WeakPolarHBondContact CG2-CD2 3.25Å; F295-H320 HydrophobicContact CB-CB 4.14Å; F295-H320 HydrophobicContact CD2-CB 4Å; F295-H320 HydrophobicContact CG-CB 4.33Å; E317-H320 PolarHBondContact O-N 3.02Å; E317-H320 IonicContact OE1-CE1 3.93Å; E317-H320 IonicContact OE1-ND1 2.68Å; E317-H320 IonicContact OE2-CE1 3.8Å; E317-H320 IonicContact OE2-CG 2.77Å; E317-H320 IonicContact OE2-ND1 2.77Å; E317-H320 PolarHBondContact OE2-ND1 3.47Å; H320-L322 PolarHBondContact O-N 2.87Å; H320-L323 PolarHBondContact O-N 3Å; H320-G324 PolarHBondContact O-N 3.42Å; H320-G324 VanDerWaalsContact O-N 3.07Å
321M95Very high92.8Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-52.7-54.5173.3-176.1-82.6-66.100111.2Y290 F295 F297 F306 Y309 A313 E317 F318 L323 G324 V325Y290-M321 PolarHBondContact OH-O 3.48Å; F295-M321 HydrophobicContact CD2-CB 4.41Å; F295-M321 HydrophobicContact CE1-CB 4.2Å; F295-M321 HydrophobicContact CE1-CG 4.28Å; F295-M321 HydrophobicContact CE2-CB 3.59Å; F295-M321 HydrophobicContact CE2-CG 4.32Å; F295-M321 HydrophobicContact CZ-CB 3.46Å; F295-M321 VanDerWaalsContact CZ-CB 3.46Å; F295-M321 HydrophobicContact CZ-CG 3.69Å; F297-M321 HydrophobicContact CE1-CG 4.45Å; F297-M321 HydrophobicContact CZ-CG 4.35Å; F306-M321 HydrophobicContact CE2-CE 4.26Å; F306-M321 HydrophobicContact CE2-SD 4.09Å; Y309-M321 HydrophobicContact CD1-CG 4.07Å; Y309-M321 HydrophobicContact CD1-SD 4Å; Y309-M321 HydrophobicContact CG-SD 4.48Å; A313-M321 HydrophobicContact CB-CB 4.27Å; A313-M321 HydrophobicContact CB-CG 4.23Å; E317-M321 PolarHBondContact O-N 3.3Å; F318-M321 HydrophobicContact CD2-CE 3.66Å; F318-M321 HydrophobicContact CE1-CE 4.37Å; F318-M321 HydrophobicContact CE2-CE 3.43Å; F318-M321 VanDerWaalsContact CE2-CE 3.43Å; F318-M321 HydrophobicContact CG-CE 4.24Å; F318-M321 HydrophobicContact CZ-CE 3.81Å; F318-M321 WeakPolarHBondContact O-CB 3.23Å; F318-M321 PolarHBondContact O-N 3.01Å; M321-L323 VanDerWaalsContact C-N 3.34Å; M321-L323 PolarHBondContact O-N 3.32Å; M321-G324 PolarHBondContact O-N 3.32Å; M321-V325 PolarHBondContact O-N 2.91Å; M321-V325 VanDerWaalsContact O-N 3.16Å; M321-V325 HydrophobicContact SD-CG2 4.09Å
322L96.4Very high93.4Very high70 Ų7050.2 Ų50.237%0.36626%0.26SS..Hα-helixtrans-59.6-45.1-178.7-175.180.6000111.1F306 F318 L319 H320 G324 V325 F326F306-L322 HydrophobicContact CE2-CD1 4.11Å; F306-L322 HydrophobicContact CZ-CD1 3.87Å; F318-L322 WeakPolarHBondContact O-CB 3.39Å; F318-L322 PolarHBondContact O-N 3.49Å; L319-L322 PolarHBondContact O-N 2.81Å; H320-L322 PolarHBondContact O-N 2.87Å; L322-G324 VanDerWaalsContact C-N 3.35Å; L322-G324 PolarHBondContact O-N 2.88Å; L322-V325 PolarHBondContact O-N 2.94Å; L322-F326 VanDerWaalsContact O-CB 3.24Å; L322-F326 WeakPolarHBondContact O-CB 3.36Å; L322-F326 PolarHBondContact O-N 3.36Å
323L96.4Very high94Very high74 Ų7451.6 Ų51.639%0.38727%0.265SS..Hα-helixtrans-59.5-45.3-179.4-172.368000111.2T289 L319 H320 M321 F326 L327T289-L323 HydrophobicContact CG2-CB 4.25Å; T289-L323 HydrophobicContact CG2-CD2 3.82Å; T289-L323 HydrophobicContact CG2-CG 3.83Å; L319-L323 VanDerWaalsContact O-CB 3.31Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 PolarHBondContact O-N 3.45Å; H320-L323 PolarHBondContact O-N 3Å; M321-L323 VanDerWaalsContact C-N 3.34Å; M321-L323 PolarHBondContact O-N 3.32Å; L323-F326 PolarHBondContact O-N 2.92Å; L323-L327 HydrophobicContact CD1-CD1 3.85Å; L323-L327 HydrophobicContact CD1-CG 3.99Å; L323-L327 HydrophobicContact CD2-CD1 4.41Å; L323-L327 HydrophobicContact CG-CD1 3.78Å; L323-L327 HydrophobicContact CG-CG 4.22Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.31Å; L323-L327 PolarHBondContact O-N 3.2Å
324G96.7Very high94.5Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-67.7-35.1178.600000113.8Y290 H320 M321 L322 A328Y290-G324 VanDerWaalsContact CE1-CA 3.49Å; H320-G324 PolarHBondContact O-N 3.42Å; H320-G324 VanDerWaalsContact O-N 3.07Å; M321-G324 PolarHBondContact O-N 3.32Å; L322-G324 VanDerWaalsContact C-N 3.35Å; L322-G324 PolarHBondContact O-N 2.88Å; G324-A328 WeakPolarHBondContact O-CB 3.46Å; G324-A328 PolarHBondContact O-N 3.49Å
325V97.4Very high95.1Very high5 Ų555.1 Ų55.13%0.0329%0.285CS..Hα-helixtrans-68.8-46.3173.2176.90000110.6P227 G228 F257 Y290 F306 Y309 M321 L322 A329P227-V325 HydrophobicContact CG-CG1 4.11Å; G228-V325 WeakPolarHBondContact CA-O 3.15Å; F257-V325 HydrophobicContact CE2-CG1 3.94Å; Y290-V325 WeakPolarHBondContact OH-CG2 3.25Å; Y290-V325 PolarHBondContact OH-N 2.82Å; F306-V325 HydrophobicContact CD2-CG1 4.23Å; Y309-V325 HydrophobicContact CD1-CG2 3.62Å; Y309-V325 HydrophobicContact CE1-CG2 3.9Å; M321-V325 PolarHBondContact O-N 2.91Å; M321-V325 VanDerWaalsContact O-N 3.16Å; M321-V325 HydrophobicContact SD-CG2 4.09Å; L322-V325 PolarHBondContact O-N 2.94Å; V325-A329 WeakPolarHBondContact O-CB 3.43Å; V325-A329 PolarHBondContact O-N 3.35Å
326F97.8Very high95.9Very high121 Ų12146.5 Ų46.553%0.53125%0.253SS..Hα-helixtrans-64.9-50-177.4175.3-100.6000112.1L322 L323 A328 A329 L330L322-F326 VanDerWaalsContact O-CB 3.24Å; L322-F326 WeakPolarHBondContact O-CB 3.36Å; L322-F326 PolarHBondContact O-N 3.36Å; L323-F326 PolarHBondContact O-N 2.92Å; F326-A328 VanDerWaalsContact C-N 3.34Å; F326-A328 PolarHBondContact O-N 3.49Å; F326-A329 PolarHBondContact O-N 2.71Å; F326-L330 HydrophobicContact CE1-CD2 4.1Å; F326-L330 HydrophobicContact CZ-CD2 4.4Å; F326-L330 WeakPolarHBondContact O-CB 3.37Å; F326-L330 PolarHBondContact O-N 2.91Å
327L98.1Very high96.4Very high50 Ų5043.9 Ų43.926%0.26223%0.225SC..Hα-helixtrans-65.4-38.2-179.9-68.8179.6000111.7T285 T289 L323 L330 V331T285-L327 HydrophobicContact CG2-CB 3.75Å; T289-L327 HydrophobicContact CG2-CD1 4.14Å; L323-L327 HydrophobicContact CD1-CD1 3.85Å; L323-L327 HydrophobicContact CD1-CG 3.99Å; L323-L327 HydrophobicContact CD2-CD1 4.41Å; L323-L327 HydrophobicContact CG-CD1 3.78Å; L323-L327 HydrophobicContact CG-CG 4.22Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.31Å; L323-L327 PolarHBondContact O-N 3.2Å; L327-L330 HydrophobicContact CD2-CD2 4.46Å; L327-L330 PolarHBondContact O-N 3.33Å; L327-V331 WeakPolarHBondContact O-CG2 3.47Å; L327-V331 PolarHBondContact O-N 3Å
328A98Very high96.7Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-61.3-43.5173.400000112.2P229 G282 G324 F326 S332P229-A328 HydrophobicContact CG-CB 4.17Å; G282-A328 WeakPolarHBondContact CA-O 3.41Å; G282-A328 VanDerWaalsContact O-CA 3.3Å; G282-A328 WeakPolarHBondContact O-CA 3.41Å; G282-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 WeakPolarHBondContact O-CB 3.46Å; G324-A328 PolarHBondContact O-N 3.49Å; F326-A328 VanDerWaalsContact C-N 3.34Å; F326-A328 PolarHBondContact O-N 3.49Å; A328-S332 VanDerWaalsContact O-CB 3.27Å; A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 3.04Å; A328-S332 VanDerWaalsContact O-N 3.1Å
329A98.3Very high96.8Very high8 Ų842.4 Ų42.47%0.06622%0.222CC..Hα-helixtrans-65.2-43.7175.100000112.4G228 L231 G232 V325 F326 F333G228-A329 WeakPolarHBondContact O-CA 3.27Å; G228-A329 WeakPolarHBondContact O-CB 3.4Å; L231-A329 HydrophobicContact CB-CB 4.48Å; L231-A329 HydrophobicContact CD2-CB 4.27Å; G232-A329 VanDerWaalsContact CA-O 3.29Å; G232-A329 WeakPolarHBondContact CA-O 3.42Å; V325-A329 WeakPolarHBondContact O-CB 3.43Å; V325-A329 PolarHBondContact O-N 3.35Å; F326-A329 PolarHBondContact O-N 2.71Å; A329-F333 WeakPolarHBondContact O-CB 3.45Å; A329-F333 PolarHBondContact O-N 2.87Å
330L98.3Very high96.6Very high73 Ų7337.3 Ų37.338%0.38220%0.195SC..Hα-helixtrans-62.4-49.5-179.5179.963.3000111.4F326 L327 F333 V334F326-L330 HydrophobicContact CE1-CD2 4.1Å; F326-L330 HydrophobicContact CZ-CD2 4.4Å; F326-L330 WeakPolarHBondContact O-CB 3.37Å; F326-L330 PolarHBondContact O-N 2.91Å; L327-L330 HydrophobicContact CD2-CD2 4.46Å; L327-L330 PolarHBondContact O-N 3.33Å; L330-F333 PolarHBondContact O-N 2.96Å; L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 VanDerWaalsContact O-CG2 3.31Å; L330-V334 WeakPolarHBondContact O-CG2 3.4Å; L330-V334 PolarHBondContact O-N 3.3Å
331V98.3Very high96.3Very high41 Ų4142 Ų4225%0.24822%0.215CC..Hα-helixtrans-64-47.2179.4170.50000110.8L281 T285 L327 F333 V334 V335L281-V331 HydrophobicContact CB-CG1 3.9Å; T285-V331 HydrophobicContact CG2-CG2 3.89Å; L327-V331 WeakPolarHBondContact O-CG2 3.47Å; L327-V331 PolarHBondContact O-N 3Å; V331-F333 VanDerWaalsContact C-N 3.31Å; V331-F333 PolarHBondContact O-N 2.94Å; V331-V334 PolarHBondContact O-N 2.8Å; V331-V335 HydrophobicContact CG1-CG2 4.32Å; V331-V335 WeakPolarHBondContact O-CB 3.37Å; V331-V335 VanDerWaalsContact O-CG2 3.27Å; V331-V335 WeakPolarHBondContact O-CG2 3.22Å; V331-V335 PolarHBondContact O-N 3.17Å
332S98.2Very high95.9Very high0 Ų049.4 Ų49.40%025%0.247CC..Hα-helixtrans-58.7-43.8176.2177.60000111.7P229 I233 A278 A328 A336P229-S332 WeakPolarHBondContact O-CB 3.5Å; P229-S332 PolarHBondContact O-OG 3.47Å; I233-S332 WeakPolarHBondContact CD1-OG 3.23Å; A278-S332 WeakPolarHBondContact O-CA 3.38Å; A328-S332 VanDerWaalsContact O-CB 3.27Å; A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 3.04Å; A328-S332 VanDerWaalsContact O-N 3.1Å; S332-A336 WeakPolarHBondContact O-CB 3.44Å; S332-A336 PolarHBondContact O-N 2.97Å
333F98.3Very high95.3Very high47 Ų4748.2 Ų48.221%0.20624%0.243CC..Hα-helixtrans-60.7-50.7176.4169.9-104.3000112.6G232 L235 A236 I239 F240 A329 L330 V331 V335 A336 A337G232-F333 WeakPolarHBondContact O-CA 3.34Å; L235-F333 HydrophobicContact CB-CD2 3.68Å; L235-F333 HydrophobicContact CB-CE2 4.17Å; A236-F333 HydrophobicContact CB-CD2 3.9Å; A236-F333 HydrophobicContact CB-CE2 4.24Å; I239-F333 HydrophobicContact CD1-CE2 3.85Å; I239-F333 HydrophobicContact CD1-CZ 3.78Å; F240-F333 HydrophobicContact CE2-CE2 4.38Å; F240-F333 HydrophobicContact CE2-CZ 4.15Å; A329-F333 WeakPolarHBondContact O-CB 3.45Å; A329-F333 PolarHBondContact O-N 2.87Å; L330-F333 PolarHBondContact O-N 2.96Å; V331-F333 VanDerWaalsContact C-N 3.31Å; V331-F333 PolarHBondContact O-N 2.94Å; F333-V335 PolarHBondContact O-N 3.4Å; F333-A336 PolarHBondContact O-N 3.49Å; F333-A337 VanDerWaalsContact O-CB 3.23Å; F333-A337 WeakPolarHBondContact O-CB 3.37Å; F333-A337 PolarHBondContact O-N 3.33Å
334V98Very high93.9Very high66 Ų6656 Ų5640%0.427%0.267SS..Hα-helixtrans-61.8-47.2-178170.10000110.6L330 V331 A337 L338L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 VanDerWaalsContact O-CG2 3.31Å; L330-V334 WeakPolarHBondContact O-CG2 3.4Å; L330-V334 PolarHBondContact O-N 3.3Å; V331-V334 PolarHBondContact O-N 2.8Å; V334-A337 PolarHBondContact O-N 2.85Å; V334-L338 HydrophobicContact CG1-CD1 4.16Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.21Å; V334-L338 PolarHBondContact O-N 3.39Å
335V97.5Very high92.7Very high28 Ų2862.3 Ų62.317%0.1730%0.297CS..Hα-helixtrans-65.1-43.3179.3178.30000110.6I277 A278 L281 V331 F333 L338 I339I277-V335 HydrophobicContact CG2-CG1 4.23Å; A278-V335 HydrophobicContact CB-CB 3.96Å; A278-V335 HydrophobicContact CB-CG1 3.81Å; L281-V335 HydrophobicContact CD1-CG1 4.34Å; L281-V335 HydrophobicContact CD1-CG2 3.96Å; V331-V335 HydrophobicContact CG1-CG2 4.32Å; V331-V335 WeakPolarHBondContact O-CB 3.37Å; V331-V335 VanDerWaalsContact O-CG2 3.27Å; V331-V335 WeakPolarHBondContact O-CG2 3.22Å; V331-V335 PolarHBondContact O-N 3.17Å; F333-V335 PolarHBondContact O-N 3.4Å; V335-L338 PolarHBondContact O-N 2.86Å; V335-I339 HydrophobicContact CG1-CD1 3.77Å; V335-I339 HydrophobicContact CG1-CG1 4.43Å; V335-I339 WeakPolarHBondContact O-CB 3.35Å; V335-I339 VanDerWaalsContact O-CG1 3.24Å; V335-I339 WeakPolarHBondContact O-CG1 3.32Å; V335-I339 PolarHBondContact O-N 3.28Å
336A97.1Very high91.5Very high0 Ų064 Ų640%031%0.308CS..Hα-helixtrans-63.2-42.6176.500000112.5I233 A236 L275 A278 S332 F333 I339 M340I233-A336 HydrophobicContact CD1-CB 3.72Å; A236-A336 HydrophobicContact CB-CB 3.62Å; L275-A336 HydrophobicContact CD2-CB 3.69Å; A278-A336 HydrophobicContact CB-CB 4Å; S332-A336 WeakPolarHBondContact O-CB 3.44Å; S332-A336 PolarHBondContact O-N 2.97Å; F333-A336 PolarHBondContact O-N 3.49Å; A336-I339 PolarHBondContact O-N 2.86Å; A336-M340 WeakPolarHBondContact O-CB 3.49Å; A336-M340 WeakPolarHBondContact O-CE 3.46Å; A336-M340 WeakPolarHBondContact O-CG 3.49Å; A336-M340 PolarHBondContact O-N 2.89Å
337A95.8Very high90.2Very high13 Ų1366.9 Ų66.911%0.10732%0.32CS..Hα-helixtrans-60.9-44.4176.700000111.5F240 F333 V334 M340 K341F240-A337 HydrophobicContact CD2-CB 3.87Å; F240-A337 HydrophobicContact CE2-CB 3.55Å; F240-A337 HydrophobicContact CZ-CB 4.35Å; F333-A337 VanDerWaalsContact O-CB 3.23Å; F333-A337 WeakPolarHBondContact O-CB 3.37Å; F333-A337 PolarHBondContact O-N 3.33Å; V334-A337 PolarHBondContact O-N 2.85Å; A337-M340 PolarHBondContact O-N 3.43Å; A337-K341 WeakPolarHBondContact O-CB 3.24Å; A337-K341 PolarHBondContact O-N 3.41Å
338L95.2Very high89.2Confident91 Ų9166.9 Ų66.948%0.47632%0.319SS..Hα-helixtrans-61.5-49.9174.3-69.4170.5000111.1V334 V335 M340 K341 F342V334-L338 HydrophobicContact CG1-CD1 4.16Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.21Å; V334-L338 PolarHBondContact O-N 3.39Å; V335-L338 PolarHBondContact O-N 2.86Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 3.22Å; L338-K341 PolarHBondContact O-N 2.88Å; L338-F342 HydrophobicContact CB-CD2 4.48Å; L338-F342 HydrophobicContact CD2-CE2 3.88Å; L338-F342 WeakPolarHBondContact O-CD2 3.19Å; L338-F342 PolarHBondContact O-N 2.94Å
339I93.8Very high88.5Confident23 Ų2371.1 Ų71.112%0.11834%0.341CS..Hα-helixtrans-56-49.2178.2-71.6167.3000110.2L274 L275 I277 A278 V335 A336 K341 F342 T343L274-I339 HydrophobicContact CB-CD1 4.43Å; L274-I339 HydrophobicContact CB-CG2 3.71Å; L274-I339 WeakPolarHBondContact O-CD1 3.49Å; L275-I339 HydrophobicContact CD2-CB 4.17Å; L275-I339 HydrophobicContact CD2-CD1 4.27Å; L275-I339 HydrophobicContact CD2-CG2 3.94Å; I277-I339 HydrophobicContact CB-CD1 4.44Å; A278-I339 HydrophobicContact CB-CD1 4.48Å; V335-I339 HydrophobicContact CG1-CD1 3.77Å; V335-I339 HydrophobicContact CG1-CG1 4.43Å; V335-I339 WeakPolarHBondContact O-CB 3.35Å; V335-I339 VanDerWaalsContact O-CG1 3.24Å; V335-I339 WeakPolarHBondContact O-CG1 3.32Å; V335-I339 PolarHBondContact O-N 3.28Å; A336-I339 PolarHBondContact O-N 2.86Å; I339-K341 VanDerWaalsContact C-N 3.29Å; I339-K341 PolarHBondContact O-N 3.43Å; I339-F342 PolarHBondContact O-N 3.47Å; I339-T343 HydrophobicContact CG2-CG2 4.08Å; I339-T343 VanDerWaalsContact O-CB 3.25Å; I339-T343 WeakPolarHBondContact O-CB 3.48Å; I339-T343 VanDerWaalsContact O-CG2 3.22Å; I339-T343 WeakPolarHBondContact O-CG2 3.36Å; I339-T343 PolarHBondContact O-N 2.88Å; I339-T343 PolarHBondContact O-OG1 2.78Å
340M90.1Very high87.6Confident17 Ų1770.9 Ų70.98%0.08434%0.339CS..Hα-helixtrans-67.1-29.4-177.8-72.4-173.4-59.500113.8A236 Y237 F240 R272 A336 A337 L338A236-M340 VanDerWaalsContact C-CE 3.45Å; A236-M340 HydrophobicContact CB-CE 3.24Å; A236-M340 WeakPolarHBondContact O-CE 3.2Å; Y237-M340 HydrophobicContact CD2-SD 4.2Å; Y237-M340 HydrophobicContact CE2-SD 4.16Å; Y237-M340 HydrophobicContact CG-SD 4.38Å; F240-M340 HydrophobicContact CB-CE 3.81Å; F240-M340 HydrophobicContact CD2-CE 4.24Å; F240-M340 HydrophobicContact CG-CE 4.46Å; R272-M340 PolarHBondContact NH1-O 2.9Å; A336-M340 WeakPolarHBondContact O-CB 3.49Å; A336-M340 WeakPolarHBondContact O-CE 3.46Å; A336-M340 WeakPolarHBondContact O-CG 3.49Å; A336-M340 PolarHBondContact O-N 2.89Å; A337-M340 PolarHBondContact O-N 3.43Å; L338-M340 VanDerWaalsContact C-N 3.33Å; L338-M340 PolarHBondContact O-N 3.22Å
341K88.7Confident86.7Confident156 Ų15671.6 Ų71.668%0.67834%0.341SS*.Hα-helixtrans-73.8-36.6176.5-172177.2-178.9-1790112.6A337 L338 I339A337-K341 WeakPolarHBondContact O-CB 3.24Å; A337-K341 PolarHBondContact O-N 3.41Å; L338-K341 PolarHBondContact O-N 2.88Å; I339-K341 VanDerWaalsContact C-N 3.29Å; I339-K341 PolarHBondContact O-N 3.43Å
342F86.8Confident85.9Confident154 Ų15471.5 Ų71.568%0.67534%0.344SS*.Hα-helixtrans-101.7-9.9-172.8-67.3-66.8000114.9L338 I339L338-F342 HydrophobicContact CB-CD2 4.48Å; L338-F342 HydrophobicContact CD2-CE2 3.88Å; L338-F342 WeakPolarHBondContact O-CD2 3.19Å; L338-F342 PolarHBondContact O-N 2.94Å; I339-F342 PolarHBondContact O-N 3.47Å
343T82.1Confident84.9Confident46 Ų4671.5 Ų71.528%0.28234%0.344SS..SBendtrans-106.3149.8-179640000111.6L274 I339L274-T343 HydrophobicContact CD1-CG2 3.45Å; L274-T343 VanDerWaalsContact CD1-CG2 3.45Å; I339-T343 HydrophobicContact CG2-CG2 4.08Å; I339-T343 VanDerWaalsContact O-CB 3.25Å; I339-T343 WeakPolarHBondContact O-CB 3.48Å; I339-T343 VanDerWaalsContact O-CG2 3.22Å; I339-T343 WeakPolarHBondContact O-CG2 3.36Å; I339-T343 PolarHBondContact O-N 2.88Å; I339-T343 PolarHBondContact O-OG1 2.78Å
344R68.3Low83.9Confident237 Ų23769.5 Ų69.589%0.89434%0.335SS*.  trans-60.5166.7177.4-73.9-178.8169.4173.5-3.6111.8
345E71Confident82.9Confident133 Ų13368.4 Ų68.462%0.62133%0.333SS*.SBendtrans-43.7149.1175.5-66.8-106.5139.400112K242K242-E345 IonicContact NZ-OE1 2.67Å; K242-E345 PolarHBondContact NZ-OE1 2.81Å
346P72.7Confident81.8Confident41 Ų4171 Ų7127%0.26634%0.344SS..  trans-58.3150-171.426.7-34000112.2M271 R272 Q348M271-P346 HydrophobicContact CB-CB 4.22Å; M271-P346 HydrophobicContact CE-CB 4.18Å; M271-P346 HydrophobicContact CE-CG 4.19Å; R272-P346 HydrophobicContact CG-CB 3.79Å; P346-Q348 PolarHBondContact O-N 3.09Å
347K70Confident80.8Confident181 Ų18171 Ų7179%0.78734%0.344SS*.SBendtrans-65.9-24.6-177.9-74.6-168.3175.5-174.10113M271 P273M271-K347 PolarHBondContact O-N 3.39Å; P273-K347 HydrophobicContact CG-CD 4.35Å
348Q77.4Confident79.6Confident49 Ų4971.9 Ų71.923%0.22935%0.346CS..SBendtrans-153.9156.7-178.960.4-174.1-0.700108.6L270 P346 A352 A353L270-Q348 PolarHBondContact O-NE2 2.92Å; L270-Q348 VanDerWaalsContact O-NE2 3.09Å; P346-Q348 PolarHBondContact O-N 3.09Å; Q348-A352 HydrophobicContact CB-CB 4.02Å; Q348-A353 HydrophobicContact CG-CB 4.1Å
349D82.6Confident78.4Confident89 Ų8973.5 Ų73.548%0.47636%0.355SS..  trans-73.1174173.362.138.5000111.7E351 A352 A353D349-E351 VanDerWaalsContact C-N 3.25Å; D349-E351 PolarHBondContact O-N 3.48Å; D349-E351 PolarHBondContact OD1-N 3.21Å; D349-E351 VanDerWaalsContact OD1-N 3.08Å; D349-A352 VanDerWaalsContact OD1-CB 3.26Å; D349-A352 WeakPolarHBondContact OD1-CB 3.27Å; D349-A352 PolarHBondContact OD1-N 2.91Å; D349-A353 WeakPolarHBondContact O-CB 3.33Å; D349-A353 PolarHBondContact O-N 3.22Å
350L80.2Confident77Confident3 Ų375 Ų752%0.01637%0.365CS..Hα-helixtrans-66.4-30.6-178.5-173.967.4000111.8T248 P267 Y268 M271 T354 L371T248-L350 HydrophobicContact CG2-CD2 4.15Å; T248-L350 WeakPolarHBondContact OG1-CD2 3.4Å; P267-L350 HydrophobicContact CB-CD1 3.76Å; Y268-L350 HydrophobicContact CD1-CD1 4.42Å; Y268-L350 HydrophobicContact CD2-CD1 4.44Å; Y268-L350 HydrophobicContact CE1-CD1 4.23Å; Y268-L350 HydrophobicContact CE2-CD1 4.28Å; M271-L350 HydrophobicContact CE-CB 4.23Å; M271-L350 HydrophobicContact SD-CB 3.78Å; M271-L350 HydrophobicContact SD-CD1 3.54Å; M271-L350 VanDerWaalsContact SD-CD1 3.54Å; M271-L350 HydrophobicContact SD-CG 4.27Å; L350-T354 VanDerWaalsContact O-CB 3.25Å; L350-T354 WeakPolarHBondContact O-CB 3.37Å; L350-T354 PolarHBondContact O-N 3.12Å; L350-T354 PolarHBondContact O-OG1 3.46Å; L350-L371 HydrophobicContact CD2-CB 4.36Å
351E79.4Confident75.6Confident89 Ų8976.7 Ų76.742%0.41637%0.372SS..Hα-helixtrans-69.5-49.9-179.4-53-163.716500110.6D349 A353 T354 A355 V372D349-E351 VanDerWaalsContact C-N 3.25Å; D349-E351 PolarHBondContact O-N 3.48Å; D349-E351 PolarHBondContact OD1-N 3.21Å; D349-E351 VanDerWaalsContact OD1-N 3.08Å; E351-A353 PolarHBondContact O-N 3.43Å; E351-T354 PolarHBondContact O-N 2.85Å; E351-A355 WeakPolarHBondContact O-CB 3.47Å; E351-A355 PolarHBondContact O-N 2.87Å; E351-V372 HydrophobicContact CB-CG1 4.28Å; E351-V372 HydrophobicContact CG-CG1 3.66Å; E351-V372 HydrophobicContact CG-CG2 4.26Å; E351-V372 WeakPolarHBondContact OE1-CG1 3.27Å
352A80.3Confident74Confident38 Ų3872.2 Ų72.231%0.31437%0.369SS..Hα-helixtrans-61.1-42.5175.300000111.6Q348 D349 T354 A355 Q356Q348-A352 HydrophobicContact CB-CB 4.02Å; D349-A352 VanDerWaalsContact OD1-CB 3.26Å; D349-A352 WeakPolarHBondContact OD1-CB 3.27Å; D349-A352 PolarHBondContact OD1-N 2.91Å; A352-T354 PolarHBondContact O-N 2.81Å; A352-A355 PolarHBondContact O-N 3.33Å; A352-Q356 WeakPolarHBondContact O-CB 3.27Å; A352-Q356 PolarHBondContact O-N 3.17Å
353A78.1Confident72.5Confident0 Ų068 Ų680%035%0.351CS..Hα-helixtrans-63.7-40.4174.600000112.2P267 L270 M271 Q348 D349 E351 Q356 M357P267-A353 HydrophobicContact CB-CB 4.08Å; P267-A353 WeakPolarHBondContact O-CB 3.26Å; L270-A353 HydrophobicContact CB-CB 4.23Å; M271-A353 HydrophobicContact CG-CB 3.54Å; Q348-A353 HydrophobicContact CG-CB 4.1Å; D349-A353 WeakPolarHBondContact O-CB 3.33Å; D349-A353 PolarHBondContact O-N 3.22Å; E351-A353 PolarHBondContact O-N 3.43Å; A353-Q356 PolarHBondContact O-N 3.37Å; A353-M357 VanDerWaalsContact O-CB 3.23Å; A353-M357 WeakPolarHBondContact O-CB 3.37Å; A353-M357 PolarHBondContact O-N 2.97Å
354T76.8Confident71.3Confident5 Ų568.6 Ų68.63%0.03135%0.349CS..Hα-helixtrans-66.2-41.8175.8-59.30000110.8L350 E351 A352 M357 E358 A368 V372L350-T354 VanDerWaalsContact O-CB 3.25Å; L350-T354 WeakPolarHBondContact O-CB 3.37Å; L350-T354 PolarHBondContact O-N 3.12Å; L350-T354 PolarHBondContact O-OG1 3.46Å; E351-T354 PolarHBondContact O-N 2.85Å; A352-T354 PolarHBondContact O-N 2.81Å; T354-M357 WeakPolarHBondContact O-CB 3.5Å; T354-M357 PolarHBondContact O-N 3.38Å; T354-E358 WeakPolarHBondContact O-CG 3.39Å; T354-E358 PolarHBondContact O-N 3.04Å; T354-A368 HydrophobicContact CG2-CB 3.88Å; T354-V372 HydrophobicContact CG2-CG2 4.34Å
355A76.4Confident70.8Confident43 Ų4357.9 Ų57.936%0.35531%0.311SS..Hα-helixtrans-63.6-42.2175.600000112E351 A352 M357 E358 N359E351-A355 WeakPolarHBondContact O-CB 3.47Å; E351-A355 PolarHBondContact O-N 2.87Å; A352-A355 PolarHBondContact O-N 3.33Å; A355-M357 VanDerWaalsContact C-N 3.32Å; A355-M357 PolarHBondContact O-N 2.86Å; A355-E358 PolarHBondContact O-N 3.05Å; A355-N359 WeakPolarHBondContact O-CB 3.47Å; A355-N359 PolarHBondContact O-N 3.35Å; A355-N359 PolarHBondContact O-ND2 3Å
356Q75.2Confident69.9Low83 Ų8352.7 Ų52.739%0.38829%0.289SS..Hα-helixtrans-60.1-43.2173.4-175.1-173.24.100111.5A352 A353 N359 T360A352-Q356 WeakPolarHBondContact O-CB 3.27Å; A352-Q356 PolarHBondContact O-N 3.17Å; A353-Q356 PolarHBondContact O-N 3.37Å; Q356-N359 PolarHBondContact O-N 2.94Å; Q356-T360 WeakPolarHBondContact O-CB 3.35Å; Q356-T360 PolarHBondContact O-N 3.21Å; Q356-T360 PolarHBondContact O-OG1 3.26Å
357M75.7Confident69.3Low0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-60.9-50.4177.6-164.8-95.7-87.700110F194 E263 F266 P267 L270 A353 T354 A355 N359 T360 K361 A368F194-M357 HydrophobicContact CE1-CG 4.11Å; F194-M357 HydrophobicContact CE1-SD 3.7Å; F194-M357 HydrophobicContact CE2-CB 4.44Å; F194-M357 HydrophobicContact CE2-CG 3.93Å; F194-M357 WeakPolarHBondContact CE2-O 3.4Å; F194-M357 HydrophobicContact CE2-SD 4.48Å; F194-M357 HydrophobicContact CZ-CB 4.05Å; F194-M357 HydrophobicContact CZ-CG 3.24Å; F194-M357 WeakPolarHBondContact CZ-O 3.48Å; F194-M357 HydrophobicContact CZ-SD 3.31Å; F194-M357 WeakPolarHBondContact CZ-SD 3.41Å; E263-M357 VanDerWaalsContact O-CE 3.3Å; E263-M357 WeakPolarHBondContact O-CE 3.14Å; F266-M357 HydrophobicContact CB-CG 4.04Å; P267-M357 HydrophobicContact CG-CE 3.21Å; P267-M357 HydrophobicContact CG-CG 4.24Å; L270-M357 HydrophobicContact CD1-CB 3.92Å; L270-M357 HydrophobicContact CD1-CG 4.18Å; A353-M357 VanDerWaalsContact O-CB 3.23Å; A353-M357 WeakPolarHBondContact O-CB 3.37Å; A353-M357 PolarHBondContact O-N 2.97Å; T354-M357 WeakPolarHBondContact O-CB 3.5Å; T354-M357 PolarHBondContact O-N 3.38Å; A355-M357 VanDerWaalsContact C-N 3.32Å; A355-M357 PolarHBondContact O-N 2.86Å; M357-N359 PolarHBondContact O-N 3.45Å; M357-T360 PolarHBondContact O-N 3.47Å; M357-K361 WeakPolarHBondContact O-CB 3.32Å; M357-K361 PolarHBondContact O-N 3.44Å; M357-A368 HydrophobicContact CE-CB 3.55Å
358E69.9Low68.8Low32 Ų3243.4 Ų43.415%0.1525%0.247CC..Hα-helixtrans-62.9-41.3177.5-68.3-167.414800113.3T354 A355 T360 K361 G362 K363 K364 S365T354-E358 WeakPolarHBondContact O-CG 3.39Å; T354-E358 PolarHBondContact O-N 3.04Å; A355-E358 PolarHBondContact O-N 3.05Å; E358-T360 VanDerWaalsContact C-N 3.33Å; E358-T360 PolarHBondContact O-N 3.26Å; E358-K361 PolarHBondContact O-N 2.94Å; E358-G362 PolarHBondContact O-N 2.74Å; E358-K363 PolarHBondContact O-N 3.43Å; E358-K364 WeakPolarHBondContact OE1-CA 3.47Å; E358-S365 PolarHBondContact OE1-N 2.84Å
359N70.4Confident67.9Low125 Ų12541.9 Ų41.967%0.66824%0.242SC*.Hα-helixtrans-62.6-40.9176-75.3-25.5000111.7A355 Q356 M357 G362A355-N359 WeakPolarHBondContact O-CB 3.47Å; A355-N359 PolarHBondContact O-N 3.35Å; A355-N359 PolarHBondContact O-ND2 3Å; Q356-N359 PolarHBondContact O-N 2.94Å; M357-N359 PolarHBondContact O-N 3.45Å; N359-G362 PolarHBondContact O-N 3.02Å
360T65.3Low67Low53 Ų5344.3 Ų44.333%0.32525%0.248SC..Hα-helixtrans-72.1-36.7178.3-50.40000111.1Q15 F194 Q356 M357 E358 G362Q15-T360 PolarHBondContact NE2-O 3.1Å; F194-T360 HydrophobicContact CD2-CG2 3.93Å; F194-T360 HydrophobicContact CE2-CG2 4.24Å; Q356-T360 WeakPolarHBondContact O-CB 3.35Å; Q356-T360 PolarHBondContact O-N 3.21Å; Q356-T360 PolarHBondContact O-OG1 3.26Å; M357-T360 PolarHBondContact O-N 3.47Å; E358-T360 VanDerWaalsContact C-N 3.33Å; E358-T360 PolarHBondContact O-N 3.26Å; T360-G362 PolarHBondContact O-N 3.12Å
361K60.5Low66.2Low54 Ų5444.8 Ų44.824%0.23525%0.251CS..Hα-helixtrans-68.6-24.7174.5-159.7174.3-165.8160.90112.5F194 E263 M357 E358 K363F194-K361 HydrophobicContact CD1-CB 3.93Å; F194-K361 HydrophobicContact CD1-CD 3.76Å; F194-K361 HydrophobicContact CD1-CG 3.65Å; F194-K361 HydrophobicContact CD2-CB 4.15Å; F194-K361 HydrophobicContact CE1-CB 3.73Å; F194-K361 HydrophobicContact CE1-CD 3.52Å; F194-K361 HydrophobicContact CE1-CG 3.74Å; F194-K361 HydrophobicContact CE2-CB 3.98Å; F194-K361 HydrophobicContact CG-CB 4.05Å; F194-K361 HydrophobicContact CG-CG 4.07Å; F194-K361 HydrophobicContact CZ-CB 3.66Å; F194-K361 HydrophobicContact CZ-CD 4.25Å; F194-K361 HydrophobicContact CZ-CG 4.21Å; E263-K361 IonicContact OE1-NZ 2.92Å; E263-K361 PolarHBondContact OE1-NZ 2.84Å; M357-K361 WeakPolarHBondContact O-CB 3.32Å; M357-K361 PolarHBondContact O-N 3.44Å; E358-K361 PolarHBondContact O-N 2.94Å; K361-K363 PolarHBondContact O-N 2.87Å
362G53.9Low65.5Low61 Ų6142.2 Ų42.263%0.62924%0.241SC*.THydrogen-bonded Turntrans70.47.1-171.100000113.8E358 N359 T360E358-G362 PolarHBondContact O-N 2.74Å; N359-G362 PolarHBondContact O-N 3.02Å; T360-G362 PolarHBondContact O-N 3.12Å
363K56.9Low64.1Low66 Ų6644.1 Ų44.129%0.28725%0.252SS..SBendtrans-146134-178-68.3179.3-179.8162.30110E358 K361 D426 A427E358-K363 PolarHBondContact O-N 3.43Å; K361-K363 PolarHBondContact O-N 2.87Å; K363-D426 IonicContact NZ-OD2 3.25Å; K363-A427 VanDerWaalsContact NZ-CB 3.28Å
364K55.8Low62.6Low58 Ų5848.6 Ų48.625%0.25228%0.283SS..  trans-64.8135.3175.3-64.8-165.4177.41800110.7E358 D491E358-K364 WeakPolarHBondContact OE1-CA 3.47Å; K364-D491 PolarHBondContact NZ-O 2.92Å
365S57.6Low61Low13 Ų1353.8 Ų53.89%0.09131%0.311CS..  trans-92.8121.6179.81770000110E358 V367 A368 S369E358-S365 PolarHBondContact OE1-N 2.84Å; S365-V367 PolarHBondContact O-N 3.14Å; S365-A368 PolarHBondContact O-N 3.28Å; S365-S369 PolarHBondContact O-N 3.33Å; S365-S369 PolarHBondContact O-OG 3.48Å
366S53.6Low59.2Low23 Ų2359.8 Ų59.816%0.16133%0.329CS..THydrogen-bonded Turntrans-39.9-43.6174.6-68.10000117.2S369 G430 M434S366-S369 PolarHBondContact O-OG 3.11Å; S366-G430 VanDerWaalsContact OG-C 3.31Å; S366-G430 PolarHBondContact OG-O 3.46Å; S366-M434 WeakPolarHBondContact CA-SD 3.41Å; S366-M434 WeakPolarHBondContact CB-SD 3.38Å; S366-M434 WeakPolarHBondContact OG-CE 3.02Å; S366-M434 PolarHBondContact OG-SD 3.22Å
367V59.5Low57Low27 Ų2763.5 Ų63.516%0.16435%0.351CS..THydrogen-bonded Turntrans-103.3-30.8-163.4-171.50000109.5I255 I261 I264 S365 K370I255-V367 HydrophobicContact CD1-CG1 3.76Å; I255-V367 HydrophobicContact CG2-CG1 3.89Å; I261-V367 HydrophobicContact CD1-CG2 3.83Å; I264-V367 HydrophobicContact CD1-CB 4.47Å; I264-V367 HydrophobicContact CD1-CG1 3.44Å; I264-V367 VanDerWaalsContact CD1-CG1 3.44Å; I264-V367 HydrophobicContact CG1-CG1 4.39Å; S365-V367 PolarHBondContact O-N 3.14Å; V367-K370 WeakPolarHBondContact O-CB 3.48Å; V367-K370 PolarHBondContact O-N 3.19Å
368A59.5Low54.8Low0 Ų068.9 Ų68.90%038%0.384CS..THydrogen-bonded Turntrans-68.7-36.6178.100000112.1T354 M357 S365 K370 L371T354-A368 HydrophobicContact CG2-CB 3.88Å; M357-A368 HydrophobicContact CE-CB 3.55Å; S365-A368 PolarHBondContact O-N 3.28Å; A368-K370 VanDerWaalsContact C-N 3.26Å; A368-K370 PolarHBondContact O-N 3.37Å; A368-L371 HydrophobicContact CB-CD1 4.49Å; A368-L371 WeakPolarHBondContact O-CB 2.97Å; A368-L371 WeakPolarHBondContact O-CG 3.39Å; A368-L371 PolarHBondContact O-N 2.91Å
369S58.4Low52.8Low18 Ų1874.1 Ų74.113%0.12641%0.413CS..Hα-helixtrans-59.9-32.3173.754.50000113.7S365 S366 L371 V372 S373 L494S365-S369 PolarHBondContact O-N 3.33Å; S365-S369 PolarHBondContact O-OG 3.48Å; S366-S369 PolarHBondContact O-OG 3.11Å; S369-L371 PolarHBondContact O-N 2.78Å; S369-V372 PolarHBondContact O-N 2.92Å; S369-V372 VanDerWaalsContact O-N 3.14Å; S369-S373 PolarHBondContact O-N 3.3Å; S369-S373 PolarHBondContact O-OG 3.22Å; S369-S373 VanDerWaalsContact O-OG 3.06Å; S369-L494 WeakPolarHBondContact OG-CD1 3.49Å
370K64.2Low50.9Low140 Ų14074.8 Ų74.861%0.60942%0.422SS*.Hα-helixtrans-67.4-19.4173.3-72.5-173.5176.1-176.80113V367 A368 V372V367-K370 WeakPolarHBondContact O-CB 3.48Å; V367-K370 PolarHBondContact O-N 3.19Å; A368-K370 VanDerWaalsContact C-N 3.26Å; A368-K370 PolarHBondContact O-N 3.37Å; K370-V372 VanDerWaalsContact C-N 3.27Å
371L63.4Low49Very low13 Ų1380.5 Ų80.57%0.06845%0.445CS..Hα-helixtrans-72-26.3173.7-54170000111.2T248 A252 I264 Y268 L350 A368 S369T248-L371 HydrophobicContact CG2-CB 4.3Å; T248-L371 WeakPolarHBondContact CG2-O 3.24Å; A252-L371 HydrophobicContact CB-CD2 4.01Å; I264-L371 HydrophobicContact CD1-CD2 4.28Å; I264-L371 HydrophobicContact CG1-CD1 3.79Å; I264-L371 HydrophobicContact CG1-CD2 4.2Å; I264-L371 HydrophobicContact CG1-CG 4.34Å; Y268-L371 HydrophobicContact CE2-CD1 4.34Å; L350-L371 HydrophobicContact CD2-CB 4.36Å; A368-L371 HydrophobicContact CB-CD1 4.49Å; A368-L371 WeakPolarHBondContact O-CB 2.97Å; A368-L371 WeakPolarHBondContact O-CG 3.39Å; A368-L371 PolarHBondContact O-N 2.91Å; S369-L371 PolarHBondContact O-N 2.78Å
372V63.5Low47.5Very low35 Ų3585.7 Ų85.721%0.21247%0.47CS..Hα-helixtrans-95.1-31.1-174.2176.30000112.2E351 T354 S369 K370 S374E351-V372 HydrophobicContact CB-CG1 4.28Å; E351-V372 HydrophobicContact CG-CG1 3.66Å; E351-V372 HydrophobicContact CG-CG2 4.26Å; E351-V372 WeakPolarHBondContact OE1-CG1 3.27Å; T354-V372 HydrophobicContact CG2-CG2 4.34Å; S369-V372 PolarHBondContact O-N 2.92Å; S369-V372 VanDerWaalsContact O-N 3.14Å; K370-V372 VanDerWaalsContact C-N 3.27Å; V372-S374 VanDerWaalsContact C-N 3.31Å; V372-S374 PolarHBondContact O-N 3.39Å
373S51.5Low46.2Very low78 Ų7889.6 Ų89.655%0.54548%0.477SS..G310 helixtrans-80.10.3-173.438.30000116.2S369 D375S369-S373 PolarHBondContact O-N 3.3Å; S369-S373 PolarHBondContact O-OG 3.22Å; S369-S373 VanDerWaalsContact O-OG 3.06Å; S373-D375 VanDerWaalsContact C-N 3.29Å; S373-D375 PolarHBondContact O-N 3.02Å
374S46.4Very low44.9Very low94 Ų9491.3 Ų91.366%0.65750%0.503SS*.G310 helixtrans-74-10.9-178.4-64.40000115.1V372V372-S374 VanDerWaalsContact C-N 3.31Å; V372-S374 PolarHBondContact O-N 3.39Å
375D43.3Very low43.5Very low113 Ų11394.9 Ų94.960%0.60454%0.535SS*.G310 helixtrans-110.6-0.8-172.9-100.2-2.8000116T244 S373 N377T244-D375 WeakPolarHBondContact CG2-OD2 3.38Å; S373-D375 VanDerWaalsContact C-N 3.29Å; S373-D375 PolarHBondContact O-N 3.02Å; D375-N377 VanDerWaalsContact C-N 3.3Å; D375-N377 PolarHBondContact O-N 3.18Å
376K38.7Very low42.2Very low169 Ų16998 Ų9874%0.73557%0.57SS**  trans-85.819.2-173.5-70-164.7175.9-171.20116.2
377N29.9Very low40.8Very low161 Ų161104.6 Ų104.686%0.86160%0.603SS**SBendtrans-109.140.5179.9-91.10.7000113.7D375D375-N377 VanDerWaalsContact C-N 3.3Å; D375-N377 PolarHBondContact O-N 3.18Å
378V29.4Very low39.5Very low114 Ų114109.7 Ų109.769%0.69163%0.634SS**SBendtrans-152.6114.7164.2-176.70000110
379N28.1Very low38Very low142 Ų142114.7 Ų114.776%0.75967%0.669SS**  trans61.8118.4159.6-54-14.3000118.9
380T30.1Very low36.6Very low139 Ų139122.7 Ų122.785%0.85370%0.704SS**  165.6116.2103.3-52.80000109.3
381E25.2Very low34.9Very low173 Ų173123.1 Ų123.181%0.80872%0.719SS**  trans-77165.2167.5-66.4174.2148.300111.2
382E28.9Very low33.3Very low163 Ų163127.7 Ų127.776%0.76275%0.752SS**  trans95.5109.2156.6-58.6-164.4150.500120.5
383N26.9Very low31.8Very low143 Ų143131.6 Ų131.677%0.76578%0.78SS**  64.3114.4126.1-61.5-27.7000120.1
384A30Very low30.8Very low102 Ų102132.9 Ų132.984%0.84379%0.789SS**  179.5126.2106.500000112.2
385S26.2Very low30.2Very low132 Ų132135.7 Ų135.792%0.92380%0.797SS**  trans-63.6146.7167.1-60.70000112.9
386G29.7Very low29.8Very low79 Ų79138.2 Ų138.281%0.81481%0.811SS**  trans-161.399.4167.100000111.9
387N25Very low29.7Very low161 Ų161134.7 Ų134.786%0.86180%0.8SS**  trans-71.2137.4171.4-97.1-7.7000112.1
388V31.3Very low30.2Very low135 Ų135130.1 Ų130.182%0.81878%0.779SS**  trans-159.7101.4143-173.60000107
389S28.5Very low30.9Very low104 Ų104130.6 Ų130.673%0.72777%0.774SS**  66.397.790-54.10000116.6
390E28.4Very low31.4Very low187 Ų187126.8 Ų126.887%0.87476%0.762SS**  trans35.8127.4133.4-63.1177.3-176.500121.7
391T28.6Very low32.2Very low148 Ų148123.4 Ų123.491%0.90874%0.738SS**  -161.9137.2114.1-8.50000112.8
392S28.9Very low33.5Very low109 Ų109117.2 Ų117.276%0.76271%0.71SS**  trans-83.7151-173.851.40000115.7
393S33Very low34.4Very low117 Ų117116.2 Ų116.282%0.81871%0.71SS**  trans-166.2119.3137.156.40000112.3
394S30.8Very low35.8Very low105 Ų105115.6 Ų115.673%0.73471%0.707SS**  trans-31.9134.1168.351.20000117.8
395D32.4Very low37.5Very low153 Ų153113.8 Ų113.882%0.81868%0.679SS**SBend-174.1118.9126.8-86.8-21.5000109.2
396D36.4Very low40Very low166 Ų166111.2 Ų111.289%0.88866%0.655SS**  trans53.562174.8-67.8-25.6000117.6P398D396-P398 VanDerWaalsContact O-CD 3.28Å; D396-P398 WeakPolarHBondContact O-CD 3.09Å
397D36.6Very low42.5Very low96 Ų96107.8 Ų107.851%0.51362%0.618SS.*  trans-84.9116.7-171.7-154.5-15.1000114.3E399 A400D397-E399 PolarHBondContact O-N 3.05Å; D397-E399 WeakPolarHBondContact OD1-CB 3.4Å; D397-E399 WeakPolarHBondContact OD1-CG 3.24Å; D397-E399 PolarHBondContact OD1-N 3.22Å; D397-A400 PolarHBondContact O-N 3.29Å
398P40.7Very low45.2Very low65 Ų65104.4 Ų104.442%0.42260%0.597SS.*THydrogen-bonded Turntrans-57.8-22.4168.3-19.332.8000113.3D396 A400 L401 D476D396-P398 VanDerWaalsContact O-CD 3.28Å; D396-P398 WeakPolarHBondContact O-CD 3.09Å; P398-A400 VanDerWaalsContact C-N 3.3Å; P398-A400 PolarHBondContact O-N 2.96Å; P398-L401 PolarHBondContact O-N 3.3Å; P398-D476 WeakPolarHBondContact CB-OD2 3.41Å
399E43Very low47.5Very low124 Ų124101 Ų10158%0.57958%0.575SS**Hα-helixtrans-66.3-27.6-179.8-65-178.3171.800112.9D397 L401 L402 D403D397-E399 PolarHBondContact O-N 3.05Å; D397-E399 WeakPolarHBondContact OD1-CB 3.4Å; D397-E399 WeakPolarHBondContact OD1-CG 3.24Å; D397-E399 PolarHBondContact OD1-N 3.22Å; E399-L401 PolarHBondContact O-N 2.92Å; E399-L402 WeakPolarHBondContact O-CA 3.18Å; E399-L402 WeakPolarHBondContact O-CB 3.48Å; E399-L402 PolarHBondContact O-N 2.71Å; E399-D403 PolarHBondContact O-N 3Å
400A38.6Very low49.9Very low62 Ų6296.1 Ų96.151%0.51254%0.54SS..Hα-helixtrans-66.7-20.3177.900000113.9D397 P398D397-A400 PolarHBondContact O-N 3.29Å; P398-A400 VanDerWaalsContact C-N 3.3Å; P398-A400 PolarHBondContact O-N 2.96Å
401L47.1Very low52.3Low68 Ų6892.1 Ų92.136%0.35653%0.525SS..Hα-helixtrans-83.2-24.2171.1-73.2172.7000112.1P398 E399 Y405P398-L401 PolarHBondContact O-N 3.3Å; E399-L401 PolarHBondContact O-N 2.92Å; L401-Y405 WeakPolarHBondContact O-CD2 3.47Å
402L53.1Low54.7Low42 Ų4287.6 Ų87.622%0.2250%0.502CS..Hα-helixtrans-73.5-34.5176.4-69.2170.8000111.2E399 N404 Y405 T407 T475 D476 I479E399-L402 WeakPolarHBondContact O-CA 3.18Å; E399-L402 WeakPolarHBondContact O-CB 3.48Å; E399-L402 PolarHBondContact O-N 2.71Å; L402-N404 PolarHBondContact O-N 2.82Å; L402-N404 VanDerWaalsContact O-N 3.13Å; L402-Y405 CarbonylContact O-C 3.41Å; L402-Y405 PolarHBondContact O-N 3.03Å; L402-T407 HydrophobicContact CD2-CG2 4.39Å; L402-T475 HydrophobicContact CD2-CG2 3.81Å; L402-D476 WeakPolarHBondContact CD1-OD1 3.38Å; L402-D476 WeakPolarHBondContact CD2-OD1 2.99Å; L402-D476 WeakPolarHBondContact CG-OD1 3.44Å; L402-I479 HydrophobicContact CD2-CD1 4.07Å
403D48.5Very low57.2Low142 Ų14284.3 Ų84.376%0.75948%0.475SS*.THydrogen-bonded Turntrans-62.1-24.2179.7-72.1-17.4000113.9E399 Y405E399-D403 PolarHBondContact O-N 3Å; D403-Y405 VanDerWaalsContact C-N 3.34Å
404N54.2Low59.4Low131 Ų13184 Ų8470%0.70146%0.464SS*.THydrogen-bonded Turntrans-80.6-14.1175.7-72.6-32.1000113.8L402L402-N404 PolarHBondContact O-N 2.82Å; L402-N404 VanDerWaalsContact O-N 3.13Å
405Y66.2Low61.9Low63 Ų6379.2 Ų79.225%0.24743%0.43CS..SBendtrans-121.6114.6179.7-69.1-92.8000107.8L401 L402 D403 T407 I479 P483L401-Y405 WeakPolarHBondContact O-CD2 3.47Å; L402-Y405 CarbonylContact O-C 3.41Å; L402-Y405 PolarHBondContact O-N 3.03Å; D403-Y405 VanDerWaalsContact C-N 3.34Å; Y405-T407 WeakPolarHBondContact O-CG2 3.27Å; Y405-T407 PolarHBondContact O-N 2.63Å; Y405-I479 HydrophobicContact CD2-CD1 3.83Å; Y405-I479 HydrophobicContact CD2-CG1 4.37Å; Y405-I479 HydrophobicContact CD2-CG2 3.94Å; Y405-I479 HydrophobicContact CE1-CG2 4.47Å; Y405-I479 HydrophobicContact CE2-CD1 4.41Å; Y405-I479 HydrophobicContact CE2-CG2 3.4Å; Y405-I479 VanDerWaalsContact CE2-CG2 3.4Å; Y405-I479 HydrophobicContact CG-CD1 3.97Å; Y405-I479 HydrophobicContact CG-CG1 4.43Å; Y405-P483 WeakPolarHBondContact CE1-O 3.36Å; Y405-P483 PolarHBondContact OH-O 3.49Å
406N79.1Confident63.8Low78 Ų7876.1 Ų76.142%0.41741%0.413SS..  trans-72.163.9178.3-157.6-2.9000111.1E408 D409 A412 H413N406-E408 PolarHBondContact O-N 2.78Å; N406-D409 HydrophobicContact CB-CB 4.46Å; N406-D409 VanDerWaalsContact ND2-CB 3.31Å; N406-D409 WeakPolarHBondContact ND2-CB 3.16Å; N406-D409 PolarHBondContact ND2-OD2 3Å; N406-D409 PolarHBondContact O-N 3.09Å; N406-D409 VanDerWaalsContact O-O 3.13Å; N406-D409 WeakPolarHBondContact OD1-CB 3.29Å; N406-A412 HydrophobicContact CB-CB 3.93Å; N406-A412 WeakPolarHBondContact ND2-CB 3.32Å; N406-H413 PolarHBondContact O-CE1 3.48Å; N406-H413 PolarHBondContact O-NE2 2.92Å
407T83.1Confident65.7Low8 Ų875 Ų755%0.04941%0.407CS..  trans-72.9-14.4-166.560.40000113.4L402 Y405 T475 I479 H487 S489L402-T407 HydrophobicContact CD2-CG2 4.39Å; Y405-T407 WeakPolarHBondContact O-CG2 3.27Å; Y405-T407 PolarHBondContact O-N 2.63Å; T407-T475 HydrophobicContact CG2-CG2 3.85Å; T407-I479 HydrophobicContact CG2-CD1 4.27Å; T407-H487 VanDerWaalsContact CA-O 3.25Å; T407-H487 WeakPolarHBondContact CA-O 3.34Å; T407-H487 HydrophobicContact CG2-CB 3.97Å; T407-S489 WeakPolarHBondContact CB-OG 3.42Å; T407-S489 PolarHBondContact O-N 2.81Å; T407-S489 PolarHBondContact OG1-OG 3.36Å
408E80.2Confident68Low89 Ų8971.2 Ų71.242%0.41639%0.387SS..SBendtrans-99.5-22.8-177.7-65.8-140.1-168.800113.8N406 K472 R498N406-E408 PolarHBondContact O-N 2.78Å; E408-K472 WeakPolarHBondContact OE1-CE 3.08Å; E408-K472 IonicContact OE1-NZ 3.66Å; E408-K472 PolarHBondContact OE1-NZ 3.08Å; E408-K472 WeakPolarHBondContact OE2-CE 3.2Å; E408-K472 IonicContact OE2-NZ 3.98Å; E408-K472 PolarHBondContact OE2-NZ 2.98Å; E408-R498 VanDerWaalsContact CA-CZ 3.4Å; E408-R498 VanDerWaalsContact CA-NH2 3.31Å; E408-R498 VanDerWaalsContact O-CZ 3.25Å; E408-R498 PolarHBondContact O-NE 3.49Å; E408-R498 VanDerWaalsContact O-NE 3.15Å; E408-R498 PolarHBondContact O-NH2 3.35Å; E408-R498 VanDerWaalsContact O-NH2 3.14Å; E408-R498 IonicContact OE2-CZ 3.63Å; E408-R498 IonicContact OE2-NH1 3.94Å; E408-R498 IonicContact OE2-NH2 2.7Å; E408-R498 PolarHBondContact OE2-NH2 3.26Å
409D81.5Confident70.2Confident65 Ų6572.5 Ų72.535%0.34839%0.39SS..  trans-100.4105.1177.8-173.6-7.3000109.4N406 D411 A412 H413N406-D409 HydrophobicContact CB-CB 4.46Å; N406-D409 VanDerWaalsContact ND2-CB 3.31Å; N406-D409 WeakPolarHBondContact ND2-CB 3.16Å; N406-D409 PolarHBondContact ND2-OD2 3Å; N406-D409 PolarHBondContact O-N 3.09Å; N406-D409 VanDerWaalsContact O-O 3.13Å; N406-D409 WeakPolarHBondContact OD1-CB 3.29Å; D409-D411 PolarHBondContact O-N 3.44Å; D409-D411 PolarHBondContact OD1-N 2.87Å; D409-A412 HydrophobicContact CB-CB 4.03Å; D409-A412 PolarHBondContact OD1-N 2.91Å; D409-H413 PolarHBondContact O-CD2 3.1Å; D409-H413 VanDerWaalsContact O-CD2 3.22Å; D409-H413 PolarHBondContact O-NE2 3.23Å
410V78.3Confident72.5Confident0 Ų068.8 Ų68.80%037%0.373CS..G310 helixtrans-70.5-25.9178.6-174.40000110.5A412 Y415 I488 R498 E501 L502 N505V410-A412 VanDerWaalsContact C-N 3.31Å; V410-A412 PolarHBondContact O-N 3.35Å; V410-Y415 HydrophobicContact CG1-CE2 4.49Å; V410-Y415 VanDerWaalsContact CG1-OH 3.25Å; V410-Y415 WeakPolarHBondContact CG1-OH 3.24Å; V410-Y415 WeakPolarHBondContact O-CE2 3.23Å; V410-Y415 PolarHBondContact O-OH 2.89Å; V410-I488 HydrophobicContact CG2-CD1 4.29Å; V410-I488 HydrophobicContact CG2-CG2 4.25Å; V410-R498 HydrophobicContact CG2-CB 3.7Å; V410-R498 HydrophobicContact CG2-CG 3.76Å; V410-E501 HydrophobicContact CB-CB 3.88Å; V410-E501 HydrophobicContact CG1-CB 3.88Å; V410-E501 HydrophobicContact CG2-CB 4.18Å; V410-E501 WeakPolarHBondContact CG2-OE2 3.38Å; V410-L502 HydrophobicContact CG1-CB 4.06Å; V410-L502 HydrophobicContact CG1-CD1 4.35Å; V410-N505 PolarHBondContact O-ND2 3.4Å
411D78.9Confident75.1Confident104 Ų10465.9 Ų65.956%0.55635%0.348SS*.G310 helixtrans-82-12.3-175.7-65-29.6000112.8D409 H413 N505D409-D411 PolarHBondContact O-N 3.44Å; D409-D411 PolarHBondContact OD1-N 2.87Å; D411-H413 VanDerWaalsContact C-N 3.3Å; D411-H413 PolarHBondContact O-N 3.34Å; D411-N505 PolarHBondContact OD1-ND2 2.96Å; D411-N505 PolarHBondContact OD1-OD1 3.45Å
412A78.4Confident77.4Confident52 Ų5262.7 Ų62.743%0.4333%0.332SS..G310 helixtrans-77.3-8.8-179.100000115.1N406 D409 V410N406-A412 HydrophobicContact CB-CB 3.93Å; N406-A412 WeakPolarHBondContact ND2-CB 3.32Å; D409-A412 HydrophobicContact CB-CB 4.03Å; D409-A412 PolarHBondContact OD1-N 2.91Å; V410-A412 VanDerWaalsContact C-N 3.31Å; V410-A412 PolarHBondContact O-N 3.35Å
413H81.3Confident79.3Confident41 Ų4160.7 Ų60.719%0.1932%0.321CS..SBendtrans-105.1148.1-173.9-57-77.8000112.1N406 D409 D411 Y415 I486N406-H413 PolarHBondContact O-CE1 3.48Å; N406-H413 PolarHBondContact O-NE2 2.92Å; D409-H413 PolarHBondContact O-CD2 3.1Å; D409-H413 VanDerWaalsContact O-CD2 3.22Å; D409-H413 PolarHBondContact O-NE2 3.23Å; D411-H413 VanDerWaalsContact C-N 3.3Å; D411-H413 PolarHBondContact O-N 3.34Å; H413-Y415 HydrophobicContact CB-CE1 4.4Å; H413-Y415 HydrophobicContact CB-CE2 3.89Å; H413-Y415 WeakPolarHBondContact O-CD2 3.32Å; H413-Y415 WeakPolarHBondContact O-CE2 3.42Å; H413-I486 HydrophobicContact CB-CD1 4.15Å; H413-I486 HydrophobicContact CB-CG1 4.35Å; H413-I486 HydrophobicContact CB-CG2 3.92Å
414N79.8Confident81.4Confident109 Ų10954 Ų5458%0.58329%0.285SS*.  trans-89.2114.7169.8-176.4-8.2000109.2N416 I486N414-N416 VanDerWaalsContact C-N 3.34Å; N414-N416 WeakPolarHBondContact OD1-CB 3.31Å; N414-N416 PolarHBondContact OD1-N 3.45Å; N414-N416 PolarHBondContact OD1-ND2 3.39Å; N414-I486 WeakPolarHBondContact O-CD1 3.32Å
415Y82.7Confident83.1Confident6 Ų648.1 Ų48.12%0.02426%0.255CS..  trans-90.23.5-176.8-65-87000114.1V410 H413 N417 I418 L467 I486 L502 N505 L506 D509V410-Y415 HydrophobicContact CG1-CE2 4.49Å; V410-Y415 VanDerWaalsContact CG1-OH 3.25Å; V410-Y415 WeakPolarHBondContact CG1-OH 3.24Å; V410-Y415 WeakPolarHBondContact O-CE2 3.23Å; V410-Y415 PolarHBondContact O-OH 2.89Å; H413-Y415 HydrophobicContact CB-CE1 4.4Å; H413-Y415 HydrophobicContact CB-CE2 3.89Å; H413-Y415 WeakPolarHBondContact O-CD2 3.32Å; H413-Y415 WeakPolarHBondContact O-CE2 3.42Å; Y415-N417 PolarHBondContact O-N 3.38Å; Y415-I418 HydrophobicContact CD1-CD1 3.31Å; Y415-I418 HydrophobicContact CE1-CD1 4.21Å; Y415-I418 HydrophobicContact CG-CD1 3.96Å; Y415-I418 WeakPolarHBondContact O-CG1 3.28Å; Y415-I418 PolarHBondContact O-N 3.48Å; Y415-I418 VanDerWaalsContact O-N 3.14Å; Y415-L467 HydrophobicContact CD1-CD2 4.4Å; Y415-L467 HydrophobicContact CE1-CD1 4.27Å; Y415-L467 HydrophobicContact CE1-CD2 4.18Å; Y415-I486 HydrophobicContact CE1-CG2 4.49Å; Y415-L502 HydrophobicContact CD1-CD1 3.79Å; Y415-L502 HydrophobicContact CE1-CD1 3.28Å; Y415-N505 HydrophobicContact CD2-CB 3.75Å; Y415-N505 HydrophobicContact CE2-CB 3.9Å; Y415-L506 HydrophobicContact CD1-CD2 4.08Å; Y415-L506 HydrophobicContact CG-CD2 4.13Å; Y415-D509 WeakPolarHBondContact CB-OD2 3.34Å
416N71.8Confident83.7Confident88 Ų8848.2 Ų48.247%0.47126%0.259SS..THydrogen-bonded Turntrans-55.5127.4176.8-75.4-50.7000111.2N414N414-N416 VanDerWaalsContact C-N 3.34Å; N414-N416 WeakPolarHBondContact OD1-CB 3.31Å; N414-N416 PolarHBondContact OD1-N 3.45Å; N414-N416 PolarHBondContact OD1-ND2 3.39Å
417N76.7Confident83.6Confident143 Ų14346 Ų4677%0.76525%0.252SS*.THydrogen-bonded Turntrans78.711.3-177.9-47.2-58000117.2Y415 N419 Q466Y415-N417 PolarHBondContact O-N 3.38Å; N417-N419 PolarHBondContact O-N 3.01Å; N417-Q466 PolarHBondContact O-NE2 3.38Å; N417-Q466 PolarHBondContact O-OE1 3.44Å
418I84.7Confident82.9Confident15 Ų1545.9 Ų45.98%0.07725%0.252CS..  trans-77.7111174.8-66.3165.5000110.5Y415 V421 Q466 L467 I486 L506Y415-I418 HydrophobicContact CD1-CD1 3.31Å; Y415-I418 HydrophobicContact CE1-CD1 4.21Å; Y415-I418 HydrophobicContact CG-CD1 3.96Å; Y415-I418 WeakPolarHBondContact O-CG1 3.28Å; Y415-I418 PolarHBondContact O-N 3.48Å; Y415-I418 VanDerWaalsContact O-N 3.14Å; I418-V421 HydrophobicContact CG2-CG2 4.25Å; I418-Q466 HydrophobicContact CG1-CB 4.25Å; I418-L467 HydrophobicContact CD1-CB 4.2Å; I418-L467 HydrophobicContact CD1-CD2 4.37Å; I418-L467 HydrophobicContact CG2-CB 4.11Å; I418-L467 HydrophobicContact CG2-CD2 4.38Å; I418-I486 HydrophobicContact CD1-CD1 3.85Å; I418-L506 HydrophobicContact CB-CD2 4.39Å
419N88.2Confident82.4Confident92 Ų9246.2 Ų46.249%0.49226%0.255SS..  trans-109.6-6.8172.565.222.5000112.3N417 T452 Q466N417-N419 PolarHBondContact O-N 3.01Å; N419-T452 PolarHBondContact O-N 3.2Å; N419-T452 PolarHBondContact O-OG1 2.96Å; N419-Q466 PolarHBondContact OD1-OE1 2.93Å
420H91.2Very high82.1Confident47 Ų4744.5 Ų44.522%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-142.8117.8-175.6-168.5-157000113.2T452 T454H420-T452 CarbonylContact C-O 3.57Å; H420-T452 WeakPolarHBondContact CA-O 3.46Å; H420-T452 PolarHBondContact CD2-O 2.98Å; H420-T452 PolarHBondContact CD2-OG1 2.79Å; H420-T454 VanDerWaalsContact NE2-CG2 3.29Å; H420-T454 WeakPolarHBondContact NE2-CG2 3.13Å; H420-T454 PolarHBondContact NE2-OG1 3.33Å
421V93Very high82.1Confident0 Ų044.9 Ų44.90%026%0.255CS..EExtended strand (participates in β ladder)trans-104.9126.9173.5-1720000109.7I418 F423 L439 F443 I451 T452 V453 T454 L467 I469I418-V421 HydrophobicContact CG2-CG2 4.25Å; V421-F423 HydrophobicContact CG1-CE2 4.36Å; V421-L439 HydrophobicContact CG1-CD2 4Å; V421-F443 HydrophobicContact CG2-CE2 4.23Å; V421-I451 HydrophobicContact CG2-CG2 3.68Å; V421-T452 PolarHBondContact N-O 3.47Å; V421-V453 HydrophobicContact CB-CG1 4.39Å; V421-V453 HydrophobicContact CB-CG2 4.29Å; V421-V453 WeakPolarHBondContact O-CA 3.33Å; V421-T454 PolarHBondContact O-N 2.85Å; V421-L467 HydrophobicContact CB-CD2 4.42Å; V421-L467 HydrophobicContact CG1-CD2 3.94Å; V421-L467 HydrophobicContact CG1-CG 4.16Å; V421-L467 HydrophobicContact CG2-CD2 3.86Å; V421-I469 HydrophobicContact CG1-CD1 3.66Å; V421-I469 HydrophobicContact CG1-CG1 4.07Å
422I93.8Very high82.3Confident2 Ų239.9 Ų39.91%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-118.1117.6-176.4-51.8-179.5000111A424 T456 L461 P462 A465 L467 V468 I469I422-A424 PolarHBondContact O-N 3.4Å; I422-T456 HydrophobicContact CG2-CG2 3.47Å; I422-T456 VanDerWaalsContact CG2-CG2 3.47Å; I422-L461 HydrophobicContact CB-CD2 4.34Å; I422-L461 HydrophobicContact CD1-CD2 4.44Å; I422-L461 HydrophobicContact CG2-CD2 3.78Å; I422-P462 HydrophobicContact CD1-CG 3.56Å; I422-A465 HydrophobicContact CD1-CB 3.9Å; I422-L467 PolarHBondContact N-O 2.72Å; I422-V468 CarbonylContact O-C 3.59Å; I422-V468 WeakPolarHBondContact O-CA 3.47Å; I422-I469 PolarHBondContact O-N 3.48Å
423F94.8Very high82.5Confident0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-82.6112.1168.5-77.3-103.2000110.3V421 S432 A436 L439 V453 T454 N455 T456 I469 F493 Y499V421-F423 HydrophobicContact CG1-CE2 4.36Å; F423-S432 WeakPolarHBondContact CB-O 3.2Å; F423-A436 HydrophobicContact CB-CB 4.27Å; F423-A436 VanDerWaalsContact CD2-CA 3.47Å; F423-A436 HydrophobicContact CD2-CB 3.66Å; F423-A436 HydrophobicContact CE2-CB 4.27Å; F423-A436 HydrophobicContact CG-CB 4.06Å; F423-L439 HydrophobicContact CE2-CB 3.99Å; F423-L439 HydrophobicContact CE2-CD2 3.65Å; F423-L439 HydrophobicContact CE2-CG 4.47Å; F423-L439 HydrophobicContact CZ-CB 3.98Å; F423-L439 HydrophobicContact CZ-CD2 3.91Å; F423-V453 HydrophobicContact CD2-CG1 3.93Å; F423-V453 HydrophobicContact CE2-CG1 3.73Å; F423-T454 PolarHBondContact N-O 3.26Å; F423-N455 HydrophobicContact CB-CB 4.1Å; F423-N455 CarbonylContact O-C 3.59Å; F423-N455 WeakPolarHBondContact O-CA 3.38Å; F423-N455 WeakPolarHBondContact O-CB 3.36Å; F423-T456 PolarHBondContact O-N 3.14Å; F423-I469 WeakPolarHBondContact CA-O 3.41Å; F423-I469 HydrophobicContact CD1-CB 4.15Å; F423-I469 HydrophobicContact CD1-CG2 4.11Å; F423-I469 HydrophobicContact CE1-CB 4.16Å; F423-I469 HydrophobicContact CE1-CD1 4.19Å; F423-I469 HydrophobicContact CE1-CG2 3.85Å; F423-I469 HydrophobicContact CE2-CD1 3.87Å; F423-I469 HydrophobicContact CG-CB 4.41Å; F423-I469 HydrophobicContact CZ-CB 4.44Å; F423-I469 HydrophobicContact CZ-CD1 3.67Å; F423-I469 HydrophobicContact CZ-CG2 4.39Å; F423-F493 AromaticContact CD1-CD1 3.43Å; F423-F493 HydrophobicContact CD1-CD1 3.43Å; F423-F493 VanDerWaalsContact CD1-CD1 3.43Å; F423-F493 AromaticContact CD1-CE1 3.69Å; F423-F493 HydrophobicContact CD1-CE1 3.69Å; F423-F493 HydrophobicContact CD1-CG 4.38Å; F423-F493 AromaticContact CE1-CD1 3.82Å; F423-F493 HydrophobicContact CE1-CD1 3.82Å; F423-F493 HydrophobicContact CE1-CE1 4.38Å; F423-Y499 HydrophobicContact CE1-CE1 4.07Å; F423-Y499 WeakPolarHBondContact CE1-OH 3.26Å; F423-Y499 HydrophobicContact CZ-CE1 4.06Å
424A91.3Very high82.6Confident0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-107.3130.8-178.700000112.8I422 T456 I458 L461 V468 I469 T470 F493I422-A424 PolarHBondContact O-N 3.4Å; A424-T456 WeakPolarHBondContact CA-O 3.15Å; A424-I458 HydrophobicContact CB-CG1 3.88Å; A424-L461 HydrophobicContact CB-CD1 3.94Å; A424-L461 HydrophobicContact CB-CD2 3.92Å; A424-L461 HydrophobicContact CB-CG 4.03Å; A424-V468 HydrophobicContact CB-CG1 3.88Å; A424-I469 PolarHBondContact N-O 2.83Å; A424-T470 HydrophobicContact CB-CG2 3.89Å; A424-F493 WeakPolarHBondContact O-CZ 3.26Å
425C90.9Very high82.9Confident8 Ų833.2 Ų33.25%0.05419%0.19CC..EExtended strand (participates in β ladder)trans-136.6177.2169.678.90000110.3A427 G428 S432 T456 A457 I458 L474 F493C425-A427 VanDerWaalsContact C-N 3.32Å; C425-A427 PolarHBondContact O-N 3.1Å; C425-G428 PolarHBondContact O-N 3.41Å; C425-G428 PolarHBondContact SG-N 3.22Å; C425-S432 PolarHBondContact SG-OG 2.98Å; C425-T456 PolarHBondContact N-O 3.42Å; C425-A457 CarbonylContact O-C 3.29Å; C425-A457 WeakPolarHBondContact O-CA 3.47Å; C425-I458 PolarHBondContact O-N 3.35Å; C425-L474 HydrophobicContact CB-CD1 4.39Å; C425-F493 HydrophobicContact CB-CE2 4.15Å
426D79.3Confident83.3Confident65 Ų6532.9 Ų32.935%0.34819%0.189SC..SBendtrans-61.8-35.2-173.7-172.234.5000114.2K363 R477K363-D426 IonicContact NZ-OD2 3.25Å; D426-R477 IonicContact OD1-CZ 3.75Å; D426-R477 IonicContact OD1-NH1 2.81Å; D426-R477 PolarHBondContact OD1-NH1 2.88Å; D426-R477 IonicContact OD1-NH2 3.08Å; D426-R477 PolarHBondContact OD1-NH2 2.74Å; D426-R477 VanDerWaalsContact OD1-NH2 3.09Å
427A76.1Confident84Confident31 Ų3131.3 Ų31.326%0.25619%0.185SC..SBendtrans-108.4-5.7179.400000115K363 C425 M429K363-A427 VanDerWaalsContact NZ-CB 3.28Å; C425-A427 VanDerWaalsContact C-N 3.32Å; C425-A427 PolarHBondContact O-N 3.1Å; A427-M429 PolarHBondContact O-N 3.28Å; A427-M429 VanDerWaalsContact O-N 3.13Å
428G67.4Low84.5Confident6 Ų627.2 Ų27.26%0.06216%0.161CC..SBendtrans68.71.4-175.100000116.2C425 N455 T456 A457C425-G428 PolarHBondContact O-N 3.41Å; C425-G428 PolarHBondContact SG-N 3.22Å; G428-N455 PolarHBondContact O-ND2 3.4Å; G428-T456 VanDerWaalsContact CA-O 3.27Å; G428-T456 WeakPolarHBondContact CA-O 3.25Å; G428-A457 VanDerWaalsContact CA-N 3.29Å
429M71.5Confident84.7Confident97 Ų9726.5 Ų26.548%0.47816%0.158SC..SBendtrans-124.6157.7179.7-64.4-175.2-78.100111.3M26 A427M26-M429 HydrophobicContact CB-CE 4Å; M26-M429 HydrophobicContact SD-CE 4.42Å; A427-M429 PolarHBondContact O-N 3.28Å; A427-M429 VanDerWaalsContact O-N 3.13Å
430G73.5Confident84.8Confident28 Ų2827.9 Ų27.929%0.28916%0.156SC..SBendtrans92.3-112.3177.600000113.5S366 S432 A433 M434S366-G430 VanDerWaalsContact OG-C 3.31Å; S366-G430 PolarHBondContact OG-O 3.46Å; G430-S432 PolarHBondContact O-N 2.85Å; G430-A433 PolarHBondContact O-N 2.69Å; G430-M434 PolarHBondContact O-N 3.37Å
431S78.2Confident84.6Confident8 Ų830.3 Ų30.36%0.05617%0.171CC..Hα-helixtrans-62-40.7-173.560.60000114.1M434 G435 F493S431-M434 VanDerWaalsContact CA-CE 3.5Å; S431-G435 PolarHBondContact O-N 3.49Å; S431-F493 WeakPolarHBondContact O-CB 3.4Å; S431-F493 WeakPolarHBondContact OG-CD2 3.45Å
432S83.2Confident84.4Confident0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-65.8-38.217752.60000112.1F423 C425 G430 G435 A436F423-S432 WeakPolarHBondContact CB-O 3.2Å; C425-S432 PolarHBondContact SG-OG 2.98Å; G430-S432 PolarHBondContact O-N 2.85Å; S432-G435 PolarHBondContact O-N 2.86Å; S432-A436 WeakPolarHBondContact O-CB 3.41Å; S432-A436 PolarHBondContact O-N 3.22Å
433A83.7Confident84.1Confident27 Ų2733.7 Ų33.722%0.22319%0.185CC..Hα-helixtrans-64.7-40.2-179.400000112.8G430 S437G430-A433 PolarHBondContact O-N 2.69Å; A433-S437 WeakPolarHBondContact O-CB 3.36Å; A433-S437 PolarHBondContact O-N 3.19Å; A433-S437 PolarHBondContact O-OG 3.28Å
434M83.7Confident83.8Confident34 Ų3441.3 Ų41.317%0.16722%0.218CC..Hα-helixtrans-80.5-29.9173.8-33.2152.7-75.300112.7S366 G430 S431 A436 S437 M438 L494S366-M434 WeakPolarHBondContact CA-SD 3.41Å; S366-M434 WeakPolarHBondContact CB-SD 3.38Å; S366-M434 WeakPolarHBondContact OG-CE 3.02Å; S366-M434 PolarHBondContact OG-SD 3.22Å; G430-M434 PolarHBondContact O-N 3.37Å; S431-M434 VanDerWaalsContact CA-CE 3.5Å; M434-A436 VanDerWaalsContact C-N 3.29Å; M434-A436 PolarHBondContact O-N 3Å; M434-S437 PolarHBondContact O-N 3.05Å; M434-S437 VanDerWaalsContact O-N 3.13Å; M434-M438 WeakPolarHBondContact O-CB 3.48Å; M434-M438 VanDerWaalsContact O-CG 3.3Å; M434-M438 WeakPolarHBondContact O-CG 3.46Å; M434-M438 PolarHBondContact O-N 2.99Å; M434-L494 HydrophobicContact CB-CD2 4.1Å; M434-L494 HydrophobicContact CE-CD1 4.02Å; M434-L494 HydrophobicContact CE-CD2 3.4Å; M434-L494 HydrophobicContact CE-CG 3.92Å; M434-L494 HydrophobicContact SD-CD2 3.78Å
435G85.9Confident83.6Confident0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-53.5-50.9169.700000110.8S431 S432 S437 M438 L439S431-G435 PolarHBondContact O-N 3.49Å; S432-G435 PolarHBondContact O-N 2.86Å; G435-S437 VanDerWaalsContact C-N 3.35Å; G435-S437 PolarHBondContact O-N 3.48Å; G435-M438 PolarHBondContact O-N 2.98Å; G435-L439 PolarHBondContact O-N 3.35Å
436A89.7Confident83.4Confident0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-57.5-44.5172.700000112.6F423 S432 M434 M438 L439 R440 V453 N455F423-A436 HydrophobicContact CB-CB 4.27Å; F423-A436 VanDerWaalsContact CD2-CA 3.47Å; F423-A436 HydrophobicContact CD2-CB 3.66Å; F423-A436 HydrophobicContact CE2-CB 4.27Å; F423-A436 HydrophobicContact CG-CB 4.06Å; S432-A436 WeakPolarHBondContact O-CB 3.41Å; S432-A436 PolarHBondContact O-N 3.22Å; M434-A436 VanDerWaalsContact C-N 3.29Å; M434-A436 PolarHBondContact O-N 3Å; A436-M438 PolarHBondContact O-N 3.37Å; A436-L439 PolarHBondContact O-N 3.4Å; A436-R440 WeakPolarHBondContact O-CB 3.08Å; A436-R440 PolarHBondContact O-N 3.37Å; A436-V453 HydrophobicContact CB-CG1 3.92Å; A436-V453 WeakPolarHBondContact O-CG1 3.42Å; A436-N455 HydrophobicContact CB-CB 4.17Å
437S87.6Confident83.7Confident55 Ų5550.7 Ų50.739%0.38528%0.275SS..Hα-helixtrans-65.6-38.8-179.9-57.50000112.8A433 M434 G435 N441A433-S437 WeakPolarHBondContact O-CB 3.36Å; A433-S437 PolarHBondContact O-N 3.19Å; A433-S437 PolarHBondContact O-OG 3.28Å; M434-S437 PolarHBondContact O-N 3.05Å; M434-S437 VanDerWaalsContact O-N 3.13Å; G435-S437 VanDerWaalsContact C-N 3.35Å; G435-S437 PolarHBondContact O-N 3.48Å; S437-N441 WeakPolarHBondContact O-CB 3.38Å; S437-N441 VanDerWaalsContact O-CG 3.25Å; S437-N441 PolarHBondContact O-N 3.16Å; S437-N441 PolarHBondContact O-ND2 3.38Å
438M86.8Confident84Confident56 Ų5649.5 Ų49.528%0.27626%0.264SS..Hα-helixtrans-70-44.8177.2-74.4-168.8-44.900111.9M434 G435 A436 R440 N441 K442 F493 L494 Y499M434-M438 WeakPolarHBondContact O-CB 3.48Å; M434-M438 VanDerWaalsContact O-CG 3.3Å; M434-M438 WeakPolarHBondContact O-CG 3.46Å; M434-M438 PolarHBondContact O-N 2.99Å; G435-M438 PolarHBondContact O-N 2.98Å; A436-M438 PolarHBondContact O-N 3.37Å; M438-R440 VanDerWaalsContact C-N 3.32Å; M438-N441 WeakPolarHBondContact O-CB 3.27Å; M438-N441 PolarHBondContact O-N 3.4Å; M438-K442 PolarHBondContact O-N 3.02Å; M438-F493 WeakPolarHBondContact CE-O 3.37Å; M438-L494 HydrophobicContact CE-CB 4.42Å; M438-L494 HydrophobicContact CE-CD2 3.94Å; M438-L494 VanDerWaalsContact CE-O 3.25Å; M438-L494 WeakPolarHBondContact CE-O 2.93Å; M438-L494 HydrophobicContact SD-CD2 4.1Å; M438-Y499 HydrophobicContact CE-CE2 4.31Å
439L89.1Confident84.7Confident0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-63.1-42.4176.4-171.768.6000110.3V421 F423 G435 A436 N441 K442 F443 V453 I469 Y499 L502V421-L439 HydrophobicContact CG1-CD2 4Å; F423-L439 HydrophobicContact CE2-CB 3.99Å; F423-L439 HydrophobicContact CE2-CD2 3.65Å; F423-L439 HydrophobicContact CE2-CG 4.47Å; F423-L439 HydrophobicContact CZ-CB 3.98Å; F423-L439 HydrophobicContact CZ-CD2 3.91Å; G435-L439 PolarHBondContact O-N 3.35Å; A436-L439 PolarHBondContact O-N 3.4Å; L439-N441 VanDerWaalsContact C-N 3.29Å; L439-N441 PolarHBondContact O-N 3.49Å; L439-K442 CarbonylContact O-C 3.3Å; L439-K442 WeakPolarHBondContact O-CA 3.37Å; L439-K442 WeakPolarHBondContact O-CB 3.35Å; L439-K442 PolarHBondContact O-N 2.92Å; L439-F443 HydrophobicContact CD1-CD1 4.06Å; L439-F443 HydrophobicContact CD1-CE1 3.51Å; L439-F443 HydrophobicContact CD1-CZ 3.99Å; L439-F443 HydrophobicContact CD2-CE1 4.15Å; L439-F443 HydrophobicContact CD2-CE2 4.21Å; L439-F443 HydrophobicContact CD2-CZ 3.74Å; L439-F443 HydrophobicContact CG-CD1 4.09Å; L439-F443 HydrophobicContact CG-CE1 3.68Å; L439-F443 HydrophobicContact CG-CE2 4.23Å; L439-F443 HydrophobicContact CG-CZ 3.75Å; L439-F443 WeakPolarHBondContact O-CB 3.45Å; L439-F443 WeakPolarHBondContact O-CG 3.28Å; L439-F443 PolarHBondContact O-N 3.36Å; L439-V453 HydrophobicContact CB-CG1 4.28Å; L439-V453 HydrophobicContact CD2-CG1 4.14Å; L439-V453 HydrophobicContact CD2-CG2 4.32Å; L439-I469 HydrophobicContact CD2-CD1 4.19Å; L439-Y499 HydrophobicContact CD1-CD1 4.47Å; L439-Y499 HydrophobicContact CD1-CG 4.41Å; L439-L502 HydrophobicContact CD2-CD2 4.11Å
440R90.1Very high85.3Confident122 Ų12256.5 Ų56.546%0.4630%0.302SS..Hα-helixtrans-56.7-41.7172.5-165.5-175.1-52.1-177.85.5112.4A436 M438 K444 V453A436-R440 WeakPolarHBondContact O-CB 3.08Å; A436-R440 PolarHBondContact O-N 3.37Å; M438-R440 VanDerWaalsContact C-N 3.32Å; R440-K444 WeakPolarHBondContact O-CB 3.46Å; R440-K444 PolarHBondContact O-N 3.41Å; R440-V453 HydrophobicContact CB-CB 4.29Å; R440-V453 PolarHBondContact NE-O 3.21Å; R440-V453 PolarHBondContact NH2-O 3.11Å
441N87.8Confident85.9Confident97 Ų9756.1 Ų56.152%0.51929%0.293SS..Hα-helixtrans-67.5-37.2174.9-75.1-22.2000112.5S437 M438 L439 K445S437-N441 WeakPolarHBondContact O-CB 3.38Å; S437-N441 VanDerWaalsContact O-CG 3.25Å; S437-N441 PolarHBondContact O-N 3.16Å; S437-N441 PolarHBondContact O-ND2 3.38Å; M438-N441 WeakPolarHBondContact O-CB 3.27Å; M438-N441 PolarHBondContact O-N 3.4Å; L439-N441 VanDerWaalsContact C-N 3.29Å; L439-N441 PolarHBondContact O-N 3.49Å; N441-K445 WeakPolarHBondContact O-CB 3.22Å; N441-K445 WeakPolarHBondContact O-CG 3.36Å; N441-K445 PolarHBondContact O-N 3.21Å
442K87.6Confident86.5Confident71 Ų7159.5 Ų59.531%0.30931%0.313SS..Hα-helixtrans-65.7-46.2174.1-74.8179.2177.9-810111.1M438 L439 K444 K445 A446 E500 L503M438-K442 PolarHBondContact O-N 3.02Å; L439-K442 CarbonylContact O-C 3.3Å; L439-K442 WeakPolarHBondContact O-CA 3.37Å; L439-K442 WeakPolarHBondContact O-CB 3.35Å; L439-K442 PolarHBondContact O-N 2.92Å; K442-K444 PolarHBondContact O-N 2.96Å; K442-K445 PolarHBondContact O-N 3.17Å; K442-K445 VanDerWaalsContact O-N 3.17Å; K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.27Å; K442-A446 PolarHBondContact O-N 2.92Å; K442-E500 IonicContact NZ-OE1 3.09Å; K442-E500 PolarHBondContact NZ-OE1 3.29Å; K442-L503 HydrophobicContact CB-CD1 3.87Å
443F88.8Confident86.9Confident3 Ų359.7 Ų59.71%0.01331%0.314CS..Hα-helixtrans-58-47.9175.5-75.98.5000111.4V421 L439 K445 A446 G447 I448 I451 V453 L503 L506V421-F443 HydrophobicContact CG2-CE2 4.23Å; L439-F443 HydrophobicContact CD1-CD1 4.06Å; L439-F443 HydrophobicContact CD1-CE1 3.51Å; L439-F443 HydrophobicContact CD1-CZ 3.99Å; L439-F443 HydrophobicContact CD2-CE1 4.15Å; L439-F443 HydrophobicContact CD2-CE2 4.21Å; L439-F443 HydrophobicContact CD2-CZ 3.74Å; L439-F443 HydrophobicContact CG-CD1 4.09Å; L439-F443 HydrophobicContact CG-CE1 3.68Å; L439-F443 HydrophobicContact CG-CE2 4.23Å; L439-F443 HydrophobicContact CG-CZ 3.75Å; L439-F443 WeakPolarHBondContact O-CB 3.45Å; L439-F443 WeakPolarHBondContact O-CG 3.28Å; L439-F443 PolarHBondContact O-N 3.36Å; F443-K445 VanDerWaalsContact C-N 3.34Å; F443-K445 PolarHBondContact O-N 2.9Å; F443-A446 CarbonylContact O-C 3.54Å; F443-A446 WeakPolarHBondContact O-CA 3.11Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.37Å; F443-G447 PolarHBondContact O-N 3.49Å; F443-I448 HydrophobicContact CB-CB 4.08Å; F443-I448 HydrophobicContact CD1-CD1 4.08Å; F443-I448 HydrophobicContact CD2-CG2 4.32Å; F443-I448 HydrophobicContact CE1-CD1 4.41Å; F443-I448 HydrophobicContact CG-CB 4.33Å; F443-I448 HydrophobicContact CG-CD1 4.39Å; F443-I448 HydrophobicContact CG-CG2 4.44Å; F443-I448 PolarHBondContact O-N 2.96Å; F443-I451 HydrophobicContact CD2-CB 4.25Å; F443-I451 HydrophobicContact CD2-CG2 4.34Å; F443-I451 HydrophobicContact CE2-CB 4.1Å; F443-I451 HydrophobicContact CE2-CG2 3.77Å; F443-V453 HydrophobicContact CD2-CG2 3.55Å; F443-V453 HydrophobicContact CE2-CG2 3.54Å; F443-L503 HydrophobicContact CD1-CD1 4.13Å; F443-L503 HydrophobicContact CE1-CB 4.48Å; F443-L506 HydrophobicContact CE1-CD1 4.22Å; F443-L506 HydrophobicContact CE2-CD1 4.24Å; F443-L506 HydrophobicContact CZ-CD1 3.54Å
444K86.7Confident87.3Confident159 Ų15960.7 Ų60.769%0.69132%0.318SS*.Hα-helixtrans-59.1-41.2175.3-173.5175.3-178.5177.60113R440 K442 A446 G447R440-K444 WeakPolarHBondContact O-CB 3.46Å; R440-K444 PolarHBondContact O-N 3.41Å; K442-K444 PolarHBondContact O-N 2.96Å; K444-A446 VanDerWaalsContact C-N 3.29Å; K444-G447 PolarHBondContact O-N 3.2Å
445K88.2Confident87.7Confident193 Ų19361.7 Ų61.784%0.83932%0.324SS*.Hα-helixtrans-69.6-28.1175.4-75.5179.4179.1-172.10112.8N441 K442 F443N441-K445 WeakPolarHBondContact O-CB 3.22Å; N441-K445 WeakPolarHBondContact O-CG 3.36Å; N441-K445 PolarHBondContact O-N 3.21Å; K442-K445 PolarHBondContact O-N 3.17Å; K442-K445 VanDerWaalsContact O-N 3.17Å; F443-K445 VanDerWaalsContact C-N 3.34Å; F443-K445 PolarHBondContact O-N 2.9Å
446A86.6Confident87.9Confident25 Ų2562.9 Ų62.921%0.20733%0.331CS..Hα-helixtrans-85.4-8.5179.400000114.2K442 F443 K444 I448 L503 K507K442-A446 VanDerWaalsContact O-CB 3.23Å; K442-A446 WeakPolarHBondContact O-CB 3.27Å; K442-A446 PolarHBondContact O-N 2.92Å; F443-A446 CarbonylContact O-C 3.54Å; F443-A446 WeakPolarHBondContact O-CA 3.11Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.37Å; K444-A446 VanDerWaalsContact C-N 3.29Å; A446-I448 HydrophobicContact CB-CD1 4.34Å; A446-I448 HydrophobicContact CB-CG1 4.31Å; A446-L503 HydrophobicContact CB-CD1 3.81Å; A446-L503 HydrophobicContact CB-CD2 3.92Å; A446-L503 HydrophobicContact CB-CG 4.09Å; A446-K507 VanDerWaalsContact CB-CE 3.46Å; A446-K507 VanDerWaalsContact O-CE 3.31Å; A446-K507 WeakPolarHBondContact O-CE 3.18Å
447G84.5Confident87.9Confident52 Ų5263.1 Ų63.154%0.53633%0.333SS..THydrogen-bonded Turntrans875.8-178.300000115F443 K444 N449F443-G447 PolarHBondContact O-N 3.49Å; K444-G447 PolarHBondContact O-N 3.2Å; G447-N449 PolarHBondContact O-N 3.26Å
448I84.4Confident87.9Confident7 Ų760.5 Ų60.54%0.03632%0.315CS..  trans-83.5106.3-179.9-54.6171.8000108.4F443 A446 I451 L503 L506 K507F443-I448 HydrophobicContact CB-CB 4.08Å; F443-I448 HydrophobicContact CD1-CD1 4.08Å; F443-I448 HydrophobicContact CD2-CG2 4.32Å; F443-I448 HydrophobicContact CE1-CD1 4.41Å; F443-I448 HydrophobicContact CG-CB 4.33Å; F443-I448 HydrophobicContact CG-CD1 4.39Å; F443-I448 HydrophobicContact CG-CG2 4.44Å; F443-I448 PolarHBondContact O-N 2.96Å; A446-I448 HydrophobicContact CB-CD1 4.34Å; A446-I448 HydrophobicContact CB-CG1 4.31Å; I448-I451 HydrophobicContact CG2-CB 4.01Å; I448-I451 HydrophobicContact CG2-CD1 3.77Å; I448-I451 HydrophobicContact CG2-CG1 3.76Å; I448-L503 HydrophobicContact CD1-CG 4.24Å; I448-L506 HydrophobicContact CD1-CB 4.49Å; I448-K507 HydrophobicContact CD1-CG 4.07Å; I448-K507 HydrophobicContact CG1-CG 4.35Å
449N80.2Confident87.9Confident124 Ų12461.4 Ų61.466%0.66332%0.321SS*.  trans-108.7-18-177.9-64.4-39.3000113.6G447 I451G447-N449 PolarHBondContact O-N 3.26Å; N449-I451 VanDerWaalsContact C-N 3.32Å
450D84.1Confident87.8Confident126 Ų12666 Ų6667%0.67434%0.342SS*.SBendtrans-88.4-5.8-170.6-53.5-37.1000112.8
451I87.3Confident87.8Confident20 Ų2060.5 Ų60.510%0.10332%0.322CS..  trans-106.9116.6-179.6-52.1-175.7000110.4V421 F443 I448 N449 L506V421-I451 HydrophobicContact CG2-CG2 3.68Å; F443-I451 HydrophobicContact CD2-CB 4.25Å; F443-I451 HydrophobicContact CD2-CG2 4.34Å; F443-I451 HydrophobicContact CE2-CB 4.1Å; F443-I451 HydrophobicContact CE2-CG2 3.77Å; I448-I451 HydrophobicContact CG2-CB 4.01Å; I448-I451 HydrophobicContact CG2-CD1 3.77Å; I448-I451 HydrophobicContact CG2-CG1 3.76Å; N449-I451 VanDerWaalsContact C-N 3.32Å; I451-L506 HydrophobicContact CD1-CB 4.15Å; I451-L506 HydrophobicContact CD1-CD1 3.86Å; I451-L506 HydrophobicContact CD1-CD2 3.77Å; I451-L506 HydrophobicContact CD1-CG 4.15Å
452T90Very high87.8Confident78 Ų7858.1 Ų58.148%0.47931%0.312SS..EExtended strand (participates in β ladder)trans-81.2136.7174.3610000110.7N419 H420 V421N419-T452 PolarHBondContact O-N 3.2Å; N419-T452 PolarHBondContact O-OG1 2.96Å; H420-T452 CarbonylContact C-O 3.57Å; H420-T452 WeakPolarHBondContact CA-O 3.46Å; H420-T452 PolarHBondContact CD2-O 2.98Å; H420-T452 PolarHBondContact CD2-OG1 2.79Å; V421-T452 PolarHBondContact N-O 3.47Å
453V92.3Very high87.7Confident4 Ų463.6 Ų63.62%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-120.9118.6177.7-173.80000109.4V421 F423 A436 L439 R440 F443V421-V453 HydrophobicContact CB-CG1 4.39Å; V421-V453 HydrophobicContact CB-CG2 4.29Å; V421-V453 WeakPolarHBondContact O-CA 3.33Å; F423-V453 HydrophobicContact CD2-CG1 3.93Å; F423-V453 HydrophobicContact CE2-CG1 3.73Å; A436-V453 HydrophobicContact CB-CG1 3.92Å; A436-V453 WeakPolarHBondContact O-CG1 3.42Å; L439-V453 HydrophobicContact CB-CG1 4.28Å; L439-V453 HydrophobicContact CD2-CG1 4.14Å; L439-V453 HydrophobicContact CD2-CG2 4.32Å; R440-V453 HydrophobicContact CB-CB 4.29Å; R440-V453 PolarHBondContact NE-O 3.21Å; R440-V453 PolarHBondContact NH2-O 3.11Å; F443-V453 HydrophobicContact CD2-CG2 3.55Å; F443-V453 HydrophobicContact CE2-CG2 3.54Å
454T92.6Very high87.7Confident49 Ų4969.6 Ų69.630%0.30137%0.368SS..EExtended strand (participates in β ladder)trans-130.1176.3-177.869.40000111.8H420 V421 F423H420-T454 VanDerWaalsContact NE2-CG2 3.29Å; H420-T454 WeakPolarHBondContact NE2-CG2 3.13Å; H420-T454 PolarHBondContact NE2-OG1 3.33Å; V421-T454 PolarHBondContact O-N 2.85Å; F423-T454 PolarHBondContact N-O 3.26Å
455N91.2Very high87.8Confident54 Ų5462.4 Ų62.429%0.28934%0.338SS..EExtended strand (participates in β ladder)trans-134.3145.2174.758.4-79.8000109.9F423 G428 A436F423-N455 HydrophobicContact CB-CB 4.1Å; F423-N455 CarbonylContact O-C 3.59Å; F423-N455 WeakPolarHBondContact O-CA 3.38Å; F423-N455 WeakPolarHBondContact O-CB 3.36Å; G428-N455 PolarHBondContact O-ND2 3.4Å; A436-N455 HydrophobicContact CB-CB 4.17Å
456T89.8Confident87.8Confident25 Ų2555.9 Ų55.915%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-150167.8177.8-166.50000111.4I422 F423 A424 C425 G428 Q460 L461I422-T456 HydrophobicContact CG2-CG2 3.47Å; I422-T456 VanDerWaalsContact CG2-CG2 3.47Å; F423-T456 PolarHBondContact O-N 3.14Å; A424-T456 WeakPolarHBondContact CA-O 3.15Å; C425-T456 PolarHBondContact N-O 3.42Å; G428-T456 VanDerWaalsContact CA-O 3.27Å; G428-T456 WeakPolarHBondContact CA-O 3.25Å; T456-Q460 WeakPolarHBondContact OG1-CB 3.49Å; T456-Q460 PolarHBondContact OG1-O 2.87Å; T456-L461 HydrophobicContact CG2-CD2 3.73Å; T456-L461 HydrophobicContact CG2-CG 4.05Å
457A89.2Confident88.1Confident5 Ų554.7 Ų54.74%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-76.4145.6171.200000109.7C425 G428 N459 Q460 L461C425-A457 CarbonylContact O-C 3.29Å; C425-A457 WeakPolarHBondContact O-CA 3.47Å; G428-A457 VanDerWaalsContact CA-N 3.29Å; A457-N459 WeakPolarHBondContact CB-OD1 3.19Å; A457-N459 PolarHBondContact O-N 2.92Å; A457-Q460 HydrophobicContact CB-CB 4.33Å; A457-Q460 HydrophobicContact CB-CG 4.31Å; A457-Q460 CarbonylContact O-C 3.49Å; A457-Q460 WeakPolarHBondContact O-CA 3.39Å; A457-Q460 PolarHBondContact O-N 3.49Å; A457-L461 PolarHBondContact O-N 3.47Å
458I89.5Confident88.6Confident1 Ų152.2 Ų52.21%0.00528%0.275CS..G310 helixtrans-56.7-37.8-177.6-67.3164.4000111.7A424 C425 Q460 L461 L474 R477 A478 Q481A424-I458 HydrophobicContact CB-CG1 3.88Å; C425-I458 PolarHBondContact O-N 3.35Å; I458-Q460 PolarHBondContact O-N 3.15Å; I458-L461 HydrophobicContact CG2-CD1 4.23Å; I458-L461 PolarHBondContact O-N 2.87Å; I458-L474 HydrophobicContact CD1-CB 3.71Å; I458-L474 HydrophobicContact CD1-CD1 4.06Å; I458-L474 HydrophobicContact CD1-CD2 4.01Å; I458-L474 HydrophobicContact CD1-CG 4.14Å; I458-R477 HydrophobicContact CG2-CB 4.27Å; I458-R477 HydrophobicContact CG2-CG 3.77Å; I458-A478 HydrophobicContact CG2-CB 4.42Å; I458-Q481 WeakPolarHBondContact O-CG 3.39Å
459N86.6Confident89.1Confident74 Ų7452 Ų5240%0.39627%0.274SS..G310 helixtrans-71.2-8.2176.263-23.1000114.4A457A457-N459 WeakPolarHBondContact CB-OD1 3.19Å; A457-N459 PolarHBondContact O-N 2.92Å
460Q86.1Confident89.7Confident97 Ų9746 Ų4645%0.45324%0.242SC..G310 helixtrans-115.413.7178.3-64.8179.7-10.800111.7T456 A457 I458T456-Q460 WeakPolarHBondContact OG1-CB 3.49Å; T456-Q460 PolarHBondContact OG1-O 2.87Å; A457-Q460 HydrophobicContact CB-CB 4.33Å; A457-Q460 HydrophobicContact CB-CG 4.31Å; A457-Q460 CarbonylContact O-C 3.49Å; A457-Q460 WeakPolarHBondContact O-CA 3.39Å; A457-Q460 PolarHBondContact O-N 3.49Å; I458-Q460 PolarHBondContact O-N 3.15Å
461L89.6Confident89.9Confident7 Ų741.5 Ų41.54%0.03722%0.217CC..  trans-61.5128.1171.4-83.9167.4000109.4I422 A424 T456 A457 I458 V468 A478 Q481 T482I422-L461 HydrophobicContact CB-CD2 4.34Å; I422-L461 HydrophobicContact CD1-CD2 4.44Å; I422-L461 HydrophobicContact CG2-CD2 3.78Å; A424-L461 HydrophobicContact CB-CD1 3.94Å; A424-L461 HydrophobicContact CB-CD2 3.92Å; A424-L461 HydrophobicContact CB-CG 4.03Å; T456-L461 HydrophobicContact CG2-CD2 3.73Å; T456-L461 HydrophobicContact CG2-CG 4.05Å; A457-L461 PolarHBondContact O-N 3.47Å; I458-L461 HydrophobicContact CG2-CD1 4.23Å; I458-L461 PolarHBondContact O-N 2.87Å; L461-V468 HydrophobicContact CD1-CG1 4.08Å; L461-V468 HydrophobicContact CD2-CG1 3.98Å; L461-V468 HydrophobicContact CD2-CG2 3.84Å; L461-A478 HydrophobicContact CD1-CB 3.93Å; L461-Q481 HydrophobicContact CB-CG 3.93Å; L461-Q481 HydrophobicContact CD1-CB 4.48Å; L461-T482 HydrophobicContact CB-CG2 3.78Å
462P87.8Confident89.9Confident46 Ų4644 Ų4430%0.29923%0.227SC..  trans-72.4144.9179.434.9-37000109.6I422 D464 A465 T482I422-P462 HydrophobicContact CD1-CG 3.56Å; P462-D464 WeakPolarHBondContact CB-OD1 3.45Å; P462-D464 PolarHBondContact O-N 3.34Å; P462-A465 HydrophobicContact CG-CB 4.15Å; P462-A465 VanDerWaalsContact O-CB 3.25Å; P462-A465 WeakPolarHBondContact O-CB 3.33Å; P462-A465 PolarHBondContact O-N 3.43Å; P462-T482 WeakPolarHBondContact O-CG2 3.4Å
463K87.1Confident89.8Confident186 Ų18649.1 Ų49.181%0.80924%0.243SC*.THydrogen-bonded Turntrans-66.3-22.9-172.3-68.6-173.3179-177.70113.5
464D87.6Confident89.7Confident130 Ų13050.8 Ų50.870%0.69525%0.251SS*.THydrogen-bonded Turntrans-93.412.8176.861-32.8000112.9P462 Q466P462-D464 WeakPolarHBondContact CB-OD1 3.45Å; P462-D464 PolarHBondContact O-N 3.34Å; D464-Q466 PolarHBondContact O-N 2.86Å
465A88.8Confident89.6Confident7 Ų748.4 Ų48.46%0.05824%0.237CC..  trans-53.6129.7173.400000110.9I422 P462 V468 T482 A485I422-A465 HydrophobicContact CD1-CB 3.9Å; P462-A465 HydrophobicContact CG-CB 4.15Å; P462-A465 VanDerWaalsContact O-CB 3.25Å; P462-A465 WeakPolarHBondContact O-CB 3.33Å; P462-A465 PolarHBondContact O-N 3.43Å; A465-V468 HydrophobicContact CB-CG2 3.88Å; A465-T482 HydrophobicContact CB-CG2 4.11Å; A465-A485 HydrophobicContact CB-CB 4.31Å; A465-A485 WeakPolarHBondContact O-CA 3.35Å; A465-A485 WeakPolarHBondContact O-CB 3.12Å
466Q89.4Confident89.5Confident57 Ų5747.3 Ų47.327%0.26623%0.231SC..SBendtrans-93.8-45.3-178-57.3176.7-4300111.7N417 I418 N419 D464 I486N417-Q466 PolarHBondContact O-NE2 3.38Å; N417-Q466 PolarHBondContact O-OE1 3.44Å; I418-Q466 HydrophobicContact CG1-CB 4.25Å; N419-Q466 PolarHBondContact OD1-OE1 2.93Å; D464-Q466 PolarHBondContact O-N 2.86Å; Q466-I486 PolarHBondContact O-N 3.37Å
467L92.9Very high89.5Confident0 Ų051 Ų510%024%0.242CC..EExtended strand (participates in β ladder)trans-135.4122.7179.7178.562.1000110.8Y415 I418 V421 I422 I486 I488 L502Y415-L467 HydrophobicContact CD1-CD2 4.4Å; Y415-L467 HydrophobicContact CE1-CD1 4.27Å; Y415-L467 HydrophobicContact CE1-CD2 4.18Å; I418-L467 HydrophobicContact CD1-CB 4.2Å; I418-L467 HydrophobicContact CD1-CD2 4.37Å; I418-L467 HydrophobicContact CG2-CB 4.11Å; I418-L467 HydrophobicContact CG2-CD2 4.38Å; V421-L467 HydrophobicContact CB-CD2 4.42Å; V421-L467 HydrophobicContact CG1-CD2 3.94Å; V421-L467 HydrophobicContact CG1-CG 4.16Å; V421-L467 HydrophobicContact CG2-CD2 3.86Å; I422-L467 PolarHBondContact N-O 2.72Å; L467-I486 CarbonylContact C-O 3.38Å; L467-I486 WeakPolarHBondContact CA-O 3.23Å; L467-I486 HydrophobicContact CD1-CB 3.77Å; L467-I486 HydrophobicContact CD1-CG2 3.49Å; L467-I486 VanDerWaalsContact CD1-CG2 3.49Å; L467-I488 HydrophobicContact CD1-CG1 3.83Å; L467-L502 HydrophobicContact CD2-CD1 3.7Å; L467-L502 HydrophobicContact CD2-CD2 4Å; L467-L502 HydrophobicContact CD2-CG 4.46Å
468V94Very high89.6Confident0 Ų050.8 Ų50.80%024%0.24CC..EExtended strand (participates in β ladder)trans-119.5124.6-179.1-176.50000110.5I422 A424 L461 A465 T470 A478 A485 I486 H487 I488I422-V468 CarbonylContact O-C 3.59Å; I422-V468 WeakPolarHBondContact O-CA 3.47Å; A424-V468 HydrophobicContact CB-CG1 3.88Å; L461-V468 HydrophobicContact CD1-CG1 4.08Å; L461-V468 HydrophobicContact CD2-CG1 3.98Å; L461-V468 HydrophobicContact CD2-CG2 3.84Å; A465-V468 HydrophobicContact CB-CG2 3.88Å; V468-T470 HydrophobicContact CG1-CG2 3.87Å; V468-A478 HydrophobicContact CG1-CB 4.23Å; V468-A485 HydrophobicContact CG2-CB 3.94Å; V468-I486 PolarHBondContact N-O 2.84Å; V468-H487 WeakPolarHBondContact O-CA 3.34Å; V468-I488 PolarHBondContact O-N 2.86Å
469I94.4Very high89.6Confident1 Ų151 Ų511%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-105.4123.2175.3-55.4-179.5000109.1V421 I422 F423 A424 L439 I488 V490 F493 Y499 L502V421-I469 HydrophobicContact CG1-CD1 3.66Å; V421-I469 HydrophobicContact CG1-CG1 4.07Å; I422-I469 PolarHBondContact O-N 3.48Å; F423-I469 WeakPolarHBondContact CA-O 3.41Å; F423-I469 HydrophobicContact CD1-CB 4.15Å; F423-I469 HydrophobicContact CD1-CG2 4.11Å; F423-I469 HydrophobicContact CE1-CB 4.16Å; F423-I469 HydrophobicContact CE1-CD1 4.19Å; F423-I469 HydrophobicContact CE1-CG2 3.85Å; F423-I469 HydrophobicContact CE2-CD1 3.87Å; F423-I469 HydrophobicContact CG-CB 4.41Å; F423-I469 HydrophobicContact CZ-CB 4.44Å; F423-I469 HydrophobicContact CZ-CD1 3.67Å; F423-I469 HydrophobicContact CZ-CG2 4.39Å; A424-I469 PolarHBondContact N-O 2.83Å; L439-I469 HydrophobicContact CD2-CD1 4.19Å; I469-I488 VanDerWaalsContact CA-O 3.31Å; I469-I488 WeakPolarHBondContact CA-O 3.32Å; I469-I488 HydrophobicContact CG1-CB 4.36Å; I469-V490 HydrophobicContact CG2-CG1 3.95Å; I469-V490 HydrophobicContact CG2-CG2 4.12Å; I469-F493 HydrophobicContact CG2-CD1 4.47Å; I469-F493 HydrophobicContact CG2-CE1 4.21Å; I469-Y499 HydrophobicContact CD1-CE1 4.48Å; I469-Y499 HydrophobicContact CG2-CE1 4.41Å; I469-L502 HydrophobicContact CD1-CD2 3.94Å
470T92.8Very high89.7Confident0 Ų054.4 Ų54.40%025%0.252CS..EExtended strand (participates in β ladder)trans-132.9162.6-179.9560000112.4A424 V468 T475 A478 I488 S489 V490A424-T470 HydrophobicContact CB-CG2 3.89Å; V468-T470 HydrophobicContact CG1-CG2 3.87Å; T470-T475 VanDerWaalsContact OG1-CA 3.31Å; T470-T475 WeakPolarHBondContact OG1-CA 3.38Å; T470-T475 WeakPolarHBondContact OG1-CB 3.48Å; T470-T475 PolarHBondContact OG1-OG1 3.26Å; T470-A478 HydrophobicContact CG2-CB 3.61Å; T470-I488 PolarHBondContact N-O 3.19Å; T470-S489 CarbonylContact O-C 3.58Å; T470-S489 WeakPolarHBondContact O-CA 3.34Å; T470-V490 WeakPolarHBondContact O-CG2 3.41Å; T470-V490 PolarHBondContact O-N 3.24Å
471Q89.7Confident89.8Confident30 Ų3053.9 Ų53.914%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-71145.3163.3-77.5175.72700109.9K473 L474 T475 V490 F493Q471-K473 PolarHBondContact O-N 2.99Å; Q471-L474 WeakPolarHBondContact O-CA 3.44Å; Q471-L474 WeakPolarHBondContact O-CB 3.39Å; Q471-L474 PolarHBondContact O-N 3.25Å; Q471-T475 PolarHBondContact O-N 3.07Å; Q471-T475 PolarHBondContact O-OG1 3.4Å; Q471-V490 VanDerWaalsContact CA-O 3.22Å; Q471-V490 WeakPolarHBondContact CA-O 3.49Å; Q471-F493 HydrophobicContact CG-CD2 3.98Å; Q471-F493 HydrophobicContact CG-CE2 3.69Å; Q471-F493 HydrophobicContact CG-CZ 4.12Å; Q471-F493 VanDerWaalsContact NE2-CD2 3.29Å
472K87.1Confident89.9Confident72 Ų7253.7 Ų53.731%0.31325%0.249SC..Hα-helixtrans-41.6-48.9-179.7-67.2-171.4178.6-158.50113.3E408 L474 T475 V490 D491E408-K472 WeakPolarHBondContact OE1-CE 3.08Å; E408-K472 IonicContact OE1-NZ 3.66Å; E408-K472 PolarHBondContact OE1-NZ 3.08Å; E408-K472 WeakPolarHBondContact OE2-CE 3.2Å; E408-K472 IonicContact OE2-NZ 3.98Å; E408-K472 PolarHBondContact OE2-NZ 2.98Å; K472-L474 PolarHBondContact O-N 3.23Å; K472-T475 WeakPolarHBondContact O-CB 3.38Å; K472-T475 PolarHBondContact O-N 2.83Å; K472-T475 VanDerWaalsContact O-N 3.16Å; K472-T475 PolarHBondContact O-OG1 3.32Å; K472-V490 PolarHBondContact N-O 3.02Å; K472-D491 WeakPolarHBondContact CD-OD1 3.24Å; K472-D491 WeakPolarHBondContact CE-OD1 3.26Å; K472-D491 IonicContact NZ-OD1 2.59Å
473K87.9Confident89.9Confident187 Ų18754.4 Ų54.481%0.81325%0.254SS*.Hα-helixtrans-61.7-12179.6-60-175.2179.8-176.90115.9Q471Q471-K473 PolarHBondContact O-N 2.99Å
474L90.1Very high89.8Confident38 Ų3853 Ų5320%0.19926%0.255CS..Hα-helixtrans-116.6-7.2-175.8-67178.8000112.4C425 I458 Q471 K472 R477 A478C425-L474 HydrophobicContact CB-CD1 4.39Å; I458-L474 HydrophobicContact CD1-CB 3.71Å; I458-L474 HydrophobicContact CD1-CD1 4.06Å; I458-L474 HydrophobicContact CD1-CD2 4.01Å; I458-L474 HydrophobicContact CD1-CG 4.14Å; Q471-L474 WeakPolarHBondContact O-CA 3.44Å; Q471-L474 WeakPolarHBondContact O-CB 3.39Å; Q471-L474 PolarHBondContact O-N 3.25Å; K472-L474 PolarHBondContact O-N 3.23Å; L474-R477 PolarHBondContact O-N 2.9Å; L474-A478 PolarHBondContact O-N 2.89Å; L474-A478 VanDerWaalsContact O-N 3.14Å
475T90.7Very high90Very high0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-63-46.2-173.7-56.90000111.5L402 T407 T470 Q471 K472 R477 A478 I479 H487 S489L402-T475 HydrophobicContact CD2-CG2 3.81Å; T407-T475 HydrophobicContact CG2-CG2 3.85Å; T470-T475 VanDerWaalsContact OG1-CA 3.31Å; T470-T475 WeakPolarHBondContact OG1-CA 3.38Å; T470-T475 WeakPolarHBondContact OG1-CB 3.48Å; T470-T475 PolarHBondContact OG1-OG1 3.26Å; Q471-T475 PolarHBondContact O-N 3.07Å; Q471-T475 PolarHBondContact O-OG1 3.4Å; K472-T475 WeakPolarHBondContact O-CB 3.38Å; K472-T475 PolarHBondContact O-N 2.83Å; K472-T475 VanDerWaalsContact O-N 3.16Å; K472-T475 PolarHBondContact O-OG1 3.32Å; T475-R477 PolarHBondContact O-N 2.63Å; T475-R477 VanDerWaalsContact O-N 3.15Å; T475-A478 CarbonylContact O-C 3.57Å; T475-A478 WeakPolarHBondContact O-CA 3.42Å; T475-A478 WeakPolarHBondContact O-CB 3.45Å; T475-A478 PolarHBondContact O-N 2.89Å; T475-I479 HydrophobicContact CG2-CD1 3.82Å; T475-I479 HydrophobicContact CG2-CG1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.43Å; T475-I479 PolarHBondContact O-N 2.81Å; T475-H487 HydrophobicContact CG2-CB 4.33Å; T475-S489 WeakPolarHBondContact CB-OG 3.46Å; T475-S489 VanDerWaalsContact CG2-OG 3.23Å; T475-S489 WeakPolarHBondContact CG2-OG 3.19Å; T475-S489 PolarHBondContact OG1-OG 3.08Å
476D88.6Confident90.1Very high30 Ų3048.3 Ų48.316%0.1623%0.229CC..Hα-helixtrans-56.7-38.7178.7-47.7-19.5000112.5P398 L402 K480P398-D476 WeakPolarHBondContact CB-OD2 3.41Å; L402-D476 WeakPolarHBondContact CD1-OD1 3.38Å; L402-D476 WeakPolarHBondContact CD2-OD1 2.99Å; L402-D476 WeakPolarHBondContact CG-OD1 3.44Å; D476-K480 WeakPolarHBondContact O-CB 3.3Å; D476-K480 VanDerWaalsContact O-CG 3.28Å; D476-K480 WeakPolarHBondContact O-CG 3.31Å; D476-K480 PolarHBondContact O-N 3.12Å
477R89.1Confident90.2Very high104 Ų10445.6 Ų45.639%0.39222%0.217SC..Hα-helixtrans-71.5-34.7179.9-169.4-177.8153.2-166.8-9.3111.3D426 I458 L474 T475 Q481D426-R477 IonicContact OD1-CZ 3.75Å; D426-R477 IonicContact OD1-NH1 2.81Å; D426-R477 PolarHBondContact OD1-NH1 2.88Å; D426-R477 IonicContact OD1-NH2 3.08Å; D426-R477 PolarHBondContact OD1-NH2 2.74Å; D426-R477 VanDerWaalsContact OD1-NH2 3.09Å; I458-R477 HydrophobicContact CG2-CB 4.27Å; I458-R477 HydrophobicContact CG2-CG 3.77Å; L474-R477 PolarHBondContact O-N 2.9Å; T475-R477 PolarHBondContact O-N 2.63Å; T475-R477 VanDerWaalsContact O-N 3.15Å; R477-Q481 PolarHBondContact O-N 3.45Å
478A91.1Very high90.2Very high0 Ų045.7 Ų45.70%022%0.217CC..Hα-helixtrans-70.3-43.2173.600000111.6I458 L461 V468 T470 L474 T475 K480 Q481 T482 H487I458-A478 HydrophobicContact CG2-CB 4.42Å; L461-A478 HydrophobicContact CD1-CB 3.93Å; V468-A478 HydrophobicContact CG1-CB 4.23Å; T470-A478 HydrophobicContact CG2-CB 3.61Å; L474-A478 PolarHBondContact O-N 2.89Å; L474-A478 VanDerWaalsContact O-N 3.14Å; T475-A478 CarbonylContact O-C 3.57Å; T475-A478 WeakPolarHBondContact O-CA 3.42Å; T475-A478 WeakPolarHBondContact O-CB 3.45Å; T475-A478 PolarHBondContact O-N 2.89Å; A478-K480 VanDerWaalsContact C-N 3.33Å; A478-K480 PolarHBondContact O-N 3.47Å; A478-Q481 WeakPolarHBondContact O-CB 3.24Å; A478-Q481 PolarHBondContact O-N 2.97Å; A478-T482 PolarHBondContact O-N 3.16Å; A478-T482 PolarHBondContact O-OG1 2.99Å; A478-H487 PolarHBondContact O-CE1 3.47Å
479I91.3Very high90.1Very high6 Ų645.8 Ų45.83%0.03122%0.218CC..Hα-helixtrans-56.3-47.4174.8-70.2168.2000110.5L402 Y405 T407 T475 Q481 T482 P483 H487L402-I479 HydrophobicContact CD2-CD1 4.07Å; Y405-I479 HydrophobicContact CD2-CD1 3.83Å; Y405-I479 HydrophobicContact CD2-CG1 4.37Å; Y405-I479 HydrophobicContact CD2-CG2 3.94Å; Y405-I479 HydrophobicContact CE1-CG2 4.47Å; Y405-I479 HydrophobicContact CE2-CD1 4.41Å; Y405-I479 HydrophobicContact CE2-CG2 3.4Å; Y405-I479 VanDerWaalsContact CE2-CG2 3.4Å; Y405-I479 HydrophobicContact CG-CD1 3.97Å; Y405-I479 HydrophobicContact CG-CG1 4.43Å; T407-I479 HydrophobicContact CG2-CD1 4.27Å; T475-I479 HydrophobicContact CG2-CD1 3.82Å; T475-I479 HydrophobicContact CG2-CG1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.43Å; T475-I479 PolarHBondContact O-N 2.81Å; I479-Q481 PolarHBondContact O-N 2.88Å; I479-T482 CarbonylContact O-C 3.55Å; I479-T482 PolarHBondContact O-N 3.34Å; I479-P483 VanDerWaalsContact O-CA 3.24Å; I479-P483 WeakPolarHBondContact O-CA 3.47Å; I479-P483 WeakPolarHBondContact O-CD 3.49Å; I479-P483 VanDerWaalsContact O-N 3.07Å; I479-H487 HydrophobicContact CG1-CB 4.15Å; I479-H487 PolarHBondContact N-CE1 2.82Å
480K88.7Confident89.8Confident144 Ų14445.8 Ų45.863%0.62622%0.218SC*.Hα-helixtrans-59.6-30.7177.1-75.6171.6179.2173.50113.4D476 A478D476-K480 WeakPolarHBondContact O-CB 3.3Å; D476-K480 VanDerWaalsContact O-CG 3.28Å; D476-K480 WeakPolarHBondContact O-CG 3.31Å; D476-K480 PolarHBondContact O-N 3.12Å; A478-K480 VanDerWaalsContact C-N 3.33Å; A478-K480 PolarHBondContact O-N 3.47Å
481Q87.9Confident89.4Confident86 Ų8650.6 Ų50.640%0.40224%0.243SC..Hα-helixtrans-82.5-40.5-179.9-172.671.811.400112.3I458 L461 R477 A478 I479I458-Q481 WeakPolarHBondContact O-CG 3.39Å; L461-Q481 HydrophobicContact CB-CG 3.93Å; L461-Q481 HydrophobicContact CD1-CB 4.48Å; R477-Q481 PolarHBondContact O-N 3.45Å; A478-Q481 WeakPolarHBondContact O-CB 3.24Å; A478-Q481 PolarHBondContact O-N 2.97Å; I479-Q481 PolarHBondContact O-N 2.88Å
482T90.1Very high89.1Confident3 Ų351.1 Ų51.12%0.01825%0.247CC..  trans-134.975.5-177.456.80000110.5L461 P462 A465 A478 I479 N484 A485 H487L461-T482 HydrophobicContact CB-CG2 3.78Å; P462-T482 WeakPolarHBondContact O-CG2 3.4Å; A465-T482 HydrophobicContact CB-CG2 4.11Å; A478-T482 PolarHBondContact O-N 3.16Å; A478-T482 PolarHBondContact O-OG1 2.99Å; I479-T482 CarbonylContact O-C 3.55Å; I479-T482 PolarHBondContact O-N 3.34Å; T482-N484 PolarHBondContact O-N 3.34Å; T482-A485 PolarHBondContact O-N 2.83Å; T482-H487 PolarHBondContact O-NE2 3.19Å; T482-H487 PolarHBondContact OG1-CE1 2.96Å
483P88.4Confident89Confident62 Ų6247.7 Ų47.740%0.40323%0.232SC..THydrogen-bonded Turntrans-68.6-19.4-172.826-35.1000114Y405 I479Y405-P483 WeakPolarHBondContact CE1-O 3.36Å; Y405-P483 PolarHBondContact OH-O 3.49Å; I479-P483 VanDerWaalsContact O-CA 3.24Å; I479-P483 WeakPolarHBondContact O-CA 3.47Å; I479-P483 WeakPolarHBondContact O-CD 3.49Å; I479-P483 VanDerWaalsContact O-N 3.07Å
484N86.4Confident88.5Confident156 Ų15640.3 Ų40.383%0.83420%0.202SC*.THydrogen-bonded Turntrans-88.3-7.2-179.8-61.1-18.3000113.5T482T482-N484 PolarHBondContact O-N 3.34Å
485A90.2Very high87.9Confident5 Ų544.7 Ų44.74%0.04123%0.225CC..SBendtrans-80.9153.1178.700000110.7A465 V468 T482 H487A465-A485 HydrophobicContact CB-CB 4.31Å; A465-A485 WeakPolarHBondContact O-CA 3.35Å; A465-A485 WeakPolarHBondContact O-CB 3.12Å; V468-A485 HydrophobicContact CG2-CB 3.94Å; T482-A485 PolarHBondContact O-N 2.83Å; A485-H487 PolarHBondContact O-CD2 3.08Å
486I91.1Very high87.4Confident33 Ų3345.2 Ų45.217%0.16923%0.229CC..EExtended strand (participates in β ladder)trans-72128.4162.9-65.8158.7000107.6H413 N414 Y415 I418 Q466 L467 V468 I488H413-I486 HydrophobicContact CB-CD1 4.15Å; H413-I486 HydrophobicContact CB-CG1 4.35Å; H413-I486 HydrophobicContact CB-CG2 3.92Å; N414-I486 WeakPolarHBondContact O-CD1 3.32Å; Y415-I486 HydrophobicContact CE1-CG2 4.49Å; I418-I486 HydrophobicContact CD1-CD1 3.85Å; Q466-I486 PolarHBondContact O-N 3.37Å; L467-I486 CarbonylContact C-O 3.38Å; L467-I486 WeakPolarHBondContact CA-O 3.23Å; L467-I486 HydrophobicContact CD1-CB 3.77Å; L467-I486 HydrophobicContact CD1-CG2 3.49Å; L467-I486 VanDerWaalsContact CD1-CG2 3.49Å; V468-I486 PolarHBondContact N-O 2.84Å; I486-I488 HydrophobicContact CG2-CD1 4.3Å; I486-I488 HydrophobicContact CG2-CG1 4.4Å
487H92.5Very high87.1Confident1 Ų148.3 Ų48.31%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-110.5124178.4-70.6-89.6000109.6T407 V468 T475 A478 I479 T482 A485T407-H487 VanDerWaalsContact CA-O 3.25Å; T407-H487 WeakPolarHBondContact CA-O 3.34Å; T407-H487 HydrophobicContact CG2-CB 3.97Å; V468-H487 WeakPolarHBondContact O-CA 3.34Å; T475-H487 HydrophobicContact CG2-CB 4.33Å; A478-H487 PolarHBondContact O-CE1 3.47Å; I479-H487 HydrophobicContact CG1-CB 4.15Å; I479-H487 PolarHBondContact N-CE1 2.82Å; T482-H487 PolarHBondContact O-NE2 3.19Å; T482-H487 PolarHBondContact OG1-CE1 2.96Å; A485-H487 PolarHBondContact O-CD2 3.08Å
488I92Very high86.8Confident2 Ų244.6 Ų44.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-113.3118.3171.9-59-61.8000108.2V410 L467 V468 I469 T470 I486 R498V410-I488 HydrophobicContact CG2-CD1 4.29Å; V410-I488 HydrophobicContact CG2-CG2 4.25Å; L467-I488 HydrophobicContact CD1-CG1 3.83Å; V468-I488 PolarHBondContact O-N 2.86Å; I469-I488 VanDerWaalsContact CA-O 3.31Å; I469-I488 WeakPolarHBondContact CA-O 3.32Å; I469-I488 HydrophobicContact CG1-CB 4.36Å; T470-I488 PolarHBondContact N-O 3.19Å; I486-I488 HydrophobicContact CG2-CD1 4.3Å; I486-I488 HydrophobicContact CG2-CG1 4.4Å; I488-R498 HydrophobicContact CG2-CB 4.44Å
489S91.5Very high86.5Confident2 Ų244.9 Ų44.91%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-79.7152.6172.5-57.10000109.5T407 T470 T475 R498T407-S489 WeakPolarHBondContact CB-OG 3.42Å; T407-S489 PolarHBondContact O-N 2.81Å; T407-S489 PolarHBondContact OG1-OG 3.36Å; T470-S489 CarbonylContact O-C 3.58Å; T470-S489 WeakPolarHBondContact O-CA 3.34Å; T475-S489 WeakPolarHBondContact CB-OG 3.46Å; T475-S489 VanDerWaalsContact CG2-OG 3.23Å; T475-S489 WeakPolarHBondContact CG2-OG 3.19Å; T475-S489 PolarHBondContact OG1-OG 3.08Å; S489-R498 VanDerWaalsContact C-NH1 3.26Å; S489-R498 WeakPolarHBondContact O-CD 3.45Å; S489-R498 PolarHBondContact O-NH1 3.26Å
490V89.5Confident86.2Confident0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-139.7151168.5-64.70000109.3I469 T470 Q471 K472 N492 F493 S496 R498 Y499I469-V490 HydrophobicContact CG2-CG1 3.95Å; I469-V490 HydrophobicContact CG2-CG2 4.12Å; T470-V490 WeakPolarHBondContact O-CG2 3.41Å; T470-V490 PolarHBondContact O-N 3.24Å; Q471-V490 VanDerWaalsContact CA-O 3.22Å; Q471-V490 WeakPolarHBondContact CA-O 3.49Å; K472-V490 PolarHBondContact N-O 3.02Å; V490-N492 VanDerWaalsContact C-N 3.34Å; V490-F493 HydrophobicContact CG2-CD1 3.82Å; V490-F493 HydrophobicContact CG2-CE1 4.09Å; V490-F493 HydrophobicContact CG2-CG 4.49Å; V490-S496 WeakPolarHBondContact CG1-OG 3.38Å; V490-R498 HydrophobicContact CG1-CB 4.48Å; V490-Y499 HydrophobicContact CG1-CE1 4.01Å
491D84.3Confident85.9Confident101 Ų10145 Ų4554%0.5424%0.24SC..SBendtrans-71.9-36.1172.6-63.6-53.2000111.2K364 K472K364-D491 PolarHBondContact NZ-O 2.92Å; K472-D491 WeakPolarHBondContact CD-OD1 3.24Å; K472-D491 WeakPolarHBondContact CE-OD1 3.26Å; K472-D491 IonicContact NZ-OD1 2.59Å
492N82.8Confident85.8Confident41 Ų4141 Ų4122%0.21922%0.222CC..  trans-145.1130.4-178.9-169.7-9.3000111.1V490 L494 N495V490-N492 VanDerWaalsContact C-N 3.34Å; N492-L494 PolarHBondContact O-N 3.35Å; N492-L494 VanDerWaalsContact O-N 3.13Å; N492-L494 PolarHBondContact OD1-N 3.25Å; N492-N495 PolarHBondContact O-N 3.15Å
493F84.2Confident85.6Confident0 Ų041.4 Ų41.40%022%0.224CC..THydrogen-bonded Turntrans-61.2-22.8174.8-71.6-58.6000113.5F423 A424 C425 S431 M438 I469 Q471 V490 Y499F423-F493 AromaticContact CD1-CD1 3.43Å; F423-F493 HydrophobicContact CD1-CD1 3.43Å; F423-F493 VanDerWaalsContact CD1-CD1 3.43Å; F423-F493 AromaticContact CD1-CE1 3.69Å; F423-F493 HydrophobicContact CD1-CE1 3.69Å; F423-F493 HydrophobicContact CD1-CG 4.38Å; F423-F493 AromaticContact CE1-CD1 3.82Å; F423-F493 HydrophobicContact CE1-CD1 3.82Å; F423-F493 HydrophobicContact CE1-CE1 4.38Å; A424-F493 WeakPolarHBondContact O-CZ 3.26Å; C425-F493 HydrophobicContact CB-CE2 4.15Å; S431-F493 WeakPolarHBondContact O-CB 3.4Å; S431-F493 WeakPolarHBondContact OG-CD2 3.45Å; M438-F493 WeakPolarHBondContact CE-O 3.37Å; I469-F493 HydrophobicContact CG2-CD1 4.47Å; I469-F493 HydrophobicContact CG2-CE1 4.21Å; Q471-F493 HydrophobicContact CG-CD2 3.98Å; Q471-F493 HydrophobicContact CG-CE2 3.69Å; Q471-F493 HydrophobicContact CG-CZ 4.12Å; Q471-F493 VanDerWaalsContact NE2-CD2 3.29Å; V490-F493 HydrophobicContact CG2-CD1 3.82Å; V490-F493 HydrophobicContact CG2-CE1 4.09Å; V490-F493 HydrophobicContact CG2-CG 4.49Å; F493-Y499 WeakPolarHBondContact CA-OH 3.45Å; F493-Y499 WeakPolarHBondContact O-CE2 3.36Å; F493-Y499 PolarHBondContact O-OH 3.33Å
494L77.3Confident85.4Confident32 Ų3242.4 Ų42.417%0.16823%0.226CC..THydrogen-bonded Turntrans-90.1-21.2-172.6-72.5175.2000115.3S369 M434 M438 N492S369-L494 WeakPolarHBondContact OG-CD1 3.49Å; M434-L494 HydrophobicContact CB-CD2 4.1Å; M434-L494 HydrophobicContact CE-CD1 4.02Å; M434-L494 HydrophobicContact CE-CD2 3.4Å; M434-L494 HydrophobicContact CE-CG 3.92Å; M434-L494 HydrophobicContact SD-CD2 3.78Å; M438-L494 HydrophobicContact CE-CB 4.42Å; M438-L494 HydrophobicContact CE-CD2 3.94Å; M438-L494 VanDerWaalsContact CE-O 3.25Å; M438-L494 WeakPolarHBondContact CE-O 2.93Å; M438-L494 HydrophobicContact SD-CD2 4.1Å; N492-L494 PolarHBondContact O-N 3.35Å; N492-L494 VanDerWaalsContact O-N 3.13Å; N492-L494 PolarHBondContact OD1-N 3.25Å
495N77.6Confident85.2Confident131 Ų13135.9 Ų35.970%0.70119%0.191SC*.  trans-154.5113.3178-169.915.9000107.8N492N492-N495 PolarHBondContact O-N 3.15Å
496S81.8Confident84.7Confident10 Ų1036 Ų367%0.0719%0.19CC..  trans-147.2128176.7-173.10000108.6V490 R498 Y499V490-S496 WeakPolarHBondContact CG1-OG 3.38Å; S496-R498 PolarHBondContact O-N 3.05Å; S496-R498 WeakPolarHBondContact OG-CB 3.39Å; S496-R498 PolarHBondContact OG-N 3.08Å; S496-Y499 WeakPolarHBondContact O-CD2 3.36Å; S496-Y499 PolarHBondContact O-N 3.47Å
497P81.4Confident83.9Confident95 Ų9537.8 Ų37.862%0.61720%0.197SC*.THydrogen-bonded Turntrans-59.1-28.7172.924.6-32.3000111.6Y499 E500 E501P497-Y499 PolarHBondContact O-N 2.85Å; P497-E500 PolarHBondContact O-N 2.85Å; P497-E501 PolarHBondContact O-N 3.37Å
498R83Confident82.4Confident27 Ų2744.1 Ų44.110%0.10223%0.225CC..Hα-helixtrans-54.3-22.1176.4-62-174.8176.3163.28.2114.4E408 V410 I488 S489 V490 S496 E501 L502E408-R498 VanDerWaalsContact CA-CZ 3.4Å; E408-R498 VanDerWaalsContact CA-NH2 3.31Å; E408-R498 VanDerWaalsContact O-CZ 3.25Å; E408-R498 PolarHBondContact O-NE 3.49Å; E408-R498 VanDerWaalsContact O-NE 3.15Å; E408-R498 PolarHBondContact O-NH2 3.35Å; E408-R498 VanDerWaalsContact O-NH2 3.14Å; E408-R498 IonicContact OE2-CZ 3.63Å; E408-R498 IonicContact OE2-NH1 3.94Å; E408-R498 IonicContact OE2-NH2 2.7Å; E408-R498 PolarHBondContact OE2-NH2 3.26Å; V410-R498 HydrophobicContact CG2-CB 3.7Å; V410-R498 HydrophobicContact CG2-CG 3.76Å; I488-R498 HydrophobicContact CG2-CB 4.44Å; S489-R498 VanDerWaalsContact C-NH1 3.26Å; S489-R498 WeakPolarHBondContact O-CD 3.45Å; S489-R498 PolarHBondContact O-NH1 3.26Å; V490-R498 HydrophobicContact CG1-CB 4.48Å; S496-R498 PolarHBondContact O-N 3.05Å; S496-R498 WeakPolarHBondContact OG-CB 3.39Å; S496-R498 PolarHBondContact OG-N 3.08Å; R498-E501 WeakPolarHBondContact CA-OE2 3.13Å; R498-L502 WeakPolarHBondContact O-CB 3.35Å; R498-L502 PolarHBondContact O-N 3.17Å
499Y85.2Confident80.8Confident6 Ų646.4 Ų46.42%0.02424%0.237CC..Hα-helixtrans-73.3-32.9176.6-58.9-27.5000113.3F423 M438 L439 I469 V490 F493 S496 P497 L503F423-Y499 HydrophobicContact CE1-CE1 4.07Å; F423-Y499 WeakPolarHBondContact CE1-OH 3.26Å; F423-Y499 HydrophobicContact CZ-CE1 4.06Å; M438-Y499 HydrophobicContact CE-CE2 4.31Å; L439-Y499 HydrophobicContact CD1-CD1 4.47Å; L439-Y499 HydrophobicContact CD1-CG 4.41Å; I469-Y499 HydrophobicContact CD1-CE1 4.48Å; I469-Y499 HydrophobicContact CG2-CE1 4.41Å; V490-Y499 HydrophobicContact CG1-CE1 4.01Å; F493-Y499 WeakPolarHBondContact CA-OH 3.45Å; F493-Y499 WeakPolarHBondContact O-CE2 3.36Å; F493-Y499 PolarHBondContact O-OH 3.33Å; S496-Y499 WeakPolarHBondContact O-CD2 3.36Å; S496-Y499 PolarHBondContact O-N 3.47Å; P497-Y499 PolarHBondContact O-N 2.85Å; Y499-L503 VanDerWaalsContact O-CB 3.27Å; Y499-L503 WeakPolarHBondContact O-CB 3.21Å; Y499-L503 PolarHBondContact O-N 3.21Å; Y499-L503 VanDerWaalsContact O-N 3.12Å
500E83.3Confident78.9Confident86 Ų8651 Ų5140%0.40226%0.261SS..Hα-helixtrans-74.4-40.7174.3-63.9-61.8160.200110.3K442 P497 L503 N504K442-E500 IonicContact NZ-OE1 3.09Å; K442-E500 PolarHBondContact NZ-OE1 3.29Å; P497-E500 PolarHBondContact O-N 2.85Å; E500-L503 PolarHBondContact O-N 2.8Å; E500-N504 WeakPolarHBondContact O-CB 3.38Å; E500-N504 VanDerWaalsContact O-CG 3.26Å; E500-N504 PolarHBondContact O-N 3.46Å; E500-N504 PolarHBondContact O-ND2 3.45Å
501E83.9Confident77Confident66 Ų6659.5 Ų59.531%0.30830%0.301SS..Hα-helixtrans-57.2-50.3172.9-66.5161.3-160.400110.9V410 P497 R498 L503 N504 N505V410-E501 HydrophobicContact CB-CB 3.88Å; V410-E501 HydrophobicContact CG1-CB 3.88Å; V410-E501 HydrophobicContact CG2-CB 4.18Å; V410-E501 WeakPolarHBondContact CG2-OE2 3.38Å; P497-E501 PolarHBondContact O-N 3.37Å; R498-E501 WeakPolarHBondContact CA-OE2 3.13Å; E501-L503 VanDerWaalsContact C-N 3.29Å; E501-L503 PolarHBondContact O-N 3.07Å; E501-N504 PolarHBondContact O-N 3.42Å; E501-N504 VanDerWaalsContact O-N 3.11Å; E501-N505 PolarHBondContact O-N 2.92Å
502L86.1Confident75Confident2 Ų261.3 Ų61.31%0.0133%0.33CS..Hα-helixtrans-60.7-40178.4-177.366.6000111.8V410 Y415 L439 L467 I469 R498 N504 N505 L506V410-L502 HydrophobicContact CG1-CB 4.06Å; V410-L502 HydrophobicContact CG1-CD1 4.35Å; Y415-L502 HydrophobicContact CD1-CD1 3.79Å; Y415-L502 HydrophobicContact CE1-CD1 3.28Å; L439-L502 HydrophobicContact CD2-CD2 4.11Å; L467-L502 HydrophobicContact CD2-CD1 3.7Å; L467-L502 HydrophobicContact CD2-CD2 4Å; L467-L502 HydrophobicContact CD2-CG 4.46Å; I469-L502 HydrophobicContact CD1-CD2 3.94Å; R498-L502 WeakPolarHBondContact O-CB 3.35Å; R498-L502 PolarHBondContact O-N 3.17Å; L502-N504 VanDerWaalsContact C-N 3.34Å; L502-N505 PolarHBondContact O-N 3.02Å; L502-L506 HydrophobicContact CD1-CD1 3.99Å; L502-L506 HydrophobicContact CD1-CG 4.28Å; L502-L506 HydrophobicContact CD2-CD1 4.46Å; L502-L506 HydrophobicContact CG-CD1 3.8Å; L502-L506 HydrophobicContact CG-CG 4.46Å; L502-L506 WeakPolarHBondContact O-CB 3.45Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 3.4Å
503L84.8Confident74.6Confident11 Ų1162.3 Ų62.36%0.05834%0.335CS..Hα-helixtrans-66.4-37177.5-171.3149.5000111.8K442 F443 A446 I448 Y499 E500 E501 K507K442-L503 HydrophobicContact CB-CD1 3.87Å; F443-L503 HydrophobicContact CD1-CD1 4.13Å; F443-L503 HydrophobicContact CE1-CB 4.48Å; A446-L503 HydrophobicContact CB-CD1 3.81Å; A446-L503 HydrophobicContact CB-CD2 3.92Å; A446-L503 HydrophobicContact CB-CG 4.09Å; I448-L503 HydrophobicContact CD1-CG 4.24Å; Y499-L503 VanDerWaalsContact O-CB 3.27Å; Y499-L503 WeakPolarHBondContact O-CB 3.21Å; Y499-L503 PolarHBondContact O-N 3.21Å; Y499-L503 VanDerWaalsContact O-N 3.12Å; E500-L503 PolarHBondContact O-N 2.8Å; E501-L503 VanDerWaalsContact C-N 3.29Å; E501-L503 PolarHBondContact O-N 3.07Å; L503-K507 HydrophobicContact CD2-CD 4.02Å; L503-K507 HydrophobicContact CD2-CG 4.48Å; L503-K507 WeakPolarHBondContact O-CB 3.35Å; L503-K507 WeakPolarHBondContact O-CG 3.45Å; L503-K507 PolarHBondContact O-N 2.94Å; L503-K507 VanDerWaalsContact O-N 3.13Å
504N83.6Confident74.1Confident83 Ų8365.6 Ų65.644%0.44435%0.353SS..Hα-helixtrans-70.3-39.6177.3-71.9-26.1000112.3E500 E501 L502 K508E500-N504 WeakPolarHBondContact O-CB 3.38Å; E500-N504 VanDerWaalsContact O-CG 3.26Å; E500-N504 PolarHBondContact O-N 3.46Å; E500-N504 PolarHBondContact O-ND2 3.45Å; E501-N504 PolarHBondContact O-N 3.42Å; E501-N504 VanDerWaalsContact O-N 3.11Å; L502-N504 VanDerWaalsContact C-N 3.34Å; N504-K508 WeakPolarHBondContact O-CG 3.45Å; N504-K508 PolarHBondContact O-N 3.45Å
505N82.5Confident73.9Confident20 Ų2067.4 Ų67.411%0.10736%0.363CS..Hα-helixtrans-70.4-43.4177.9-69.9-27.2000111.8V410 D411 Y415 E501 L502 K507 K508 D509V410-N505 PolarHBondContact O-ND2 3.4Å; D411-N505 PolarHBondContact OD1-ND2 2.96Å; D411-N505 PolarHBondContact OD1-OD1 3.45Å; Y415-N505 HydrophobicContact CD2-CB 3.75Å; Y415-N505 HydrophobicContact CE2-CB 3.9Å; E501-N505 PolarHBondContact O-N 2.92Å; L502-N505 PolarHBondContact O-N 3.02Å; N505-K507 VanDerWaalsContact C-N 3.28Å; N505-K507 PolarHBondContact O-N 3.1Å; N505-K508 PolarHBondContact O-N 2.65Å; N505-D509 PolarHBondContact O-N 3.28Å
506L80.4Confident73.7Confident6 Ų663.7 Ų63.73%0.03134%0.344CS..Hα-helixtrans-64.7-30.1176.1-68.5169.8000113.1Y415 I418 F443 I448 I451 L502Y415-L506 HydrophobicContact CD1-CD2 4.08Å; Y415-L506 HydrophobicContact CG-CD2 4.13Å; I418-L506 HydrophobicContact CB-CD2 4.39Å; F443-L506 HydrophobicContact CE1-CD1 4.22Å; F443-L506 HydrophobicContact CE2-CD1 4.24Å; F443-L506 HydrophobicContact CZ-CD1 3.54Å; I448-L506 HydrophobicContact CD1-CB 4.49Å; I451-L506 HydrophobicContact CD1-CB 4.15Å; I451-L506 HydrophobicContact CD1-CD1 3.86Å; I451-L506 HydrophobicContact CD1-CD2 3.77Å; I451-L506 HydrophobicContact CD1-CG 4.15Å; L502-L506 HydrophobicContact CD1-CD1 3.99Å; L502-L506 HydrophobicContact CD1-CG 4.28Å; L502-L506 HydrophobicContact CD2-CD1 4.46Å; L502-L506 HydrophobicContact CG-CD1 3.8Å; L502-L506 HydrophobicContact CG-CG 4.46Å; L502-L506 WeakPolarHBondContact O-CB 3.45Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 3.4Å
507K73.5Confident73.2Confident72 Ų7267.1 Ų67.131%0.31336%0.361SS..Hα-helixtrans-71.8-36.2174-86.4-171.5178.5-176.70114.2A446 I448 L503 N505 D509 D510 Q511A446-K507 VanDerWaalsContact CB-CE 3.46Å; A446-K507 VanDerWaalsContact O-CE 3.31Å; A446-K507 WeakPolarHBondContact O-CE 3.18Å; I448-K507 HydrophobicContact CD1-CG 4.07Å; I448-K507 HydrophobicContact CG1-CG 4.35Å; L503-K507 HydrophobicContact CD2-CD 4.02Å; L503-K507 HydrophobicContact CD2-CG 4.48Å; L503-K507 WeakPolarHBondContact O-CB 3.35Å; L503-K507 WeakPolarHBondContact O-CG 3.45Å; L503-K507 PolarHBondContact O-N 2.94Å; L503-K507 VanDerWaalsContact O-N 3.13Å; N505-K507 VanDerWaalsContact C-N 3.28Å; N505-K507 PolarHBondContact O-N 3.1Å; K507-D509 PolarHBondContact O-N 3.37Å; K507-D510 PolarHBondContact O-N 3.09Å; K507-Q511 PolarHBondContact O-N 2.93Å
508K61.1Low72.6Confident133 Ų13365.2 Ų65.258%0.57834%0.344SS*.Hα-helixtrans-65.4-35.2-179.1-77.1173.1-177.6171.70110.4N504 N505 Q511 A512N504-K508 WeakPolarHBondContact O-CG 3.45Å; N504-K508 PolarHBondContact O-N 3.45Å; N505-K508 PolarHBondContact O-N 2.65Å; K508-Q511 PolarHBondContact O-N 3Å; K508-A512 WeakPolarHBondContact O-CB 3.48Å; K508-A512 PolarHBondContact O-N 3.49Å; K508-A512 VanDerWaalsContact O-N 3.12Å
509D58.1Low71.9Confident51 Ų5167.9 Ų67.927%0.27336%0.361SS..Hα-helixtrans-73.8-25.7178.5-65.3-12.3000112.6Y415 N505 K507 Q511Y415-D509 WeakPolarHBondContact CB-OD2 3.34Å; N505-D509 PolarHBondContact O-N 3.28Å; K507-D509 PolarHBondContact O-N 3.37Å; D509-Q511 VanDerWaalsContact C-N 3.3Å
510D53.1Low70.9Confident98 Ų9872.7 Ų72.752%0.52439%0.387SS..THydrogen-bonded Turntrans-77-13.6170.8-85.2-16.3000113.3K507K507-D510 PolarHBondContact O-N 3.09Å
511Q49.3Very low69.8Low178 Ų17871.6 Ų71.683%0.83239%0.386SS*.THydrogen-bonded Turntrans-110.2-3.2-179.3-67-172.6-0.100113.9K507 K508 D509K507-Q511 PolarHBondContact O-N 2.93Å; K508-Q511 PolarHBondContact O-N 3Å; D509-Q511 VanDerWaalsContact C-N 3.3Å
512A41.5Very low68.5Low139 Ų13972.1 Ų72.1100%1.14939%0.393SS*.  trans-101.80174.600000110.3K508K508-A512 WeakPolarHBondContact O-CB 3.48Å; K508-A512 PolarHBondContact O-N 3.49Å; K508-A512 VanDerWaalsContact O-N 3.12Å

Retrieved 512 of 512 residues in 1242.9 ms (Link to these results)

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