A0A077ZFH3_TRITR Loading...

FLYWCH and MULE domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 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
1M68.8Low72.4Confident215 Ų215101.1 Ų101.1100%1.05947%0.467SS*.  0151.70-82.2-175.6-176.700109.5
2A82.2Confident73.4Confident29 Ų2993.9 Ų93.924%0.2444%0.436CS..  trans-81131.5175.400000110.6I14 C15 Y16 I56 I58A2-I14 HydrophobicContact CB-CG2 4.19Å; A2-C15 CarbonylContact C-O 3.57Å; A2-C15 WeakPolarHBondContact CA-O 3.41Å; A2-Y16 HydrophobicContact CB-CD2 3.7Å; A2-Y16 HydrophobicContact CB-CE2 4.49Å; A2-Y16 HydrophobicContact CB-CG 4.35Å; A2-I56 HydrophobicContact CB-CB 4.18Å; A2-I56 HydrophobicContact CB-CD1 3.84Å; A2-I56 HydrophobicContact CB-CG2 4.11Å; A2-I58 HydrophobicContact CB-CD1 4.12Å
3K82.7Confident74.6Confident120 Ų12087 Ų8752%0.52241%0.405SS..EExtended strand (participates in β ladder)trans-115131.6176.7-173.8177-179.1179.50109.5L5 C15K3-L5 HydrophobicContact CD-CD2 4.47Å; K3-C15 HydrophobicContact CB-CB 4.42Å; K3-C15 PolarHBondContact N-O 3.19Å; K3-C15 PolarHBondContact O-N 3.16Å
4V84.1Confident75.7Confident29 Ų2980.8 Ų80.818%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-90127172.6-174.10000109.8Y6 P12 I14 L53 I56V4-Y6 HydrophobicContact CG1-CD2 4.41Å; V4-Y6 HydrophobicContact CG1-CE2 3.88Å; V4-P12 HydrophobicContact CG1-CB 3.92Å; V4-I14 HydrophobicContact CG2-CG1 4.4Å; V4-L53 HydrophobicContact CG2-CB 4.24Å; V4-L53 HydrophobicContact CG2-CD2 4.2Å; V4-L53 WeakPolarHBondContact CG2-O 3.24Å; V4-I56 HydrophobicContact CG2-CD1 3.21Å; V4-I56 HydrophobicContact CG2-CG1 4.01Å
5L80.3Confident76.6Confident46 Ų4676.5 Ų76.524%0.24136%0.358CS..EExtended strand (participates in β ladder)trans-110.4165.7164.1-57.3-179.8000109K3 P12 V13 C15 A76K3-L5 HydrophobicContact CD-CD2 4.47Å; L5-P12 CarbonylContact O-C 3.4Å; L5-P12 WeakPolarHBondContact O-CA 3.37Å; L5-V13 HydrophobicContact CB-CB 4.45Å; L5-V13 PolarHBondContact N-O 2.73Å; L5-V13 PolarHBondContact O-N 2.95Å; L5-C15 WeakPolarHBondContact CD1-SG 3.47Å; L5-A76 HydrophobicContact CD1-CB 4.45Å
6Y76Confident77.3Confident132 Ų13274.1 Ų74.152%0.51835%0.345SS..EExtended strand (participates in β ladder)trans-121.3133.2174.9-68.9-92.5000110.1V4 P12V4-Y6 HydrophobicContact CG1-CD2 4.41Å; V4-Y6 HydrophobicContact CG1-CE2 3.88Å; Y6-P12 HydrophobicContact CD1-CB 4.32Å; Y6-P12 HydrophobicContact CE1-CB 4.03Å
7S68.5Low77.9Confident21 Ų2173.9 Ų73.915%0.14735%0.347CS..  trans-68.6167.5171.462.50000111.4R9 L10 K11S7-R9 PolarHBondContact O-N 3.43Å; S7-L10 WeakPolarHBondContact O-CA 3.47Å; S7-L10 PolarHBondContact O-N 3.35Å; S7-K11 PolarHBondContact N-O 3.11Å; S7-K11 WeakPolarHBondContact OG-CB 3.3Å; S7-K11 PolarHBondContact OG-N 2.75Å; S7-K11 VanDerWaalsContact OG-N 3.16Å; S7-K11 PolarHBondContact OG-O 2.9Å
8Q53.3Low78.3Confident117 Ų11770.9 Ų70.955%0.54734%0.339SS..THydrogen-bonded Turntrans-55.6-22.8175.1-68.2-173.1-18.600114.1L10 K84Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-K84 HydrophobicContact CG-CG 4.37Å
9R60.3Low78.8Confident207 Ų20768.8 Ų68.878%0.78133%0.328SS*.THydrogen-bonded Turntrans-94.819.3175.5-60.1-173.1-178.1-1782.9113S7 K11S7-R9 PolarHBondContact O-N 3.43Å; R9-K11 PolarHBondContact O-N 3.4Å
10L65.7Low79.4Confident65 Ų6565.8 Ų65.834%0.3431%0.314SS..SBendtrans54.821.2-177.2-57.7175.5000115.1S7 Q8 R420S7-L10 WeakPolarHBondContact O-CA 3.47Å; S7-L10 PolarHBondContact O-N 3.35Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; L10-R420 VanDerWaalsContact CD1-NH1 3.25Å
11K74.9Confident79.9Confident131 Ų13162.7 Ų62.757%0.5730%0.299SS*.  trans-82.4131.6171-60.2-171177.2-171.40109.1S7 R9S7-K11 PolarHBondContact N-O 3.11Å; S7-K11 WeakPolarHBondContact OG-CB 3.3Å; S7-K11 PolarHBondContact OG-N 2.75Å; S7-K11 VanDerWaalsContact OG-N 3.16Å; S7-K11 PolarHBondContact OG-O 2.9Å; R9-K11 PolarHBondContact O-N 3.4Å
12P83.9Confident81Confident15 Ų1554.4 Ų54.410%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-66.8147.9-179.728.8-35.3000111.1V4 L5 Y6 L23 W35 L53V4-P12 HydrophobicContact CG1-CB 3.92Å; L5-P12 CarbonylContact O-C 3.4Å; L5-P12 WeakPolarHBondContact O-CA 3.37Å; Y6-P12 HydrophobicContact CD1-CB 4.32Å; Y6-P12 HydrophobicContact CE1-CB 4.03Å; P12-L23 HydrophobicContact CG-CB 4.43Å; P12-L23 HydrophobicContact CG-CD2 4.27Å; P12-W35 HydrophobicContact CB-CH2 3.91Å; P12-W35 HydrophobicContact CB-CZ3 4.11Å; P12-W35 HydrophobicContact CG-CH2 3.83Å; P12-W35 HydrophobicContact CG-CZ3 4.09Å; P12-L53 HydrophobicContact CB-CD1 3.99Å; P12-L53 HydrophobicContact CG-CD1 4.07Å
13V89.4Confident81.4Confident4 Ų455.5 Ų55.52%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-131.2122.6175.2-178.20000106.9L5 C20 Y21L5-V13 HydrophobicContact CB-CB 4.45Å; L5-V13 PolarHBondContact N-O 2.73Å; L5-V13 PolarHBondContact O-N 2.95Å; V13-C20 HydrophobicContact CG1-CB 4.14Å; V13-Y21 CarbonylContact C-O 3.52Å; V13-Y21 VanDerWaalsContact CA-O 3.29Å; V13-Y21 WeakPolarHBondContact CA-O 3.45Å; V13-Y21 WeakPolarHBondContact CG1-O 3.27Å
14I89.6Confident81.8Confident0 Ų054.2 Ų54.20%026%0.255CS..EExtended strand (participates in β ladder)trans-90.1129.8175.9-71-175.9000109.1A2 V4 C20 Y21 W35 L47 T49 I56A2-I14 HydrophobicContact CB-CG2 4.19Å; V4-I14 HydrophobicContact CG2-CG1 4.4Å; I14-C20 CarbonylContact O-C 3.55Å; I14-C20 VanDerWaalsContact O-CA 3.29Å; I14-C20 WeakPolarHBondContact O-CA 3.47Å; I14-Y21 PolarHBondContact N-O 3.19Å; I14-Y21 PolarHBondContact O-N 2.93Å; I14-W35 HydrophobicContact CB-CE3 4.32Å; I14-W35 HydrophobicContact CB-CZ3 4.46Å; I14-W35 HydrophobicContact CD1-CD2 3.77Å; I14-W35 HydrophobicContact CD1-CE3 4.1Å; I14-W35 HydrophobicContact CD1-CG 4.44Å; I14-W35 HydrophobicContact CD1-CH2 3.72Å; I14-W35 HydrophobicContact CD1-CZ2 3.29Å; I14-W35 HydrophobicContact CD1-CZ3 4.09Å; I14-W35 HydrophobicContact CG1-CD2 4.13Å; I14-W35 HydrophobicContact CG1-CE3 3.94Å; I14-W35 HydrophobicContact CG1-CH2 3.68Å; I14-W35 HydrophobicContact CG1-CZ2 3.83Å; I14-W35 HydrophobicContact CG1-CZ3 3.73Å; I14-L47 HydrophobicContact CB-CD2 4.36Å; I14-L47 HydrophobicContact CD1-CD2 4.33Å; I14-L47 HydrophobicContact CG2-CD2 3.71Å; I14-T49 HydrophobicContact CD1-CG2 3.68Å; I14-I56 HydrophobicContact CD1-CD1 3.78Å; I14-I56 HydrophobicContact CD1-CG1 4.49Å; I14-I56 HydrophobicContact CD1-CG2 4.26Å; I14-I56 HydrophobicContact CG1-CD1 3.98Å
15C89.6Confident82.1Confident16 Ų1654.8 Ų54.811%0.10826%0.26CS..EExtended strand (participates in β ladder)trans-101.3120.1165.3-58.10000108.3A2 K3 L5 Y19A2-C15 CarbonylContact C-O 3.57Å; A2-C15 WeakPolarHBondContact CA-O 3.41Å; K3-C15 HydrophobicContact CB-CB 4.42Å; K3-C15 PolarHBondContact N-O 3.19Å; K3-C15 PolarHBondContact O-N 3.16Å; L5-C15 WeakPolarHBondContact CD1-SG 3.47Å; C15-Y19 CarbonylContact C-O 3.57Å; C15-Y19 VanDerWaalsContact CA-O 3.31Å; C15-Y19 WeakPolarHBondContact CA-O 3.38Å
16Y88.5Confident82.6Confident39 Ų3956.5 Ų56.515%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-148.9130.1-177.4-177.9-110.8000109.7A2 G18 Y19 L47 I58 D61A2-Y16 HydrophobicContact CB-CD2 3.7Å; A2-Y16 HydrophobicContact CB-CE2 4.49Å; A2-Y16 HydrophobicContact CB-CG 4.35Å; Y16-G18 VanDerWaalsContact C-N 3.29Å; Y16-G18 PolarHBondContact O-N 2.94Å; Y16-Y19 PolarHBondContact N-O 2.85Å; Y16-Y19 PolarHBondContact O-N 3.15Å; Y16-L47 HydrophobicContact CD1-CD1 3.82Å; Y16-L47 HydrophobicContact CE1-CD1 4.18Å; Y16-I58 HydrophobicContact CD2-CD1 4.35Å; Y16-I58 HydrophobicContact CD2-CG1 4.35Å; Y16-I58 HydrophobicContact CE1-CG1 4.35Å; Y16-I58 HydrophobicContact CE1-CG2 4.44Å; Y16-I58 HydrophobicContact CE2-CD1 4.4Å; Y16-I58 HydrophobicContact CE2-CG1 3.91Å; Y16-I58 HydrophobicContact CG-CD1 4.45Å; Y16-D61 HydrophobicContact CE1-CB 4.48Å; Y16-D61 WeakPolarHBondContact CE1-OD1 3.45Å; Y16-D61 WeakPolarHBondContact CE1-OD2 3.05Å; Y16-D61 PolarHBondContact OH-OD2 3.37Å
17N87.1Confident83.3Confident71 Ų7151.5 Ų51.538%0.3825%0.248SC..THydrogen-bonded Turntrans48.343.2-178.1-64.1-13000114.3Y19 D61 T63N17-Y19 VanDerWaalsContact C-N 3.27Å; N17-Y19 WeakPolarHBondContact O-CD2 3.48Å; N17-Y19 WeakPolarHBondContact O-CE2 3.27Å; N17-Y19 PolarHBondContact O-N 3.33Å; N17-D61 PolarHBondContact ND2-OD2 2.85Å; N17-T63 HydrophobicContact CB-CG2 3.56Å; N17-T63 PolarHBondContact ND2-OG1 3.27Å; N17-T63 VanDerWaalsContact ND2-OG1 3.15Å
18G84.2Confident84Confident19 Ų1955.3 Ų55.320%0.19628%0.281CS..THydrogen-bonded Turntrans75.87.4-179.200000115.3Y16 C71Y16-G18 VanDerWaalsContact C-N 3.29Å; Y16-G18 PolarHBondContact O-N 2.94Å; G18-C71 PolarHBondContact O-N 3.43Å
19Y89Confident85.5Confident32 Ų3255.5 Ų55.513%0.12529%0.286CS..EExtended strand (participates in β ladder)trans-118.3148.3178.7-60.1-70.1000112.3C15 Y16 N17 T63 H66 H68 A70C15-Y19 CarbonylContact C-O 3.57Å; C15-Y19 VanDerWaalsContact CA-O 3.31Å; C15-Y19 WeakPolarHBondContact CA-O 3.38Å; Y16-Y19 PolarHBondContact N-O 2.85Å; Y16-Y19 PolarHBondContact O-N 3.15Å; N17-Y19 VanDerWaalsContact C-N 3.27Å; N17-Y19 WeakPolarHBondContact O-CD2 3.48Å; N17-Y19 WeakPolarHBondContact O-CE2 3.27Å; N17-Y19 PolarHBondContact O-N 3.33Å; Y19-T63 HydrophobicContact CD2-CG2 3.86Å; Y19-T63 HydrophobicContact CE2-CG2 3.62Å; Y19-H66 HydrophobicContact CD1-CB 4.26Å; Y19-H66 AromaticContact CD1-CD2 3.92Å; Y19-H66 AromaticContact CD1-CE1 3.41Å; Y19-H66 VanDerWaalsContact CD1-CE1 3.41Å; Y19-H66 WeakPolarHBondContact CD1-CE1 3.4Å; Y19-H66 AromaticContact CD1-CG 3.55Å; Y19-H66 AromaticContact CD1-ND1 3.23Å; Y19-H66 WeakPolarHBondContact CD1-ND1 3.46Å; Y19-H66 AromaticContact CD1-NE2 3.85Å; Y19-H66 AromaticContact CD2-CD2 3.65Å; Y19-H66 AromaticContact CD2-NE2 3.81Å; Y19-H66 HydrophobicContact CE1-CB 3.64Å; Y19-H66 AromaticContact CE1-CG 3.44Å; Y19-H66 VanDerWaalsContact CE1-CG 3.44Å; Y19-H66 AromaticContact CE1-ND1 3.49Å; Y19-H66 WeakPolarHBondContact CE1-ND1 3.47Å; Y19-H66 HydrophobicContact CE2-CB 4.22Å; Y19-H66 AromaticContact CE2-CD2 3.87Å; Y19-H66 AromaticContact CE2-CG 3.96Å; Y19-H66 AromaticContact CG-CD2 3.67Å; Y19-H66 AromaticContact CG-CE1 3.43Å; Y19-H66 VanDerWaalsContact CG-CE1 3.43Å; Y19-H66 AromaticContact CG-CG 3.81Å; Y19-H66 AromaticContact CG-ND1 3.68Å; Y19-H66 AromaticContact CG-NE2 3.45Å; Y19-H66 AromaticContact CZ-CG 3.67Å; Y19-H68 AromaticContact CD1-CE1 3.54Å; Y19-H68 AromaticContact CE1-CE1 3.71Å; Y19-H68 AromaticContact CE1-ND1 3.84Å; Y19-H68 WeakPolarHBondContact CE1-O 3.38Å; Y19-H68 PolarHBondContact OH-O 3Å; Y19-A70 HydrophobicContact CE1-CB 4.01Å; Y19-A70 HydrophobicContact CE2-CB 4.25Å; Y19-A70 PolarHBondContact OH-N 2.93Å
20C89.4Confident86.5Confident8 Ų854.3 Ų54.35%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-109.4137.6176.1-59.20000111.6V13 I14 I38 I79V13-C20 HydrophobicContact CG1-CB 4.14Å; I14-C20 CarbonylContact O-C 3.55Å; I14-C20 VanDerWaalsContact O-CA 3.29Å; I14-C20 WeakPolarHBondContact O-CA 3.47Å; C20-I38 HydrophobicContact CB-CB 4.26Å; C20-I38 HydrophobicContact CB-CG2 3.91Å; C20-I38 PolarHBondContact O-N 2.92Å; C20-I79 VanDerWaalsContact SG-CD1 3.57Å
21Y91.7Very high87.5Confident0 Ų056.9 Ų56.90%029%0.291CS..EExtended strand (participates in β ladder)trans-129134.1-177.4-52.9-101.6000111.1V13 I14 R36 L47 H66V13-Y21 CarbonylContact C-O 3.52Å; V13-Y21 VanDerWaalsContact CA-O 3.29Å; V13-Y21 WeakPolarHBondContact CA-O 3.45Å; V13-Y21 WeakPolarHBondContact CG1-O 3.27Å; I14-Y21 PolarHBondContact N-O 3.19Å; I14-Y21 PolarHBondContact O-N 2.93Å; Y21-R36 CarbonylContact C-O 3.51Å; Y21-R36 VanDerWaalsContact CA-O 3.24Å; Y21-R36 WeakPolarHBondContact CA-O 3.5Å; Y21-L47 HydrophobicContact CD1-CB 3.77Å; Y21-L47 HydrophobicContact CD2-CB 4.46Å; Y21-L47 HydrophobicContact CD2-CD2 4.08Å; Y21-L47 HydrophobicContact CE1-CB 3.83Å; Y21-L47 HydrophobicContact CE2-CD2 4.29Å; Y21-L47 HydrophobicContact CG-CB 4.1Å; Y21-L47 HydrophobicContact CG-CD2 4.34Å; Y21-H66 AromaticContact CE1-NE2 3.43Å; Y21-H66 WeakPolarHBondContact CE1-NE2 3.48Å; Y21-H66 AromaticContact CZ-NE2 3.29Å; Y21-H66 VanDerWaalsContact CZ-NE2 3.29Å; Y21-H66 PolarHBondContact OH-NE2 3.22Å
22H90.4Very high88.2Confident41 Ų4156.1 Ų56.119%0.1929%0.285CS..EExtended strand (participates in β ladder)trans-94.3146.1170.3-75.5-86.1000111.1H24 W35 R36 I38H22-H24 PolarHBondContact O-N 3.13Å; H22-W35 CarbonylContact O-C 3.46Å; H22-W35 VanDerWaalsContact O-CA 3.25Å; H22-W35 WeakPolarHBondContact O-CA 3.44Å; H22-R36 PolarHBondContact N-O 2.92Å; H22-R36 PolarHBondContact O-N 3.47Å; H22-I38 VanDerWaalsContact CD2-CG1 3.49Å; H22-I38 WeakPolarHBondContact CD2-CG1 3.46Å; H22-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H22-I38 WeakPolarHBondContact NE2-CG1 3.17Å
23L91.1Very high88.7Confident53 Ų5357.3 Ų57.328%0.27729%0.287SS..EExtended strand (participates in β ladder)trans-61.1122.6172.3-175.865.4000109.8P12 F26 R33 W35P12-L23 HydrophobicContact CG-CB 4.43Å; P12-L23 HydrophobicContact CG-CD2 4.27Å; L23-F26 HydrophobicContact CD1-CZ 4.49Å; L23-F26 HydrophobicContact CD2-CE2 4.05Å; L23-F26 HydrophobicContact CD2-CZ 3.91Å; L23-R33 HydrophobicContact CD1-CB 3.8Å; L23-R33 HydrophobicContact CD1-CG 4.07Å; L23-W35 HydrophobicContact CB-CD2 4.48Å; L23-W35 HydrophobicContact CB-CE3 3.88Å; L23-W35 HydrophobicContact CB-CH2 4.22Å; L23-W35 HydrophobicContact CB-CZ3 3.72Å; L23-W35 HydrophobicContact CD1-CD2 4.2Å; L23-W35 HydrophobicContact CD1-CE3 4.4Å; L23-W35 HydrophobicContact CD1-CH2 4.24Å; L23-W35 HydrophobicContact CD1-CZ2 4.07Å; L23-W35 HydrophobicContact CD1-CZ3 4.4Å
24H90.4Very high88.9Confident92 Ų9261.2 Ų61.243%0.42630%0.303SS..EExtended strand (participates in β ladder)trans-101.4-52.3179.5173-93.4000111.7H22 Y34 R36H22-H24 PolarHBondContact O-N 3.13Å; H24-Y34 WeakPolarHBondContact CA-O 3.43Å; H24-Y34 WeakPolarHBondContact CB-O 3.42Å; H24-Y34 PolarHBondContact N-O 2.93Å; H24-R36 HydrophobicContact CB-CB 4.47Å; H24-R36 HydrophobicContact CB-CG 3.83Å; H24-R36 VanDerWaalsContact CD2-CD 3.48Å; H24-R36 WeakPolarHBondContact CD2-CD 3.43Å; H24-R36 PolarHBondContact CD2-NE 3.34Å; H24-R36 VanDerWaalsContact CE1-CZ 3.46Å; H24-R36 PolarHBondContact CE1-NH2 3.45Å; H24-R36 VanDerWaalsContact CG-NE 3.34Å; H24-R36 PolarHBondContact NE2-NE 3.28Å; H24-R36 PolarHBondContact NE2-NH1 3.14Å; H24-R36 PolarHBondContact NE2-NH2 3.05Å
25S90.6Very high89.1Confident41 Ų4161.2 Ų61.229%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-161.4179-176.657.40000111.2Y34S25-Y34 PolarHBondContact N-O 3.24Å; S25-Y34 PolarHBondContact O-N 3.09Å; S25-Y34 WeakPolarHBondContact OG-CD2 3.49Å
26F90.8Very high89.3Confident82 Ų8264.6 Ų64.636%0.3631%0.313SS..EExtended strand (participates in β ladder)trans-114.5163.2170.9-62.3-99.1000109.5L23 R30 R32 R33 L51L23-F26 HydrophobicContact CD1-CZ 4.49Å; L23-F26 HydrophobicContact CD2-CE2 4.05Å; L23-F26 HydrophobicContact CD2-CZ 3.91Å; F26-R30 HydrophobicContact CB-CG 4.27Å; F26-R32 VanDerWaalsContact CA-O 3.26Å; F26-R32 WeakPolarHBondContact CA-O 3.49Å; F26-R33 HydrophobicContact CD1-CG 3.87Å; F26-R33 HydrophobicContact CE1-CG 3.6Å; F26-R33 HydrophobicContact CZ-CG 4.46Å; F26-L51 HydrophobicContact CD1-CD2 4.38Å; F26-L51 HydrophobicContact CE1-CD2 4.23Å
27N90.5Very high89.5Confident27 Ų2762.8 Ų62.814%0.14431%0.306CS..  trans-69.4167.5164.170.7-28.3000110.8N29 R30 E31 R32 Y34N27-N29 VanDerWaalsContact C-N 3.27Å; N27-N29 PolarHBondContact O-N 3.35Å; N27-R30 PolarHBondContact O-N 3.19Å; N27-R30 VanDerWaalsContact OD1-CA 3.28Å; N27-R30 WeakPolarHBondContact OD1-CA 3.4Å; N27-R30 PolarHBondContact OD1-N 2.98Å; N27-R30 VanDerWaalsContact OD1-N 3.1Å; N27-E31 PolarHBondContact OD1-N 2.77Å; N27-R32 HydrophobicContact CB-CB 4.25Å; N27-R32 PolarHBondContact N-O 3.4Å; N27-R32 PolarHBondContact OD1-N 3.49Å; N27-R32 PolarHBondContact OD1-O 3.39Å; N27-Y34 HydrophobicContact CB-CE2 3.9Å
28A82.8Confident89.4Confident102 Ų10261.5 Ų61.584%0.84330%0.299SS*.THydrogen-bonded Turntrans-54.2-43.3-176.300000112.6R30A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 3.27Å
29N85.3Confident89.5Confident120 Ų12064.8 Ų64.864%0.64231%0.308SS*.THydrogen-bonded Turntrans-82.20.4-179.5-57.55.7000113.4N27 E31N27-N29 VanDerWaalsContact C-N 3.27Å; N27-N29 PolarHBondContact O-N 3.35Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 HydrophobicContact CB-CG 4.25Å; N29-E31 PolarHBondContact O-N 3.23Å
30R81.5Confident89.4Confident183 Ų18371 Ų7169%0.69133%0.331SS*.SBendtrans55.130.1-176-62.2-174.4170.8-170.8-0.1115.6F26 N27 A28 L51F26-R30 HydrophobicContact CB-CG 4.27Å; N27-R30 PolarHBondContact O-N 3.19Å; N27-R30 VanDerWaalsContact OD1-CA 3.28Å; N27-R30 WeakPolarHBondContact OD1-CA 3.4Å; N27-R30 PolarHBondContact OD1-N 2.98Å; N27-R30 VanDerWaalsContact OD1-N 3.1Å; A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 3.27Å; R30-L51 VanDerWaalsContact O-CD1 3.26Å; R30-L51 WeakPolarHBondContact O-CD1 3.39Å; R30-L51 WeakPolarHBondContact O-CD2 3.33Å; R30-L51 WeakPolarHBondContact O-CG 3.22Å
31E86Confident89.1Confident118 Ų11880.6 Ų80.655%0.55137%0.371SS*.SBendtrans-92.9-13.7175.3-65.117216100113.3N27 N29N27-E31 PolarHBondContact OD1-N 2.77Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 HydrophobicContact CB-CG 4.25Å; N29-E31 PolarHBondContact O-N 3.23Å
32R90.9Very high88.9Confident116 Ų11685.7 Ų85.744%0.43840%0.398SS..  trans-132142.4-177.4-55.2-174.9-176.6179.9-0110.8F26 N27 T48 T49 I59F26-R32 VanDerWaalsContact CA-O 3.26Å; F26-R32 WeakPolarHBondContact CA-O 3.49Å; N27-R32 HydrophobicContact CB-CB 4.25Å; N27-R32 PolarHBondContact N-O 3.4Å; N27-R32 PolarHBondContact OD1-N 3.49Å; N27-R32 PolarHBondContact OD1-O 3.39Å; R32-T48 HydrophobicContact CB-CG2 4.13Å; R32-T49 WeakPolarHBondContact CA-O 3.34Å; R32-I59 HydrophobicContact CB-CD1 4.29Å; R32-I59 HydrophobicContact CG-CD1 3.66Å
33R93.6Very high88.8Confident39 Ų3984 Ų8415%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-103129.5173.5-64.7177.3-175.1-109.24.8109.7L23 F26 W35 T48 T49 L51L23-R33 HydrophobicContact CD1-CB 3.8Å; L23-R33 HydrophobicContact CD1-CG 4.07Å; F26-R33 HydrophobicContact CD1-CG 3.87Å; F26-R33 HydrophobicContact CE1-CG 3.6Å; F26-R33 HydrophobicContact CZ-CG 4.46Å; R33-W35 HydrophobicContact CB-CZ2 4.03Å; R33-W35 VanDerWaalsContact CB-NE1 3.33Å; R33-W35 VanDerWaalsContact CD-CZ2 3.47Å; R33-W35 HydrophobicContact CG-CZ2 4.39Å; R33-W35 PolarHBondContact O-NE1 3.26Å; R33-T48 CarbonylContact O-C 3.6Å; R33-T48 WeakPolarHBondContact O-CA 3.46Å; R33-T49 PolarHBondContact N-O 3Å; R33-T49 PolarHBondContact O-N 2.91Å; R33-L51 PolarHBondContact NE-O 2.75Å; R33-L51 PolarHBondContact NH2-O 3.38Å
34Y94Very high88.7Confident87 Ų8790 Ų9034%0.34141%0.414SS..EExtended strand (participates in β ladder)trans-98.8129.6170.8-59.7-62.2000109.8H24 S25 N27 T48H24-Y34 WeakPolarHBondContact CA-O 3.43Å; H24-Y34 WeakPolarHBondContact CB-O 3.42Å; H24-Y34 PolarHBondContact N-O 2.93Å; S25-Y34 PolarHBondContact N-O 3.24Å; S25-Y34 PolarHBondContact O-N 3.09Å; S25-Y34 WeakPolarHBondContact OG-CD2 3.49Å; N27-Y34 HydrophobicContact CB-CE2 3.9Å; Y34-T48 HydrophobicContact CD1-CG2 3.89Å; Y34-T48 HydrophobicContact CE1-CG2 3.84Å
35W94.5Very high88.8Confident0 Ų085.7 Ų85.70%040%0.395CS..EExtended strand (participates in β ladder)trans-120.2150.8-179.7-46.477.1000110.1P12 I14 H22 L23 R33 R46 L47 T49 L53P12-W35 HydrophobicContact CB-CH2 3.91Å; P12-W35 HydrophobicContact CB-CZ3 4.11Å; P12-W35 HydrophobicContact CG-CH2 3.83Å; P12-W35 HydrophobicContact CG-CZ3 4.09Å; I14-W35 HydrophobicContact CB-CE3 4.32Å; I14-W35 HydrophobicContact CB-CZ3 4.46Å; I14-W35 HydrophobicContact CD1-CD2 3.77Å; I14-W35 HydrophobicContact CD1-CE3 4.1Å; I14-W35 HydrophobicContact CD1-CG 4.44Å; I14-W35 HydrophobicContact CD1-CH2 3.72Å; I14-W35 HydrophobicContact CD1-CZ2 3.29Å; I14-W35 HydrophobicContact CD1-CZ3 4.09Å; I14-W35 HydrophobicContact CG1-CD2 4.13Å; I14-W35 HydrophobicContact CG1-CE3 3.94Å; I14-W35 HydrophobicContact CG1-CH2 3.68Å; I14-W35 HydrophobicContact CG1-CZ2 3.83Å; I14-W35 HydrophobicContact CG1-CZ3 3.73Å; H22-W35 CarbonylContact O-C 3.46Å; H22-W35 VanDerWaalsContact O-CA 3.25Å; H22-W35 WeakPolarHBondContact O-CA 3.44Å; L23-W35 HydrophobicContact CB-CD2 4.48Å; L23-W35 HydrophobicContact CB-CE3 3.88Å; L23-W35 HydrophobicContact CB-CH2 4.22Å; L23-W35 HydrophobicContact CB-CZ3 3.72Å; L23-W35 HydrophobicContact CD1-CD2 4.2Å; L23-W35 HydrophobicContact CD1-CE3 4.4Å; L23-W35 HydrophobicContact CD1-CH2 4.24Å; L23-W35 HydrophobicContact CD1-CZ2 4.07Å; L23-W35 HydrophobicContact CD1-CZ3 4.4Å; R33-W35 HydrophobicContact CB-CZ2 4.03Å; R33-W35 VanDerWaalsContact CB-NE1 3.33Å; R33-W35 VanDerWaalsContact CD-CZ2 3.47Å; R33-W35 HydrophobicContact CG-CZ2 4.39Å; R33-W35 PolarHBondContact O-NE1 3.26Å; W35-R46 VanDerWaalsContact O-CA 3.27Å; W35-R46 WeakPolarHBondContact O-CA 3.13Å; W35-R46 WeakPolarHBondContact O-CB 3.39Å; W35-L47 HydrophobicContact CB-CB 4.11Å; W35-L47 PolarHBondContact N-O 3.42Å; W35-L47 PolarHBondContact O-N 2.47Å; W35-T49 PolarHBondContact NE1-OG1 2.72Å; W35-L53 HydrophobicContact CH2-CD2 3.77Å; W35-L53 HydrophobicContact CZ2-CD2 3.78Å
36R93.5Very high89Confident86 Ų8690.8 Ų90.833%0.32541%0.407SS..EExtended strand (participates in β ladder)trans-124.5145.5175.7-70-177.8-179.4-177.91.7109.7Y21 H22 H24 I38 R46Y21-R36 CarbonylContact C-O 3.51Å; Y21-R36 VanDerWaalsContact CA-O 3.24Å; Y21-R36 WeakPolarHBondContact CA-O 3.5Å; H22-R36 PolarHBondContact N-O 2.92Å; H22-R36 PolarHBondContact O-N 3.47Å; H24-R36 HydrophobicContact CB-CB 4.47Å; H24-R36 HydrophobicContact CB-CG 3.83Å; H24-R36 VanDerWaalsContact CD2-CD 3.48Å; H24-R36 WeakPolarHBondContact CD2-CD 3.43Å; H24-R36 PolarHBondContact CD2-NE 3.34Å; H24-R36 VanDerWaalsContact CE1-CZ 3.46Å; H24-R36 PolarHBondContact CE1-NH2 3.45Å; H24-R36 VanDerWaalsContact CG-NE 3.34Å; H24-R36 PolarHBondContact NE2-NE 3.28Å; H24-R36 PolarHBondContact NE2-NH1 3.14Å; H24-R36 PolarHBondContact NE2-NH2 3.05Å; R36-I38 PolarHBondContact O-N 3.31Å; R36-R46 HydrophobicContact CG-CG 4.31Å
37C92.5Very high89.1Confident1 Ų186.9 Ų86.91%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-50.1140.2174.9178.40000112K39 R40 C43 A45 H66 H68C37-K39 PolarHBondContact O-N 2.7Å; C37-K39 PolarHBondContact SG-N 3.29Å; C37-R40 WeakPolarHBondContact O-CB 3.48Å; C37-R40 PolarHBondContact O-N 3.25Å; C37-R40 VanDerWaalsContact O-N 3.16Å; C37-C43 HydrophobicContact CB-CB 4.09Å; C37-A45 HydrophobicContact CB-CB 4.3Å; C37-A45 PolarHBondContact N-O 3.28Å; C37-H66 PolarHBondContact SG-CE1 2.99Å; C37-H68 PolarHBondContact SG-NE2 3.24Å
38I85.1Confident89.3Confident45 Ų4586.3 Ų86.323%0.23139%0.388CS..THydrogen-bonded Turntrans-58.9-35.7175.9-166.3157.6000112.5C20 H22 R36 R40 I79 L83C20-I38 HydrophobicContact CB-CB 4.26Å; C20-I38 HydrophobicContact CB-CG2 3.91Å; C20-I38 PolarHBondContact O-N 2.92Å; H22-I38 VanDerWaalsContact CD2-CG1 3.49Å; H22-I38 WeakPolarHBondContact CD2-CG1 3.46Å; H22-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H22-I38 WeakPolarHBondContact NE2-CG1 3.17Å; R36-I38 PolarHBondContact O-N 3.31Å; I38-R40 PolarHBondContact O-N 2.75Å; I38-I79 HydrophobicContact CD1-CG2 4.18Å; I38-L83 HydrophobicContact CD1-CD1 4.12Å; I38-L83 HydrophobicContact CD1-CD2 4.49Å
39K85.1Confident89.9Confident88 Ų8881.4 Ų81.438%0.38335%0.348SS..THydrogen-bonded Turntrans-81.937174.8-60.3-171.4-178.1175.90112.3C37 K41 I42 C43C37-K39 PolarHBondContact O-N 2.7Å; C37-K39 PolarHBondContact SG-N 3.29Å; K39-K41 PolarHBondContact O-N 3.05Å; K39-I42 HydrophobicContact CB-CD1 4.41Å; K39-I42 HydrophobicContact CB-CG1 3.99Å; K39-I42 HydrophobicContact CD-CD1 4.33Å; K39-I42 WeakPolarHBondContact O-CG1 3.33Å; K39-I42 PolarHBondContact O-N 3.43Å; K39-C43 HydrophobicContact CB-CB 4.37Å; K39-C43 WeakPolarHBondContact O-CB 3.34Å; K39-C43 PolarHBondContact O-N 2.92Å
40R86.8Confident90.1Very high162 Ų16276.1 Ų76.161%0.61132%0.321SS*.THydrogen-bonded Turntrans-53.9-17.7-176.663.1-179.5179.1-85.90.3116.3C37 I38 I42 C43C37-R40 WeakPolarHBondContact O-CB 3.48Å; C37-R40 PolarHBondContact O-N 3.25Å; C37-R40 VanDerWaalsContact O-N 3.16Å; I38-R40 PolarHBondContact O-N 2.75Å; R40-I42 VanDerWaalsContact C-N 3.3Å; R40-C43 WeakPolarHBondContact CA-O 3.34Å
41K83.5Confident90.4Very high209 Ų20971.3 Ų71.391%0.90931%0.309SS*.THydrogen-bonded Turntrans-67.9-31173.6-69.5-171.3177-175.90112.3K39K39-K41 PolarHBondContact O-N 3.05Å
42I88.3Confident90.4Very high108 Ų10869.4 Ų69.455%0.55430%0.303SS*.THydrogen-bonded Turntrans-123.9-1.9-176.662.7168.6000113.2K39 R40 Q67K39-I42 HydrophobicContact CB-CD1 4.41Å; K39-I42 HydrophobicContact CB-CG1 3.99Å; K39-I42 HydrophobicContact CD-CD1 4.33Å; K39-I42 WeakPolarHBondContact O-CG1 3.33Å; K39-I42 PolarHBondContact O-N 3.43Å; R40-I42 VanDerWaalsContact C-N 3.3Å; I42-Q67 PolarHBondContact O-OE1 3.08Å
43C87.7Confident90Very high5 Ų565.4 Ų65.43%0.03429%0.29CS..  trans-136.9126.3-172.7-170.10000111.4C37 K39 R40 H66 H68C37-C43 HydrophobicContact CB-CB 4.09Å; K39-C43 HydrophobicContact CB-CB 4.37Å; K39-C43 WeakPolarHBondContact O-CB 3.34Å; K39-C43 PolarHBondContact O-N 2.92Å; R40-C43 WeakPolarHBondContact CA-O 3.34Å; C43-H66 PolarHBondContact SG-ND1 2.9Å; C43-H66 VanDerWaalsContact SG-ND1 3.42Å; C43-H68 VanDerWaalsContact SG-CD2 3.54Å; C43-H68 PolarHBondContact SG-NE2 3.39Å; C43-H68 VanDerWaalsContact SG-NE2 3.44Å
44K90Very high89.4Confident180 Ų18073 Ų7378%0.78332%0.324SS*.  trans-96.91.7178.6-65.6-177.1-178.7176.20114.2R46K44-R46 WeakPolarHBondContact O-CG 3.48Å
45A92Very high88.9Confident1 Ų176.1 Ų76.11%0.00834%0.342CS..  trans-56.2141.8179.900000112.8C37 H66C37-A45 HydrophobicContact CB-CB 4.3Å; C37-A45 PolarHBondContact N-O 3.28Å; A45-H66 HydrophobicContact CB-CB 4.49Å; A45-H66 WeakPolarHBondContact CB-CD2 3.45Å; A45-H66 VanDerWaalsContact CB-NE2 3.33Å; A45-H66 WeakPolarHBondContact CB-NE2 3.34Å
46R94Very high88.5Confident147 Ų14777.8 Ų77.856%0.55535%0.35SS*.EExtended strand (participates in β ladder)trans-133.2153.7-177.7-62-170179.1168.61.2110.1W35 R36 K44 G62W35-R46 VanDerWaalsContact O-CA 3.27Å; W35-R46 WeakPolarHBondContact O-CA 3.13Å; W35-R46 WeakPolarHBondContact O-CB 3.39Å; R36-R46 HydrophobicContact CG-CG 4.31Å; K44-R46 WeakPolarHBondContact O-CG 3.48Å; R46-G62 WeakPolarHBondContact O-CA 3.43Å; R46-G62 PolarHBondContact O-N 3.37Å
47L93.7Very high88.4Confident0 Ų078.1 Ų78.10%036%0.362CS..EExtended strand (participates in β ladder)trans-129.1142.7173.7-172.679.9000107.5I14 Y16 Y21 W35 T49 I58 T60I14-L47 HydrophobicContact CB-CD2 4.36Å; I14-L47 HydrophobicContact CD1-CD2 4.33Å; I14-L47 HydrophobicContact CG2-CD2 3.71Å; Y16-L47 HydrophobicContact CD1-CD1 3.82Å; Y16-L47 HydrophobicContact CE1-CD1 4.18Å; Y21-L47 HydrophobicContact CD1-CB 3.77Å; Y21-L47 HydrophobicContact CD2-CB 4.46Å; Y21-L47 HydrophobicContact CD2-CD2 4.08Å; Y21-L47 HydrophobicContact CE1-CB 3.83Å; Y21-L47 HydrophobicContact CE2-CD2 4.29Å; Y21-L47 HydrophobicContact CG-CB 4.1Å; Y21-L47 HydrophobicContact CG-CD2 4.34Å; W35-L47 HydrophobicContact CB-CB 4.11Å; W35-L47 PolarHBondContact N-O 3.42Å; W35-L47 PolarHBondContact O-N 2.47Å; L47-T49 HydrophobicContact CD2-CG2 3.9Å; L47-T49 HydrophobicContact CG-CG2 4.14Å; L47-I58 HydrophobicContact CD1-CD1 4.17Å; L47-I58 HydrophobicContact CD1-CG2 3.95Å; L47-I58 HydrophobicContact CD2-CD1 3.99Å; L47-I58 HydrophobicContact CG-CD1 4.3Å; L47-T60 WeakPolarHBondContact CD1-O 3.36Å
48T94.6Very high88.4Confident15 Ų1580.4 Ų80.49%0.09237%0.373CS..EExtended strand (participates in β ladder)trans-118.7131.6171.5-52.70000108.7R32 R33 Y34 I59 T60R32-T48 HydrophobicContact CB-CG2 4.13Å; R33-T48 CarbonylContact O-C 3.6Å; R33-T48 WeakPolarHBondContact O-CA 3.46Å; Y34-T48 HydrophobicContact CD1-CG2 3.89Å; Y34-T48 HydrophobicContact CE1-CG2 3.84Å; T48-I59 HydrophobicContact CG2-CB 4.07Å; T48-I59 HydrophobicContact CG2-CD1 4.44Å; T48-I59 HydrophobicContact CG2-CG2 4.31Å; T48-I59 PolarHBondContact O-N 3.46Å; T48-T60 PolarHBondContact N-O 3.26Å; T48-T60 PolarHBondContact O-N 3.26Å; T48-T60 VanDerWaalsContact O-N 3.15Å
49T94.2Very high88.6Confident0 Ų081.7 Ų81.70%038%0.38CS..EExtended strand (participates in β ladder)trans-129.1164.8178.872.70000112.2I14 R32 R33 W35 L47 I56 T57 I58I14-T49 HydrophobicContact CD1-CG2 3.68Å; R32-T49 WeakPolarHBondContact CA-O 3.34Å; R33-T49 PolarHBondContact N-O 3Å; R33-T49 PolarHBondContact O-N 2.91Å; W35-T49 PolarHBondContact NE1-OG1 2.72Å; L47-T49 HydrophobicContact CD2-CG2 3.9Å; L47-T49 HydrophobicContact CG-CG2 4.14Å; T49-I56 HydrophobicContact CG2-CG2 3.71Å; T49-T57 CarbonylContact C-O 3.58Å; T49-T57 WeakPolarHBondContact CA-O 3.33Å; T49-T57 WeakPolarHBondContact CB-O 3.49Å; T49-I58 HydrophobicContact CG2-CD1 3.75Å
50G91.5Very high88.9Confident9 Ų981 Ų819%0.09338%0.383CS..  trans-62-179.3162.600000112.8T57G50-T57 PolarHBondContact N-O 2.91Å
51L86.1Confident89Confident82 Ų8276.9 Ų76.943%0.42937%0.373SS..SBendtrans-77-35.4-177-88175.3000114.3F26 R30 R33 L53F26-L51 HydrophobicContact CD1-CD2 4.38Å; F26-L51 HydrophobicContact CE1-CD2 4.23Å; R30-L51 VanDerWaalsContact O-CD1 3.26Å; R30-L51 WeakPolarHBondContact O-CD1 3.39Å; R30-L51 WeakPolarHBondContact O-CD2 3.33Å; R30-L51 WeakPolarHBondContact O-CG 3.22Å; R33-L51 PolarHBondContact NE-O 2.75Å; R33-L51 PolarHBondContact NH2-O 3.38Å; L51-L53 PolarHBondContact O-N 2.95Å
52D85.8Confident89.1Confident78 Ų7867.2 Ų67.242%0.41733%0.333SS..  trans-72.6125.1-175-164.7-6.9000110.6K54D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.19Å
53L84.3Confident88.9Confident32 Ų3263 Ų6317%0.16831%0.312CS..SBendtrans-94.1-11.7176.4-67.6178.8000112.2V4 P12 W35 L51V4-L53 HydrophobicContact CG2-CB 4.24Å; V4-L53 HydrophobicContact CG2-CD2 4.2Å; V4-L53 WeakPolarHBondContact CG2-O 3.24Å; P12-L53 HydrophobicContact CB-CD1 3.99Å; P12-L53 HydrophobicContact CG-CD1 4.07Å; W35-L53 HydrophobicContact CH2-CD2 3.77Å; W35-L53 HydrophobicContact CZ2-CD2 3.78Å; L51-L53 PolarHBondContact O-N 2.95Å
54K79.7Confident88.8Confident199 Ų19970.4 Ų70.487%0.86535%0.352SS*.SBendtrans-80.9-44.2171.5-64.8-176.1177.6-177.40110.2D52D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.19Å
55E84Confident88.7Confident152 Ų15265.4 Ų65.471%0.7134%0.339SS*.SBendtrans-119.484.7174.7-67.1-170.8177.500110.9T57E55-T57 PolarHBondContact O-N 3.45Å
56I86.8Confident88.5Confident35 Ų3566.6 Ų66.618%0.17934%0.344CS..  trans-71.6115.7-178.3-61.1168.9000110.6A2 V4 I14 T49 I58A2-I56 HydrophobicContact CB-CB 4.18Å; A2-I56 HydrophobicContact CB-CD1 3.84Å; A2-I56 HydrophobicContact CB-CG2 4.11Å; V4-I56 HydrophobicContact CG2-CD1 3.21Å; V4-I56 HydrophobicContact CG2-CG1 4.01Å; I14-I56 HydrophobicContact CD1-CD1 3.78Å; I14-I56 HydrophobicContact CD1-CG1 4.49Å; I14-I56 HydrophobicContact CD1-CG2 4.26Å; I14-I56 HydrophobicContact CG1-CD1 3.98Å; T49-I56 HydrophobicContact CG2-CG2 3.71Å; I56-I58 HydrophobicContact CG2-CD1 3.7Å
57T90.3Very high88.1Confident93 Ų9365.6 Ų65.657%0.57135%0.346SS*.  trans-90.1120.1162.710000110T49 G50 E55T49-T57 CarbonylContact C-O 3.58Å; T49-T57 WeakPolarHBondContact CA-O 3.33Å; T49-T57 WeakPolarHBondContact CB-O 3.49Å; G50-T57 PolarHBondContact N-O 2.91Å; E55-T57 PolarHBondContact O-N 3.45Å
58I91.9Very high87.8Confident49 Ų4967.1 Ų67.125%0.25135%0.353SS..EExtended strand (participates in β ladder)trans-80.1118.9172.7-55.3-57.8000108.6A2 Y16 L47 T49 I56 D61A2-I58 HydrophobicContact CB-CD1 4.12Å; Y16-I58 HydrophobicContact CD2-CD1 4.35Å; Y16-I58 HydrophobicContact CD2-CG1 4.35Å; Y16-I58 HydrophobicContact CE1-CG1 4.35Å; Y16-I58 HydrophobicContact CE1-CG2 4.44Å; Y16-I58 HydrophobicContact CE2-CD1 4.4Å; Y16-I58 HydrophobicContact CE2-CG1 3.91Å; Y16-I58 HydrophobicContact CG-CD1 4.45Å; L47-I58 HydrophobicContact CD1-CD1 4.17Å; L47-I58 HydrophobicContact CD1-CG2 3.95Å; L47-I58 HydrophobicContact CD2-CD1 3.99Å; L47-I58 HydrophobicContact CG-CD1 4.3Å; T49-I58 HydrophobicContact CG2-CD1 3.75Å; I56-I58 HydrophobicContact CG2-CD1 3.7Å; I58-D61 HydrophobicContact CG2-CB 4.22Å
59I90.8Very high87.2Confident72 Ų7270.3 Ų70.337%0.36938%0.381SS..EExtended strand (participates in β ladder)trans-94.5-35.3178.6-59.9176000110.6R32 T48R32-I59 HydrophobicContact CB-CD1 4.29Å; R32-I59 HydrophobicContact CG-CD1 3.66Å; T48-I59 HydrophobicContact CG2-CB 4.07Å; T48-I59 HydrophobicContact CG2-CD1 4.44Å; T48-I59 HydrophobicContact CG2-CG2 4.31Å; T48-I59 PolarHBondContact O-N 3.46Å
60T90.5Very high86.5Confident73 Ų7372.7 Ų72.745%0.44840%0.401SS..EExtended strand (participates in β ladder)trans-140.3116.3175.9-47.40000108.3L47 T48L47-T60 WeakPolarHBondContact CD1-O 3.36Å; T48-T60 PolarHBondContact N-O 3.26Å; T48-T60 PolarHBondContact O-N 3.26Å; T48-T60 VanDerWaalsContact O-N 3.15Å
61D88.7Confident85.2Confident75 Ų7573.6 Ų73.640%0.40141%0.405SS..  trans-85.5118.1173.3-169.5-8.3000109.1Y16 N17 I58 T63Y16-D61 HydrophobicContact CE1-CB 4.48Å; Y16-D61 WeakPolarHBondContact CE1-OD1 3.45Å; Y16-D61 WeakPolarHBondContact CE1-OD2 3.05Å; Y16-D61 PolarHBondContact OH-OD2 3.37Å; N17-D61 PolarHBondContact ND2-OD2 2.85Å; I58-D61 HydrophobicContact CG2-CB 4.22Å; D61-T63 WeakPolarHBondContact OD1-CB 3.37Å; D61-T63 PolarHBondContact OD1-N 3.5Å; D61-T63 PolarHBondContact OD1-OG1 3.45Å
62G85.8Confident83.6Confident6 Ų672.5 Ų72.56%0.06241%0.408CS..  trans-110.420.9173.800000113.1R46 D64 S65R46-G62 WeakPolarHBondContact O-CA 3.43Å; R46-G62 PolarHBondContact O-N 3.37Å; G62-D64 PolarHBondContact O-N 2.97Å; G62-S65 WeakPolarHBondContact O-CB 3.42Å; G62-S65 PolarHBondContact O-N 2.9Å
63T85.3Confident81.8Confident19 Ų1976.7 Ų76.712%0.11743%0.425CS..G310 helixtrans-52.7-41.3177.5-61.40000111.3N17 Y19 D61 S65 H66N17-T63 HydrophobicContact CB-CG2 3.56Å; N17-T63 PolarHBondContact ND2-OG1 3.27Å; N17-T63 VanDerWaalsContact ND2-OG1 3.15Å; Y19-T63 HydrophobicContact CD2-CG2 3.86Å; Y19-T63 HydrophobicContact CE2-CG2 3.62Å; D61-T63 WeakPolarHBondContact OD1-CB 3.37Å; D61-T63 PolarHBondContact OD1-N 3.5Å; D61-T63 PolarHBondContact OD1-OG1 3.45Å; T63-S65 PolarHBondContact O-N 3.41Å; T63-H66 PolarHBondContact O-CD2 3.49Å; T63-H66 VanDerWaalsContact O-CD2 3.29Å; T63-H66 PolarHBondContact O-N 2.92Å
64D85.3Confident79.9Confident162 Ų16283.5 Ų83.587%0.86646%0.456SS*.G310 helixtrans-73.3-11.6-179.9-61.5-27.4000114G62 H66G62-D64 PolarHBondContact O-N 2.97Å; D64-H66 VanDerWaalsContact C-N 3.32Å
65S87.4Confident78.5Confident75 Ų7576.4 Ų76.452%0.52443%0.428SS..G310 helixtrans-90.85.8179.4-590000113.3G62 T63G62-S65 WeakPolarHBondContact O-CB 3.42Å; G62-S65 PolarHBondContact O-N 2.9Å; T63-S65 PolarHBondContact O-N 3.41Å
66H88.4Confident76.8Confident25 Ų2570.2 Ų70.212%0.11640%0.403CS..  trans-72.8136.4178.7-84.3-92.1000111.9Y19 Y21 C37 C43 A45 T63 D64 H68Y19-H66 HydrophobicContact CD1-CB 4.26Å; Y19-H66 AromaticContact CD1-CD2 3.92Å; Y19-H66 AromaticContact CD1-CE1 3.41Å; Y19-H66 VanDerWaalsContact CD1-CE1 3.41Å; Y19-H66 WeakPolarHBondContact CD1-CE1 3.4Å; Y19-H66 AromaticContact CD1-CG 3.55Å; Y19-H66 AromaticContact CD1-ND1 3.23Å; Y19-H66 WeakPolarHBondContact CD1-ND1 3.46Å; Y19-H66 AromaticContact CD1-NE2 3.85Å; Y19-H66 AromaticContact CD2-CD2 3.65Å; Y19-H66 AromaticContact CD2-NE2 3.81Å; Y19-H66 HydrophobicContact CE1-CB 3.64Å; Y19-H66 AromaticContact CE1-CG 3.44Å; Y19-H66 VanDerWaalsContact CE1-CG 3.44Å; Y19-H66 AromaticContact CE1-ND1 3.49Å; Y19-H66 WeakPolarHBondContact CE1-ND1 3.47Å; Y19-H66 HydrophobicContact CE2-CB 4.22Å; Y19-H66 AromaticContact CE2-CD2 3.87Å; Y19-H66 AromaticContact CE2-CG 3.96Å; Y19-H66 AromaticContact CG-CD2 3.67Å; Y19-H66 AromaticContact CG-CE1 3.43Å; Y19-H66 VanDerWaalsContact CG-CE1 3.43Å; Y19-H66 AromaticContact CG-CG 3.81Å; Y19-H66 AromaticContact CG-ND1 3.68Å; Y19-H66 AromaticContact CG-NE2 3.45Å; Y19-H66 AromaticContact CZ-CG 3.67Å; Y21-H66 AromaticContact CE1-NE2 3.43Å; Y21-H66 WeakPolarHBondContact CE1-NE2 3.48Å; Y21-H66 AromaticContact CZ-NE2 3.29Å; Y21-H66 VanDerWaalsContact CZ-NE2 3.29Å; Y21-H66 PolarHBondContact OH-NE2 3.22Å; C37-H66 PolarHBondContact SG-CE1 2.99Å; C43-H66 PolarHBondContact SG-ND1 2.9Å; C43-H66 VanDerWaalsContact SG-ND1 3.42Å; A45-H66 HydrophobicContact CB-CB 4.49Å; A45-H66 WeakPolarHBondContact CB-CD2 3.45Å; A45-H66 VanDerWaalsContact CB-NE2 3.33Å; A45-H66 WeakPolarHBondContact CB-NE2 3.34Å; T63-H66 PolarHBondContact O-CD2 3.49Å; T63-H66 VanDerWaalsContact O-CD2 3.29Å; T63-H66 PolarHBondContact O-N 2.92Å; D64-H66 VanDerWaalsContact C-N 3.32Å; H66-H68 AromaticContact CE1-NE2 3.81Å; H66-H68 AromaticContact ND1-CD2 3.91Å; H66-H68 AromaticContact ND1-CE1 3.33Å; H66-H68 PolarHBondContact ND1-CE1 3.06Å; H66-H68 VanDerWaalsContact ND1-CE1 3.33Å; H66-H68 AromaticContact ND1-NE2 3.05Å; H66-H68 PolarHBondContact ND1-NE2 2.82Å
67Q85.6Confident75Confident126 Ų12675.8 Ų75.859%0.58943%0.428SS*.SBendtrans-105.523.9179.9-59.7173.8-64.500111.4I42I42-Q67 PolarHBondContact O-OE1 3.08Å
68H86.1Confident73.1Confident33 Ų3377.1 Ų77.115%0.15343%0.427CS..SBendtrans-153.7156.1177.560.285000108.8Y19 C37 C43 H66Y19-H68 AromaticContact CD1-CE1 3.54Å; Y19-H68 AromaticContact CE1-CE1 3.71Å; Y19-H68 AromaticContact CE1-ND1 3.84Å; Y19-H68 WeakPolarHBondContact CE1-O 3.38Å; Y19-H68 PolarHBondContact OH-O 3Å; C37-H68 PolarHBondContact SG-NE2 3.24Å; C43-H68 VanDerWaalsContact SG-CD2 3.54Å; C43-H68 PolarHBondContact SG-NE2 3.39Å; C43-H68 VanDerWaalsContact SG-NE2 3.44Å; H66-H68 AromaticContact CE1-NE2 3.81Å; H66-H68 AromaticContact ND1-CD2 3.91Å; H66-H68 AromaticContact ND1-CE1 3.33Å; H66-H68 PolarHBondContact ND1-CE1 3.06Å; H66-H68 VanDerWaalsContact ND1-CE1 3.33Å; H66-H68 AromaticContact ND1-NE2 3.05Å; H66-H68 PolarHBondContact ND1-NE2 2.82Å
69A83.4Confident71Confident81 Ų8176 Ų7667%0.66942%0.422SS*.PPolyproline II helixtrans-59.4150.9174.600000112
70A79.3Confident69Low50 Ų5073.9 Ų73.941%0.41342%0.418SS..PPolyproline II helixtrans-56.7141.3168.400000110Y19Y19-A70 HydrophobicContact CE1-CB 4.01Å; Y19-A70 HydrophobicContact CE2-CB 4.25Å; Y19-A70 PolarHBondContact OH-N 2.93Å
71C63.3Low66.8Low28 Ų2873.4 Ų73.419%0.18942%0.417CS..PPolyproline II helixtrans-75.6127165.3-75.60000106.4G18 E73 N75 I79G18-C71 PolarHBondContact O-N 3.43Å; C71-E73 PolarHBondContact O-N 2.97Å; C71-N75 HydrophobicContact CB-CB 3.95Å; C71-I79 HydrophobicContact CB-CD1 3.84Å
72A53.2Low64.6Low60 Ų6072.1 Ų72.150%0.49641%0.414SS..PPolyproline II helixtrans-46.5141173.100000109.5E74 N75A72-E74 PolarHBondContact O-N 3.47Å; A72-N75 WeakPolarHBondContact O-CA 3.33Å; A72-N75 VanDerWaalsContact O-CB 3.26Å; A72-N75 WeakPolarHBondContact O-CB 3.49Å; A72-N75 PolarHBondContact O-N 3.27Å
73E47.7Very low62.5Low166 Ų16675 Ų7578%0.77643%0.428SS*.THydrogen-bonded Turntrans-55.5-25.7-174.2-77-176.414300113.1C71 N75 A76C71-E73 PolarHBondContact O-N 2.97Å; E73-N75 PolarHBondContact O-N 3.08Å; E73-A76 WeakPolarHBondContact O-CB 3.33Å; E73-A76 PolarHBondContact O-N 3.12Å; E73-A76 VanDerWaalsContact O-N 3.12Å
74E44.2Very low60.5Low175 Ų17580.9 Ų80.982%0.81845%0.452SS*.THydrogen-bonded Turntrans-61.8-24.9171.6-70.9-178.6150.700113.5A72 A76A72-E74 PolarHBondContact O-N 3.47Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 3.41Å
75N50.9Low58.3Low50 Ų5080.6 Ų80.627%0.26744%0.439SS..Hα-helixtrans-77.2-5.2175.7-70.3-2000113.1C71 A72 E73 E77 E78 I79C71-N75 HydrophobicContact CB-CB 3.95Å; A72-N75 WeakPolarHBondContact O-CA 3.33Å; A72-N75 VanDerWaalsContact O-CB 3.26Å; A72-N75 WeakPolarHBondContact O-CB 3.49Å; A72-N75 PolarHBondContact O-N 3.27Å; E73-N75 PolarHBondContact O-N 3.08Å; N75-E77 VanDerWaalsContact C-N 3.3Å; N75-E77 PolarHBondContact O-N 2.98Å; N75-E78 HydrophobicContact CB-CB 4.44Å; N75-E78 CarbonylContact O-C 3.55Å; N75-E78 PolarHBondContact O-N 3.03Å; N75-E78 PolarHBondContact OD1-OE2 2.87Å; N75-I79 HydrophobicContact CB-CD1 4.15Å; N75-I79 HydrophobicContact CB-CG1 4.34Å; N75-I79 WeakPolarHBondContact O-CA 3.1Å; N75-I79 WeakPolarHBondContact O-CB 3.28Å; N75-I79 VanDerWaalsContact O-CD1 3.3Å; N75-I79 WeakPolarHBondContact O-CD1 3.44Å; N75-I79 WeakPolarHBondContact O-CG1 3.36Å; N75-I79 PolarHBondContact O-N 3.49Å
76A46.9Very low55.8Low22 Ų2281.6 Ų81.618%0.18244%0.444CS..Hα-helixtrans-64.5-39.117700000111.5L5 E73 E74 G80L5-A76 HydrophobicContact CD1-CB 4.45Å; E73-A76 WeakPolarHBondContact O-CB 3.33Å; E73-A76 PolarHBondContact O-N 3.12Å; E73-A76 VanDerWaalsContact O-N 3.12Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 3.41Å; A76-G80 PolarHBondContact O-N 3.34Å
77E49Very low53.2Low152 Ų15284.6 Ų84.671%0.7146%0.464SS*.Hα-helixtrans-73-35.1172.6-66.8-170165.600111.7N75 G80 S81N75-E77 VanDerWaalsContact C-N 3.3Å; N75-E77 PolarHBondContact O-N 2.98Å; E77-G80 CarbonylContact O-C 3.52Å; E77-G80 PolarHBondContact O-N 3.31Å; E77-S81 VanDerWaalsContact O-CB 3.31Å; E77-S81 WeakPolarHBondContact O-CB 3.48Å; E77-S81 PolarHBondContact O-N 3.02Å; E77-S81 PolarHBondContact O-OG 3.12Å
78E50.4Low50.9Low120 Ų12088.3 Ų88.356%0.56147%0.473SS*.Hα-helixtrans-74.4-26.4177.3-138.7-176.5-149.900112.9N75 S81 S82N75-E78 HydrophobicContact CB-CB 4.44Å; N75-E78 CarbonylContact O-C 3.55Å; N75-E78 PolarHBondContact O-N 3.03Å; N75-E78 PolarHBondContact OD1-OE2 2.87Å; E78-S81 CarbonylContact O-C 3.53Å; E78-S81 PolarHBondContact O-N 3.44Å; E78-S82 WeakPolarHBondContact O-CA 3.43Å; E78-S82 WeakPolarHBondContact O-CB 3.33Å; E78-S82 PolarHBondContact O-N 3.34Å; E78-S82 PolarHBondContact O-OG 3.36Å
79I49.1Very low48.6Very low26 Ų2693.8 Ų93.813%0.13350%0.499CS..Hα-helixtrans-76.2-40.5170.2-70.9162000108.7C20 I38 C71 N75 S81 S82 L83C20-I79 VanDerWaalsContact SG-CD1 3.57Å; I38-I79 HydrophobicContact CD1-CG2 4.18Å; C71-I79 HydrophobicContact CB-CD1 3.84Å; N75-I79 HydrophobicContact CB-CD1 4.15Å; N75-I79 HydrophobicContact CB-CG1 4.34Å; N75-I79 WeakPolarHBondContact O-CA 3.1Å; N75-I79 WeakPolarHBondContact O-CB 3.28Å; N75-I79 VanDerWaalsContact O-CD1 3.3Å; N75-I79 WeakPolarHBondContact O-CD1 3.44Å; N75-I79 WeakPolarHBondContact O-CG1 3.36Å; N75-I79 PolarHBondContact O-N 3.49Å; I79-S81 PolarHBondContact O-N 3.09Å; I79-S82 PolarHBondContact O-N 3.12Å; I79-L83 HydrophobicContact CG2-CD1 4.13Å; I79-L83 VanDerWaalsContact O-CB 3.27Å; I79-L83 WeakPolarHBondContact O-CB 3.11Å; I79-L83 WeakPolarHBondContact O-CD1 3.33Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 2.76Å
80G48Very low46.2Very low27 Ų2797.5 Ų97.528%0.27850%0.502SS..Hα-helixtrans-57.8-33.8167.300000112.8A76 E77 K84A76-G80 PolarHBondContact O-N 3.34Å; E77-G80 CarbonylContact O-C 3.52Å; E77-G80 PolarHBondContact O-N 3.31Å; G80-K84 WeakPolarHBondContact O-CG 3.47Å
81S44.1Very low44Very low63 Ų6398.8 Ų98.844%0.44151%0.508SS..Hα-helixtrans-87.9-30.5178.6-58.40000113.6E77 E78 I79 K84 R85E77-S81 VanDerWaalsContact O-CB 3.31Å; E77-S81 WeakPolarHBondContact O-CB 3.48Å; E77-S81 PolarHBondContact O-N 3.02Å; E77-S81 PolarHBondContact O-OG 3.12Å; E78-S81 CarbonylContact O-C 3.53Å; E78-S81 PolarHBondContact O-N 3.44Å; I79-S81 PolarHBondContact O-N 3.09Å; S81-K84 CarbonylContact O-C 3.28Å; S81-K84 VanDerWaalsContact O-CA 3.28Å; S81-K84 WeakPolarHBondContact O-CA 3.25Å; S81-K84 VanDerWaalsContact O-CB 3.24Å; S81-K84 WeakPolarHBondContact O-CB 3.41Å; S81-K84 PolarHBondContact O-N 3.16Å; S81-R85 PolarHBondContact O-N 2.74Å; S81-R85 VanDerWaalsContact O-N 3.16Å
82S44Very low42.8Very low48 Ų48101.5 Ų101.534%0.33653%0.533SS..Hα-helixtrans-75.1-31.5175.1-67.50000111.2E78 I79 K84 R85E78-S82 WeakPolarHBondContact O-CA 3.43Å; E78-S82 WeakPolarHBondContact O-CB 3.33Å; E78-S82 PolarHBondContact O-N 3.34Å; E78-S82 PolarHBondContact O-OG 3.36Å; I79-S82 PolarHBondContact O-N 3.12Å; S82-K84 PolarHBondContact O-N 2.86Å; S82-R85 PolarHBondContact O-N 3.26Å
83L41.9Very low42Very low67 Ų67102.5 Ų102.535%0.35154%0.541SS..THydrogen-bonded Turntrans-63.9-15.5163.4-77163.6000112.6I38 I79I38-L83 HydrophobicContact CD1-CD1 4.12Å; I38-L83 HydrophobicContact CD1-CD2 4.49Å; I79-L83 HydrophobicContact CG2-CD1 4.13Å; I79-L83 VanDerWaalsContact O-CB 3.27Å; I79-L83 WeakPolarHBondContact O-CB 3.11Å; I79-L83 WeakPolarHBondContact O-CD1 3.33Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 2.76Å
84K42.5Very low41.2Very low143 Ų143100 Ų10062%0.62254%0.537SS*.THydrogen-bonded Turntrans-93.7-11.4170.1-63.9171.3178.3176.10114.1Q8 G80 S81 S82Q8-K84 HydrophobicContact CG-CG 4.37Å; G80-K84 WeakPolarHBondContact O-CG 3.47Å; S81-K84 CarbonylContact O-C 3.28Å; S81-K84 VanDerWaalsContact O-CA 3.28Å; S81-K84 WeakPolarHBondContact O-CA 3.25Å; S81-K84 VanDerWaalsContact O-CB 3.24Å; S81-K84 WeakPolarHBondContact O-CB 3.41Å; S81-K84 PolarHBondContact O-N 3.16Å; S82-K84 PolarHBondContact O-N 2.86Å
85R39.2Very low40.5Very low155 Ų15599.5 Ų99.559%0.58554%0.539SS*.THydrogen-bonded Turntrans-98.5-17.4-168.6-163160.763.696.7-6.2115.7S81 S82 V87S81-R85 PolarHBondContact O-N 2.74Å; S81-R85 VanDerWaalsContact O-N 3.16Å; S82-R85 PolarHBondContact O-N 3.26Å; R85-V87 VanDerWaalsContact C-N 3.28Å; R85-V87 PolarHBondContact O-N 2.67Å; R85-V87 VanDerWaalsContact O-N 3.1Å
86C33.5Very low39.6Very low96 Ų96101.7 Ų101.765%0.64956%0.558SS**THydrogen-bonded Turntrans-81.520.9-175.5-59.80000116.2
87V34.6Very low38.9Very low88 Ų88109.8 Ų109.853%0.53359%0.592SS.*THydrogen-bonded Turntrans-119.7-14.1175.9-178.80000112.4R85 E89 S91R85-V87 VanDerWaalsContact C-N 3.28Å; R85-V87 PolarHBondContact O-N 2.67Å; R85-V87 VanDerWaalsContact O-N 3.1Å; V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 3.47Å; V87-S91 PolarHBondContact O-OG 3Å
88R36.5Very low38.2Very low205 Ų205111.7 Ų111.777%0.77460%0.601SS**THydrogen-bonded Turntrans-75.5-20.8177.6-92.1-179.1163.5-174-9.7113.9
89E38.5Very low37.3Very low148 Ų148115.7 Ų115.769%0.69262%0.619SS**THydrogen-bonded Turntrans-104.4-18.2-176.8-72.1166.4-174.500113.2V87V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 3.47Å
90E33.4Very low36.4Very low158 Ų158118.1 Ų118.174%0.73865%0.651SS**THydrogen-bonded Turntrans-92-14.6173.4-82-179.6161.600113.9
91S33.8Very low35.6Very low77 Ų77125.5 Ų125.554%0.53868%0.679SS.*SBendtrans-88.5-7.6-179.3-48.80000113.9V87V87-S91 PolarHBondContact O-OG 3Å
92A37.8Very low34.9Very low86 Ų86129.5 Ų129.571%0.71170%0.695SS**SBendtrans-95.4-6.2-177.900000113.3
93A35.5Very low34.3Very low80 Ų80133.2 Ų133.266%0.66172%0.721SS**SBendtrans-112.317.2-170.500000114.5
94T31.7Very low33.7Very low113 Ų113137.7 Ų137.769%0.69375%0.745SS**SBendtrans-137.629.5-175.5-36.40000113.8
95L30.2Very low33.1Very low165 Ų165138.6 Ų138.686%0.86476%0.757SS**  trans-132.633.3176.8-72.5171.5000112.6
96S31.3Very low32.7Very low96 Ų96139 Ų13967%0.67177%0.769SS**  trans-124.9129171.6-45.30000106.2
97E32.7Very low32.5Very low192 Ų192137.7 Ų137.790%0.89777%0.771SS**  trans79.7108-170.9-50.6164.2-173.200110
98E32.9Very low32.4Very low192 Ų192137.6 Ų137.690%0.89779%0.788SS**  -150.1138.458.1-71168.8161.800111.2
99H32.7Very low32.3Very low204 Ų204136.2 Ų136.294%0.94479%0.791SS**  trans-81142.6159.1-9243.9000108.9
100G28.8Very low32.1Very low78 Ų78133.9 Ų133.980%0.80478%0.783SS**  trans-175118167.500000110.3
101E31.8Very low32.2Very low182 Ų182127.2 Ų127.285%0.8575%0.753SS**  trans-71.5160.1-168.4-67.9160.7144.700115.3
102D28.7Very low32Very low147 Ų147127 Ų12779%0.78676%0.755SS**  trans59.5110.4150.2-62.8-13.8000121.6
103S32.7Very low31.6Very low125 Ų125124 Ų12487%0.87473%0.73SS**  174.7146107.6360000112
104D28.6Very low31.5Very low161 Ų161120.5 Ų120.586%0.86170%0.7SS**  trans-53.2130.1-178.1-64.6-60.1000114.8
105D31.1Very low31.8Very low163 Ų163116.2 Ų116.287%0.87267%0.674SS**  trans-148.8127143.5-151.10.5000110.5
106I29.1Very low32.1Very low164 Ų164110.8 Ų110.884%0.84165%0.648SS**  trans-92.9108.8-175.8-65.3171.6000107.2
107G29.2Very low32.4Very low67 Ų67113.5 Ų113.569%0.69165%0.648SS**  trans172106.3170.200000117.3E109G107-E109 PolarHBondContact O-N 3.23Å
108G32.7Very low32.9Very low87 Ų87109 Ų10990%0.89762%0.622SS**  trans87.31.8135.600000122.1
109E35.1Very low33.2Very low176 Ų176104.8 Ų104.882%0.82261%0.606SS**  trans-94.1-3-170.4-81-163.6141.100118.3G107 V111G107-E109 PolarHBondContact O-N 3.23Å; E109-V111 PolarHBondContact O-N 2.9Å
110D34.4Very low33.5Very low98 Ų98105 Ų10552%0.52460%0.598SS.*G310 helixtrans-83.8-11.4-165.1-89.2-36.7000117.4S113D110-S113 PolarHBondContact O-OG 3.04Å
111V34.5Very low34Very low19 Ų19104.6 Ų104.612%0.11558%0.578CS.*G310 helixtrans-86.8-20.9-176.5-167.50000113.3E109 S113 I114 K391 E395E109-V111 PolarHBondContact O-N 2.9Å; V111-S113 PolarHBondContact O-N 3.41Å; V111-I114 HydrophobicContact CG1-CD1 4.27Å; V111-I114 WeakPolarHBondContact O-CG1 3.23Å; V111-I114 PolarHBondContact O-N 2.49Å; V111-I114 VanDerWaalsContact O-N 3.14Å; V111-K391 HydrophobicContact CG1-CD 4.46Å; V111-K391 HydrophobicContact CG1-CG 4.4Å; V111-E395 WeakPolarHBondContact CB-OE2 3.38Å; V111-E395 WeakPolarHBondContact CG1-OE2 3.43Å
112A30.3Very low34.4Very low71 Ų7199.6 Ų99.659%0.58756%0.563SS**G310 helixtrans-63-12.9175.800000113.5
113S30Very low34.8Very low25 Ų25102.3 Ų102.318%0.17556%0.562CS.*G310 helixtrans-77.6-20.9177.769.10000114D110 V111 S439D110-S113 PolarHBondContact O-OG 3.04Å; V111-S113 PolarHBondContact O-N 3.41Å; S113-S439 CarbonylContact C-O 3.57Å; S113-S439 CarbonylContact O-C 3.57Å; S113-S439 VanDerWaalsContact O-CB 3.24Å; S113-S439 WeakPolarHBondContact O-CB 3.37Å; S113-S439 PolarHBondContact O-OG 2.8Å
114I33.5Very low35.2Very low6 Ų6102.1 Ų102.13%0.03155%0.549CS..SBendtrans-82.1-29.2-165.3-48-164000113.2V111 V388 V389 S439 A440V111-I114 HydrophobicContact CG1-CD1 4.27Å; V111-I114 WeakPolarHBondContact O-CG1 3.23Å; V111-I114 PolarHBondContact O-N 2.49Å; V111-I114 VanDerWaalsContact O-N 3.14Å; I114-V388 HydrophobicContact CD1-CG1 3.51Å; I114-V389 HydrophobicContact CG2-CG2 4.43Å; I114-S439 WeakPolarHBondContact CA-O 3.48Å; I114-S439 PolarHBondContact O-N 2.75Å; I114-A440 HydrophobicContact CG2-CB 4.22Å
115V37.6Very low36.1Very low23 Ų2395.9 Ų95.914%0.13952%0.515CS..SBendtrans-81.6141.7170.4-175.60000108.2K117 G392 K396V115-K117 PolarHBondContact O-N 3.22Å; V115-G392 WeakPolarHBondContact CG2-O 3.42Å; V115-K396 HydrophobicContact CG1-CD 3.97Å; V115-K396 HydrophobicContact CG2-CD 4.47Å
116P36.9Very low36.6Very low50 Ų5092.1 Ų92.133%0.32550%0.495SS..  trans-45.6110.5179.911.3-27000111.5R118P116-R118 PolarHBondContact O-N 2.93Å
117K36.7Very low37Very low153 Ų15386.7 Ų86.767%0.66548%0.48SS*.  trans-40.899.8-172.8-73.7-173.2176.5-172.90111.1V115V115-K117 PolarHBondContact O-N 3.22Å
118R44.2Very low37.8Very low97 Ų9791.6 Ų91.637%0.36648%0.477SS..  trans-132.367.5171.9-76.2-172.8173.6118.3-5.6108.6P116 R120P116-R118 PolarHBondContact O-N 2.93Å; R118-R120 PolarHBondContact O-N 2.81Å
119N37.8Very low38.5Very low105 Ų10593.4 Ų93.456%0.56146%0.461SS*.THydrogen-bonded Turntrans-63.430.6179.7-67.97.8000115.2
120R39.4Very low38.8Very low207 Ų20794.4 Ų94.478%0.78146%0.462SS*.THydrogen-bonded Turntrans-107.8-21.9172.3-71.1-167.2-175.4-166.42113.8R118 M124R118-R120 PolarHBondContact O-N 2.81Å; R120-M124 WeakPolarHBondContact O-CE 3.23Å
121L39.8Very low39.2Very low71 Ų7193.1 Ų93.137%0.37246%0.461SS..Hα-helixtrans-76.1-45.9179.9-77.6162.4000111.9R123 M124 I125L121-R123 PolarHBondContact O-N 3.23Å; L121-M124 HydrophobicContact CD2-CE 4.27Å; L121-M124 PolarHBondContact O-N 3.09Å; L121-M124 VanDerWaalsContact O-N 3.09Å; L121-I125 HydrophobicContact CB-CD1 4.1Å; L121-I125 WeakPolarHBondContact O-CB 3.47Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.61Å
122S39.5Very low39.7Very low76 Ų76104 Ų10453%0.53150%0.5SS..Hα-helixtrans-54.3-47.7179.81580000112.6M124 I125 D126S122-M124 PolarHBondContact O-N 2.78Å; S122-I125 PolarHBondContact O-N 3.17Å; S122-D126 PolarHBondContact O-N 3.28Å; S122-D126 VanDerWaalsContact O-N 3.09Å
123R37.3Very low40.4Very low205 Ų205104.3 Ų104.377%0.77450%0.496SS*.Hα-helixtrans-67-29.8177.4-67-174.1-165.5160.22.7115.1L121L121-R123 PolarHBondContact O-N 3.23Å
124M42.4Very low41Very low120 Ų120111.1 Ų111.159%0.59153%0.53SS*.Hα-helixtrans-79.9-28175.9-73.5-170-58.100112.2R120 L121 S122 R128R120-M124 WeakPolarHBondContact O-CE 3.23Å; L121-M124 HydrophobicContact CD2-CE 4.27Å; L121-M124 PolarHBondContact O-N 3.09Å; L121-M124 VanDerWaalsContact O-N 3.09Å; S122-M124 PolarHBondContact O-N 2.78Å; M124-R128 PolarHBondContact O-N 3.23Å
125I46.1Very low41.6Very low30 Ų30116.2 Ų116.215%0.15456%0.561CS.*Hα-helixtrans-72.2-42.3178.1-68.8163.8000110.1L121 S122 G127 R128 K129 T399L121-I125 HydrophobicContact CB-CD1 4.1Å; L121-I125 WeakPolarHBondContact O-CB 3.47Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.61Å; S122-I125 PolarHBondContact O-N 3.17Å; I125-G127 VanDerWaalsContact C-N 3.28Å; I125-G127 PolarHBondContact O-N 3.26Å; I125-R128 PolarHBondContact O-N 3.5Å; I125-R128 VanDerWaalsContact O-N 3.1Å; I125-K129 PolarHBondContact O-N 3.09Å; I125-T399 HydrophobicContact CD1-CG2 4.25Å; I125-T399 HydrophobicContact CG2-CG2 3.83Å
126D41.9Very low42.3Very low84 Ų84119.9 Ų119.945%0.44958%0.58SS.*Hα-helixtrans-64.7-32.4176.1-67.8-30.6000112.9S122 R128 K129S122-D126 PolarHBondContact O-N 3.28Å; S122-D126 VanDerWaalsContact O-N 3.09Å; D126-R128 PolarHBondContact O-N 3.41Å; D126-K129 IonicContact OD1-NZ 3.29Å
127G37Very low43.2Very low51 Ų51122.8 Ų122.853%0.52660%0.602SS.*Hα-helixtrans-66.7-31.9172.700000114I125I125-G127 VanDerWaalsContact C-N 3.28Å; I125-G127 PolarHBondContact O-N 3.26Å
128R47.6Very low44.4Very low170 Ų170116.9 Ų116.964%0.64258%0.581SS**Hα-helixtrans-86.7-24.5179.9-80.5-178176.4176.9-2.5114M124 I125 D126 K130 S131M124-R128 PolarHBondContact O-N 3.23Å; I125-R128 PolarHBondContact O-N 3.5Å; I125-R128 VanDerWaalsContact O-N 3.1Å; D126-R128 PolarHBondContact O-N 3.41Å; R128-K130 PolarHBondContact O-N 3.13Å; R128-K130 VanDerWaalsContact O-N 3.07Å; R128-S131 PolarHBondContact O-N 3.4Å; R128-S131 PolarHBondContact O-OG 3.49Å
129K46.6Very low45.6Very low125 Ų125119.6 Ų119.654%0.54359%0.591SS.*THydrogen-bonded Turntrans-56.3-22171.6-77.2178.8177.6173.60112.7I125 D126I125-K129 PolarHBondContact O-N 3.09Å; D126-K129 IonicContact OD1-NZ 3.29Å
130K41.1Very low47.3Very low196 Ų196114.6 Ų114.685%0.85257%0.565SS**THydrogen-bonded Turntrans-83.1-11.4176-68.7-174.9177.9-179.50114.9R128R128-K130 PolarHBondContact O-N 3.13Å; R128-K130 VanDerWaalsContact O-N 3.07Å
131S43.6Very low48.7Very low71 Ų71106.7 Ų106.750%0.49754%0.537SS..SBendtrans-110.5100176.756.30000110.2R128 P133R128-S131 PolarHBondContact O-N 3.4Å; R128-S131 PolarHBondContact O-OG 3.49Å; S131-P133 WeakPolarHBondContact O-CD 3.33Å
132R43.8Very low50.2Low247 Ų247109.4 Ų109.493%0.93255%0.548SS*.  trans-55.7115.3169.6-102.5178.6160.4-179.3-5.5109.3
133P46.1Very low52Low79 Ų79106.9 Ų106.951%0.51353%0.528SS..  trans-72.2135.1169.1-8.225.9000108.5S131 T135S131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-T135 PolarHBondContact O-N 3.15Å
134L43.1Very low54.2Low168 Ų168104.5 Ų104.588%0.8853%0.526SS*.  trans-53.1125.2169.1-76.9140.8000109.1N136L134-N136 PolarHBondContact O-N 3.24Å
135T45.8Very low56.2Low113 Ų11399.8 Ų99.869%0.69350%0.503SS*.  trans-60.1114.417542.60000109.8P133 S137P133-T135 PolarHBondContact O-N 3.15Å; T135-S137 PolarHBondContact O-N 3.13Å
136N52Low58.2Low100 Ų100100 Ų10054%0.53551%0.506SS..  trans-74.8113.8164.4-86.1-9.3000107.7L134 A138 Q201L134-N136 PolarHBondContact O-N 3.24Å; N136-A138 PolarHBondContact O-N 2.85Å; N136-A138 VanDerWaalsContact O-N 3.11Å; N136-Q201 PolarHBondContact O-NE2 3.4Å
137S55.2Low60.4Low111 Ų111101.6 Ų101.678%0.77652%0.518SS*.  trans-66.4-8.9-171.9-168.40000115.6T135T135-S137 PolarHBondContact O-N 3.13Å
138A63.2Low63Low29 Ų29106 Ų10624%0.2452%0.519CS..  trans-67.9147.9-17700000111.6N136 E142 I143 Q201N136-A138 PolarHBondContact O-N 2.85Å; N136-A138 VanDerWaalsContact O-N 3.11Å; A138-E142 VanDerWaalsContact CA-OE2 3.27Å; A138-E142 WeakPolarHBondContact CA-OE2 2.94Å; A138-E142 HydrophobicContact CB-CB 4.24Å; A138-I143 HydrophobicContact CB-CD1 4.3Å; A138-I143 HydrophobicContact CB-CG1 3.96Å; A138-Q201 WeakPolarHBondContact O-CG 3.39Å
139R69.3Low65.1Low153 Ų15398.1 Ų98.158%0.57749%0.489SS*.  trans-84.1167.1169.8-65.6-176.7174177.4-1111.4E141 E142 I143R139-E141 WeakPolarHBondContact CB-OE2 3.45Å; R139-E141 WeakPolarHBondContact CD-OE2 3.43Å; R139-E141 PolarHBondContact O-N 3.32Å; R139-E142 PolarHBondContact N-OE2 2.96Å; R139-E142 VanDerWaalsContact N-OE2 3.08Å; R139-E142 PolarHBondContact O-N 3.27Å; R139-I143 WeakPolarHBondContact O-CD1 3.13Å; R139-I143 WeakPolarHBondContact O-CG1 2.89Å
140L71.9Confident67.4Low1 Ų193.8 Ų93.81%0.00547%0.474CS..G310 helixtrans-56.2-43.6179.9-169.347.3000110.9E142 I143 R170 L172 Q201 I223 T225 L408L140-E142 PolarHBondContact O-N 2.78Å; L140-E142 VanDerWaalsContact O-N 3.17Å; L140-I143 PolarHBondContact O-N 3.31Å; L140-R170 HydrophobicContact CG-CB 4.47Å; L140-R170 PolarHBondContact O-NH1 2.88Å; L140-L172 HydrophobicContact CD1-CD1 4.05Å; L140-Q201 WeakPolarHBondContact CB-O 3.47Å; L140-Q201 WeakPolarHBondContact CD1-O 3.34Å; L140-I223 HydrophobicContact CD2-CG2 4.16Å; L140-T225 HydrophobicContact CB-CG2 3.7Å; L140-T225 HydrophobicContact CD2-CG2 3.54Å; L140-T225 HydrophobicContact CG-CG2 4.12Å; L140-L408 HydrophobicContact CD1-CD1 3.84Å; L140-L408 HydrophobicContact CD1-CD2 3.3Å; L140-L408 HydrophobicContact CD1-CG 4.13Å
141E68.6Low70Confident41 Ų4186.6 Ų86.619%0.19245%0.446CS..G310 helixtrans-53.6-31.5178.2-51.484.8-107.200112R139 I165 T225R139-E141 WeakPolarHBondContact CB-OE2 3.45Å; R139-E141 WeakPolarHBondContact CD-OE2 3.43Å; R139-E141 PolarHBondContact O-N 3.32Å; E141-I165 VanDerWaalsContact O-CA 3.29Å; E141-I165 WeakPolarHBondContact O-CA 3.42Å; E141-I165 WeakPolarHBondContact O-CB 3.47Å; E141-I165 WeakPolarHBondContact O-CG2 3.34Å; E141-T225 WeakPolarHBondContact OE1-CG2 3.35Å
142E72.3Confident72.3Confident128 Ų12883.5 Ų83.560%0.59842%0.424SS*.G310 helixtrans-91.8-2.8-173.3-62.4170.8168.500113.8A138 R139 L140A138-E142 VanDerWaalsContact CA-OE2 3.27Å; A138-E142 WeakPolarHBondContact CA-OE2 2.94Å; A138-E142 HydrophobicContact CB-CB 4.24Å; R139-E142 PolarHBondContact N-OE2 2.96Å; R139-E142 VanDerWaalsContact N-OE2 3.08Å; R139-E142 PolarHBondContact O-N 3.27Å; L140-E142 PolarHBondContact O-N 2.78Å; L140-E142 VanDerWaalsContact O-N 3.17Å
143I77.4Confident74.4Confident22 Ų2273.1 Ų73.111%0.11339%0.389CS..  trans-102.6107-170.3-60.7165.1000111.5A138 R139 L140 I145 R170 Q201 L408A138-I143 HydrophobicContact CB-CD1 4.3Å; A138-I143 HydrophobicContact CB-CG1 3.96Å; R139-I143 WeakPolarHBondContact O-CD1 3.13Å; R139-I143 WeakPolarHBondContact O-CG1 2.89Å; L140-I143 PolarHBondContact O-N 3.31Å; I143-I145 PolarHBondContact O-N 3.15Å; I143-R170 PolarHBondContact O-NH1 3Å; I143-R170 PolarHBondContact O-NH2 3.07Å; I143-R170 VanDerWaalsContact O-NH2 3.11Å; I143-Q201 HydrophobicContact CD1-CB 4.2Å; I143-Q201 HydrophobicContact CD1-CG 3.64Å; I143-L408 HydrophobicContact CB-CD2 3.96Å; I143-L408 HydrophobicContact CD1-CB 4.18Å; I143-L408 HydrophobicContact CD1-CD2 4.2Å; I143-L408 HydrophobicContact CG2-CD2 3.69Å
144E82.8Confident76.4Confident156 Ų15674.8 Ų74.873%0.72939%0.385SS*.PPolyproline II helixtrans-68.7131.2167-68.9-173.5174.600111.1P146E144-P146 VanDerWaalsContact O-CD 3.28Å; E144-P146 WeakPolarHBondContact O-CD 3.34Å
145I85.8Confident78.6Confident21 Ų2169.3 Ų69.311%0.10837%0.369CS..PPolyproline II helixtrans-80.2118178.5-54-58.9000109.2I143 V147 L149 T150 L159 L172 L408I143-I145 PolarHBondContact O-N 3.15Å; I145-V147 PolarHBondContact O-N 2.98Å; I145-L149 HydrophobicContact CG2-CB 3.83Å; I145-T150 HydrophobicContact CB-CG2 4.46Å; I145-T150 HydrophobicContact CG2-CG2 3.92Å; I145-L159 HydrophobicContact CB-CD2 4.27Å; I145-L159 HydrophobicContact CG1-CD2 4.32Å; I145-L159 HydrophobicContact CG2-CD2 4.28Å; I145-L172 HydrophobicContact CD1-CD1 3.77Å; I145-L172 HydrophobicContact CG1-CD1 4.19Å; I145-L172 HydrophobicContact CG1-CD2 4.31Å; I145-L408 HydrophobicContact CD1-CD2 3.36Å; I145-L408 HydrophobicContact CD1-CG 3.97Å
146P87.5Confident80.9Confident35 Ų3567.6 Ų67.623%0.22735%0.353CS..PPolyproline II helixtrans-58.5138.8176.9-24.334.5000111.6E144 R148 L149E144-P146 VanDerWaalsContact O-CD 3.28Å; E144-P146 WeakPolarHBondContact O-CD 3.34Å; P146-R148 HydrophobicContact CB-CG 4.09Å; P146-R148 VanDerWaalsContact CB-NH1 3.32Å; P146-R148 PolarHBondContact O-N 3.36Å; P146-L149 HydrophobicContact CB-CG 4.46Å; P146-L149 HydrophobicContact CG-CD1 4.38Å; P146-L149 WeakPolarHBondContact O-CA 3.45Å; P146-L149 WeakPolarHBondContact O-CB 3.43Å; P146-L149 PolarHBondContact O-N 3.33Å
147V88.5Confident82.9Confident116 Ų11666.8 Ų66.870%0.70335%0.354SS*.G310 helixtrans-50.1-34.6179.9176.80000113I145 L149 T150I145-V147 PolarHBondContact O-N 2.98Å; V147-L149 PolarHBondContact O-N 3.32Å; V147-L149 VanDerWaalsContact O-N 3.12Å; V147-T150 PolarHBondContact O-N 2.91Å; V147-T150 VanDerWaalsContact O-N 3.11Å; V147-T150 PolarHBondContact O-OG1 3.29Å
148R91.6Very high84.9Confident145 Ų14561.5 Ų61.555%0.54732%0.317SS..G310 helixtrans-60.9-22.3176.570.4178.1-173.1-84-3.7113.5P146 E413 K416P146-R148 HydrophobicContact CB-CG 4.09Å; P146-R148 VanDerWaalsContact CB-NH1 3.32Å; P146-R148 PolarHBondContact O-N 3.36Å; R148-E413 IonicContact NE-OE1 3.56Å; R148-E413 IonicContact NH2-OE1 3.53Å; R148-K416 PolarHBondContact O-NZ 2.75Å
149L91.4Very high86.5Confident3 Ų361.7 Ų61.72%0.01631%0.314CS..G310 helixtrans-95.1-13.3-180-58.8-169.7000112.6I145 P146 V147 V151 C409 V412 E413 K416I145-L149 HydrophobicContact CG2-CB 3.83Å; P146-L149 HydrophobicContact CB-CG 4.46Å; P146-L149 HydrophobicContact CG-CD1 4.38Å; P146-L149 WeakPolarHBondContact O-CA 3.45Å; P146-L149 WeakPolarHBondContact O-CB 3.43Å; P146-L149 PolarHBondContact O-N 3.33Å; V147-L149 PolarHBondContact O-N 3.32Å; V147-L149 VanDerWaalsContact O-N 3.12Å; L149-V151 VanDerWaalsContact C-N 3.29Å; L149-V151 PolarHBondContact O-N 3.18Å; L149-C409 HydrophobicContact CD1-CB 3.86Å; L149-V412 HydrophobicContact CB-CG1 3.81Å; L149-V412 HydrophobicContact CD1-CB 4.26Å; L149-V412 HydrophobicContact CD1-CG1 4.35Å; L149-V412 HydrophobicContact CG-CG1 4.49Å; L149-E413 HydrophobicContact CD2-CG 3.42Å; L149-E413 VanDerWaalsContact CD2-CG 3.42Å; L149-K416 HydrophobicContact CD2-CD 4.33Å
150T94.4Very high87.7Confident35 Ų3556.3 Ų56.322%0.21530%0.296CS..SBendtrans-82.7-6.2178.469.60000113.3I145 V147 F158 L159I145-T150 HydrophobicContact CB-CG2 4.46Å; I145-T150 HydrophobicContact CG2-CG2 3.92Å; V147-T150 PolarHBondContact O-N 2.91Å; V147-T150 VanDerWaalsContact O-N 3.11Å; V147-T150 PolarHBondContact O-OG1 3.29Å; T150-F158 WeakPolarHBondContact O-CA 3.38Å; T150-F158 PolarHBondContact O-N 2.89Å; T150-L159 HydrophobicContact CG2-CB 4.15Å; T150-L159 HydrophobicContact CG2-CD2 3.74Å; T150-L159 PolarHBondContact O-N 3.33Å
151V95Very high88.8Confident45 Ų4557.9 Ų57.927%0.27330%0.303SS..BIsolated β-bridgetrans-120.6153.1179.2-60.40000112.6L149 E156 K416L149-V151 VanDerWaalsContact C-N 3.29Å; L149-V151 PolarHBondContact O-N 3.18Å; V151-E156 CarbonylContact C-O 3.49Å; V151-E156 WeakPolarHBondContact CA-O 3.3Å; V151-E156 WeakPolarHBondContact CB-O 3.43Å; V151-K416 WeakPolarHBondContact O-CD 3.24Å; V151-K416 WeakPolarHBondContact O-CE 3.26Å; V151-K416 PolarHBondContact O-NZ 2.69Å
152T92.9Very high90Very high6 Ų658.4 Ų58.44%0.03731%0.307CS..  trans-69.3176.5174.271.30000111.2R154 G155 E156 F158 T176T152-R154 PolarHBondContact O-N 3.47Å; T152-R154 PolarHBondContact OG1-N 2.96Å; T152-R154 VanDerWaalsContact OG1-N 3.11Å; T152-G155 PolarHBondContact O-N 2.98Å; T152-G155 VanDerWaalsContact O-N 3.11Å; T152-E156 HydrophobicContact CG2-CB 4.31Å; T152-E156 PolarHBondContact N-O 3.18Å; T152-E156 PolarHBondContact OG1-N 2.95Å; T152-F158 HydrophobicContact CG2-CB 3.77Å; T152-F158 HydrophobicContact CG2-CD2 4.03Å; T152-F158 HydrophobicContact CG2-CG 4.08Å; T152-T176 HydrophobicContact CG2-CG2 3.62Å
153S87.4Confident90.9Very high28 Ų2853.7 Ų53.720%0.19629%0.288CS..THydrogen-bonded Turntrans-62.8-16.917052.10000114.4R420S153-R420 WeakPolarHBondContact OG-CG 3.29Å
154R88Confident91.2Very high115 Ų11553.8 Ų53.843%0.43429%0.294SS..THydrogen-bonded Turntrans-91.1-5.6176.5-53.6-169.2-61.1-145.218.9112.8T152 E156 E178 E423T152-R154 PolarHBondContact O-N 3.47Å; T152-R154 PolarHBondContact OG1-N 2.96Å; T152-R154 VanDerWaalsContact OG1-N 3.11Å; R154-E156 HydrophobicContact CB-CG 4.4Å; R154-E156 IonicContact CZ-OE1 3.86Å; R154-E156 IonicContact CZ-OE2 3.83Å; R154-E156 IonicContact NE-OE1 3.56Å; R154-E156 IonicContact NE-OE2 3.34Å; R154-E156 PolarHBondContact NE-OE2 3.32Å; R154-E156 IonicContact NH2-OE1 2.77Å; R154-E156 PolarHBondContact NH2-OE1 2.87Å; R154-E156 IonicContact NH2-OE2 3.77Å; R154-E156 PolarHBondContact NH2-OE2 2.54Å; R154-E178 IonicContact CZ-OE2 2.99Å; R154-E178 IonicContact NH1-OE2 3.46Å; R154-E178 IonicContact NH2-OE2 2.71Å; R154-E178 PolarHBondContact NH2-OE2 3.5Å; R154-E423 VanDerWaalsContact CZ-CD 3.47Å; R154-E423 IonicContact CZ-OE1 2.64Å; R154-E423 IonicContact CZ-OE2 3.47Å; R154-E423 IonicContact NE-OE2 3.26Å; R154-E423 PolarHBondContact NE-OE2 2.85Å; R154-E423 IonicContact NH1-OE1 2.77Å; R154-E423 IonicContact NH1-OE2 2.73Å; R154-E423 PolarHBondContact NH1-OE2 3.49Å
155G90.2Very high90.8Very high53 Ų5349.9 Ų49.955%0.54628%0.278SS..SBendtrans83.211-176.200000114.4T152T152-G155 PolarHBondContact O-N 2.98Å; T152-G155 VanDerWaalsContact O-N 3.11Å
156E92.9Very high90.3Very high76 Ų7657.2 Ų57.236%0.35531%0.311SS..  trans-81.8154.2174.3-64.4165.8147.600110.6V151 T152 R154 F158V151-E156 CarbonylContact C-O 3.49Å; V151-E156 WeakPolarHBondContact CA-O 3.3Å; V151-E156 WeakPolarHBondContact CB-O 3.43Å; T152-E156 HydrophobicContact CG2-CB 4.31Å; T152-E156 PolarHBondContact N-O 3.18Å; T152-E156 PolarHBondContact OG1-N 2.95Å; R154-E156 HydrophobicContact CB-CG 4.4Å; R154-E156 IonicContact CZ-OE1 3.86Å; R154-E156 IonicContact CZ-OE2 3.83Å; R154-E156 IonicContact NE-OE1 3.56Å; R154-E156 IonicContact NE-OE2 3.34Å; R154-E156 PolarHBondContact NE-OE2 3.32Å; R154-E156 IonicContact NH2-OE1 2.77Å; R154-E156 PolarHBondContact NH2-OE1 2.87Å; R154-E156 IonicContact NH2-OE2 3.77Å; R154-E156 PolarHBondContact NH2-OE2 2.54Å; E156-F158 PolarHBondContact O-N 3.06Å
157P94.3Very high89.9Confident84 Ų8457.3 Ų57.355%0.54531%0.31SS..BIsolated β-bridgetrans-52.3132.5171.3-25.335000111.6M160P157-M160 HydrophobicContact CB-SD 4.04Å
158F96.5Very high89.2Confident0 Ų057.3 Ų57.30%031%0.306CS..  trans-123.7-46.5177.6-172.8-134.9000111.9T150 T152 E156 M160 F174 C175 T176 Y221 K416 Q419T150-F158 WeakPolarHBondContact O-CA 3.38Å; T150-F158 PolarHBondContact O-N 2.89Å; T152-F158 HydrophobicContact CG2-CB 3.77Å; T152-F158 HydrophobicContact CG2-CD2 4.03Å; T152-F158 HydrophobicContact CG2-CG 4.08Å; E156-F158 PolarHBondContact O-N 3.06Å; F158-M160 PolarHBondContact O-N 3.4Å; F158-F174 HydrophobicContact CD1-CB 4.26Å; F158-F174 AromaticContact CD1-CD1 3.58Å; F158-F174 HydrophobicContact CD1-CD1 3.58Å; F158-F174 HydrophobicContact CD1-CE1 4.41Å; F158-F174 HydrophobicContact CD1-CG 4.33Å; F158-F174 HydrophobicContact CD2-CB 4.24Å; F158-F174 HydrophobicContact CE1-CB 3.88Å; F158-F174 AromaticContact CE1-CD1 3.72Å; F158-F174 HydrophobicContact CE1-CD1 3.72Å; F158-F174 HydrophobicContact CE1-CG 4.1Å; F158-F174 HydrophobicContact CE2-CB 3.87Å; F158-F174 HydrophobicContact CG-CB 4.43Å; F158-F174 HydrophobicContact CG-CD1 4.16Å; F158-F174 HydrophobicContact CZ-CB 3.69Å; F158-F174 HydrophobicContact CZ-CD1 4.4Å; F158-F174 HydrophobicContact CZ-CG 4.39Å; F158-F174 CarbonylContact O-C 3.46Å; F158-F174 WeakPolarHBondContact O-CA 3.43Å; F158-C175 CarbonylContact C-O 3.53Å; F158-C175 WeakPolarHBondContact CA-O 3.33Å; F158-C175 PolarHBondContact O-N 2.86Å; F158-T176 HydrophobicContact CD2-CG2 4.13Å; F158-Y221 HydrophobicContact CE2-CD2 4.32Å; F158-Y221 HydrophobicContact CE2-CE2 4.36Å; F158-Y221 HydrophobicContact CZ-CD2 4.05Å; F158-Y221 HydrophobicContact CZ-CE2 4.18Å; F158-K416 HydrophobicContact CD1-CD 4.34Å; F158-K416 HydrophobicContact CD1-CG 3.57Å; F158-K416 HydrophobicContact CE1-CB 4.42Å; F158-K416 HydrophobicContact CE1-CG 3.51Å; F158-Q419 HydrophobicContact CD2-CG 4.26Å; F158-Q419 HydrophobicContact CE2-CB 3.94Å; F158-Q419 HydrophobicContact CE2-CG 3.73Å; F158-Q419 HydrophobicContact CZ-CB 3.9Å; F158-Q419 HydrophobicContact CZ-CG 4.21Å
159L96.6Very high88.6Confident32 Ų3254.1 Ų54.117%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-76103.6167.618064.8000107.7I145 T150 H161 D162 L172 F174I145-L159 HydrophobicContact CB-CD2 4.27Å; I145-L159 HydrophobicContact CG1-CD2 4.32Å; I145-L159 HydrophobicContact CG2-CD2 4.28Å; T150-L159 HydrophobicContact CG2-CB 4.15Å; T150-L159 HydrophobicContact CG2-CD2 3.74Å; T150-L159 PolarHBondContact O-N 3.33Å; L159-H161 WeakPolarHBondContact CD1-O 3.16Å; L159-D162 HydrophobicContact CD2-CB 4.27Å; L159-L172 HydrophobicContact CD1-CB 4.13Å; L159-L172 HydrophobicContact CD1-CD2 4.28Å; L159-F174 HydrophobicContact CB-CD1 4.04Å; L159-F174 HydrophobicContact CB-CE1 3.83Å; L159-F174 HydrophobicContact CD1-CD1 4.12Å; L159-F174 HydrophobicContact CD1-CD2 4.47Å; L159-F174 HydrophobicContact CD1-CE1 3.73Å; L159-F174 HydrophobicContact CD1-CE2 4.1Å; L159-F174 HydrophobicContact CD1-CG 4.49Å; L159-F174 HydrophobicContact CD1-CZ 3.71Å; L159-F174 HydrophobicContact CG-CE1 4.29Å
160M95.7Very high88.4Confident41 Ų4154.1 Ų54.120%0.20230%0.296CS..EExtended strand (participates in β ladder)trans-92.2-24.7-175.7-66.4-63.7-69.500112.4P157 F158 L173 C175 L180 L242P157-M160 HydrophobicContact CB-SD 4.04Å; F158-M160 PolarHBondContact O-N 3.4Å; M160-L173 PolarHBondContact N-O 3.17Å; M160-C175 HydrophobicContact CG-CB 4.02Å; M160-C175 VanDerWaalsContact CG-O 3.31Å; M160-C175 WeakPolarHBondContact CG-O 3.27Å; M160-L180 HydrophobicContact CE-CD1 4.37Å; M160-L242 HydrophobicContact CB-CD1 3.88Å; M160-L242 HydrophobicContact CB-CD2 4.37Å; M160-L242 HydrophobicContact CE-CD2 4.29Å
161H95.1Very high88.2Confident33 Ų3352.6 Ų52.615%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-151.5138.7175.7175.481.4000110.1L159 S163 L173 Y234 K238L159-H161 WeakPolarHBondContact CD1-O 3.16Å; H161-S163 PolarHBondContact NE2-N 2.67Å; H161-L173 HydrophobicContact CB-CB 4.07Å; H161-L173 HydrophobicContact CB-CD1 3.97Å; H161-L173 HydrophobicContact CB-CG 4.4Å; H161-L173 PolarHBondContact N-O 2.85Å; H161-L173 PolarHBondContact O-N 3.28Å; H161-Y234 PolarHBondContact CE1-OH 3.25Å; H161-Y234 AromaticContact NE2-CE1 3.54Å; H161-Y234 AromaticContact NE2-CZ 3.68Å; H161-Y234 PolarHBondContact NE2-OH 2.93Å; H161-K238 VanDerWaalsContact CE1-CE 3.49Å; H161-K238 WeakPolarHBondContact CE1-CE 3.41Å
162D93.4Very high88.2Confident53 Ų5350.5 Ų50.528%0.28327%0.274SS..EExtended strand (participates in β ladder)trans-135.4117.2170.2-179.5-8.9000105.3L159 G164 R170 V171 L172L159-D162 HydrophobicContact CD2-CB 4.27Å; D162-G164 PolarHBondContact O-N 2.77Å; D162-G164 PolarHBondContact OD1-N 2.69Å; D162-R170 IonicContact OD1-CZ 2.79Å; D162-R170 IonicContact OD1-NE 3.19Å; D162-R170 PolarHBondContact OD1-NE 2.83Å; D162-R170 IonicContact OD1-NH2 2.83Å; D162-R170 PolarHBondContact OD1-NH2 3.07Å; D162-R170 IonicContact OD2-CZ 2.79Å; D162-R170 IonicContact OD2-NE 2.82Å; D162-R170 IonicContact OD2-NH2 3.1Å; D162-R170 PolarHBondContact OD2-NH2 3.43Å; D162-V171 WeakPolarHBondContact CA-O 3.18Å; D162-L172 HydrophobicContact CB-CD2 3.76Å; D162-L172 VanDerWaalsContact OD1-CD2 3.26Å; D162-L172 WeakPolarHBondContact OD1-CD2 3.24Å; D162-L172 WeakPolarHBondContact OD2-CD2 3.35Å
163S90.5Very high88.3Confident28 Ų2850.2 Ų50.220%0.19627%0.272CS..  trans-71.7-7.6-179.263.90000113.6H161 D167 R170 V171 Y234H161-S163 PolarHBondContact NE2-N 2.67Å; S163-D167 WeakPolarHBondContact CB-OD2 3.39Å; S163-D167 PolarHBondContact OG-OD2 3.38Å; S163-R170 VanDerWaalsContact OG-CA 3.29Å; S163-R170 WeakPolarHBondContact OG-CA 3.46Å; S163-V171 PolarHBondContact N-O 2.87Å; S163-V171 VanDerWaalsContact N-O 3.12Å; S163-V171 PolarHBondContact OG-N 2.88Å; S163-Y234 WeakPolarHBondContact CB-OH 3.44Å
164G83.5Confident88.8Confident24 Ų2448.9 Ų48.925%0.24726%0.263CS..  trans99.5160171.800000113.1D162 E166 D167 R170D162-G164 PolarHBondContact O-N 2.77Å; D162-G164 PolarHBondContact OD1-N 2.69Å; G164-E166 PolarHBondContact O-N 3.19Å; G164-D167 WeakPolarHBondContact O-CB 3.35Å; G164-D167 PolarHBondContact O-N 2.86Å; G164-R170 VanDerWaalsContact O-CD 3.3Å; G164-R170 WeakPolarHBondContact O-CD 3.2Å; G164-R170 WeakPolarHBondContact O-CG 3.41Å
165I75.9Confident89.2Confident74 Ų7443.4 Ų43.438%0.37924%0.243SC..THydrogen-bonded Turntrans-65.2-24.1-179.561.3173.4000113.4E141 D167E141-I165 VanDerWaalsContact O-CA 3.29Å; E141-I165 WeakPolarHBondContact O-CA 3.42Å; E141-I165 WeakPolarHBondContact O-CB 3.47Å; E141-I165 WeakPolarHBondContact O-CG2 3.34Å; I165-D167 VanDerWaalsContact C-N 3.28Å; I165-D167 PolarHBondContact O-N 2.97Å
166E75.3Confident89.5Confident175 Ų17541 Ų4182%0.81822%0.217SC*.THydrogen-bonded Turntrans-80.2-10179.3-56.4-59.6151.200112.9G164G164-E166 PolarHBondContact O-N 3.19Å
167D79.2Confident89.7Confident38 Ų3839.9 Ų39.920%0.20321%0.213CC..  trans-87.7111.8176.8-171.9-7.3000109.2S163 G164 I165 K169 R170S163-D167 WeakPolarHBondContact CB-OD2 3.39Å; S163-D167 PolarHBondContact OG-OD2 3.38Å; G164-D167 WeakPolarHBondContact O-CB 3.35Å; G164-D167 PolarHBondContact O-N 2.86Å; I165-D167 VanDerWaalsContact C-N 3.28Å; I165-D167 PolarHBondContact O-N 2.97Å; D167-K169 PolarHBondContact O-N 3.33Å; D167-K169 WeakPolarHBondContact OD1-CA 3.48Å; D167-K169 WeakPolarHBondContact OD1-CB 3.29Å; D167-K169 PolarHBondContact OD1-N 3.2Å; D167-R170 WeakPolarHBondContact O-CB 3.36Å; D167-R170 PolarHBondContact O-N 2.93Å
168D73.2Confident89.7Confident116 Ų11638.3 Ų38.362%0.6220%0.199SC*.THydrogen-bonded Turntrans-59.4-19.317569.4-35.5000112.4T225D168-T225 PolarHBondContact O-OG1 3.34Å
169K78.1Confident89.7Confident77 Ų7738.3 Ų38.334%0.33520%0.199SC..THydrogen-bonded Turntrans-108.432.1176.3-62.4173.4-169.1176.70111.8D167 V171 T225 D230D167-K169 PolarHBondContact O-N 3.33Å; D167-K169 WeakPolarHBondContact OD1-CA 3.48Å; D167-K169 WeakPolarHBondContact OD1-CB 3.29Å; D167-K169 PolarHBondContact OD1-N 3.2Å; K169-V171 WeakPolarHBondContact O-CG2 3.46Å; K169-V171 PolarHBondContact O-N 3.39Å; K169-V171 VanDerWaalsContact O-N 3.16Å; K169-T225 WeakPolarHBondContact CA-OG1 3.26Å; K169-D230 IonicContact NZ-OD2 3.63Å; K169-D230 PolarHBondContact NZ-OD2 2.94Å
170R87.5Confident89.7Confident3 Ų336.8 Ų36.81%0.01119%0.191CC..  trans-42122.3-174.8-169.7172.9178.6-162.11.1112.4L140 I143 D162 S163 G164 D167L140-R170 HydrophobicContact CG-CB 4.47Å; L140-R170 PolarHBondContact O-NH1 2.88Å; I143-R170 PolarHBondContact O-NH1 3Å; I143-R170 PolarHBondContact O-NH2 3.07Å; I143-R170 VanDerWaalsContact O-NH2 3.11Å; D162-R170 IonicContact OD1-CZ 2.79Å; D162-R170 IonicContact OD1-NE 3.19Å; D162-R170 PolarHBondContact OD1-NE 2.83Å; D162-R170 IonicContact OD1-NH2 2.83Å; D162-R170 PolarHBondContact OD1-NH2 3.07Å; D162-R170 IonicContact OD2-CZ 2.79Å; D162-R170 IonicContact OD2-NE 2.82Å; D162-R170 IonicContact OD2-NH2 3.1Å; D162-R170 PolarHBondContact OD2-NH2 3.43Å; S163-R170 VanDerWaalsContact OG-CA 3.29Å; S163-R170 WeakPolarHBondContact OG-CA 3.46Å; G164-R170 VanDerWaalsContact O-CD 3.3Å; G164-R170 WeakPolarHBondContact O-CD 3.2Å; G164-R170 WeakPolarHBondContact O-CG 3.41Å; D167-R170 WeakPolarHBondContact O-CB 3.36Å; D167-R170 PolarHBondContact O-N 2.93Å
171V91.2Very high89.8Confident4 Ų441 Ų412%0.02421%0.205CC..  trans-115.3123.9177.4-179.90000109D162 S163 K169 L173 T224 Y234 V235D162-V171 WeakPolarHBondContact CA-O 3.18Å; S163-V171 PolarHBondContact N-O 2.87Å; S163-V171 VanDerWaalsContact N-O 3.12Å; S163-V171 PolarHBondContact OG-N 2.88Å; K169-V171 WeakPolarHBondContact O-CG2 3.46Å; K169-V171 PolarHBondContact O-N 3.39Å; K169-V171 VanDerWaalsContact O-N 3.16Å; V171-L173 HydrophobicContact CG1-CD1 4.48Å; V171-L173 HydrophobicContact CG1-CD2 4.17Å; V171-L173 HydrophobicContact CG1-CG 3.96Å; V171-T224 HydrophobicContact CG1-CG2 4.37Å; V171-T224 HydrophobicContact CG2-CG2 4.38Å; V171-Y234 HydrophobicContact CB-CD1 4.13Å; V171-Y234 HydrophobicContact CB-CE1 4.01Å; V171-Y234 HydrophobicContact CG1-CD1 4.42Å; V171-Y234 HydrophobicContact CG2-CD1 3.82Å; V171-Y234 HydrophobicContact CG2-CE1 4.1Å; V171-V235 HydrophobicContact CG1-CG2 3.79Å
172L94.1Very high89.8Confident0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-104.4121.9169.9-54.7174.6000109.3L140 I145 L159 D162 F174 A222 I223 L408L140-L172 HydrophobicContact CD1-CD1 4.05Å; I145-L172 HydrophobicContact CD1-CD1 3.77Å; I145-L172 HydrophobicContact CG1-CD1 4.19Å; I145-L172 HydrophobicContact CG1-CD2 4.31Å; L159-L172 HydrophobicContact CD1-CB 4.13Å; L159-L172 HydrophobicContact CD1-CD2 4.28Å; D162-L172 HydrophobicContact CB-CD2 3.76Å; D162-L172 VanDerWaalsContact OD1-CD2 3.26Å; D162-L172 WeakPolarHBondContact OD1-CD2 3.24Å; D162-L172 WeakPolarHBondContact OD2-CD2 3.35Å; L172-F174 HydrophobicContact CB-CD2 4.41Å; L172-F174 HydrophobicContact CB-CE2 3.65Å; L172-F174 HydrophobicContact CB-CZ 4.27Å; L172-F174 HydrophobicContact CD1-CE2 4.38Å; L172-A222 CarbonylContact O-C 3.47Å; L172-A222 VanDerWaalsContact O-CA 3.28Å; L172-A222 WeakPolarHBondContact O-CA 3.42Å; L172-I223 HydrophobicContact CB-CB 4.27Å; L172-I223 PolarHBondContact N-O 3Å; L172-I223 PolarHBondContact O-N 3.14Å; L172-L408 HydrophobicContact CD1-CD1 3.96Å; L172-L408 HydrophobicContact CD1-CD2 3.97Å; L172-L408 HydrophobicContact CD1-CG 4.43Å
173L96.2Very high89.9Confident0 Ų038.6 Ų38.60%019%0.191CC..EExtended strand (participates in β ladder)trans-111117.8177.3-65.9167.6000110.5M160 H161 V171 L220 A222 V235 K238M160-L173 PolarHBondContact N-O 3.17Å; H161-L173 HydrophobicContact CB-CB 4.07Å; H161-L173 HydrophobicContact CB-CD1 3.97Å; H161-L173 HydrophobicContact CB-CG 4.4Å; H161-L173 PolarHBondContact N-O 2.85Å; H161-L173 PolarHBondContact O-N 3.28Å; V171-L173 HydrophobicContact CG1-CD1 4.48Å; V171-L173 HydrophobicContact CG1-CD2 4.17Å; V171-L173 HydrophobicContact CG1-CG 3.96Å; L173-L220 HydrophobicContact CD2-CD2 3.98Å; L173-A222 HydrophobicContact CD2-CB 3.46Å; L173-A222 VanDerWaalsContact CD2-CB 3.46Å; L173-V235 HydrophobicContact CD2-CG1 3.9Å; L173-V235 HydrophobicContact CD2-CG2 4.39Å; L173-K238 HydrophobicContact CD1-CB 3.45Å; L173-K238 VanDerWaalsContact CD1-CB 3.45Å; L173-K238 HydrophobicContact CD1-CG 4.16Å
174F97.6Very high90.2Very high0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-105.9121.1175.5-59.9-91.8000110.7F158 L159 L172 L220 Y221 I223 V412F158-F174 HydrophobicContact CD1-CB 4.26Å; F158-F174 AromaticContact CD1-CD1 3.58Å; F158-F174 HydrophobicContact CD1-CD1 3.58Å; F158-F174 HydrophobicContact CD1-CE1 4.41Å; F158-F174 HydrophobicContact CD1-CG 4.33Å; F158-F174 HydrophobicContact CD2-CB 4.24Å; F158-F174 HydrophobicContact CE1-CB 3.88Å; F158-F174 AromaticContact CE1-CD1 3.72Å; F158-F174 HydrophobicContact CE1-CD1 3.72Å; F158-F174 HydrophobicContact CE1-CG 4.1Å; F158-F174 HydrophobicContact CE2-CB 3.87Å; F158-F174 HydrophobicContact CG-CB 4.43Å; F158-F174 HydrophobicContact CG-CD1 4.16Å; F158-F174 HydrophobicContact CZ-CB 3.69Å; F158-F174 HydrophobicContact CZ-CD1 4.4Å; F158-F174 HydrophobicContact CZ-CG 4.39Å; F158-F174 CarbonylContact O-C 3.46Å; F158-F174 WeakPolarHBondContact O-CA 3.43Å; L159-F174 HydrophobicContact CB-CD1 4.04Å; L159-F174 HydrophobicContact CB-CE1 3.83Å; L159-F174 HydrophobicContact CD1-CD1 4.12Å; L159-F174 HydrophobicContact CD1-CD2 4.47Å; L159-F174 HydrophobicContact CD1-CE1 3.73Å; L159-F174 HydrophobicContact CD1-CE2 4.1Å; L159-F174 HydrophobicContact CD1-CG 4.49Å; L159-F174 HydrophobicContact CD1-CZ 3.71Å; L159-F174 HydrophobicContact CG-CE1 4.29Å; L172-F174 HydrophobicContact CB-CD2 4.41Å; L172-F174 HydrophobicContact CB-CE2 3.65Å; L172-F174 HydrophobicContact CB-CZ 4.27Å; L172-F174 HydrophobicContact CD1-CE2 4.38Å; F174-L220 WeakPolarHBondContact O-CA 3.36Å; F174-Y221 HydrophobicContact CB-CD2 4.31Å; F174-Y221 PolarHBondContact N-O 2.79Å; F174-Y221 PolarHBondContact O-N 3.27Å; F174-I223 HydrophobicContact CD2-CD1 4.49Å; F174-I223 HydrophobicContact CE2-CD1 3.88Å; F174-I223 HydrophobicContact CE2-CG1 4.36Å; F174-V412 HydrophobicContact CD1-CG1 4.28Å; F174-V412 HydrophobicContact CE1-CG1 3.5Å; F174-V412 HydrophobicContact CE1-CG2 4.12Å; F174-V412 HydrophobicContact CE2-CG2 3.91Å; F174-V412 HydrophobicContact CZ-CB 4.28Å; F174-V412 HydrophobicContact CZ-CG1 3.74Å; F174-V412 HydrophobicContact CZ-CG2 3.44Å; F174-V412 VanDerWaalsContact CZ-CG2 3.44Å
175C97Very high90.8Very high1 Ų141.4 Ų41.41%0.00721%0.206CC..  trans-160.2174.3-179.5-166.70000109F158 M160 L219 L220F158-C175 CarbonylContact C-O 3.53Å; F158-C175 WeakPolarHBondContact CA-O 3.33Å; F158-C175 PolarHBondContact O-N 2.86Å; M160-C175 HydrophobicContact CG-CB 4.02Å; M160-C175 VanDerWaalsContact CG-O 3.31Å; M160-C175 WeakPolarHBondContact CG-O 3.27Å; C175-L219 PolarHBondContact SG-O 3.37Å; C175-L219 VanDerWaalsContact SG-O 3.34Å; C175-L220 HydrophobicContact CB-CB 4.37Å; C175-L220 HydrophobicContact CB-CD1 3.99Å; C175-L220 HydrophobicContact CB-CG 4.19Å
176T96.4Very high91.6Very high3 Ų338 Ų382%0.01819%0.19CC..  trans-127.3159.6171.269.10000109.5T152 F158 E178 N179 L180T152-T176 HydrophobicContact CG2-CG2 3.62Å; F158-T176 HydrophobicContact CD2-CG2 4.13Å; T176-E178 PolarHBondContact O-N 3.32Å; T176-E178 PolarHBondContact OG1-N 2.98Å; T176-N179 PolarHBondContact O-N 2.73Å; T176-N179 VanDerWaalsContact O-N 3.12Å; T176-N179 WeakPolarHBondContact OG1-CB 3.12Å; T176-N179 PolarHBondContact OG1-N 2.52Å; T176-N179 PolarHBondContact OG1-OD1 2.8Å; T176-L180 PolarHBondContact O-N 3.34Å
177D95.8Very high92.5Very high51 Ų5134.3 Ų34.327%0.27318%0.179SC..Hα-helixtrans-55.9-34.1172.3-80.5-6.8000111.7R181 K246D177-R181 WeakPolarHBondContact O-CG 3.42Å; D177-R181 PolarHBondContact O-N 2.95Å; D177-R181 PolarHBondContact O-NH1 2.8Å; D177-K246 VanDerWaalsContact CG-NZ 3.25Å; D177-K246 WeakPolarHBondContact OD1-CE 2.91Å; D177-K246 IonicContact OD1-NZ 2.79Å; D177-K246 PolarHBondContact OD1-NZ 3.1Å; D177-K246 IonicContact OD2-NZ 3.69Å; D177-K246 PolarHBondContact OD2-NZ 2.81Å
178E95.3Very high93.1Very high52 Ų5232.7 Ų32.724%0.24317%0.17CC..Hα-helixtrans-68.4-46.2175.8-156-171.2160.800111.8R154 T176 L180 R181 Y182R154-E178 IonicContact CZ-OE2 2.99Å; R154-E178 IonicContact NH1-OE2 3.46Å; R154-E178 IonicContact NH2-OE2 2.71Å; R154-E178 PolarHBondContact NH2-OE2 3.5Å; T176-E178 PolarHBondContact O-N 3.32Å; T176-E178 PolarHBondContact OG1-N 2.98Å; E178-L180 VanDerWaalsContact C-N 3.31Å; E178-L180 PolarHBondContact O-N 3.19Å; E178-R181 WeakPolarHBondContact O-CB 3.04Å; E178-R181 PolarHBondContact O-N 2.87Å; E178-Y182 HydrophobicContact CG-CD2 4.42Å; E178-Y182 HydrophobicContact CG-CE2 3.63Å; E178-Y182 VanDerWaalsContact O-CD2 3.28Å; E178-Y182 WeakPolarHBondContact O-CD2 3.43Å; E178-Y182 PolarHBondContact O-N 3.43Å; E178-Y182 VanDerWaalsContact O-N 3.09Å; E178-Y182 WeakPolarHBondContact OE1-CE2 3.47Å; E178-Y182 PolarHBondContact OE1-OH 3.14Å
179N96.6Very high94.1Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-61.9-38.4176.7-71.56.6000111.8T176 R181 Y182 L183 L219 Q419T176-N179 PolarHBondContact O-N 2.73Å; T176-N179 VanDerWaalsContact O-N 3.12Å; T176-N179 WeakPolarHBondContact OG1-CB 3.12Å; T176-N179 PolarHBondContact OG1-N 2.52Å; T176-N179 PolarHBondContact OG1-OD1 2.8Å; N179-R181 VanDerWaalsContact C-N 3.29Å; N179-R181 PolarHBondContact O-N 3.25Å; N179-Y182 PolarHBondContact O-N 3.14Å; N179-L183 WeakPolarHBondContact O-CB 2.78Å; N179-L183 PolarHBondContact O-N 2.69Å; N179-L219 HydrophobicContact CB-CB 4.14Å; N179-L219 HydrophobicContact CB-CD2 4.17Å; N179-L219 VanDerWaalsContact CB-O 3.23Å; N179-L219 WeakPolarHBondContact CB-O 3.22Å; N179-L219 PolarHBondContact ND2-O 2.89Å; N179-Q419 PolarHBondContact ND2-NE2 2.93Å; N179-Q419 PolarHBondContact ND2-OE1 2.87Å; N179-Q419 PolarHBondContact OD1-NE2 3.44Å
180L96.6Very high94.8Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-61.2-36.1173.5-75.2174.7000112.2M160 T176 E178 L183 S184 L242 L248M160-L180 HydrophobicContact CE-CD1 4.37Å; T176-L180 PolarHBondContact O-N 3.34Å; E178-L180 VanDerWaalsContact C-N 3.31Å; E178-L180 PolarHBondContact O-N 3.19Å; L180-L183 HydrophobicContact CD2-CD2 4.5Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-S184 WeakPolarHBondContact O-CB 3.29Å; L180-S184 PolarHBondContact O-N 3.36Å; L180-L242 HydrophobicContact CD1-CB 3.99Å; L180-L248 HydrophobicContact CB-CD1 4.01Å
181R96.7Very high95.1Very high129 Ų12923.8 Ų23.849%0.48713%0.127SC..Hα-helixtrans-65.3-46.4173.8-67.5179.6-165100.3-0.3111.1D177 E178 N179 L183 S184 S185 L248D177-R181 WeakPolarHBondContact O-CG 3.42Å; D177-R181 PolarHBondContact O-N 2.95Å; D177-R181 PolarHBondContact O-NH1 2.8Å; E178-R181 WeakPolarHBondContact O-CB 3.04Å; E178-R181 PolarHBondContact O-N 2.87Å; N179-R181 VanDerWaalsContact C-N 3.29Å; N179-R181 PolarHBondContact O-N 3.25Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.99Å; R181-S184 PolarHBondContact O-N 3.15Å; R181-S184 PolarHBondContact O-OG 2.75Å; R181-S185 PolarHBondContact O-N 3.4Å; R181-S185 PolarHBondContact O-OG 3.28Å; R181-L248 HydrophobicContact CG-CD1 3.82Å; R181-L248 HydrophobicContact CG-CD2 4.12Å
182Y96.3Very high95Very high33 Ų3324.4 Ų24.413%0.12913%0.129CC..Hα-helixtrans-60.6-39.9175.4-64.7-52.9000112.1E178 N179 S185 S186 L212 L219 I426 L430E178-Y182 HydrophobicContact CG-CD2 4.42Å; E178-Y182 HydrophobicContact CG-CE2 3.63Å; E178-Y182 VanDerWaalsContact O-CD2 3.28Å; E178-Y182 WeakPolarHBondContact O-CD2 3.43Å; E178-Y182 PolarHBondContact O-N 3.43Å; E178-Y182 VanDerWaalsContact O-N 3.09Å; E178-Y182 WeakPolarHBondContact OE1-CE2 3.47Å; E178-Y182 PolarHBondContact OE1-OH 3.14Å; N179-Y182 PolarHBondContact O-N 3.14Å; Y182-S185 WeakPolarHBondContact CA-OG 3.21Å; Y182-S185 PolarHBondContact O-N 3.22Å; Y182-S185 PolarHBondContact O-OG 3.33Å; Y182-S186 PolarHBondContact O-N 2.86Å; Y182-S186 VanDerWaalsContact O-N 3.08Å; Y182-S186 PolarHBondContact O-OG 3.45Å; Y182-L212 HydrophobicContact CD1-CD1 4.08Å; Y182-L212 HydrophobicContact CD1-CD2 4.26Å; Y182-L212 HydrophobicContact CE1-CD1 4.17Å; Y182-L212 HydrophobicContact CE1-CD2 4.07Å; Y182-L219 HydrophobicContact CD2-CD2 4.16Å; Y182-L219 HydrophobicContact CG-CD2 4.43Å; Y182-I426 HydrophobicContact CD2-CD1 4.1Å; Y182-I426 HydrophobicContact CE1-CG2 4.34Å; Y182-I426 HydrophobicContact CE2-CD1 3.9Å; Y182-I426 HydrophobicContact CE2-CG2 3.7Å; Y182-I426 VanDerWaalsContact OH-CG2 3.26Å; Y182-I426 WeakPolarHBondContact OH-CG2 3.38Å; Y182-L430 WeakPolarHBondContact OH-CD1 3.41Å
183L96.1Very high94.7Very high2 Ų224.8 Ų24.81%0.0113%0.134CC..Hα-helixtrans-63-43.4176.2-166.873.2000110.9N179 L180 R181 S185 S186 L189 V208 L219 I239 V250N179-L183 WeakPolarHBondContact O-CB 2.78Å; N179-L183 PolarHBondContact O-N 2.69Å; L180-L183 HydrophobicContact CD2-CD2 4.5Å; L180-L183 PolarHBondContact O-N 2.92Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.99Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 3.48Å; L183-S186 PolarHBondContact O-N 3.09Å; L183-L189 HydrophobicContact CD1-CD1 4.2Å; L183-L189 HydrophobicContact CD1-CD2 3.39Å; L183-L189 HydrophobicContact CD1-CG 4.44Å; L183-L189 HydrophobicContact CG-CD2 4.32Å; L183-V208 HydrophobicContact CD1-CG1 3.65Å; L183-L219 HydrophobicContact CB-CD1 4.08Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å; L183-I239 HydrophobicContact CD2-CG2 3.5Å; L183-I239 VanDerWaalsContact CD2-CG2 3.5Å; L183-V250 HydrophobicContact CD2-CG1 4.37Å; L183-V250 HydrophobicContact CD2-CG2 4.14Å; L183-V250 HydrophobicContact CG-CG1 4.22Å; L183-V250 HydrophobicContact CG-CG2 4.26Å
184S96.1Very high94.4Very high34 Ų3424.9 Ų24.924%0.23813%0.134CC..Hα-helixtrans-64.3-30.7176.178.90000113.5L180 R181 S186 K249L180-S184 WeakPolarHBondContact O-CB 3.29Å; L180-S184 PolarHBondContact O-N 3.36Å; R181-S184 PolarHBondContact O-N 3.15Å; R181-S184 PolarHBondContact O-OG 2.75Å; S184-S186 VanDerWaalsContact C-N 3.35Å; S184-K249 WeakPolarHBondContact CB-O 3.35Å
185S94.9Very high93.8Very high77 Ų7727.8 Ų27.854%0.53816%0.155SC..Hα-helixtrans-83.5-10.417766.90000113.9R181 Y182 L183R181-S185 PolarHBondContact O-N 3.4Å; R181-S185 PolarHBondContact O-OG 3.28Å; Y182-S185 WeakPolarHBondContact CA-OG 3.21Å; Y182-S185 PolarHBondContact O-N 3.22Å; Y182-S185 PolarHBondContact O-OG 3.33Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 3.48Å
186S94.5Very high93.3Very high4 Ų428.8 Ų28.83%0.02816%0.163CC..  trans-85.8116.5-177-64.80000110.5Y182 L183 S184 M188 G210 V211Y182-S186 PolarHBondContact O-N 2.86Å; Y182-S186 VanDerWaalsContact O-N 3.08Å; Y182-S186 PolarHBondContact O-OG 3.45Å; L183-S186 PolarHBondContact O-N 3.09Å; S184-S186 VanDerWaalsContact C-N 3.35Å; S186-M188 VanDerWaalsContact C-N 3.31Å; S186-G210 VanDerWaalsContact OG-CA 3.31Å; S186-G210 WeakPolarHBondContact OG-CA 3.27Å; S186-V211 PolarHBondContact OG-N 3.04Å
187T93.1Very high92.4Very high97 Ų9732.8 Ų32.860%0.59519%0.188SC*.SBendtrans-77.2-22.9171.155.30000112.3P252 S253 L254T187-P252 CarbonylContact O-C 3.54Å; T187-P252 WeakPolarHBondContact O-CA 3.12Å; T187-S253 PolarHBondContact O-N 2.72Å; T187-S253 PolarHBondContact O-OG 3.28Å; T187-S253 VanDerWaalsContact O-OG 3.09Å; T187-L254 PolarHBondContact O-N 2.95Å
188M91.9Very high91.3Very high3 Ų336.3 Ų36.32%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-117.5129.1177.5175.6-176.3-84.300109.2S186 F190 V211 L254 E383 K386S186-M188 VanDerWaalsContact C-N 3.31Å; M188-F190 HydrophobicContact CG-CE1 4.37Å; M188-F190 HydrophobicContact CG-CE2 4.09Å; M188-F190 HydrophobicContact CG-CZ 3.88Å; M188-F190 HydrophobicContact SD-CE1 4.1Å; M188-F190 HydrophobicContact SD-CE2 3.99Å; M188-F190 HydrophobicContact SD-CZ 3.39Å; M188-F190 WeakPolarHBondContact SD-CZ 3.47Å; M188-V211 HydrophobicContact CB-CG2 4.17Å; M188-V211 HydrophobicContact CG-CG2 4.24Å; M188-V211 HydrophobicContact SD-CG2 4.17Å; M188-L254 CarbonylContact C-O 3.45Å; M188-L254 VanDerWaalsContact CA-O 3.26Å; M188-L254 WeakPolarHBondContact CA-O 3.45Å; M188-L254 HydrophobicContact CE-CD2 3.35Å; M188-L254 HydrophobicContact CE-CG 4.07Å; M188-E383 HydrophobicContact CE-CB 4.04Å; M188-E383 HydrophobicContact CE-CG 3.96Å; M188-K386 HydrophobicContact CE-CD 4.33Å; M188-K386 HydrophobicContact SD-CD 3.42Å; M188-K386 WeakPolarHBondContact SD-CD 3.18Å
189L94.8Very high90.3Very high6 Ų635.2 Ų35.23%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-116.8151.7172.5-60.1179.9000110.6L183 V208 Y209 V250 P252 L254 C255 M256L183-L189 HydrophobicContact CD1-CD1 4.2Å; L183-L189 HydrophobicContact CD1-CD2 3.39Å; L183-L189 HydrophobicContact CD1-CG 4.44Å; L183-L189 HydrophobicContact CG-CD2 4.32Å; L189-V208 HydrophobicContact CD1-CG1 4.31Å; L189-V208 HydrophobicContact CD2-CG1 4.47Å; L189-Y209 WeakPolarHBondContact CA-O 3.27Å; L189-Y209 WeakPolarHBondContact CD2-O 3.48Å; L189-V250 HydrophobicContact CD1-CG1 4.41Å; L189-P252 HydrophobicContact CD1-CB 3.94Å; L189-P252 HydrophobicContact CD1-CG 3.84Å; L189-P252 HydrophobicContact CG-CB 3.92Å; L189-P252 HydrophobicContact CG-CG 4.38Å; L189-L254 PolarHBondContact N-O 2.76Å; L189-C255 WeakPolarHBondContact O-CA 3.49Å; L189-M256 PolarHBondContact O-N 3.23Å
190F92.7Very high89.2Confident3 Ų338.5 Ų38.51%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-116133165.7-49.2-88.5000108.8M188 V208 Y209 V211 P216 M256 K386 L390M188-F190 HydrophobicContact CG-CE1 4.37Å; M188-F190 HydrophobicContact CG-CE2 4.09Å; M188-F190 HydrophobicContact CG-CZ 3.88Å; M188-F190 HydrophobicContact SD-CE1 4.1Å; M188-F190 HydrophobicContact SD-CE2 3.99Å; M188-F190 HydrophobicContact SD-CZ 3.39Å; M188-F190 WeakPolarHBondContact SD-CZ 3.47Å; F190-V208 WeakPolarHBondContact O-CA 3.43Å; F190-Y209 HydrophobicContact CB-CD2 4.03Å; F190-Y209 HydrophobicContact CB-CG 4.32Å; F190-Y209 PolarHBondContact N-O 3.14Å; F190-Y209 WeakPolarHBondContact O-CD2 3.5Å; F190-Y209 PolarHBondContact O-N 3.23Å; F190-V211 HydrophobicContact CD2-CG2 4.44Å; F190-V211 HydrophobicContact CE2-CG2 3.59Å; F190-V211 HydrophobicContact CZ-CG2 4.39Å; F190-P216 HydrophobicContact CD2-CB 4.01Å; F190-P216 HydrophobicContact CD2-CG 4.3Å; F190-P216 HydrophobicContact CE2-CB 3.85Å; F190-P216 HydrophobicContact CE2-CG 3.66Å; F190-P216 HydrophobicContact CZ-CG 4.15Å; F190-M256 CarbonylContact C-O 3.6Å; F190-M256 VanDerWaalsContact CA-O 3.26Å; F190-M256 WeakPolarHBondContact CA-O 3.42Å; F190-M256 HydrophobicContact CD1-CB 3.32Å; F190-M256 HydrophobicContact CD1-CG 4.27Å; F190-M256 HydrophobicContact CD1-SD 4.26Å; F190-M256 HydrophobicContact CE1-CB 3.61Å; F190-M256 HydrophobicContact CE1-CE 4.17Å; F190-M256 HydrophobicContact CE1-CG 4.07Å; F190-M256 HydrophobicContact CE1-SD 3.52Å; F190-M256 VanDerWaalsContact CE1-SD 3.52Å; F190-M256 HydrophobicContact CG-CB 4.44Å; F190-M256 HydrophobicContact CZ-SD 4.46Å; F190-K386 HydrophobicContact CZ-CB 3.78Å; F190-K386 HydrophobicContact CZ-CD 4.21Å; F190-L390 HydrophobicContact CB-CD1 4.18Å; F190-L390 HydrophobicContact CB-CD2 3.55Å; F190-L390 HydrophobicContact CB-CG 4.47Å; F190-L390 HydrophobicContact CD1-CD1 2.96Å; F190-L390 HydrophobicContact CD1-CD2 3.74Å; F190-L390 HydrophobicContact CD1-CG 3.85Å; F190-L390 HydrophobicContact CD2-CD1 4.35Å; F190-L390 HydrophobicContact CD2-CD2 3.64Å; F190-L390 HydrophobicContact CD2-CG 4.43Å; F190-L390 HydrophobicContact CE1-CD1 3.2Å; F190-L390 HydrophobicContact CE1-CD2 4.32Å; F190-L390 HydrophobicContact CE1-CG 4.11Å; F190-L390 HydrophobicContact CE2-CD1 4.5Å; F190-L390 HydrophobicContact CE2-CD2 4.21Å; F190-L390 HydrophobicContact CG-CD1 3.6Å; F190-L390 HydrophobicContact CG-CD2 3.34Å; F190-L390 HydrophobicContact CG-CG 4Å; F190-L390 HydrophobicContact CZ-CD1 3.98Å; F190-L390 HydrophobicContact CZ-CG 4.48Å
191C93.5Very high88.1Confident1 Ų138.9 Ų38.91%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-12899.8-171.2-69.10000108.6F206 Y236 M256 M257 N263C191-F206 HydrophobicContact CB-CE2 4.03Å; C191-F206 HydrophobicContact CB-CZ 3.74Å; C191-Y236 WeakPolarHBondContact CB-OH 3.5Å; C191-Y236 PolarHBondContact SG-OH 3.36Å; C191-Y236 VanDerWaalsContact SG-OH 3.39Å; C191-M256 PolarHBondContact N-O 3.43Å; C191-M257 HydrophobicContact CB-CB 4.24Å; C191-M257 WeakPolarHBondContact O-CB 3.47Å; C191-N263 PolarHBondContact O-ND2 3.3Å
192D88.6Confident87.4Confident16 Ų1633 Ų339%0.08621%0.207CC..EExtended strand (participates in β ladder)trans-125.5143.1-168.3-174.116.1000111.2F206 I207 Y209 H394D192-F206 CarbonylContact O-C 3.5Å; D192-F206 WeakPolarHBondContact O-CA 3.42Å; D192-F206 WeakPolarHBondContact O-CD2 3.47Å; D192-I207 PolarHBondContact N-O 3.25Å; D192-I207 PolarHBondContact O-N 2.95Å; D192-Y209 HydrophobicContact CB-CE2 4.04Å; D192-H394 IonicContact OD1-CE1 2.77Å; D192-H394 IonicContact OD1-ND1 3.8Å; D192-H394 PolarHBondContact OD1-ND1 3.19Å; D192-H394 IonicContact OD2-CE1 2.67Å; D192-H394 IonicContact OD2-CG 3.87Å; D192-H394 IonicContact OD2-ND1 3.25Å; D192-H394 PolarHBondContact OD2-ND1 3.28Å
193G88.9Confident86.8Confident9 Ų933 Ų339%0.09321%0.214CC..EExtended strand (participates in β ladder)trans-136.9118.5-172.400000112.8E204 K227G193-E204 WeakPolarHBondContact CA-OE1 3.49Å; G193-K227 PolarHBondContact O-NZ 2.74Å
194M88.5Confident86.6Confident2 Ų232.9 Ų32.91%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-100.8126.117755.1-144.878.400111.7E204 L205 I207 F397 F401M194-E204 VanDerWaalsContact O-CA 3.29Å; M194-E204 WeakPolarHBondContact O-CA 3.46Å; M194-E204 WeakPolarHBondContact O-CG 3.44Å; M194-L205 HydrophobicContact CE-CD2 4.36Å; M194-L205 HydrophobicContact CE-CG 4.26Å; M194-L205 HydrophobicContact CG-CB 3.68Å; M194-L205 HydrophobicContact CG-CD2 4.37Å; M194-L205 HydrophobicContact CG-CG 4.2Å; M194-L205 WeakPolarHBondContact CG-O 3.07Å; M194-L205 PolarHBondContact N-O 3.45Å; M194-L205 PolarHBondContact O-N 2.9Å; M194-L205 VanDerWaalsContact O-N 3.08Å; M194-L205 HydrophobicContact SD-CB 4.11Å; M194-L205 HydrophobicContact SD-CD2 3.68Å; M194-L205 HydrophobicContact SD-CG 3.98Å; M194-I207 HydrophobicContact CE-CD1 3.56Å; M194-I207 HydrophobicContact CE-CG1 3.92Å; M194-F397 HydrophobicContact CE-CB 3.69Å; M194-F397 VanDerWaalsContact SD-C 3.52Å; M194-F397 HydrophobicContact SD-CB 3.69Å; M194-F401 HydrophobicContact CB-CD1 4.04Å; M194-F401 HydrophobicContact CB-CE1 4.49Å; M194-F401 HydrophobicContact CG-CB 4.07Å; M194-F401 HydrophobicContact CG-CD1 3.48Å; M194-F401 VanDerWaalsContact CG-CD1 3.48Å; M194-F401 HydrophobicContact CG-CE1 4Å; M194-F401 HydrophobicContact CG-CG 3.9Å; M194-F401 VanDerWaalsContact O-CE1 3.26Å; M194-F401 WeakPolarHBondContact O-CE1 3.27Å; M194-F401 HydrophobicContact SD-CB 3.84Å; M194-F401 HydrophobicContact SD-CD1 4.38Å; M194-F401 HydrophobicContact SD-CG 4.28Å
195S86Confident86.5Confident61 Ų6131.2 Ų31.243%0.42720%0.202SC..EExtended strand (participates in β ladder)trans-80.7138.8179.7-28.30000111.5K227S195-K227 VanDerWaalsContact CA-CE 3.46Å; S195-K227 WeakPolarHBondContact OG-CE 3.32Å; S195-K227 PolarHBondContact OG-NZ 3.07Å
196A85.2Confident86.5Confident22 Ų2227.6 Ų27.618%0.18218%0.177CC..PPolyproline II helixtrans-68.7142.5167.200000108.8V202 A203 F401 Q405A196-V202 WeakPolarHBondContact CB-O 3.42Å; A196-A203 PolarHBondContact N-O 3.03Å; A196-F401 HydrophobicContact CB-CE1 4.01Å; A196-F401 HydrophobicContact CB-CZ 3.88Å; A196-Q405 VanDerWaalsContact CA-OE1 3.24Å; A196-Q405 VanDerWaalsContact CB-OE1 3.29Å
197T78.4Confident86.6Confident87 Ų8727.4 Ų27.453%0.53418%0.175SC..SBendtrans-91.1-39.1177.248.60000111.6Q405T197-Q405 PolarHBondContact OG1-NE2 2.96Å; T197-Q405 VanDerWaalsContact OG1-NE2 3.12Å
198N73Confident86.7Confident124 Ų12422.9 Ų22.966%0.66315%0.148SC*.SBendtrans-15047.4-172.7-70.6-53.1000112Y406N198-Y406 HydrophobicContact CB-CE1 4.22Å; N198-Y406 VanDerWaalsContact O-CE1 3.31Å; N198-Y406 WeakPolarHBondContact O-CE1 3.43Å
199S74.9Confident86.9Confident29 Ų2922.8 Ų22.820%0.20315%0.147CC..  trans-113.1132.8176.5-175.80000111.7Q201 V202 Q405S199-Q201 VanDerWaalsContact C-N 3.32Å; S199-Q201 PolarHBondContact OG-N 3.37Å; S199-V202 WeakPolarHBondContact CB-O 3.31Å; S199-V202 PolarHBondContact OG-N 2.97Å; S199-Q405 VanDerWaalsContact CB-O 3.32Å; S199-Q405 WeakPolarHBondContact CB-O 3.4Å; S199-Q405 PolarHBondContact OG-O 3.44Å
200S72Confident86.9Confident70 Ų7022.5 Ų22.549%0.4915%0.146SC..SBendtrans-82.4-12.9166.9590000112.7
201Q74.7Confident86.7Confident7 Ų723.6 Ų23.63%0.03315%0.153CC..SBendtrans-100.6-22.5-171.9-70.7-173.26.900113.9N136 A138 L140 I143 S199N136-Q201 PolarHBondContact O-NE2 3.4Å; A138-Q201 WeakPolarHBondContact O-CG 3.39Å; L140-Q201 WeakPolarHBondContact CB-O 3.47Å; L140-Q201 WeakPolarHBondContact CD1-O 3.34Å; I143-Q201 HydrophobicContact CD1-CB 4.2Å; I143-Q201 HydrophobicContact CD1-CG 3.64Å; S199-Q201 VanDerWaalsContact C-N 3.32Å; S199-Q201 PolarHBondContact OG-N 3.37Å
202V82.2Confident86.5Confident5 Ų524.7 Ų24.73%0.0316%0.158CC..  trans-148.5134.7-174.7179.50000108A196 S199 E204 I223 F401 L408 L411A196-V202 WeakPolarHBondContact CB-O 3.42Å; S199-V202 WeakPolarHBondContact CB-O 3.31Å; S199-V202 PolarHBondContact OG-N 2.97Å; V202-E204 WeakPolarHBondContact CG1-O 3.49Å; V202-I223 HydrophobicContact CB-CG2 4.18Å; V202-I223 HydrophobicContact CG1-CG2 3.52Å; V202-I223 HydrophobicContact CG2-CG2 3.63Å; V202-F401 HydrophobicContact CB-CE2 4.39Å; V202-F401 HydrophobicContact CB-CZ 4.44Å; V202-F401 HydrophobicContact CG1-CE2 3.79Å; V202-F401 HydrophobicContact CG1-CZ 3.72Å; V202-L408 HydrophobicContact CG2-CD1 4.06Å; V202-L411 HydrophobicContact CG2-CD2 4.25Å
203A83.9Confident86.2Confident33 Ų3331 Ų3127%0.27318%0.181SC..SBendtrans-95.5-35.6171.600000112.1A196 T224 T225A196-A203 PolarHBondContact N-O 3.03Å; A203-T224 PolarHBondContact N-O 3.21Å; A203-T225 WeakPolarHBondContact CB-O 3.29Å
204E91.6Very high85.6Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-150.5143.5-178.1176.3172.1-117.700113G193 M194 V202 F206 I223 T224 K227 Y232G193-E204 WeakPolarHBondContact CA-OE1 3.49Å; M194-E204 VanDerWaalsContact O-CA 3.29Å; M194-E204 WeakPolarHBondContact O-CA 3.46Å; M194-E204 WeakPolarHBondContact O-CG 3.44Å; V202-E204 WeakPolarHBondContact CG1-O 3.49Å; E204-F206 HydrophobicContact CG-CB 4.31Å; E204-I223 WeakPolarHBondContact O-CA 3.06Å; E204-T224 PolarHBondContact N-O 3.41Å; E204-T224 PolarHBondContact O-N 3.31Å; E204-K227 HydrophobicContact CB-CG 4.13Å; E204-K227 WeakPolarHBondContact OE1-CD 3.18Å; E204-K227 WeakPolarHBondContact OE1-CE 3.4Å; E204-K227 IonicContact OE1-NZ 2.7Å; E204-K227 PolarHBondContact OE1-NZ 3.46Å; E204-Y232 PolarHBondContact OE1-OH 2.95Å; E204-Y232 WeakPolarHBondContact OE2-CE1 3.48Å; E204-Y232 VanDerWaalsContact OE2-CZ 3.29Å; E204-Y232 PolarHBondContact OE2-OH 3.42Å
205L94.3Very high85.3Confident0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-103.2113.4159.4170.162.5000108.2M194 I207 A222 I223 F401 L411 L415M194-L205 HydrophobicContact CE-CD2 4.36Å; M194-L205 HydrophobicContact CE-CG 4.26Å; M194-L205 HydrophobicContact CG-CB 3.68Å; M194-L205 HydrophobicContact CG-CD2 4.37Å; M194-L205 HydrophobicContact CG-CG 4.2Å; M194-L205 WeakPolarHBondContact CG-O 3.07Å; M194-L205 PolarHBondContact N-O 3.45Å; M194-L205 PolarHBondContact O-N 2.9Å; M194-L205 VanDerWaalsContact O-N 3.08Å; M194-L205 HydrophobicContact SD-CB 4.11Å; M194-L205 HydrophobicContact SD-CD2 3.68Å; M194-L205 HydrophobicContact SD-CG 3.98Å; L205-I207 HydrophobicContact CD1-CG1 4.21Å; L205-I207 HydrophobicContact CD2-CD1 4.14Å; L205-I207 HydrophobicContact CG-CD1 4.17Å; L205-I207 HydrophobicContact CG-CG1 4Å; L205-A222 CarbonylContact C-O 3.55Å; L205-A222 WeakPolarHBondContact CA-O 3.01Å; L205-I223 HydrophobicContact CD1-CG1 4.21Å; L205-F401 HydrophobicContact CB-CD2 3.91Å; L205-F401 HydrophobicContact CB-CE1 4.44Å; L205-F401 HydrophobicContact CB-CE2 3.9Å; L205-F401 HydrophobicContact CB-CG 4.23Å; L205-F401 HydrophobicContact CB-CZ 4.16Å; L205-F401 HydrophobicContact CD2-CB 4.35Å; L205-F401 HydrophobicContact CD2-CD2 4.24Å; L205-F401 HydrophobicContact CD2-CG 4.44Å; L205-L411 HydrophobicContact CD2-CD1 4.4Å; L205-L415 HydrophobicContact CD1-CD1 4.11Å; L205-L415 HydrophobicContact CD1-CD2 4.37Å; L205-L415 HydrophobicContact CD2-CD2 4.05Å
206F94.7Very high85.5Confident0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-106.3128.8178.1176.3-103.2000110C191 D192 E204 V208 Y221 A222 Y232 V235 Y236C191-F206 HydrophobicContact CB-CE2 4.03Å; C191-F206 HydrophobicContact CB-CZ 3.74Å; D192-F206 CarbonylContact O-C 3.5Å; D192-F206 WeakPolarHBondContact O-CA 3.42Å; D192-F206 WeakPolarHBondContact O-CD2 3.47Å; E204-F206 HydrophobicContact CG-CB 4.31Å; F206-V208 HydrophobicContact CD1-CG2 4.28Å; F206-V208 HydrophobicContact CE1-CG2 3.51Å; F206-V208 HydrophobicContact CZ-CG2 4.05Å; F206-Y221 CarbonylContact O-C 3.55Å; F206-A222 HydrophobicContact CB-CB 4.18Å; F206-A222 HydrophobicContact CD1-CB 4.18Å; F206-A222 PolarHBondContact N-O 3.35Å; F206-A222 PolarHBondContact O-N 3.38Å; F206-Y232 HydrophobicContact CD2-CD1 4.24Å; F206-Y232 AromaticContact CD2-CE1 3.73Å; F206-Y232 HydrophobicContact CD2-CE1 3.73Å; F206-Y232 HydrophobicContact CE2-CD1 4.25Å; F206-Y232 HydrophobicContact CE2-CE1 4.06Å; F206-Y232 HydrophobicContact CG-CD1 4.46Å; F206-Y232 HydrophobicContact CG-CE1 4.13Å; F206-Y232 HydrophobicContact CZ-CD1 4.46Å; F206-V235 HydrophobicContact CD1-CG1 4.04Å; F206-V235 HydrophobicContact CE1-CG1 4.12Å; F206-Y236 HydrophobicContact CE1-CE1 4.14Å; F206-Y236 HydrophobicContact CZ-CE1 4.08Å; F206-Y236 AromaticContact CZ-CZ 3.83Å; F206-Y236 VanDerWaalsContact CZ-OH 3.3Å; F206-Y236 WeakPolarHBondContact CZ-OH 3.31Å
207I95.5Very high85.7Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-122.8129.4-172.9-51.6-175.5000109.2D192 M194 L205 Y209 P218 L220 Y221 F397D192-I207 PolarHBondContact N-O 3.25Å; D192-I207 PolarHBondContact O-N 2.95Å; M194-I207 HydrophobicContact CE-CD1 3.56Å; M194-I207 HydrophobicContact CE-CG1 3.92Å; L205-I207 HydrophobicContact CD1-CG1 4.21Å; L205-I207 HydrophobicContact CD2-CD1 4.14Å; L205-I207 HydrophobicContact CG-CD1 4.17Å; L205-I207 HydrophobicContact CG-CG1 4Å; I207-Y209 HydrophobicContact CB-CD2 4.46Å; I207-Y209 HydrophobicContact CB-CE2 3.71Å; I207-Y209 HydrophobicContact CG2-CD2 4Å; I207-Y209 HydrophobicContact CG2-CE1 4.07Å; I207-Y209 HydrophobicContact CG2-CE2 3.51Å; I207-Y209 HydrophobicContact CG2-CG 4.47Å; I207-P218 HydrophobicContact CG2-CB 3.86Å; I207-L220 WeakPolarHBondContact CA-O 3.21Å; I207-L220 WeakPolarHBondContact CG2-O 3.42Å; I207-Y221 HydrophobicContact CD1-CD1 3.96Å; I207-Y221 HydrophobicContact CD1-CE1 4.23Å; I207-Y221 HydrophobicContact CG1-CD1 3.96Å; I207-Y221 HydrophobicContact CG2-CD1 4.01Å; I207-Y221 HydrophobicContact CG2-CE1 4.08Å; I207-F397 HydrophobicContact CD1-CB 3.85Å; I207-F397 HydrophobicContact CD1-CD1 3.5Å; I207-F397 VanDerWaalsContact CD1-CD1 3.5Å; I207-F397 HydrophobicContact CD1-CD2 3.6Å; I207-F397 HydrophobicContact CD1-CE1 3.85Å; I207-F397 HydrophobicContact CD1-CE2 3.92Å; I207-F397 HydrophobicContact CD1-CG 3.37Å; I207-F397 HydrophobicContact CD1-CZ 4.06Å
208V96.4Very high86.5Confident2 Ų227.5 Ų27.51%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-104.4121.1171.4-173.30000108.9L183 L189 F190 F206 L219 L220 I239L183-V208 HydrophobicContact CD1-CG1 3.65Å; L189-V208 HydrophobicContact CD1-CG1 4.31Å; L189-V208 HydrophobicContact CD2-CG1 4.47Å; F190-V208 WeakPolarHBondContact O-CA 3.43Å; F206-V208 HydrophobicContact CD1-CG2 4.28Å; F206-V208 HydrophobicContact CE1-CG2 3.51Å; F206-V208 HydrophobicContact CZ-CG2 4.05Å; V208-L219 PolarHBondContact O-N 3.3Å; V208-L220 HydrophobicContact CB-CB 4.28Å; V208-L220 HydrophobicContact CG2-CD2 4.11Å; V208-L220 PolarHBondContact N-O 2.87Å; V208-L220 PolarHBondContact O-N 3.3Å; V208-L220 VanDerWaalsContact O-N 3.16Å; V208-I239 HydrophobicContact CG2-CD1 4.12Å
209Y95.2Very high87.6Confident1 Ų121.7 Ų21.70%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-101.8138.4176.1-51.8-107.7000109.8L189 F190 D192 I207 I217 P218 L390 W393 F397L189-Y209 WeakPolarHBondContact CA-O 3.27Å; L189-Y209 WeakPolarHBondContact CD2-O 3.48Å; F190-Y209 HydrophobicContact CB-CD2 4.03Å; F190-Y209 HydrophobicContact CB-CG 4.32Å; F190-Y209 PolarHBondContact N-O 3.14Å; F190-Y209 WeakPolarHBondContact O-CD2 3.5Å; F190-Y209 PolarHBondContact O-N 3.23Å; D192-Y209 HydrophobicContact CB-CE2 4.04Å; I207-Y209 HydrophobicContact CB-CD2 4.46Å; I207-Y209 HydrophobicContact CB-CE2 3.71Å; I207-Y209 HydrophobicContact CG2-CD2 4Å; I207-Y209 HydrophobicContact CG2-CE1 4.07Å; I207-Y209 HydrophobicContact CG2-CE2 3.51Å; I207-Y209 HydrophobicContact CG2-CG 4.47Å; Y209-I217 CarbonylContact C-O 3.6Å; Y209-I217 WeakPolarHBondContact CA-O 3.47Å; Y209-I217 WeakPolarHBondContact CB-O 3.43Å; Y209-P218 VanDerWaalsContact CD1-CA 3.49Å; Y209-P218 HydrophobicContact CD1-CB 3.82Å; Y209-P218 HydrophobicContact CD1-CG 4.47Å; Y209-P218 HydrophobicContact CE1-CB 3.72Å; Y209-P218 HydrophobicContact CE1-CG 4.33Å; Y209-L390 HydrophobicContact CG-CD2 4.44Å; Y209-W393 HydrophobicContact CD1-CG 4.36Å; Y209-W393 HydrophobicContact CE1-CB 3.71Å; Y209-W393 HydrophobicContact CE1-CD2 4.06Å; Y209-W393 HydrophobicContact CE1-CE3 4.5Å; Y209-W393 AromaticContact CE1-CG 3.7Å; Y209-W393 HydrophobicContact CE1-CG 3.7Å; Y209-F397 HydrophobicContact CE1-CD2 4.43Å; Y209-F397 HydrophobicContact CE1-CE2 4.09Å; Y209-F397 WeakPolarHBondContact OH-CD2 3.28Å
210G94Very high88.7Confident1 Ų120.3 Ų20.31%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-103.8171.8164.700000111.2S186 P216 I217S186-G210 VanDerWaalsContact OG-CA 3.31Å; S186-G210 WeakPolarHBondContact OG-CA 3.27Å; G210-P216 CarbonylContact O-C 3.49Å; G210-P216 WeakPolarHBondContact O-CA 3.36Å; G210-I217 PolarHBondContact N-O 2.93Å; G210-I217 PolarHBondContact O-N 2.96Å
211V90.1Very high89.9Confident26 Ų2617 Ų1716%0.1589%0.086CC..EExtended strand (participates in β ladder)trans-108.8120.6175.91790000109.6S186 M188 F190 C215 K386S186-V211 PolarHBondContact OG-N 3.04Å; M188-V211 HydrophobicContact CB-CG2 4.17Å; M188-V211 HydrophobicContact CG-CG2 4.24Å; M188-V211 HydrophobicContact SD-CG2 4.17Å; F190-V211 HydrophobicContact CD2-CG2 4.44Å; F190-V211 HydrophobicContact CE2-CG2 3.59Å; F190-V211 HydrophobicContact CZ-CG2 4.39Å; V211-C215 WeakPolarHBondContact CA-O 3.43Å; V211-K386 HydrophobicContact CG2-CD 4.45Å
212L87.6Confident90.9Very high23 Ų2316.6 Ų16.612%0.128%0.084CC..EExtended strand (participates in β ladder)trans-123.3125.1171.6-179.467.1000108.9Y182 D214 C215 I217 I426 L430Y182-L212 HydrophobicContact CD1-CD1 4.08Å; Y182-L212 HydrophobicContact CD1-CD2 4.26Å; Y182-L212 HydrophobicContact CE1-CD1 4.17Å; Y182-L212 HydrophobicContact CE1-CD2 4.07Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.43Å; L212-C215 PolarHBondContact N-O 3.31Å; L212-C215 WeakPolarHBondContact O-CB 3.46Å; L212-C215 PolarHBondContact O-N 3.4Å; L212-I217 HydrophobicContact CB-CD1 3.58Å; L212-I217 HydrophobicContact CD2-CD1 3.88Å; L212-I217 HydrophobicContact CG-CD1 4.28Å; L212-I426 HydrophobicContact CD2-CB 4.33Å; L212-I426 HydrophobicContact CD2-CG1 4.1Å; L212-I426 HydrophobicContact CD2-CG2 3.82Å; L212-L430 HydrophobicContact CD1-CD2 4.43Å
213R82.3Confident91.5Very high150 Ų15016.4 Ų16.457%0.5668%0.083SC*.THydrogen-bonded Turntrans5146.3-179.3-60.1-69.5-168.8-163.10112.7C215R213-C215 PolarHBondContact O-N 2.87Å
214D78.2Confident91.6Very high85 Ų8515.1 Ų15.146%0.4557%0.072SC..THydrogen-bonded Turntrans65.95.1-177.2-50.9-43000115.5L212 K435L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.43Å; D214-K435 IonicContact OD2-NZ 2.74Å; D214-K435 PolarHBondContact OD2-NZ 2.85Å
215C82.3Confident91.1Very high16 Ų1616.8 Ų16.811%0.1088%0.082CC..EExtended strand (participates in β ladder)trans-104.1127.2177.5-168.90000110.5V211 L212 R213 M429V211-C215 WeakPolarHBondContact CA-O 3.43Å; L212-C215 PolarHBondContact N-O 3.31Å; L212-C215 WeakPolarHBondContact O-CB 3.46Å; L212-C215 PolarHBondContact O-N 3.4Å; R213-C215 PolarHBondContact O-N 2.87Å; C215-M429 HydrophobicContact CB-SD 4.11Å
216P88.3Confident90.2Very high0 Ų018.2 Ų18.20%09%0.094CC..EExtended strand (participates in β ladder)trans-63.1134.1164.2-22.333.6000111.3F190 G210 K386 V389 L390 W393F190-P216 HydrophobicContact CD2-CB 4.01Å; F190-P216 HydrophobicContact CD2-CG 4.3Å; F190-P216 HydrophobicContact CE2-CB 3.85Å; F190-P216 HydrophobicContact CE2-CG 3.66Å; F190-P216 HydrophobicContact CZ-CG 4.15Å; G210-P216 CarbonylContact O-C 3.49Å; G210-P216 WeakPolarHBondContact O-CA 3.36Å; P216-K386 HydrophobicContact CG-CB 4.05Å; P216-V389 HydrophobicContact CB-CG1 4.48Å; P216-V389 HydrophobicContact CG-CB 4.09Å; P216-V389 HydrophobicContact CG-CG1 4.23Å; P216-L390 HydrophobicContact CB-CD2 3.78Å; P216-L390 HydrophobicContact CG-CD2 4.21Å; P216-L390 HydrophobicContact CG-CG 4.44Å; P216-W393 PolarHBondContact O-NE1 3.4Å
217I90.8Very high89.6Confident4 Ų421 Ų212%0.02111%0.106CC..EExtended strand (participates in β ladder)trans-137.5130.3-175.7-64.7-174.7000108.3Y209 G210 L212 L219 N422 I426 M429Y209-I217 CarbonylContact C-O 3.6Å; Y209-I217 WeakPolarHBondContact CA-O 3.47Å; Y209-I217 WeakPolarHBondContact CB-O 3.43Å; G210-I217 PolarHBondContact N-O 2.93Å; G210-I217 PolarHBondContact O-N 2.96Å; L212-I217 HydrophobicContact CB-CD1 3.58Å; L212-I217 HydrophobicContact CD2-CD1 3.88Å; L212-I217 HydrophobicContact CG-CD1 4.28Å; I217-L219 HydrophobicContact CG2-CD2 3.89Å; I217-L219 PolarHBondContact O-N 3.42Å; I217-N422 WeakPolarHBondContact CG2-ND2 3.31Å; I217-N422 WeakPolarHBondContact CG2-OD1 3.15Å; I217-I426 HydrophobicContact CD1-CG1 3.81Å; I217-I426 HydrophobicContact CG2-CD1 4.03Å; I217-I426 HydrophobicContact CG2-CG1 4.19Å; I217-M429 HydrophobicContact CD1-CE 3.22Å; I217-M429 HydrophobicContact CD1-SD 4.19Å; I217-M429 HydrophobicContact CG1-CE 4.11Å
218P95.1Very high89.2Confident1 Ų128 Ų281%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-67.9126.1174.628.9-34.7000109.5I207 Y209 Y221 W393 F397 N422I207-P218 HydrophobicContact CG2-CB 3.86Å; Y209-P218 VanDerWaalsContact CD1-CA 3.49Å; Y209-P218 HydrophobicContact CD1-CB 3.82Å; Y209-P218 HydrophobicContact CD1-CG 4.47Å; Y209-P218 HydrophobicContact CE1-CB 3.72Å; Y209-P218 HydrophobicContact CE1-CG 4.33Å; P218-Y221 HydrophobicContact CB-CE1 3.88Å; P218-W393 VanDerWaalsContact CD-CZ2 3.44Å; P218-W393 HydrophobicContact CG-CE3 4.35Å; P218-W393 HydrophobicContact CG-CH2 3.76Å; P218-W393 HydrophobicContact CG-CZ2 4.16Å; P218-W393 HydrophobicContact CG-CZ3 3.86Å; P218-F397 HydrophobicContact CB-CE2 3.94Å; P218-F397 HydrophobicContact CB-CZ 3.98Å; P218-F397 HydrophobicContact CG-CE2 3.97Å; P218-F397 HydrophobicContact CG-CZ 3.93Å; P218-N422 PolarHBondContact O-ND2 3.2Å
219L96.5Very high89.1Confident2 Ų230.9 Ų30.91%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-117.9-27.3-176.1-66.3179.8000112.4C175 N179 Y182 L183 V208 I217C175-L219 PolarHBondContact SG-O 3.37Å; C175-L219 VanDerWaalsContact SG-O 3.34Å; N179-L219 HydrophobicContact CB-CB 4.14Å; N179-L219 HydrophobicContact CB-CD2 4.17Å; N179-L219 VanDerWaalsContact CB-O 3.23Å; N179-L219 WeakPolarHBondContact CB-O 3.22Å; N179-L219 PolarHBondContact ND2-O 2.89Å; Y182-L219 HydrophobicContact CD2-CD2 4.16Å; Y182-L219 HydrophobicContact CG-CD2 4.43Å; L183-L219 HydrophobicContact CB-CD1 4.08Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å; V208-L219 PolarHBondContact O-N 3.3Å; I217-L219 HydrophobicContact CG2-CD2 3.89Å; I217-L219 PolarHBondContact O-N 3.42Å
220L97.2Very high88.9Confident0 Ų033.9 Ų33.90%016%0.162CC..EExtended strand (participates in β ladder)trans-142.4141.8-179.4178.8148.9000110.4L173 F174 C175 I207 V208 A222 I239L173-L220 HydrophobicContact CD2-CD2 3.98Å; F174-L220 WeakPolarHBondContact O-CA 3.36Å; C175-L220 HydrophobicContact CB-CB 4.37Å; C175-L220 HydrophobicContact CB-CD1 3.99Å; C175-L220 HydrophobicContact CB-CG 4.19Å; I207-L220 WeakPolarHBondContact CA-O 3.21Å; I207-L220 WeakPolarHBondContact CG2-O 3.42Å; V208-L220 HydrophobicContact CB-CB 4.28Å; V208-L220 HydrophobicContact CG2-CD2 4.11Å; V208-L220 PolarHBondContact N-O 2.87Å; V208-L220 PolarHBondContact O-N 3.3Å; V208-L220 VanDerWaalsContact O-N 3.16Å; L220-A222 HydrophobicContact CD2-CB 4.37Å; L220-I239 HydrophobicContact CD1-CD1 3.69Å; L220-I239 HydrophobicContact CD1-CG1 3.49Å; L220-I239 VanDerWaalsContact CD1-CG1 3.49Å; L220-I239 HydrophobicContact CD2-CD1 3.91Å; L220-I239 HydrophobicContact CD2-CG1 4.47Å; L220-I239 HydrophobicContact CG-CD1 4.42Å
221Y97.2Very high88.7Confident0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-122.9128.4176.8-44.2-86.7000108.6F158 F174 F206 I207 P218 F397 L415F158-Y221 HydrophobicContact CE2-CD2 4.32Å; F158-Y221 HydrophobicContact CE2-CE2 4.36Å; F158-Y221 HydrophobicContact CZ-CD2 4.05Å; F158-Y221 HydrophobicContact CZ-CE2 4.18Å; F174-Y221 HydrophobicContact CB-CD2 4.31Å; F174-Y221 PolarHBondContact N-O 2.79Å; F174-Y221 PolarHBondContact O-N 3.27Å; F206-Y221 CarbonylContact O-C 3.55Å; I207-Y221 HydrophobicContact CD1-CD1 3.96Å; I207-Y221 HydrophobicContact CD1-CE1 4.23Å; I207-Y221 HydrophobicContact CG1-CD1 3.96Å; I207-Y221 HydrophobicContact CG2-CD1 4.01Å; I207-Y221 HydrophobicContact CG2-CE1 4.08Å; P218-Y221 HydrophobicContact CB-CE1 3.88Å; Y221-F397 HydrophobicContact CD1-CE1 4.47Å; Y221-F397 AromaticContact CE1-CE1 3.78Å; Y221-F397 HydrophobicContact CE1-CE1 3.78Å; Y221-F397 AromaticContact CE1-CZ 3.66Å; Y221-F397 HydrophobicContact CE1-CZ 3.66Å; Y221-L415 HydrophobicContact CD1-CD2 3.77Å; Y221-L415 HydrophobicContact CE1-CD2 4.17Å; Y221-L415 HydrophobicContact CG-CD1 4.37Å; Y221-L415 HydrophobicContact CG-CD2 4.14Å
222A95.7Very high88.9Confident0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans-116.4128.9174.400000108.8L172 L173 L205 F206 L220 T224 V235L172-A222 CarbonylContact O-C 3.47Å; L172-A222 VanDerWaalsContact O-CA 3.28Å; L172-A222 WeakPolarHBondContact O-CA 3.42Å; L173-A222 HydrophobicContact CD2-CB 3.46Å; L173-A222 VanDerWaalsContact CD2-CB 3.46Å; L205-A222 CarbonylContact C-O 3.55Å; L205-A222 WeakPolarHBondContact CA-O 3.01Å; F206-A222 HydrophobicContact CB-CB 4.18Å; F206-A222 HydrophobicContact CD1-CB 4.18Å; F206-A222 PolarHBondContact N-O 3.35Å; F206-A222 PolarHBondContact O-N 3.38Å; L220-A222 HydrophobicContact CD2-CB 4.37Å; A222-T224 HydrophobicContact CB-CG2 4.47Å; A222-V235 HydrophobicContact CB-CG1 4.07Å; A222-V235 HydrophobicContact CB-CG2 4.11Å
223I93.8Very high89.2Confident0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-106.8124.5171.6-59.5179.1000106.7L140 L172 F174 V202 E204 L205 L408 L411 V412 L415L140-I223 HydrophobicContact CD2-CG2 4.16Å; L172-I223 HydrophobicContact CB-CB 4.27Å; L172-I223 PolarHBondContact N-O 3Å; L172-I223 PolarHBondContact O-N 3.14Å; F174-I223 HydrophobicContact CD2-CD1 4.49Å; F174-I223 HydrophobicContact CE2-CD1 3.88Å; F174-I223 HydrophobicContact CE2-CG1 4.36Å; V202-I223 HydrophobicContact CB-CG2 4.18Å; V202-I223 HydrophobicContact CG1-CG2 3.52Å; V202-I223 HydrophobicContact CG2-CG2 3.63Å; E204-I223 WeakPolarHBondContact O-CA 3.06Å; L205-I223 HydrophobicContact CD1-CG1 4.21Å; I223-L408 HydrophobicContact CD1-CD1 3.7Å; I223-L408 HydrophobicContact CG2-CD1 4.01Å; I223-L411 HydrophobicContact CD1-CD2 3.85Å; I223-L411 HydrophobicContact CD1-CG 4.23Å; I223-L411 HydrophobicContact CG1-CD2 4.45Å; I223-V412 HydrophobicContact CD1-CG2 4.01Å; I223-L415 HydrophobicContact CD1-CD1 4.14Å
224T87.7Confident89.8Confident7 Ų731 Ų314%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-130159-174.374.60000111.9V171 A203 E204 A222 A226 V235V171-T224 HydrophobicContact CG1-CG2 4.37Å; V171-T224 HydrophobicContact CG2-CG2 4.38Å; A203-T224 PolarHBondContact N-O 3.21Å; E204-T224 PolarHBondContact N-O 3.41Å; E204-T224 PolarHBondContact O-N 3.31Å; A222-T224 HydrophobicContact CB-CG2 4.47Å; T224-A226 PolarHBondContact OG1-O 2.85Å; T224-V235 HydrophobicContact CG2-CG2 4.25Å
225T80.5Confident90.6Very high35 Ų3527 Ų2722%0.21513%0.131CC..SBendtrans-92.9-6.4174.6620000113.9L140 E141 D168 K169 A203L140-T225 HydrophobicContact CB-CG2 3.7Å; L140-T225 HydrophobicContact CD2-CG2 3.54Å; L140-T225 HydrophobicContact CG-CG2 4.12Å; E141-T225 WeakPolarHBondContact OE1-CG2 3.35Å; D168-T225 PolarHBondContact O-OG1 3.34Å; K169-T225 WeakPolarHBondContact CA-OG1 3.26Å; A203-T225 WeakPolarHBondContact CB-O 3.29Å
226A74.4Confident91.2Very high30 Ų3026.5 Ų26.525%0.24813%0.127CC..  trans-154.6145.1-178.800000114T224 R228T224-A226 PolarHBondContact OG1-O 2.85Å; A226-R228 HydrophobicContact CB-CG 3.9Å; A226-R228 PolarHBondContact O-N 3.39Å
227K83.3Confident91.6Very high58 Ų5828 Ų2825%0.25214%0.143SC..  trans-91.765173.9-63.7-153.4177.3-144.80112.3G193 S195 E204G193-K227 PolarHBondContact O-NZ 2.74Å; S195-K227 VanDerWaalsContact CA-CE 3.46Å; S195-K227 WeakPolarHBondContact OG-CE 3.32Å; S195-K227 PolarHBondContact OG-NZ 3.07Å; E204-K227 HydrophobicContact CB-CG 4.13Å; E204-K227 WeakPolarHBondContact OE1-CD 3.18Å; E204-K227 WeakPolarHBondContact OE1-CE 3.4Å; E204-K227 IonicContact OE1-NZ 2.7Å; E204-K227 PolarHBondContact OE1-NZ 3.46Å
228R87.5Confident91.8Very high148 Ų14831.3 Ų31.356%0.55816%0.157SC*.  trans-123.3153.3-173.1-58.4172.667.4109.53.2111.5A226 D230 G231 Y232A226-R228 HydrophobicContact CB-CG 3.9Å; A226-R228 PolarHBondContact O-N 3.39Å; R228-D230 VanDerWaalsContact C-N 3.31Å; R228-D230 WeakPolarHBondContact CB-OD1 3.43Å; R228-D230 IonicContact NE-OD1 2.64Å; R228-D230 PolarHBondContact NE-OD1 3.16Å; R228-D230 PolarHBondContact O-N 3.25Å; R228-G231 WeakPolarHBondContact O-CA 3.45Å; R228-G231 PolarHBondContact O-N 3.45Å; R228-Y232 WeakPolarHBondContact O-CD2 3.42Å; R228-Y232 PolarHBondContact O-N 3.11Å
229E93Very high91.9Very high62 Ų6231.5 Ų31.529%0.2916%0.157SC..Hα-helixtrans-59.5-42.4-177.7-175.7178.9135.500111.8G231 Y232 K233 A262 N265 A266E229-G231 VanDerWaalsContact C-N 3.3Å; E229-G231 PolarHBondContact O-N 3.39Å; E229-Y232 PolarHBondContact O-N 3.06Å; E229-K233 HydrophobicContact CG-CD 4.4Å; E229-K233 WeakPolarHBondContact O-CG 3.33Å; E229-K233 PolarHBondContact O-N 2.86Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 2.79Å; E229-K233 PolarHBondContact OE1-NZ 3.27Å; E229-A262 HydrophobicContact CB-CB 4.09Å; E229-N265 VanDerWaalsContact CD-CB 3.44Å; E229-N265 HydrophobicContact CG-CB 4.05Å; E229-N265 VanDerWaalsContact OE2-CB 3.26Å; E229-N265 WeakPolarHBondContact OE2-CB 3.23Å; E229-N265 PolarHBondContact OE2-ND2 2.98Å; E229-A266 HydrophobicContact CG-CB 4.23Å
230D91.6Very high91.9Very high63 Ų6333.9 Ų33.934%0.33717%0.17SC..Hα-helixtrans-61.3-37.2174.558.3-32.4000112.4K169 R228 K233 Y234K169-D230 IonicContact NZ-OD2 3.63Å; K169-D230 PolarHBondContact NZ-OD2 2.94Å; R228-D230 VanDerWaalsContact C-N 3.31Å; R228-D230 WeakPolarHBondContact CB-OD1 3.43Å; R228-D230 IonicContact NE-OD1 2.64Å; R228-D230 PolarHBondContact NE-OD1 3.16Å; R228-D230 PolarHBondContact O-N 3.25Å; D230-K233 PolarHBondContact O-N 3.47Å; D230-Y234 WeakPolarHBondContact O-CB 3.36Å; D230-Y234 PolarHBondContact O-N 3.17Å
231G90.6Very high91.8Very high14 Ų1434.6 Ų34.614%0.14418%0.177CC..Hα-helixtrans-62.8-48.2173.900000113R228 E229 Y234 V235R228-G231 WeakPolarHBondContact O-CA 3.45Å; R228-G231 PolarHBondContact O-N 3.45Å; E229-G231 VanDerWaalsContact C-N 3.3Å; E229-G231 PolarHBondContact O-N 3.39Å; G231-Y234 WeakPolarHBondContact O-CB 3.45Å; G231-Y234 PolarHBondContact O-N 3.2Å; G231-V235 WeakPolarHBondContact O-CG2 3.36Å; G231-V235 PolarHBondContact O-N 2.83Å
232Y93.7Very high91.8Very high5 Ų535.4 Ų35.42%0.0218%0.181CC..Hα-helixtrans-64.7-41.7176-66.2-66.4000112E204 F206 R228 E229 Y234 V235 Y236 Q260 A262 N263 A266E204-Y232 PolarHBondContact OE1-OH 2.95Å; E204-Y232 WeakPolarHBondContact OE2-CE1 3.48Å; E204-Y232 VanDerWaalsContact OE2-CZ 3.29Å; E204-Y232 PolarHBondContact OE2-OH 3.42Å; F206-Y232 HydrophobicContact CD2-CD1 4.24Å; F206-Y232 AromaticContact CD2-CE1 3.73Å; F206-Y232 HydrophobicContact CD2-CE1 3.73Å; F206-Y232 HydrophobicContact CE2-CD1 4.25Å; F206-Y232 HydrophobicContact CE2-CE1 4.06Å; F206-Y232 HydrophobicContact CG-CD1 4.46Å; F206-Y232 HydrophobicContact CG-CE1 4.13Å; F206-Y232 HydrophobicContact CZ-CD1 4.46Å; R228-Y232 WeakPolarHBondContact O-CD2 3.42Å; R228-Y232 PolarHBondContact O-N 3.11Å; E229-Y232 PolarHBondContact O-N 3.06Å; Y232-Y234 VanDerWaalsContact C-N 3.26Å; Y232-Y234 PolarHBondContact O-N 3.1Å; Y232-V235 PolarHBondContact O-N 2.85Å; Y232-Y236 WeakPolarHBondContact O-CD2 3.12Å; Y232-Y236 PolarHBondContact O-N 3.47Å; Y232-Q260 PolarHBondContact OH-NE2 3.35Å; Y232-A262 HydrophobicContact CD2-CB 4.09Å; Y232-A262 HydrophobicContact CE2-CB 4.01Å; Y232-N263 HydrophobicContact CD1-CB 4.36Å; Y232-N263 HydrophobicContact CD2-CB 4.04Å; Y232-N263 HydrophobicContact CE1-CB 4.38Å; Y232-N263 HydrophobicContact CE2-CB 4.05Å; Y232-N263 HydrophobicContact CG-CB 4.22Å; Y232-A266 VanDerWaalsContact CB-CB 3.46Å
233K94.7Very high91.9Very high46 Ų4635.4 Ų35.420%0.218%0.182CC..Hα-helixtrans-57.3-42.6174.6-74.7177.5-175.6174.70111.2E229 D230 G237 A266 E269E229-K233 HydrophobicContact CG-CD 4.4Å; E229-K233 WeakPolarHBondContact O-CG 3.33Å; E229-K233 PolarHBondContact O-N 2.86Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 2.79Å; E229-K233 PolarHBondContact OE1-NZ 3.27Å; D230-K233 PolarHBondContact O-N 3.47Å; K233-G237 PolarHBondContact O-N 3.45Å; K233-A266 HydrophobicContact CB-CB 4.49Å; K233-A266 HydrophobicContact CG-CB 3.61Å; K233-E269 WeakPolarHBondContact CD-OE1 3.3Å; K233-E269 WeakPolarHBondContact CE-OE1 3.43Å; K233-E269 WeakPolarHBondContact CE-OE2 3.14Å; K233-E269 IonicContact NZ-OE1 3.21Å; K233-E269 PolarHBondContact NZ-OE1 3.11Å; K233-E269 IonicContact NZ-OE2 3.33Å; K233-E269 PolarHBondContact NZ-OE2 3.29Å
234Y93.8Very high92Very high76 Ų7644.5 Ų44.530%0.29822%0.216SC..Hα-helixtrans-61.2-50175.9-173.7-88000111.7H161 S163 V171 D230 G231 Y232 Y236 G237 K238H161-Y234 PolarHBondContact CE1-OH 3.25Å; H161-Y234 AromaticContact NE2-CE1 3.54Å; H161-Y234 AromaticContact NE2-CZ 3.68Å; H161-Y234 PolarHBondContact NE2-OH 2.93Å; S163-Y234 WeakPolarHBondContact CB-OH 3.44Å; V171-Y234 HydrophobicContact CB-CD1 4.13Å; V171-Y234 HydrophobicContact CB-CE1 4.01Å; V171-Y234 HydrophobicContact CG1-CD1 4.42Å; V171-Y234 HydrophobicContact CG2-CD1 3.82Å; V171-Y234 HydrophobicContact CG2-CE1 4.1Å; D230-Y234 WeakPolarHBondContact O-CB 3.36Å; D230-Y234 PolarHBondContact O-N 3.17Å; G231-Y234 WeakPolarHBondContact O-CB 3.45Å; G231-Y234 PolarHBondContact O-N 3.2Å; Y232-Y234 VanDerWaalsContact C-N 3.26Å; Y232-Y234 PolarHBondContact O-N 3.1Å; Y234-Y236 PolarHBondContact O-N 3.02Å; Y234-G237 PolarHBondContact O-N 3.17Å; Y234-K238 HydrophobicContact CD1-CG 4Å; Y234-K238 HydrophobicContact CE1-CD 4.4Å; Y234-K238 HydrophobicContact CE1-CG 3.68Å; Y234-K238 WeakPolarHBondContact O-CB 3.24Å; Y234-K238 WeakPolarHBondContact O-CG 3.28Å; Y234-K238 PolarHBondContact O-N 3.05Å; Y234-K238 VanDerWaalsContact OH-CE 3.23Å; Y234-K238 WeakPolarHBondContact OH-CE 3.48Å
235V94.6Very high92.4Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-55.4-54.2177.1168.60000110.8V171 L173 F206 A222 T224 G231 Y232 G237 K238 I239V171-V235 HydrophobicContact CG1-CG2 3.79Å; L173-V235 HydrophobicContact CD2-CG1 3.9Å; L173-V235 HydrophobicContact CD2-CG2 4.39Å; F206-V235 HydrophobicContact CD1-CG1 4.04Å; F206-V235 HydrophobicContact CE1-CG1 4.12Å; A222-V235 HydrophobicContact CB-CG1 4.07Å; A222-V235 HydrophobicContact CB-CG2 4.11Å; T224-V235 HydrophobicContact CG2-CG2 4.25Å; G231-V235 WeakPolarHBondContact O-CG2 3.36Å; G231-V235 PolarHBondContact O-N 2.83Å; Y232-V235 PolarHBondContact O-N 2.85Å; V235-G237 PolarHBondContact O-N 3.31Å; V235-K238 PolarHBondContact O-N 3.02Å; V235-I239 HydrophobicContact CG1-CD1 4.01Å; V235-I239 VanDerWaalsContact O-CG1 3.3Å; V235-I239 WeakPolarHBondContact O-CG1 3.46Å; V235-I239 PolarHBondContact O-N 3.48Å
236Y96.1Very high93.1Very high6 Ų653.5 Ų53.52%0.02425%0.254CS..Hα-helixtrans-63-41.5-179.8-67.5-53.9000112.7C191 F206 Y232 Y234 K238 I239 L240 N263 A266 I267C191-Y236 WeakPolarHBondContact CB-OH 3.5Å; C191-Y236 PolarHBondContact SG-OH 3.36Å; C191-Y236 VanDerWaalsContact SG-OH 3.39Å; F206-Y236 HydrophobicContact CE1-CE1 4.14Å; F206-Y236 HydrophobicContact CZ-CE1 4.08Å; F206-Y236 AromaticContact CZ-CZ 3.83Å; F206-Y236 VanDerWaalsContact CZ-OH 3.3Å; F206-Y236 WeakPolarHBondContact CZ-OH 3.31Å; Y232-Y236 WeakPolarHBondContact O-CD2 3.12Å; Y232-Y236 PolarHBondContact O-N 3.47Å; Y234-Y236 PolarHBondContact O-N 3.02Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 3.2Å; Y236-I239 HydrophobicContact CD1-CD1 4.35Å; Y236-I239 WeakPolarHBondContact O-CB 3.43Å; Y236-I239 PolarHBondContact O-N 3.34Å; Y236-L240 WeakPolarHBondContact O-CG 3.28Å; Y236-L240 PolarHBondContact O-N 3.32Å; Y236-N263 WeakPolarHBondContact CE2-OD1 3.42Å; Y236-N263 PolarHBondContact OH-OD1 3.31Å; Y236-A266 HydrophobicContact CD2-CB 4.3Å; Y236-A266 HydrophobicContact CE2-CB 4.29Å; Y236-I267 HydrophobicContact CD2-CB 4.36Å; Y236-I267 HydrophobicContact CE1-CD1 4.18Å; Y236-I267 HydrophobicContact CE1-CG1 4.32Å; Y236-I267 HydrophobicContact CE2-CB 3.73Å; Y236-I267 HydrophobicContact CE2-CD1 4.45Å; Y236-I267 HydrophobicContact CE2-CG1 4.07Å
237G96Very high94.2Very high32 Ų3261.6 Ų61.633%0.3328%0.283SS..Hα-helixtrans-60.1-39.6175.500000112.4K233 Y234 V235 L240 G241K233-G237 PolarHBondContact O-N 3.45Å; Y234-G237 PolarHBondContact O-N 3.17Å; V235-G237 PolarHBondContact O-N 3.31Å; G237-L240 PolarHBondContact O-N 3.28Å; G237-G241 PolarHBondContact O-N 2.97Å
238K95.7Very high94.8Very high72 Ų7260.8 Ų60.831%0.31328%0.282SS..Hα-helixtrans-67.8-40.2174.6-71.5-64179.1178.20112.6H161 L173 Y234 V235 Y236 L240 G241 L242H161-K238 VanDerWaalsContact CE1-CE 3.49Å; H161-K238 WeakPolarHBondContact CE1-CE 3.41Å; L173-K238 HydrophobicContact CD1-CB 3.45Å; L173-K238 VanDerWaalsContact CD1-CB 3.45Å; L173-K238 HydrophobicContact CD1-CG 4.16Å; Y234-K238 HydrophobicContact CD1-CG 4Å; Y234-K238 HydrophobicContact CE1-CD 4.4Å; Y234-K238 HydrophobicContact CE1-CG 3.68Å; Y234-K238 WeakPolarHBondContact O-CB 3.24Å; Y234-K238 WeakPolarHBondContact O-CG 3.28Å; Y234-K238 PolarHBondContact O-N 3.05Å; Y234-K238 VanDerWaalsContact OH-CE 3.23Å; Y234-K238 WeakPolarHBondContact OH-CE 3.48Å; V235-K238 PolarHBondContact O-N 3.02Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 3.2Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 2.84Å; K238-G241 PolarHBondContact O-N 3.27Å; K238-L242 WeakPolarHBondContact O-CG 3.45Å; K238-L242 PolarHBondContact O-N 2.92Å
239I95.6Very high95.2Very high5 Ų560.6 Ų60.63%0.02629%0.285CS..Hα-helixtrans-56.6-46.8173-66.6172000110.7L183 V208 L220 V235 Y236 L242 A243L183-I239 HydrophobicContact CD2-CG2 3.5Å; L183-I239 VanDerWaalsContact CD2-CG2 3.5Å; V208-I239 HydrophobicContact CG2-CD1 4.12Å; L220-I239 HydrophobicContact CD1-CD1 3.69Å; L220-I239 HydrophobicContact CD1-CG1 3.49Å; L220-I239 VanDerWaalsContact CD1-CG1 3.49Å; L220-I239 HydrophobicContact CD2-CD1 3.91Å; L220-I239 HydrophobicContact CD2-CG1 4.47Å; L220-I239 HydrophobicContact CG-CD1 4.42Å; V235-I239 HydrophobicContact CG1-CD1 4.01Å; V235-I239 VanDerWaalsContact O-CG1 3.3Å; V235-I239 WeakPolarHBondContact O-CG1 3.46Å; V235-I239 PolarHBondContact O-N 3.48Å; Y236-I239 HydrophobicContact CD1-CD1 4.35Å; Y236-I239 WeakPolarHBondContact O-CB 3.43Å; Y236-I239 PolarHBondContact O-N 3.34Å; I239-L242 PolarHBondContact O-N 2.77Å; I239-A243 WeakPolarHBondContact O-CB 3.48Å; I239-A243 PolarHBondContact O-N 2.65Å
240L96.7Very high95.3Very high53 Ų5358 Ų5828%0.27727%0.273SS..Hα-helixtrans-63.8-39.9176.7-69.4-174.9000112.6Y236 G237 K238 A243 R244 V250 I270 F271Y236-L240 WeakPolarHBondContact O-CG 3.28Å; Y236-L240 PolarHBondContact O-N 3.32Å; G237-L240 PolarHBondContact O-N 3.28Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 2.84Å; L240-A243 PolarHBondContact O-N 3.29Å; L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 2.85Å; L240-V250 HydrophobicContact CD2-CB 4.02Å; L240-I270 HydrophobicContact CD1-CG2 3.45Å; L240-I270 VanDerWaalsContact CD1-CG2 3.45Å; L240-I270 HydrophobicContact CG-CG2 4.34Å; L240-F271 HydrophobicContact CD1-CE1 4.31Å; L240-F271 HydrophobicContact CD1-CZ 4.3Å; L240-F271 HydrophobicContact CD2-CE1 3.79Å; L240-F271 HydrophobicContact CD2-CZ 3.77Å; L240-F271 HydrophobicContact CG-CE1 4.47Å; L240-F271 HydrophobicContact CG-CZ 4.2Å
241G96.7Very high95.5Very high14 Ų1460.4 Ų60.414%0.14428%0.282CS..Hα-helixtrans-58.3-53.5174.300000112.1G237 K238 A243 R244 E245G237-G241 PolarHBondContact O-N 2.97Å; K238-G241 PolarHBondContact O-N 3.27Å; G241-A243 VanDerWaalsContact C-N 3.34Å; G241-A243 PolarHBondContact O-N 3.07Å; G241-R244 WeakPolarHBondContact O-CB 3.44Å; G241-R244 PolarHBondContact O-N 3.44Å; G241-E245 WeakPolarHBondContact O-CG 3.33Å; G241-E245 PolarHBondContact O-N 3.21Å
242L96.4Very high95.7Very high17 Ų1760.1 Ų60.19%0.08928%0.278CS..Hα-helixtrans-59.8-42.3178.2-68.9171000111.9M160 L180 K238 I239 K246M160-L242 HydrophobicContact CB-CD1 3.88Å; M160-L242 HydrophobicContact CB-CD2 4.37Å; M160-L242 HydrophobicContact CE-CD2 4.29Å; L180-L242 HydrophobicContact CD1-CB 3.99Å; K238-L242 WeakPolarHBondContact O-CG 3.45Å; K238-L242 PolarHBondContact O-N 2.92Å; I239-L242 PolarHBondContact O-N 2.77Å; L242-K246 WeakPolarHBondContact O-CG 3.35Å; L242-K246 PolarHBondContact O-N 3.47Å
243A96.8Very high95.7Very high1 Ų163.2 Ų63.21%0.00830%0.3CS..Hα-helixtrans-62.4-45.1175.700000111.6I239 L240 G241 E245 K246 K247 L248 V250I239-A243 WeakPolarHBondContact O-CB 3.48Å; I239-A243 PolarHBondContact O-N 2.65Å; L240-A243 PolarHBondContact O-N 3.29Å; G241-A243 VanDerWaalsContact C-N 3.34Å; G241-A243 PolarHBondContact O-N 3.07Å; A243-E245 PolarHBondContact O-N 3.4Å; A243-K246 CarbonylContact O-C 3.52Å; A243-K246 WeakPolarHBondContact O-CA 3.49Å; A243-K246 PolarHBondContact O-N 3.02Å; A243-K246 VanDerWaalsContact O-N 3.09Å; A243-K247 PolarHBondContact O-N 2.97Å; A243-L248 CarbonylContact C-O 3.6Å; A243-L248 HydrophobicContact CB-CB 4.17Å; A243-L248 WeakPolarHBondContact O-CA 3.37Å; A243-L248 WeakPolarHBondContact O-CB 3.35Å; A243-L248 PolarHBondContact O-N 3.05Å; A243-V250 HydrophobicContact CB-CG2 3.78Å
244R97Very high95.6Very high190 Ų19061.4 Ų61.472%0.71729%0.293SS*.Hα-helixtrans-62.4-41.6179.8-178.7179.462.3-172.2-2.1112.3L240 G241 K246 K247L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 2.85Å; G241-R244 WeakPolarHBondContact O-CB 3.44Å; G241-R244 PolarHBondContact O-N 3.44Å; R244-K246 PolarHBondContact O-N 3.11Å; R244-K247 PolarHBondContact O-N 3.2Å
245E96.2Very high95.5Very high140 Ų14057.8 Ų57.865%0.65428%0.279SS*.Hα-helixtrans-57.1-32.7174.8-73.6169-163.300112.2G241 A243 K247G241-E245 WeakPolarHBondContact O-CG 3.33Å; G241-E245 PolarHBondContact O-N 3.21Å; A243-E245 PolarHBondContact O-N 3.4Å; E245-K247 VanDerWaalsContact C-N 3.33Å
246K94.8Very high95.3Very high91 Ų9158.3 Ų58.340%0.39628%0.281SS..THydrogen-bonded Turntrans-90.79.4177.2-57.8-68.7174.1160.70113.6D177 L242 A243 R244 L248D177-K246 VanDerWaalsContact CG-NZ 3.25Å; D177-K246 WeakPolarHBondContact OD1-CE 2.91Å; D177-K246 IonicContact OD1-NZ 2.79Å; D177-K246 PolarHBondContact OD1-NZ 3.1Å; D177-K246 IonicContact OD2-NZ 3.69Å; D177-K246 PolarHBondContact OD2-NZ 2.81Å; L242-K246 WeakPolarHBondContact O-CG 3.35Å; L242-K246 PolarHBondContact O-N 3.47Å; A243-K246 CarbonylContact O-C 3.52Å; A243-K246 WeakPolarHBondContact O-CA 3.49Å; A243-K246 PolarHBondContact O-N 3.02Å; A243-K246 VanDerWaalsContact O-N 3.09Å; R244-K246 PolarHBondContact O-N 3.11Å; K246-L248 HydrophobicContact CB-CD1 3.96Å; K246-L248 HydrophobicContact CB-CG 3.99Å; K246-L248 PolarHBondContact O-N 2.9Å
247K97Very high95.1Very high200 Ų20058.2 Ų58.287%0.8728%0.281SS*.THydrogen-bonded Turntrans56.230.4-174.5-54179.4-179.1179.10113.1A243 R244 E245A243-K247 PolarHBondContact O-N 2.97Å; R244-K247 PolarHBondContact O-N 3.2Å; E245-K247 VanDerWaalsContact C-N 3.33Å
248L97.1Very high94.7Very high42 Ų4258.2 Ų58.222%0.2227%0.273CS..  trans-99155174.6-58.6173.6000110L180 R181 A243 K246L180-L248 HydrophobicContact CB-CD1 4.01Å; R181-L248 HydrophobicContact CG-CD1 3.82Å; R181-L248 HydrophobicContact CG-CD2 4.12Å; A243-L248 CarbonylContact C-O 3.6Å; A243-L248 HydrophobicContact CB-CB 4.17Å; A243-L248 WeakPolarHBondContact O-CA 3.37Å; A243-L248 WeakPolarHBondContact O-CB 3.35Å; A243-L248 PolarHBondContact O-N 3.05Å; K246-L248 HydrophobicContact CB-CD1 3.96Å; K246-L248 HydrophobicContact CB-CG 3.99Å; K246-L248 PolarHBondContact O-N 2.9Å
249K95.5Very high94.4Very high143 Ų14355.6 Ų55.662%0.62226%0.262SS*.  trans-123.1113.5175.2-167.9-173.7-170.2-168.30109.2S184 Q251S184-K249 WeakPolarHBondContact CB-O 3.35Å; K249-Q251 HydrophobicContact CG-CB 4.43Å
250V95.8Very high94Very high9 Ų957.3 Ų57.36%0.05527%0.27CS..  trans-90.6115.5170.3178.90000107L183 L189 L240 A243 F271L183-V250 HydrophobicContact CD2-CG1 4.37Å; L183-V250 HydrophobicContact CD2-CG2 4.14Å; L183-V250 HydrophobicContact CG-CG1 4.22Å; L183-V250 HydrophobicContact CG-CG2 4.26Å; L189-V250 HydrophobicContact CD1-CG1 4.41Å; L240-V250 HydrophobicContact CD2-CB 4.02Å; A243-V250 HydrophobicContact CB-CG2 3.78Å; V250-F271 HydrophobicContact CG1-CZ 4.29Å
251Q94.8Very high93.7Very high112 Ų11256.8 Ų56.852%0.52327%0.27SS..  trans-145.975.5-178.3-169175.416.200110K249K249-Q251 HydrophobicContact CG-CB 4.43Å
252P95.4Very high93.5Very high8 Ų857 Ų575%0.05227%0.27CS..  trans-63.9144.9175.329.8-36.6000111.2T187 L189 F271 V274T187-P252 CarbonylContact O-C 3.54Å; T187-P252 WeakPolarHBondContact O-CA 3.12Å; L189-P252 HydrophobicContact CD1-CB 3.94Å; L189-P252 HydrophobicContact CD1-CG 3.84Å; L189-P252 HydrophobicContact CG-CB 3.92Å; L189-P252 HydrophobicContact CG-CG 4.38Å; P252-F271 HydrophobicContact CG-CD1 4.2Å; P252-F271 HydrophobicContact CG-CD2 4.39Å; P252-F271 HydrophobicContact CG-CE1 4.29Å; P252-F271 HydrophobicContact CG-CE2 4.49Å; P252-F271 HydrophobicContact CG-CG 4.24Å; P252-F271 HydrophobicContact CG-CZ 4.44Å; P252-V274 HydrophobicContact CB-CG2 4.25Å; P252-V274 HydrophobicContact CG-CG2 4.11Å
253S93.4Very high93.4Very high70 Ų7056.4 Ų56.449%0.4927%0.267SS..SBendtrans-90.7-27.3166.956.20000112T187 W275T187-S253 PolarHBondContact O-N 2.72Å; T187-S253 PolarHBondContact O-OG 3.28Å; T187-S253 VanDerWaalsContact O-OG 3.09Å; S253-W275 PolarHBondContact O-N 2.71Å
254L91.8Very high93.2Very high8 Ų857.2 Ų57.24%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-138.4130.5-178.1174.552.9000110.1T187 M188 L189 M256 W275 K277T187-L254 PolarHBondContact O-N 2.95Å; M188-L254 CarbonylContact C-O 3.45Å; M188-L254 VanDerWaalsContact CA-O 3.26Å; M188-L254 WeakPolarHBondContact CA-O 3.45Å; M188-L254 HydrophobicContact CE-CD2 3.35Å; M188-L254 HydrophobicContact CE-CG 4.07Å; L189-L254 PolarHBondContact N-O 2.76Å; L254-M256 HydrophobicContact CD1-CG 4.5Å; L254-W275 CarbonylContact C-O 3.59Å; L254-W275 WeakPolarHBondContact CA-O 3.39Å; L254-W275 HydrophobicContact CD1-CB 4.2Å; L254-W275 HydrophobicContact CD1-CD2 4.34Å; L254-W275 HydrophobicContact CD1-CE3 3.95Å; L254-W275 HydrophobicContact CD1-CG 4.44Å; L254-W275 VanDerWaalsContact CD1-O 3.3Å; L254-W275 WeakPolarHBondContact CD1-O 3.24Å; L254-W275 HydrophobicContact CD2-CE3 4.41Å; L254-K277 HydrophobicContact CD1-CB 3.96Å; L254-K277 HydrophobicContact CD1-CG 3.6Å
255C93.2Very high93.1Very high0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-121.4124.8171.1-730000109.9L189 M257 I267 V274 W275 I276 K277L189-C255 WeakPolarHBondContact O-CA 3.49Å; C255-M257 HydrophobicContact CB-CE 3.53Å; C255-I267 HydrophobicContact CB-CD1 3.51Å; C255-I267 WeakPolarHBondContact SG-CD1 3.38Å; C255-V274 HydrophobicContact CB-CG2 4Å; C255-V274 VanDerWaalsContact SG-CG2 3.55Å; C255-W275 PolarHBondContact N-O 3.46Å; C255-I276 WeakPolarHBondContact O-CA 3.28Å; C255-K277 PolarHBondContact O-N 2.85Å
256M90.6Very high93.1Very high12 Ų1245.3 Ų45.36%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-103.5133.7175.1-83.1-179.770.800110.1L189 F190 C191 L254 K277 D387L189-M256 PolarHBondContact O-N 3.23Å; F190-M256 CarbonylContact C-O 3.6Å; F190-M256 VanDerWaalsContact CA-O 3.26Å; F190-M256 WeakPolarHBondContact CA-O 3.42Å; F190-M256 HydrophobicContact CD1-CB 3.32Å; F190-M256 HydrophobicContact CD1-CG 4.27Å; F190-M256 HydrophobicContact CD1-SD 4.26Å; F190-M256 HydrophobicContact CE1-CB 3.61Å; F190-M256 HydrophobicContact CE1-CE 4.17Å; F190-M256 HydrophobicContact CE1-CG 4.07Å; F190-M256 HydrophobicContact CE1-SD 3.52Å; F190-M256 VanDerWaalsContact CE1-SD 3.52Å; F190-M256 HydrophobicContact CG-CB 4.44Å; F190-M256 HydrophobicContact CZ-SD 4.46Å; C191-M256 PolarHBondContact N-O 3.43Å; L254-M256 HydrophobicContact CD1-CG 4.5Å; M256-K277 CarbonylContact C-O 3.53Å; M256-K277 WeakPolarHBondContact CA-O 3.3Å; M256-K277 HydrophobicContact CG-CB 3.69Å; M256-D387 HydrophobicContact CE-CB 4.16Å; M256-D387 WeakPolarHBondContact CE-OD1 3.38Å
257M91Very high93.1Very high4 Ų441 Ų412%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-156.6172.9-17364.4-161.67000112.4C191 C255 M264 I267 I276 K277 G278 C279C191-M257 HydrophobicContact CB-CB 4.24Å; C191-M257 WeakPolarHBondContact O-CB 3.47Å; C255-M257 HydrophobicContact CB-CE 3.53Å; M257-M264 HydrophobicContact CG-CG 4.11Å; M257-M264 HydrophobicContact SD-CB 4.24Å; M257-M264 HydrophobicContact SD-CG 3.59Å; M257-M264 VanDerWaalsContact SD-CG 3.59Å; M257-I267 HydrophobicContact CE-CD1 3.72Å; M257-I267 HydrophobicContact CE-CG2 3.61Å; M257-I267 HydrophobicContact SD-CG2 3.9Å; M257-I276 HydrophobicContact CE-CB 4.5Å; M257-I276 HydrophobicContact CE-CG1 4.27Å; M257-I276 HydrophobicContact CE-CG2 3.74Å; M257-I276 HydrophobicContact CG-CG2 4.23Å; M257-I276 HydrophobicContact SD-CG2 3.77Å; M257-K277 PolarHBondContact N-O 2.94Å; M257-G278 CarbonylContact O-C 3.58Å; M257-G278 VanDerWaalsContact O-CA 3.29Å; M257-G278 WeakPolarHBondContact O-CA 3.22Å; M257-C279 PolarHBondContact O-N 3.24Å
258D88.2Confident93Very high31 Ų3135.2 Ų35.217%0.16618%0.184CC..  trans-69.4159.9169-73.3-6000112.3Q260 S282D258-Q260 PolarHBondContact O-N 3.28Å; D258-S282 WeakPolarHBondContact OD1-CB 3.43Å; D258-S282 PolarHBondContact OD1-OG 3.06Å
259F88Confident92.9Very high18 Ų1838.9 Ų38.98%0.07920%0.199CC..SBendtrans-74.857.6175.4-67.9-80.2000112.2C279 F283 L286 F351 F368 W373F259-C279 WeakPolarHBondContact CE2-O 3.39Å; F259-F283 HydrophobicContact CD2-CB 4.4Å; F259-F283 VanDerWaalsContact CE2-CA 3.45Å; F259-F283 HydrophobicContact CE2-CB 3.51Å; F259-F283 HydrophobicContact CE2-CD2 4.45Å; F259-F283 VanDerWaalsContact CE2-N 3.31Å; F259-F283 HydrophobicContact CZ-CB 4.02Å; F259-F283 HydrophobicContact CZ-CD2 4.28Å; F259-L286 HydrophobicContact CB-CD1 3.49Å; F259-L286 VanDerWaalsContact CB-CD1 3.49Å; F259-L286 HydrophobicContact CD2-CD1 3.96Å; F259-L286 HydrophobicContact CG-CD1 3.83Å; F259-F351 HydrophobicContact CD1-CE1 4.44Å; F259-F351 HydrophobicContact CE1-CE1 4.32Å; F259-F368 HydrophobicContact CB-CD1 4.48Å; F259-F368 HydrophobicContact CB-CD2 4.36Å; F259-F368 HydrophobicContact CB-CE1 4.04Å; F259-F368 HydrophobicContact CB-CE2 3.91Å; F259-F368 HydrophobicContact CB-CZ 3.73Å; F259-F368 HydrophobicContact CD1-CB 3.97Å; F259-F368 AromaticContact CD1-CD1 3.7Å; F259-F368 HydrophobicContact CD1-CD1 3.7Å; F259-F368 AromaticContact CD1-CD2 3.9Å; F259-F368 HydrophobicContact CD1-CD2 3.9Å; F259-F368 HydrophobicContact CD1-CE1 4.1Å; F259-F368 HydrophobicContact CD1-CE2 4.29Å; F259-F368 AromaticContact CD1-CG 3.58Å; F259-F368 HydrophobicContact CD1-CG 3.58Å; F259-F368 HydrophobicContact CD1-CZ 4.38Å; F259-F368 HydrophobicContact CE1-CB 4.12Å; F259-F368 HydrophobicContact CE1-CG 4.25Å; F259-F368 HydrophobicContact CG-CD2 4.43Å; F259-F368 HydrophobicContact CG-CE2 4.45Å; F259-F368 HydrophobicContact CG-CG 4.49Å; F259-F368 WeakPolarHBondContact O-CZ 3.29Å; F259-W373 HydrophobicContact CE1-CB 3.87Å; F259-W373 HydrophobicContact CZ-CB 3.55Å
260Q88.8Confident93Very high40 Ų4034.1 Ų34.119%0.18718%0.18CC..  trans-108.1106.2175.8-172.3171.3-33.400109.8Y232 D258 A262 N263 M264Y232-Q260 PolarHBondContact OH-NE2 3.35Å; D258-Q260 PolarHBondContact O-N 3.28Å; Q260-A262 HydrophobicContact CG-CB 4.39Å; Q260-A262 PolarHBondContact O-N 3.23Å; Q260-A262 VanDerWaalsContact O-N 3.14Å; Q260-N263 HydrophobicContact CB-CB 4.33Å; Q260-N263 PolarHBondContact O-N 3.32Å; Q260-M264 PolarHBondContact O-N 3.3Å
261P90.6Very high93Very high43 Ų4334.8 Ų34.828%0.27918%0.182SC..Hα-helixtrans-54.6-38.8-175.5-27.534000113.6N263 M264 N265 F368P261-N263 VanDerWaalsContact C-N 3.3Å; P261-N263 PolarHBondContact O-N 2.81Å; P261-M264 PolarHBondContact O-N 3.5Å; P261-N265 VanDerWaalsContact O-CB 3.28Å; P261-N265 WeakPolarHBondContact O-CB 3.3Å; P261-N265 PolarHBondContact O-N 3.09Å; P261-N265 PolarHBondContact O-ND2 3.36Å; P261-N265 PolarHBondContact O-OD1 3.09Å; P261-F368 HydrophobicContact CG-CE1 4.1Å; P261-F368 HydrophobicContact CG-CZ 4.03Å
262A92.3Very high93Very high18 Ų1834 Ų3415%0.14919%0.187CC..Hα-helixtrans-58.7-39.3177.700000113E229 Y232 Q260 A266E229-A262 HydrophobicContact CB-CB 4.09Å; Y232-A262 HydrophobicContact CD2-CB 4.09Å; Y232-A262 HydrophobicContact CE2-CB 4.01Å; Q260-A262 HydrophobicContact CG-CB 4.39Å; Q260-A262 PolarHBondContact O-N 3.23Å; Q260-A262 VanDerWaalsContact O-N 3.14Å; A262-A266 VanDerWaalsContact O-CB 3.24Å; A262-A266 WeakPolarHBondContact O-CB 3.28Å; A262-A266 PolarHBondContact O-N 2.92Å
263N93.4Very high92.9Very high4 Ų442.9 Ų42.92%0.02123%0.225CC..Hα-helixtrans-76.4-44.8178-175.514.5000110.9C191 Y232 Y236 Q260 P261 N265 A266 I267C191-N263 PolarHBondContact O-ND2 3.3Å; Y232-N263 HydrophobicContact CD1-CB 4.36Å; Y232-N263 HydrophobicContact CD2-CB 4.04Å; Y232-N263 HydrophobicContact CE1-CB 4.38Å; Y232-N263 HydrophobicContact CE2-CB 4.05Å; Y232-N263 HydrophobicContact CG-CB 4.22Å; Y236-N263 WeakPolarHBondContact CE2-OD1 3.42Å; Y236-N263 PolarHBondContact OH-OD1 3.31Å; Q260-N263 HydrophobicContact CB-CB 4.33Å; Q260-N263 PolarHBondContact O-N 3.32Å; P261-N263 VanDerWaalsContact C-N 3.3Å; P261-N263 PolarHBondContact O-N 2.81Å; N263-N265 PolarHBondContact O-N 3.24Å; N263-A266 PolarHBondContact O-N 3.26Å; N263-I267 WeakPolarHBondContact O-CG2 3.37Å; N263-I267 PolarHBondContact O-N 3.39Å
264M93.8Very high93Very high19 Ų1940 Ų409%0.09420%0.204CC..Hα-helixtrans-60.2-43.4178.5-64.7177.378.800112.3M257 Q260 P261 I267 Q268 I276 F368 T372M257-M264 HydrophobicContact CG-CG 4.11Å; M257-M264 HydrophobicContact SD-CB 4.24Å; M257-M264 HydrophobicContact SD-CG 3.59Å; M257-M264 VanDerWaalsContact SD-CG 3.59Å; Q260-M264 PolarHBondContact O-N 3.3Å; P261-M264 PolarHBondContact O-N 3.5Å; M264-I267 WeakPolarHBondContact O-CG2 3.19Å; M264-Q268 VanDerWaalsContact O-CB 3.31Å; M264-Q268 WeakPolarHBondContact O-CB 3.3Å; M264-Q268 PolarHBondContact O-N 2.78Å; M264-I276 HydrophobicContact CB-CD1 4.47Å; M264-I276 HydrophobicContact CE-CG2 3.67Å; M264-I276 HydrophobicContact CG-CG2 4.23Å; M264-I276 VanDerWaalsContact O-CD1 3.31Å; M264-I276 WeakPolarHBondContact O-CD1 3.49Å; M264-F368 HydrophobicContact CE-CD1 4.34Å; M264-F368 HydrophobicContact SD-CD1 3.93Å; M264-F368 HydrophobicContact SD-CE1 3.77Å; M264-T372 HydrophobicContact CE-CG2 4.16Å
265N94.1Very high93Very high80 Ų8045.3 Ų45.343%0.42822%0.224SC..Hα-helixtrans-66.4-45.5176.9-68.3-8.3000111.3E229 P261 N263 I267 Q268 E269E229-N265 VanDerWaalsContact CD-CB 3.44Å; E229-N265 HydrophobicContact CG-CB 4.05Å; E229-N265 VanDerWaalsContact OE2-CB 3.26Å; E229-N265 WeakPolarHBondContact OE2-CB 3.23Å; E229-N265 PolarHBondContact OE2-ND2 2.98Å; P261-N265 VanDerWaalsContact O-CB 3.28Å; P261-N265 WeakPolarHBondContact O-CB 3.3Å; P261-N265 PolarHBondContact O-N 3.09Å; P261-N265 PolarHBondContact O-ND2 3.36Å; P261-N265 PolarHBondContact O-OD1 3.09Å; N263-N265 PolarHBondContact O-N 3.24Å; N265-I267 PolarHBondContact O-N 3.2Å; N265-Q268 PolarHBondContact O-N 2.77Å; N265-E269 PolarHBondContact O-N 3.34Å
266A95.5Very high93Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-59.4-46.7179.800000112.2E229 Y232 K233 Y236 A262 N263 E269 I270E229-A266 HydrophobicContact CG-CB 4.23Å; Y232-A266 VanDerWaalsContact CB-CB 3.46Å; K233-A266 HydrophobicContact CB-CB 4.49Å; K233-A266 HydrophobicContact CG-CB 3.61Å; Y236-A266 HydrophobicContact CD2-CB 4.3Å; Y236-A266 HydrophobicContact CE2-CB 4.29Å; A262-A266 VanDerWaalsContact O-CB 3.24Å; A262-A266 WeakPolarHBondContact O-CB 3.28Å; A262-A266 PolarHBondContact O-N 2.92Å; N263-A266 PolarHBondContact O-N 3.26Å; A266-E269 PolarHBondContact O-N 2.98Å; A266-I270 VanDerWaalsContact O-CG1 3.24Å; A266-I270 WeakPolarHBondContact O-CG1 3.4Å; A266-I270 PolarHBondContact O-N 2.51Å
267I94.9Very high93Very high1 Ų145.8 Ų45.81%0.00523%0.226CC..Hα-helixtrans-72.4-34.4-178.4-158.3174.7000112.2Y236 C255 M257 N263 M264 N265 E269 I270 F271 I276Y236-I267 HydrophobicContact CD2-CB 4.36Å; Y236-I267 HydrophobicContact CE1-CD1 4.18Å; Y236-I267 HydrophobicContact CE1-CG1 4.32Å; Y236-I267 HydrophobicContact CE2-CB 3.73Å; Y236-I267 HydrophobicContact CE2-CD1 4.45Å; Y236-I267 HydrophobicContact CE2-CG1 4.07Å; C255-I267 HydrophobicContact CB-CD1 3.51Å; C255-I267 WeakPolarHBondContact SG-CD1 3.38Å; M257-I267 HydrophobicContact CE-CD1 3.72Å; M257-I267 HydrophobicContact CE-CG2 3.61Å; M257-I267 HydrophobicContact SD-CG2 3.9Å; N263-I267 WeakPolarHBondContact O-CG2 3.37Å; N263-I267 PolarHBondContact O-N 3.39Å; M264-I267 WeakPolarHBondContact O-CG2 3.19Å; N265-I267 PolarHBondContact O-N 3.2Å; I267-E269 VanDerWaalsContact C-N 3.32Å; I267-I270 PolarHBondContact O-N 2.64Å; I267-F271 HydrophobicContact CG1-CD2 3.79Å; I267-F271 HydrophobicContact CG1-CE2 4.33Å; I267-F271 PolarHBondContact O-N 2.74Å; I267-I276 HydrophobicContact CG2-CD1 3.51Å; I267-I276 HydrophobicContact CG2-CG1 4.08Å
268Q94.8Very high92.8Very high78 Ų7845.9 Ų45.936%0.36423%0.228SC..Hα-helixtrans-63.7-39.5173.7-170.263.950.100111.3M264 N265 F271 P272 I276M264-Q268 VanDerWaalsContact O-CB 3.31Å; M264-Q268 WeakPolarHBondContact O-CB 3.3Å; M264-Q268 PolarHBondContact O-N 2.78Å; N265-Q268 PolarHBondContact O-N 2.77Å; Q268-F271 CarbonylContact O-C 3.48Å; Q268-F271 VanDerWaalsContact O-C 3.28Å; Q268-P272 PolarHBondContact NE2-O 3.25Å; Q268-P272 WeakPolarHBondContact O-CA 3.31Å; Q268-I276 HydrophobicContact CB-CD1 3.84Å; Q268-I276 VanDerWaalsContact OE1-CD1 3.28Å
269E96.4Very high92.6Very high118 Ų11845 Ų4555%0.55122%0.224SC*.Hα-helixtrans-67.7-43.8177-174.1172.5120.600111.9K233 N265 A266 I267K233-E269 WeakPolarHBondContact CD-OE1 3.3Å; K233-E269 WeakPolarHBondContact CE-OE1 3.43Å; K233-E269 WeakPolarHBondContact CE-OE2 3.14Å; K233-E269 IonicContact NZ-OE1 3.21Å; K233-E269 PolarHBondContact NZ-OE1 3.11Å; K233-E269 IonicContact NZ-OE2 3.33Å; K233-E269 PolarHBondContact NZ-OE2 3.29Å; N265-E269 PolarHBondContact O-N 3.34Å; A266-E269 PolarHBondContact O-N 2.98Å; I267-E269 VanDerWaalsContact C-N 3.32Å
270I96.5Very high92.5Very high44 Ų4445.1 Ų45.123%0.22623%0.225CC..Hα-helixtrans-72.5-34.1-179.1-62.7-69.7000111.9L240 A266 I267L240-I270 HydrophobicContact CD1-CG2 3.45Å; L240-I270 VanDerWaalsContact CD1-CG2 3.45Å; L240-I270 HydrophobicContact CG-CG2 4.34Å; A266-I270 VanDerWaalsContact O-CG1 3.24Å; A266-I270 WeakPolarHBondContact O-CG1 3.4Å; A266-I270 PolarHBondContact O-N 2.51Å; I267-I270 PolarHBondContact O-N 2.64Å
271F95.4Very high92Very high22 Ų2245.4 Ų45.410%0.09623%0.226CC..SBendtrans-125.877.1177.8-56.3-78.3000111.1L240 V250 P252 I267 Q268 K273 V274L240-F271 HydrophobicContact CD1-CE1 4.31Å; L240-F271 HydrophobicContact CD1-CZ 4.3Å; L240-F271 HydrophobicContact CD2-CE1 3.79Å; L240-F271 HydrophobicContact CD2-CZ 3.77Å; L240-F271 HydrophobicContact CG-CE1 4.47Å; L240-F271 HydrophobicContact CG-CZ 4.2Å; V250-F271 HydrophobicContact CG1-CZ 4.29Å; P252-F271 HydrophobicContact CG-CD1 4.2Å; P252-F271 HydrophobicContact CG-CD2 4.39Å; P252-F271 HydrophobicContact CG-CE1 4.29Å; P252-F271 HydrophobicContact CG-CE2 4.49Å; P252-F271 HydrophobicContact CG-CG 4.24Å; P252-F271 HydrophobicContact CG-CZ 4.44Å; I267-F271 HydrophobicContact CG1-CD2 3.79Å; I267-F271 HydrophobicContact CG1-CE2 4.33Å; I267-F271 PolarHBondContact O-N 2.74Å; Q268-F271 CarbonylContact O-C 3.48Å; Q268-F271 VanDerWaalsContact O-C 3.28Å; F271-K273 PolarHBondContact O-N 2.9Å; F271-V274 HydrophobicContact CB-CB 3.76Å; F271-V274 HydrophobicContact CB-CG1 3.88Å; F271-V274 WeakPolarHBondContact O-CB 3.44Å; F271-V274 WeakPolarHBondContact O-CG1 3.4Å; F271-V274 PolarHBondContact O-N 3.26Å
272P94.9Very high91.7Very high95 Ų9543.7 Ų43.762%0.61722%0.215SC*.THydrogen-bonded Turntrans-58.7-18.8-173.2-27.936000116.3Q268Q268-P272 PolarHBondContact NE2-O 3.25Å; Q268-P272 WeakPolarHBondContact O-CA 3.31Å
273K94.2Very high91.6Very high195 Ų19542.9 Ų42.985%0.84821%0.208SC*.THydrogen-bonded Turntrans-101.81.6179.9-60.5-173.8179.4-174.80113.4F271F271-K273 PolarHBondContact O-N 2.9Å
274V94.2Very high91.4Very high9 Ų943.3 Ų43.36%0.05521%0.212CC..PPolyproline II helixtrans-74140.3179.979.60000109.6P252 C255 F271 I276P252-V274 HydrophobicContact CB-CG2 4.25Å; P252-V274 HydrophobicContact CG-CG2 4.11Å; C255-V274 HydrophobicContact CB-CG2 4Å; C255-V274 VanDerWaalsContact SG-CG2 3.55Å; F271-V274 HydrophobicContact CB-CB 3.76Å; F271-V274 HydrophobicContact CB-CG1 3.88Å; F271-V274 WeakPolarHBondContact O-CB 3.44Å; F271-V274 WeakPolarHBondContact O-CG1 3.4Å; F271-V274 PolarHBondContact O-N 3.26Å; V274-I276 HydrophobicContact CG1-CG1 3.97Å
275W92.9Very high91Very high120 Ų12045.7 Ų45.746%0.45522%0.223SC..EExtended strand (participates in β ladder)trans-85.1128.1166.2-165.430.5000109.2S253 L254 C255 K277S253-W275 PolarHBondContact O-N 2.71Å; L254-W275 CarbonylContact C-O 3.59Å; L254-W275 WeakPolarHBondContact CA-O 3.39Å; L254-W275 HydrophobicContact CD1-CB 4.2Å; L254-W275 HydrophobicContact CD1-CD2 4.34Å; L254-W275 HydrophobicContact CD1-CE3 3.95Å; L254-W275 HydrophobicContact CD1-CG 4.44Å; L254-W275 VanDerWaalsContact CD1-O 3.3Å; L254-W275 WeakPolarHBondContact CD1-O 3.24Å; L254-W275 HydrophobicContact CD2-CE3 4.41Å; C255-W275 PolarHBondContact N-O 3.46Å; W275-K277 HydrophobicContact CD2-CG 4.4Å; W275-K277 VanDerWaalsContact CE2-CE 3.42Å; W275-K277 HydrophobicContact CE3-CG 4.44Å; W275-K277 HydrophobicContact CZ2-CD 4.37Å; W275-K277 VanDerWaalsContact CZ2-NZ 3.33Å
276I92.3Very high90.8Very high14 Ų1443.5 Ų43.57%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-99.6130.5177.6-61.6177.3000109.1C255 M257 M264 I267 Q268 V274C255-I276 WeakPolarHBondContact O-CA 3.28Å; M257-I276 HydrophobicContact CE-CB 4.5Å; M257-I276 HydrophobicContact CE-CG1 4.27Å; M257-I276 HydrophobicContact CE-CG2 3.74Å; M257-I276 HydrophobicContact CG-CG2 4.23Å; M257-I276 HydrophobicContact SD-CG2 3.77Å; M264-I276 HydrophobicContact CB-CD1 4.47Å; M264-I276 HydrophobicContact CE-CG2 3.67Å; M264-I276 HydrophobicContact CG-CG2 4.23Å; M264-I276 VanDerWaalsContact O-CD1 3.31Å; M264-I276 WeakPolarHBondContact O-CD1 3.49Å; I267-I276 HydrophobicContact CG2-CD1 3.51Å; I267-I276 HydrophobicContact CG2-CG1 4.08Å; Q268-I276 HydrophobicContact CB-CD1 3.84Å; Q268-I276 VanDerWaalsContact OE1-CD1 3.28Å; V274-I276 HydrophobicContact CG1-CG1 3.97Å
277K90.3Very high90.6Very high9 Ų943.5 Ų43.54%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-124.8134.1172.9-76.2-67.3-170.21760111.1L254 C255 M256 M257 W275 E371 T372 N374 L378L254-K277 HydrophobicContact CD1-CB 3.96Å; L254-K277 HydrophobicContact CD1-CG 3.6Å; C255-K277 PolarHBondContact O-N 2.85Å; M256-K277 CarbonylContact C-O 3.53Å; M256-K277 WeakPolarHBondContact CA-O 3.3Å; M256-K277 HydrophobicContact CG-CB 3.69Å; M257-K277 PolarHBondContact N-O 2.94Å; W275-K277 HydrophobicContact CD2-CG 4.4Å; W275-K277 VanDerWaalsContact CE2-CE 3.42Å; W275-K277 HydrophobicContact CE3-CG 4.44Å; W275-K277 HydrophobicContact CZ2-CD 4.37Å; W275-K277 VanDerWaalsContact CZ2-NZ 3.33Å; K277-E371 WeakPolarHBondContact CE-O 3.43Å; K277-E371 PolarHBondContact NZ-O 3.04Å; K277-T372 CarbonylContact C-O 3.5Å; K277-T372 VanDerWaalsContact CA-O 3.28Å; K277-T372 WeakPolarHBondContact CA-O 3.39Å; K277-T372 VanDerWaalsContact CD-O 3.3Å; K277-T372 WeakPolarHBondContact CD-O 3.28Å; K277-N374 PolarHBondContact NZ-O 3.33Å; K277-L378 HydrophobicContact CD-CD1 4.3Å; K277-L378 HydrophobicContact CG-CD1 4.38Å
278G87.6Confident90.4Very high5 Ų548.9 Ų48.95%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-75.6138.8168.500000110.6M257 T372M257-G278 CarbonylContact O-C 3.58Å; M257-G278 VanDerWaalsContact O-CA 3.29Å; M257-G278 WeakPolarHBondContact O-CA 3.22Å; G278-T372 PolarHBondContact N-O 3.45Å
279C84.3Confident90.3Very high13 Ų1350.2 Ų50.29%0.08824%0.237CC..  trans-69.7138.1172.81750000110.7M257 F259 F281 S282 F283 D387M257-C279 PolarHBondContact O-N 3.24Å; F259-C279 WeakPolarHBondContact CE2-O 3.39Å; C279-F281 PolarHBondContact O-N 2.94Å; C279-F281 PolarHBondContact SG-N 3.41Å; C279-S282 WeakPolarHBondContact CB-OG 3.17Å; C279-S282 PolarHBondContact O-N 2.75Å; C279-F283 PolarHBondContact O-N 3.43Å; C279-D387 PolarHBondContact SG-OD1 2.67Å
280L85.1Confident90.1Very high20 Ų2047.1 Ų47.111%0.10522%0.221CC..Hα-helixtrans-65.8-31.1-178.9-175.266.2000111.7S282 F283 A284 P318 F319 Y384 D387 L478L280-S282 VanDerWaalsContact C-N 3.35Å; L280-F283 HydrophobicContact CD1-CD1 4.21Å; L280-F283 WeakPolarHBondContact O-CB 3.46Å; L280-F283 PolarHBondContact O-N 2.96Å; L280-A284 VanDerWaalsContact O-CB 3.31Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.04Å; L280-P318 HydrophobicContact CD1-CB 3.88Å; L280-P318 HydrophobicContact CD1-CG 3.73Å; L280-F319 HydrophobicContact CD1-CE2 4.36Å; L280-F319 HydrophobicContact CD2-CE2 3.98Å; L280-F319 HydrophobicContact CD2-CZ 3.55Å; L280-Y384 HydrophobicContact CD2-CE2 4.1Å; L280-Y384 WeakPolarHBondContact CD2-OH 3.32Å; L280-D387 VanDerWaalsContact CB-OD2 3.27Å; L280-D387 WeakPolarHBondContact CB-OD2 3.46Å; L280-D387 PolarHBondContact N-OD2 3.16Å; L280-L478 HydrophobicContact CD2-CD2 4.48Å
281F79.6Confident89.9Confident47 Ų4745.2 Ų45.221%0.20621%0.211CC..Hα-helixtrans-59-47.6174.1175-100.6000111.4C279 A284 Q285 K391 H394C279-F281 PolarHBondContact O-N 2.94Å; C279-F281 PolarHBondContact SG-N 3.41Å; F281-A284 PolarHBondContact O-N 3Å; F281-Q285 WeakPolarHBondContact O-CB 3.43Å; F281-Q285 PolarHBondContact O-N 2.9Å; F281-K391 HydrophobicContact CD2-CD 4.06Å; F281-K391 HydrophobicContact CD2-CG 3.95Å; F281-K391 HydrophobicContact CE2-CD 4.43Å; F281-K391 HydrophobicContact CE2-CG 4.23Å; F281-K391 HydrophobicContact CG-CG 4.5Å; F281-H394 AromaticContact CE1-CD2 3.84Å
282S83.2Confident89.8Confident6 Ų647.6 Ų47.64%0.04223%0.23CC..Hα-helixtrans-72.1-35.1-177.6-32.60000111.2D258 C279 L280 A284 Q285 L286D258-S282 WeakPolarHBondContact OD1-CB 3.43Å; D258-S282 PolarHBondContact OD1-OG 3.06Å; C279-S282 WeakPolarHBondContact CB-OG 3.17Å; C279-S282 PolarHBondContact O-N 2.75Å; L280-S282 VanDerWaalsContact C-N 3.35Å; S282-A284 VanDerWaalsContact C-N 3.34Å; S282-Q285 PolarHBondContact O-N 2.95Å; S282-L286 WeakPolarHBondContact O-CG 3.47Å; S282-L286 PolarHBondContact O-N 2.82Å
283F89.7Confident89.7Confident2 Ų250.1 Ų50.11%0.00923%0.232CC..Hα-helixtrans-57.1-51.1169.3174.8-92.9000110.1F259 C279 L280 Q285 L286 L287 P318 F347 F351 W373F259-F283 HydrophobicContact CD2-CB 4.4Å; F259-F283 VanDerWaalsContact CE2-CA 3.45Å; F259-F283 HydrophobicContact CE2-CB 3.51Å; F259-F283 HydrophobicContact CE2-CD2 4.45Å; F259-F283 VanDerWaalsContact CE2-N 3.31Å; F259-F283 HydrophobicContact CZ-CB 4.02Å; F259-F283 HydrophobicContact CZ-CD2 4.28Å; C279-F283 PolarHBondContact O-N 3.43Å; L280-F283 HydrophobicContact CD1-CD1 4.21Å; L280-F283 WeakPolarHBondContact O-CB 3.46Å; L280-F283 PolarHBondContact O-N 2.96Å; F283-Q285 VanDerWaalsContact C-N 3.3Å; F283-Q285 PolarHBondContact O-N 2.74Å; F283-L286 PolarHBondContact O-N 3.04Å; F283-L287 PolarHBondContact O-N 3.23Å; F283-L287 VanDerWaalsContact O-N 3.16Å; F283-P318 HydrophobicContact CD1-CG 4Å; F283-P318 HydrophobicContact CE1-CG 3.61Å; F283-P318 HydrophobicContact CE2-CG 4.42Å; F283-P318 HydrophobicContact CZ-CG 3.83Å; F283-F347 HydrophobicContact CE2-CE2 4.08Å; F283-F347 HydrophobicContact CE2-CZ 4.12Å; F283-F347 AromaticContact CZ-CE2 3.58Å; F283-F347 HydrophobicContact CZ-CE2 3.58Å; F283-F347 AromaticContact CZ-CZ 3.69Å; F283-F347 HydrophobicContact CZ-CZ 3.69Å; F283-F351 HydrophobicContact CD2-CD1 4.26Å; F283-F351 AromaticContact CD2-CE1 3.81Å; F283-F351 HydrophobicContact CD2-CE1 3.81Å; F283-F351 AromaticContact CD2-CZ 3.99Å; F283-F351 HydrophobicContact CD2-CZ 3.99Å; F283-F351 HydrophobicContact CE2-CD1 4Å; F283-F351 HydrophobicContact CE2-CD2 4.3Å; F283-F351 AromaticContact CE2-CE1 3.95Å; F283-F351 HydrophobicContact CE2-CE1 3.95Å; F283-F351 HydrophobicContact CE2-CE2 4.24Å; F283-F351 HydrophobicContact CE2-CG 4.17Å; F283-F351 HydrophobicContact CE2-CZ 4.07Å; F283-W373 HydrophobicContact CD2-CB 4.07Å; F283-W373 HydrophobicContact CD2-CD2 4.48Å; F283-W373 HydrophobicContact CD2-CG 4.27Å; F283-W373 HydrophobicContact CE2-CB 4.49Å; F283-W373 HydrophobicContact CE2-CD2 4.03Å; F283-W373 HydrophobicContact CE2-CE3 4.07Å; F283-W373 HydrophobicContact CE2-CG 4.24Å; F283-W373 HydrophobicContact CZ-CE3 4.46Å
284A89.2Confident89.7Confident12 Ų1242.6 Ų42.610%0.09920%0.201CC..Hα-helixtrans-66.2-34.4-178.700000112L280 F281 S282 L287 R288 F315L280-A284 VanDerWaalsContact O-CB 3.31Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.04Å; F281-A284 PolarHBondContact O-N 3Å; S282-A284 VanDerWaalsContact C-N 3.34Å; A284-L287 PolarHBondContact O-N 2.76Å; A284-R288 WeakPolarHBondContact O-CB 3.25Å; A284-R288 WeakPolarHBondContact O-CG 3.21Å; A284-R288 PolarHBondContact O-N 3.48Å; A284-F315 HydrophobicContact CB-CD1 3.87Å; A284-F315 HydrophobicContact CB-CE1 3.67Å; A284-F315 WeakPolarHBondContact O-CE1 3.26Å
285Q86.3Confident89.6Confident69 Ų6950.1 Ų50.132%0.32224%0.235SC..Hα-helixtrans-65.2-43.9174.9-173.9177.34.900112F281 S282 F283 L287 R288 Q289F281-Q285 WeakPolarHBondContact O-CB 3.43Å; F281-Q285 PolarHBondContact O-N 2.9Å; S282-Q285 PolarHBondContact O-N 2.95Å; F283-Q285 VanDerWaalsContact C-N 3.3Å; F283-Q285 PolarHBondContact O-N 2.74Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 2.62Å; Q285-R288 PolarHBondContact O-N 3.06Å; Q285-Q289 HydrophobicContact CG-CG 4.49Å; Q285-Q289 WeakPolarHBondContact O-CB 3.44Å; Q285-Q289 VanDerWaalsContact O-CG 3.29Å; Q285-Q289 WeakPolarHBondContact O-CG 3.3Å; Q285-Q289 PolarHBondContact O-N 3.31Å
286L89.7Confident89.5Confident35 Ų3545 Ų4518%0.18322%0.217CC..Hα-helixtrans-58.8-43.6175.5-76-179.6000111.6F259 S282 F283 Q289 R290 F351 F368F259-L286 HydrophobicContact CB-CD1 3.49Å; F259-L286 VanDerWaalsContact CB-CD1 3.49Å; F259-L286 HydrophobicContact CD2-CD1 3.96Å; F259-L286 HydrophobicContact CG-CD1 3.83Å; S282-L286 WeakPolarHBondContact O-CG 3.47Å; S282-L286 PolarHBondContact O-N 2.82Å; F283-L286 PolarHBondContact O-N 3.04Å; L286-Q289 PolarHBondContact O-N 3.39Å; L286-R290 PolarHBondContact O-N 2.96Å; L286-F351 HydrophobicContact CD1-CZ 3.98Å; L286-F368 HydrophobicContact CD1-CE2 4.27Å
287L91.5Very high89.3Confident0 Ų046.7 Ų46.70%023%0.228CC..Hα-helixtrans-65.6-44.9178.3-173.855000111.6F283 A284 Q285 Q289 R290 I291 L314 F315 L343 F347F283-L287 PolarHBondContact O-N 3.23Å; F283-L287 VanDerWaalsContact O-N 3.16Å; A284-L287 PolarHBondContact O-N 2.76Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 2.62Å; L287-Q289 VanDerWaalsContact C-N 3.35Å; L287-Q289 PolarHBondContact O-N 3.45Å; L287-R290 PolarHBondContact O-N 2.89Å; L287-R290 VanDerWaalsContact O-N 3.14Å; L287-I291 HydrophobicContact CD1-CD1 4.49Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CD1 3.41Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.04Å; L287-I291 PolarHBondContact O-N 2.98Å; L287-L314 HydrophobicContact CD1-CD1 4.5Å; L287-L314 HydrophobicContact CD2-CB 3.84Å; L287-F315 HydrophobicContact CB-CE1 3.87Å; L287-F315 HydrophobicContact CB-CZ 3.95Å; L287-F315 HydrophobicContact CD2-CD1 3.83Å; L287-F315 HydrophobicContact CD2-CD2 3.83Å; L287-F315 HydrophobicContact CD2-CE1 3.73Å; L287-F315 HydrophobicContact CD2-CE2 3.73Å; L287-F315 HydrophobicContact CD2-CG 3.87Å; L287-F315 HydrophobicContact CD2-CZ 3.66Å; L287-F315 HydrophobicContact CG-CE1 4.04Å; L287-F315 HydrophobicContact CG-CE2 4.13Å; L287-F315 HydrophobicContact CG-CZ 3.75Å; L287-L343 HydrophobicContact CD1-CD1 3.78Å; L287-F347 HydrophobicContact CD1-CD2 4.2Å
288R91.1Very high89.1Confident114 Ų11450 Ų5043%0.4325%0.252SS..Hα-helixtrans-59.5-41.9174.4-76.7-173-71.9-88.9-1112.9A284 Q285 R290 I291 S292 F315A284-R288 WeakPolarHBondContact O-CB 3.25Å; A284-R288 WeakPolarHBondContact O-CG 3.21Å; A284-R288 PolarHBondContact O-N 3.48Å; Q285-R288 PolarHBondContact O-N 3.06Å; R288-R290 VanDerWaalsContact C-N 3.3Å; R288-R290 PolarHBondContact O-N 3.37Å; R288-I291 PolarHBondContact O-N 2.99Å; R288-S292 WeakPolarHBondContact O-CB 3.42Å; R288-S292 PolarHBondContact O-N 3.3Å; R288-F315 HydrophobicContact CG-CE1 4.36Å; R288-F315 HydrophobicContact CG-CZ 3.84Å
289Q91.2Very high89Confident105 Ų10554 Ų5449%0.49127%0.265SS..Hα-helixtrans-61.1-40.6175.6-76174-5.100111.3Q285 L286 L287 S292 F293Q285-Q289 HydrophobicContact CG-CG 4.49Å; Q285-Q289 WeakPolarHBondContact O-CB 3.44Å; Q285-Q289 VanDerWaalsContact O-CG 3.29Å; Q285-Q289 WeakPolarHBondContact O-CG 3.3Å; Q285-Q289 PolarHBondContact O-N 3.31Å; L286-Q289 PolarHBondContact O-N 3.39Å; L287-Q289 VanDerWaalsContact C-N 3.35Å; L287-Q289 PolarHBondContact O-N 3.45Å; Q289-S292 PolarHBondContact O-N 2.94Å; Q289-F293 WeakPolarHBondContact O-CB 3.48Å; Q289-F293 PolarHBondContact O-N 2.86Å
290R93.9Very high89Confident53 Ų5355.3 Ų55.320%0.227%0.269CS..Hα-helixtrans-67.1-43.9176.5-173.565.6173.9169.61.8112.3L286 L287 R288 S292 F293 L294 D342 L343 Y346L286-R290 PolarHBondContact O-N 2.96Å; L287-R290 PolarHBondContact O-N 2.89Å; L287-R290 VanDerWaalsContact O-N 3.14Å; R288-R290 VanDerWaalsContact C-N 3.3Å; R288-R290 PolarHBondContact O-N 3.37Å; R290-S292 VanDerWaalsContact C-N 3.29Å; R290-S292 PolarHBondContact O-N 3.33Å; R290-F293 PolarHBondContact O-N 3.07Å; R290-L294 HydrophobicContact CG-CD1 4.11Å; R290-L294 HydrophobicContact CG-CG 4.49Å; R290-L294 WeakPolarHBondContact O-CG 3.32Å; R290-L294 PolarHBondContact O-N 3.04Å; R290-D342 PolarHBondContact NH2-O 2.95Å; R290-L343 HydrophobicContact CB-CD1 4.12Å; R290-L343 HydrophobicContact CG-CD1 3.57Å; R290-Y346 HydrophobicContact CB-CD1 4.1Å; R290-Y346 HydrophobicContact CB-CE1 3.79Å; R290-Y346 HydrophobicContact CG-CD1 3.51Å; R290-Y346 HydrophobicContact CG-CD2 4.37Å; R290-Y346 HydrophobicContact CG-CE1 3.7Å; R290-Y346 HydrophobicContact CG-CG 3.85Å; R290-Y346 VanDerWaalsContact NE-CG 3.3Å
291I91.8Very high89Confident4 Ų460.3 Ų60.32%0.02129%0.292CS..Hα-helixtrans-56.6-46.2175.2-68.2160.1000110.3L287 R288 L294 Q295 L296 V311 F315 L343L287-I291 HydrophobicContact CD1-CD1 4.49Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CD1 3.41Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.04Å; L287-I291 PolarHBondContact O-N 2.98Å; R288-I291 PolarHBondContact O-N 2.99Å; I291-L294 PolarHBondContact O-N 3.02Å; I291-Q295 PolarHBondContact O-N 3.1Å; I291-L296 HydrophobicContact CG2-CB 3.88Å; I291-L296 PolarHBondContact O-N 3.23Å; I291-V311 HydrophobicContact CD1-CG1 3.43Å; I291-V311 VanDerWaalsContact CD1-CG1 3.43Å; I291-V311 HydrophobicContact CG1-CG1 4.35Å; I291-F315 HydrophobicContact CD1-CE2 4.08Å; I291-F315 HydrophobicContact CD1-CZ 4.16Å; I291-L343 HydrophobicContact CG1-CD1 4.36Å; I291-L343 HydrophobicContact CG1-CD2 4.16Å
292S92.6Very high89.3Confident72 Ų7263.2 Ų63.250%0.50331%0.309SS..Hα-helixtrans-64.7-43.5177.2178.70000112.3R288 Q289 R290 L294 Q295 T297R288-S292 WeakPolarHBondContact O-CB 3.42Å; R288-S292 PolarHBondContact O-N 3.3Å; Q289-S292 PolarHBondContact O-N 2.94Å; R290-S292 VanDerWaalsContact C-N 3.29Å; R290-S292 PolarHBondContact O-N 3.33Å; S292-L294 VanDerWaalsContact C-N 3.28Å; S292-L294 PolarHBondContact O-N 2.94Å; S292-Q295 PolarHBondContact O-N 2.97Å; S292-T297 WeakPolarHBondContact CA-OG1 3.29Å
293F93.7Very high88.7Confident149 Ų14970 Ų7065%0.65434%0.344SS*.Hα-helixtrans-59.9-38.5176.9176.6-92.9000112.5Q289 R290 Q295Q289-F293 WeakPolarHBondContact O-CB 3.48Å; Q289-F293 PolarHBondContact O-N 2.86Å; R290-F293 PolarHBondContact O-N 3.07Å; F293-Q295 PolarHBondContact O-N 3.34Å
294L93.5Very high87.8Confident37 Ų3779.2 Ų79.219%0.19439%0.387CS..THydrogen-bonded Turntrans-81.65175.7-63.2176.6000113.2R290 I291 S292 L296 D342 L343R290-L294 HydrophobicContact CG-CD1 4.11Å; R290-L294 HydrophobicContact CG-CG 4.49Å; R290-L294 WeakPolarHBondContact O-CG 3.32Å; R290-L294 PolarHBondContact O-N 3.04Å; I291-L294 PolarHBondContact O-N 3.02Å; S292-L294 VanDerWaalsContact C-N 3.28Å; S292-L294 PolarHBondContact O-N 2.94Å; L294-L296 HydrophobicContact CB-CD1 3.91Å; L294-L296 HydrophobicContact CB-CG 3.93Å; L294-L296 HydrophobicContact CD1-CD1 4.15Å; L294-L296 PolarHBondContact O-N 3.36Å; L294-D342 HydrophobicContact CD1-CB 4Å; L294-D342 HydrophobicContact CD2-CB 3.94Å; L294-L343 HydrophobicContact CD1-CB 3.82Å; L294-L343 HydrophobicContact CD1-CD1 4.26Å
295Q92.3Very high87.4Confident167 Ų16779.8 Ų79.878%0.7839%0.39SS*.THydrogen-bonded Turntrans5926.5-179.3-54.2-179.3-12.300113.9I291 S292 F293I291-Q295 PolarHBondContact O-N 3.1Å; S292-Q295 PolarHBondContact O-N 2.97Å; F293-Q295 PolarHBondContact O-N 3.34Å
296L90.3Very high87.3Confident11 Ų1179 Ų796%0.05839%0.393CS..  trans-87.6-6.9-178.5-67174.2000113.4I291 L294 S298 R299 Y300 I307 L340 L343I291-L296 HydrophobicContact CG2-CB 3.88Å; I291-L296 PolarHBondContact O-N 3.23Å; L294-L296 HydrophobicContact CB-CD1 3.91Å; L294-L296 HydrophobicContact CB-CG 3.93Å; L294-L296 HydrophobicContact CD1-CD1 4.15Å; L294-L296 PolarHBondContact O-N 3.36Å; L296-S298 PolarHBondContact O-N 3.22Å; L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.16Å; L296-Y300 WeakPolarHBondContact O-CB 3.01Å; L296-Y300 PolarHBondContact O-N 2.76Å; L296-I307 HydrophobicContact CD2-CD1 4.48Å; L296-L340 HydrophobicContact CD1-CD2 3.74Å; L296-L343 HydrophobicContact CD1-CB 4.49Å; L296-L343 HydrophobicContact CD1-CD2 4.37Å
297T88.3Confident87.1Confident50 Ų5077.4 Ų77.431%0.30738%0.384SS..Hα-helixtrans-52.5-50.4-174.3-590000113.1S292 R299 Y300 E301S292-T297 WeakPolarHBondContact CA-OG1 3.29Å; T297-R299 VanDerWaalsContact C-N 3.32Å; T297-R299 PolarHBondContact O-N 2.85Å; T297-Y300 WeakPolarHBondContact O-CB 3.27Å; T297-Y300 PolarHBondContact O-N 3.24Å; T297-E301 WeakPolarHBondContact CG2-OE1 3.15Å; T297-E301 WeakPolarHBondContact O-CG 3.41Å; T297-E301 PolarHBondContact O-N 3.26Å
298S86.6Confident87.1Confident78 Ų7879.9 Ų79.955%0.54539%0.394SS..Hα-helixtrans-63.5-36.6-177.854.60000112.7L296L296-S298 PolarHBondContact O-N 3.22Å
299R85.1Confident87Confident89 Ų8979.4 Ų79.434%0.33639%0.394SS..Hα-helixtrans-74.9-35.1177.2-65.8178.270.3-174.60.7112.2L296 T297 E301 L302 S305 I307 E337 D339L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.16Å; T297-R299 VanDerWaalsContact C-N 3.32Å; T297-R299 PolarHBondContact O-N 2.85Å; R299-E301 VanDerWaalsContact C-N 3.31Å; R299-L302 PolarHBondContact O-N 3.43Å; R299-S305 WeakPolarHBondContact O-CB 3.22Å; R299-S305 PolarHBondContact O-OG 2.9Å; R299-I307 HydrophobicContact CB-CD1 4.07Å; R299-I307 HydrophobicContact CB-CG2 4.42Å; R299-E337 IonicContact NH2-OE2 3.47Å; R299-D339 IonicContact CZ-OD2 3.75Å; R299-D339 IonicContact NH1-OD2 3.89Å; R299-D339 PolarHBondContact NH1-OD2 3.07Å; R299-D339 IonicContact NH2-OD2 3.14Å; R299-D339 PolarHBondContact NH2-OD2 3.33Å
300Y85.1Confident87.1Confident41 Ų4174.6 Ų74.616%0.16137%0.373CS..Hα-helixtrans-64.3-35.6173.5172-110.1000112L296 T297 L302 R308 V311 E479L296-Y300 WeakPolarHBondContact O-CB 3.01Å; L296-Y300 PolarHBondContact O-N 2.76Å; T297-Y300 WeakPolarHBondContact O-CB 3.27Å; T297-Y300 PolarHBondContact O-N 3.24Å; Y300-L302 VanDerWaalsContact C-N 3.28Å; Y300-L302 PolarHBondContact O-N 3.48Å; Y300-R308 HydrophobicContact CD2-CB 4.37Å; Y300-R308 HydrophobicContact CD2-CG 4.24Å; Y300-R308 HydrophobicContact CE2-CG 4.06Å; Y300-R308 WeakPolarHBondContact O-CB 3.14Å; Y300-R308 WeakPolarHBondContact O-CG 3.45Å; Y300-V311 HydrophobicContact CD2-CB 3.7Å; Y300-V311 HydrophobicContact CD2-CG1 3.48Å; Y300-V311 VanDerWaalsContact CD2-CG1 3.48Å; Y300-V311 HydrophobicContact CD2-CG2 4.27Å; Y300-V311 HydrophobicContact CE2-CB 3.84Å; Y300-V311 HydrophobicContact CE2-CG1 3.4Å; Y300-V311 VanDerWaalsContact CE2-CG1 3.4Å; Y300-V311 HydrophobicContact CG-CG1 4.36Å; Y300-E479 PolarHBondContact OH-OE1 2.79Å
301E85.3Confident87Confident125 Ų12572.1 Ų72.158%0.58436%0.363SS*.Hα-helixtrans-71.2-20.5179-74170.1177.500113.4T297 R299 L303 R308T297-E301 WeakPolarHBondContact CG2-OE1 3.15Å; T297-E301 WeakPolarHBondContact O-CG 3.41Å; T297-E301 PolarHBondContact O-N 3.26Å; R299-E301 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 2.96Å; E301-R308 PolarHBondContact O-NH1 3.41Å
302L84.4Confident87.1Confident108 Ų10872.3 Ų72.357%0.56537%0.365SS*.SBendtrans-67.1118.5175-63.7173.7000110.9R299 Y300 E304 S305R299-L302 PolarHBondContact O-N 3.43Å; Y300-L302 VanDerWaalsContact C-N 3.28Å; Y300-L302 PolarHBondContact O-N 3.48Å; L302-E304 PolarHBondContact O-N 3.27Å; L302-E304 VanDerWaalsContact O-N 3.11Å; L302-S305 PolarHBondContact O-N 3.42Å; L302-S305 PolarHBondContact O-OG 3Å
303L70.5Confident87.2Confident149 Ų14969.1 Ų69.178%0.7834%0.342SS*.THydrogen-bonded Turntrans-56.6-30.2-172.3-77160.8000114.5E301E301-L303 PolarHBondContact O-N 2.96Å
304E71.4Confident87.3Confident196 Ų19662 Ų6292%0.91631%0.311SS*.THydrogen-bonded Turntrans-111.817.7-174.8-60.8-168.616300113.7L302L302-E304 PolarHBondContact O-N 3.27Å; L302-E304 VanDerWaalsContact O-N 3.11Å
305S80.7Confident87.3Confident24 Ų2461.1 Ų61.117%0.16831%0.305CS..  trans-79.9135.4176.876.10000111.7R299 L302 I307 R308 K309R299-S305 WeakPolarHBondContact O-CB 3.22Å; R299-S305 PolarHBondContact O-OG 2.9Å; L302-S305 PolarHBondContact O-N 3.42Å; L302-S305 PolarHBondContact O-OG 3Å; S305-I307 PolarHBondContact O-N 2.96Å; S305-R308 WeakPolarHBondContact O-CB 3.41Å; S305-R308 PolarHBondContact O-N 3.21Å; S305-R308 WeakPolarHBondContact OG-CB 3.38Å; S305-R308 PolarHBondContact OG-N 2.91Å; S305-K309 PolarHBondContact O-N 2.79Å; S305-K309 VanDerWaalsContact O-N 3.14Å
306S84.3Confident87.5Confident53 Ų5353.1 Ų53.137%0.37127%0.268SS..Hα-helixtrans-48.3-37.8162.5460000112K309 C310 E337S306-K309 WeakPolarHBondContact O-CB 3.13Å; S306-K309 PolarHBondContact O-N 3.21Å; S306-C310 PolarHBondContact O-N 3.43Å; S306-E337 WeakPolarHBondContact CB-OE1 3.31Å; S306-E337 PolarHBondContact OG-OE1 3.22Å; S306-E337 PolarHBondContact OG-OE2 2.85Å
307I86.6Confident87.8Confident1 Ų152.6 Ų52.61%0.00527%0.266CS..Hα-helixtrans-58.3-49.9173.6-74.2178.1000111.9L296 R299 S305 K309 C310 V311 L340L296-I307 HydrophobicContact CD2-CD1 4.48Å; R299-I307 HydrophobicContact CB-CD1 4.07Å; R299-I307 HydrophobicContact CB-CG2 4.42Å; S305-I307 PolarHBondContact O-N 2.96Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 3.05Å; I307-C310 PolarHBondContact O-N 3.33Å; I307-V311 HydrophobicContact CG2-CG2 4.22Å; I307-V311 WeakPolarHBondContact O-CB 3.5Å; I307-V311 VanDerWaalsContact O-CG2 3.23Å; I307-V311 WeakPolarHBondContact O-CG2 3.39Å; I307-V311 PolarHBondContact O-N 3.05Å; I307-L340 HydrophobicContact CD1-CD2 4.39Å; I307-L340 HydrophobicContact CG1-CD1 4.17Å; I307-L340 HydrophobicContact CG1-CD2 4.02Å; I307-L340 HydrophobicContact CG1-CG 4.08Å; I307-L340 HydrophobicContact CG2-CD2 4.1Å
308R90.2Very high88.1Confident52 Ų5250.2 Ų50.220%0.19625%0.251CS..Hα-helixtrans-54.6-54.1175.8-175.8-178.2-179.1119.9-1.6109.2Y300 E301 S305 C310 V311 S312 E479Y300-R308 HydrophobicContact CD2-CB 4.37Å; Y300-R308 HydrophobicContact CD2-CG 4.24Å; Y300-R308 HydrophobicContact CE2-CG 4.06Å; Y300-R308 WeakPolarHBondContact O-CB 3.14Å; Y300-R308 WeakPolarHBondContact O-CG 3.45Å; E301-R308 PolarHBondContact O-NH1 3.41Å; S305-R308 WeakPolarHBondContact O-CB 3.41Å; S305-R308 PolarHBondContact O-N 3.21Å; S305-R308 WeakPolarHBondContact OG-CB 3.38Å; S305-R308 PolarHBondContact OG-N 2.91Å; R308-C310 PolarHBondContact O-N 2.81Å; R308-V311 PolarHBondContact O-N 2.79Å; R308-S312 VanDerWaalsContact O-CB 3.25Å; R308-S312 WeakPolarHBondContact O-CB 3.37Å; R308-S312 PolarHBondContact O-N 2.86Å; R308-S312 PolarHBondContact O-OG 2.91Å; R308-E479 IonicContact CZ-OE2 3.33Å; R308-E479 IonicContact NE-OE1 3.49Å; R308-E479 IonicContact NE-OE2 3.88Å; R308-E479 PolarHBondContact NE-OE2 3.34Å; R308-E479 IonicContact NH2-OE2 3.79Å; R308-E479 PolarHBondContact NH2-OE2 3.26Å
309K90.2Very high88.5Confident103 Ų10346.5 Ų46.545%0.44823%0.225SC..Hα-helixtrans-52.5-51.4-179.9-171.6-176177.5-171.30112.3S305 S306 I307 S312 M313S305-K309 PolarHBondContact O-N 2.79Å; S305-K309 VanDerWaalsContact O-N 3.14Å; S306-K309 WeakPolarHBondContact O-CB 3.13Å; S306-K309 PolarHBondContact O-N 3.21Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 3.05Å; K309-S312 PolarHBondContact O-N 3.48Å; K309-M313 HydrophobicContact CG-CE 4.41Å; K309-M313 WeakPolarHBondContact O-CG 3.41Å; K309-M313 PolarHBondContact O-N 3.09Å
310C92.3Very high89.1Confident5 Ų542.3 Ų42.33%0.03421%0.209CC..Hα-helixtrans-61.3-48.2-179.5-173.10000112S306 I307 R308 S312 M313 L314 I332 L340S306-C310 PolarHBondContact O-N 3.43Å; I307-C310 PolarHBondContact O-N 3.33Å; R308-C310 PolarHBondContact O-N 2.81Å; C310-S312 PolarHBondContact O-N 3.21Å; C310-M313 PolarHBondContact O-N 3.13Å; C310-L314 PolarHBondContact O-N 2.9Å; C310-L314 VanDerWaalsContact O-N 3.13Å; C310-I332 WeakPolarHBondContact SG-CG2 3.39Å; C310-L340 HydrophobicContact CB-CD1 3.51Å; C310-L340 VanDerWaalsContact SG-CD1 3.57Å
311V92.6Very high89.6Confident0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-63.4-42.8179.3170.30000111.5I291 Y300 I307 R308 M313 L314 F315 L340 L343I291-V311 HydrophobicContact CD1-CG1 3.43Å; I291-V311 VanDerWaalsContact CD1-CG1 3.43Å; I291-V311 HydrophobicContact CG1-CG1 4.35Å; Y300-V311 HydrophobicContact CD2-CB 3.7Å; Y300-V311 HydrophobicContact CD2-CG1 3.48Å; Y300-V311 VanDerWaalsContact CD2-CG1 3.48Å; Y300-V311 HydrophobicContact CD2-CG2 4.27Å; Y300-V311 HydrophobicContact CE2-CB 3.84Å; Y300-V311 HydrophobicContact CE2-CG1 3.4Å; Y300-V311 VanDerWaalsContact CE2-CG1 3.4Å; Y300-V311 HydrophobicContact CG-CG1 4.36Å; I307-V311 HydrophobicContact CG2-CG2 4.22Å; I307-V311 WeakPolarHBondContact O-CB 3.5Å; I307-V311 VanDerWaalsContact O-CG2 3.23Å; I307-V311 WeakPolarHBondContact O-CG2 3.39Å; I307-V311 PolarHBondContact O-N 3.05Å; R308-V311 PolarHBondContact O-N 2.79Å; V311-M313 VanDerWaalsContact C-N 3.28Å; V311-M313 PolarHBondContact O-N 3.35Å; V311-L314 WeakPolarHBondContact O-CB 3.26Å; V311-L314 PolarHBondContact O-N 3.43Å; V311-L314 VanDerWaalsContact O-N 3.09Å; V311-F315 HydrophobicContact CG1-CD2 4Å; V311-F315 HydrophobicContact CG1-CE2 3.58Å; V311-F315 VanDerWaalsContact O-CD2 3.23Å; V311-F315 WeakPolarHBondContact O-CD2 3.22Å; V311-F315 PolarHBondContact O-N 3.38Å; V311-F315 VanDerWaalsContact O-N 3.15Å; V311-L340 HydrophobicContact CG2-CD2 4.47Å; V311-L343 HydrophobicContact CG2-CD2 3.72Å
312S93.1Very high90.1Very high9 Ų937.8 Ų37.86%0.06319%0.192CC..Hα-helixtrans-59.3-40.3176.2-590000111.2R308 K309 C310 L314 F315 A316 A475 E479R308-S312 VanDerWaalsContact O-CB 3.25Å; R308-S312 WeakPolarHBondContact O-CB 3.37Å; R308-S312 PolarHBondContact O-N 2.86Å; R308-S312 PolarHBondContact O-OG 2.91Å; K309-S312 PolarHBondContact O-N 3.48Å; C310-S312 PolarHBondContact O-N 3.21Å; S312-L314 PolarHBondContact O-N 3.48Å; S312-F315 PolarHBondContact O-N 3.44Å; S312-A316 PolarHBondContact O-N 3.35Å; S312-A475 WeakPolarHBondContact O-CB 3.03Å; S312-E479 WeakPolarHBondContact CB-OE1 3.29Å; S312-E479 PolarHBondContact OG-OE1 2.98Å
313M95Very high90.6Very high4 Ų440.1 Ų40.12%0.0220%0.2CC..Hα-helixtrans-64.6-36.8174.1-69-170.4-63.100112.6K309 C310 V311 F315 A316 L317 I332 D468 L471K309-M313 HydrophobicContact CG-CE 4.41Å; K309-M313 WeakPolarHBondContact O-CG 3.41Å; K309-M313 PolarHBondContact O-N 3.09Å; C310-M313 PolarHBondContact O-N 3.13Å; V311-M313 VanDerWaalsContact C-N 3.28Å; V311-M313 PolarHBondContact O-N 3.35Å; M313-F315 VanDerWaalsContact C-N 3.33Å; M313-F315 PolarHBondContact O-N 3.23Å; M313-A316 WeakPolarHBondContact O-CA 3.46Å; M313-A316 WeakPolarHBondContact O-CB 3.31Å; M313-A316 PolarHBondContact O-N 2.77Å; M313-L317 PolarHBondContact O-N 2.97Å; M313-L317 VanDerWaalsContact O-N 3.15Å; M313-I332 HydrophobicContact CB-CD1 3.77Å; M313-I332 HydrophobicContact CB-CG1 3.9Å; M313-I332 HydrophobicContact CE-CG1 4.19Å; M313-I332 HydrophobicContact CE-CG2 4.39Å; M313-I332 HydrophobicContact SD-CG1 4.41Å; M313-D468 HydrophobicContact SD-CB 4.34Å; M313-L471 HydrophobicContact CB-CB 4.02Å; M313-L471 HydrophobicContact CB-CD1 4.27Å; M313-L471 HydrophobicContact CG-CB 3.71Å; M313-L471 HydrophobicContact CG-CD1 4.45Å; M313-L471 HydrophobicContact SD-CB 4.18Å; M313-L471 HydrophobicContact SD-CD1 4.29Å
314L95.6Very high91.9Very high0 Ų033.9 Ų33.90%017%0.167CC..Hα-helixtrans-61.2-39.7173.3-65.5174.5000112L287 C310 V311 S312 A316 L317 F329 I332 L343 I344 F347L287-L314 HydrophobicContact CD1-CD1 4.5Å; L287-L314 HydrophobicContact CD2-CB 3.84Å; C310-L314 PolarHBondContact O-N 2.9Å; C310-L314 VanDerWaalsContact O-N 3.13Å; V311-L314 WeakPolarHBondContact O-CB 3.26Å; V311-L314 PolarHBondContact O-N 3.43Å; V311-L314 VanDerWaalsContact O-N 3.09Å; S312-L314 PolarHBondContact O-N 3.48Å; L314-A316 PolarHBondContact O-N 2.83Å; L314-L317 HydrophobicContact CD2-CD1 3.85Å; L314-L317 PolarHBondContact O-N 2.82Å; L314-F329 HydrophobicContact CD2-CD2 4.25Å; L314-F329 HydrophobicContact CD2-CE2 4.21Å; L314-I332 HydrophobicContact CD2-CD1 4.23Å; L314-I332 HydrophobicContact CD2-CG2 3.89Å; L314-I332 HydrophobicContact CG-CG2 4.19Å; L314-L343 HydrophobicContact CD1-CD2 4.13Å; L314-L343 HydrophobicContact CD1-CG 4.26Å; L314-I344 HydrophobicContact CD1-CD1 4.23Å; L314-I344 HydrophobicContact CD2-CD1 4.31Å; L314-F347 HydrophobicContact CB-CD2 4.45Å; L314-F347 HydrophobicContact CB-CE2 4.26Å; L314-F347 HydrophobicContact CD1-CD2 4.45Å; L314-F347 HydrophobicContact CD2-CD1 4.16Å; L314-F347 HydrophobicContact CD2-CD2 4.26Å; L314-F347 HydrophobicContact CD2-CE1 4.36Å; L314-F347 HydrophobicContact CD2-CE2 4.45Å; L314-F347 HydrophobicContact CD2-CG 4.11Å
315F94.2Very high93.1Very high18 Ų1824.6 Ų24.68%0.07912%0.124CC..Hα-helixtrans-64.5-24173-75.4-75.2000113.2A284 L287 R288 I291 V311 S312 M313 P318 L478A284-F315 HydrophobicContact CB-CD1 3.87Å; A284-F315 HydrophobicContact CB-CE1 3.67Å; A284-F315 WeakPolarHBondContact O-CE1 3.26Å; L287-F315 HydrophobicContact CB-CE1 3.87Å; L287-F315 HydrophobicContact CB-CZ 3.95Å; L287-F315 HydrophobicContact CD2-CD1 3.83Å; L287-F315 HydrophobicContact CD2-CD2 3.83Å; L287-F315 HydrophobicContact CD2-CE1 3.73Å; L287-F315 HydrophobicContact CD2-CE2 3.73Å; L287-F315 HydrophobicContact CD2-CG 3.87Å; L287-F315 HydrophobicContact CD2-CZ 3.66Å; L287-F315 HydrophobicContact CG-CE1 4.04Å; L287-F315 HydrophobicContact CG-CE2 4.13Å; L287-F315 HydrophobicContact CG-CZ 3.75Å; R288-F315 HydrophobicContact CG-CE1 4.36Å; R288-F315 HydrophobicContact CG-CZ 3.84Å; I291-F315 HydrophobicContact CD1-CE2 4.08Å; I291-F315 HydrophobicContact CD1-CZ 4.16Å; V311-F315 HydrophobicContact CG1-CD2 4Å; V311-F315 HydrophobicContact CG1-CE2 3.58Å; V311-F315 VanDerWaalsContact O-CD2 3.23Å; V311-F315 WeakPolarHBondContact O-CD2 3.22Å; V311-F315 PolarHBondContact O-N 3.38Å; V311-F315 VanDerWaalsContact O-N 3.15Å; S312-F315 PolarHBondContact O-N 3.44Å; M313-F315 VanDerWaalsContact C-N 3.33Å; M313-F315 PolarHBondContact O-N 3.23Å; F315-P318 WeakPolarHBondContact O-CD 3.26Å; F315-L478 HydrophobicContact CB-CD1 4.45Å; F315-L478 WeakPolarHBondContact O-CD1 3Å
316A95.5Very high93.8Very high0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-88.4-14.6-179.900000114.1S312 M313 L314 P318 F319 L471 I474 A475S312-A316 PolarHBondContact O-N 3.35Å; M313-A316 WeakPolarHBondContact O-CA 3.46Å; M313-A316 WeakPolarHBondContact O-CB 3.31Å; M313-A316 PolarHBondContact O-N 2.77Å; L314-A316 PolarHBondContact O-N 2.83Å; A316-P318 VanDerWaalsContact C-N 3.31Å; A316-F319 WeakPolarHBondContact O-CB 3.31Å; A316-F319 WeakPolarHBondContact O-CD2 3.35Å; A316-F319 PolarHBondContact O-N 3.37Å; A316-L471 HydrophobicContact CB-CB 4.2Å; A316-L471 HydrophobicContact CB-CD2 3.85Å; A316-L471 VanDerWaalsContact CB-O 3.24Å; A316-L471 WeakPolarHBondContact CB-O 3.29Å; A316-I474 HydrophobicContact CB-CB 3.9Å; A316-I474 HydrophobicContact CB-CG2 3.58Å; A316-A475 HydrophobicContact CB-CB 4.21Å
317L96.6Very high94.4Very high0 Ų026.9 Ų26.90%013%0.132CC..G310 helixtrans-52.8-35.5178.6-78.2174.8000115.2M313 L314 F319 V320 A328 F329 I332 F347 W373 L471M313-L317 PolarHBondContact O-N 2.97Å; M313-L317 VanDerWaalsContact O-N 3.15Å; L314-L317 HydrophobicContact CD2-CD1 3.85Å; L314-L317 PolarHBondContact O-N 2.82Å; L317-F319 PolarHBondContact O-N 3.35Å; L317-V320 HydrophobicContact CD2-CG2 4.39Å; L317-V320 PolarHBondContact O-N 2.65Å; L317-A328 HydrophobicContact CD2-CB 3.92Å; L317-F329 HydrophobicContact CD1-CB 4.38Å; L317-F329 HydrophobicContact CD1-CD2 4.02Å; L317-I332 HydrophobicContact CD1-CD1 3.91Å; L317-I332 HydrophobicContact CD2-CD1 3.69Å; L317-I332 HydrophobicContact CG-CD1 3.74Å; L317-F347 HydrophobicContact CD1-CD1 4.36Å; L317-F347 HydrophobicContact CD1-CE1 3.44Å; L317-F347 VanDerWaalsContact CD1-CE1 3.44Å; L317-F347 HydrophobicContact CD1-CZ 3.6Å; L317-W373 HydrophobicContact CB-CH2 4.21Å; L317-W373 HydrophobicContact CB-CZ3 4.1Å; L317-L471 HydrophobicContact CD2-CD2 4.37Å
318P95Very high94.9Very high0 Ų026.8 Ų26.80%013%0.132CC..G310 helixtrans-56.6-17.7175.4-27.536.3000114.2L280 F283 F315 A316 W373 N374 C375 Y376L280-P318 HydrophobicContact CD1-CB 3.88Å; L280-P318 HydrophobicContact CD1-CG 3.73Å; F283-P318 HydrophobicContact CD1-CG 4Å; F283-P318 HydrophobicContact CE1-CG 3.61Å; F283-P318 HydrophobicContact CE2-CG 4.42Å; F283-P318 HydrophobicContact CZ-CG 3.83Å; F315-P318 WeakPolarHBondContact O-CD 3.26Å; A316-P318 VanDerWaalsContact C-N 3.31Å; P318-W373 HydrophobicContact CB-CE3 4.06Å; P318-W373 HydrophobicContact CB-CZ3 4.31Å; P318-W373 HydrophobicContact CG-CE3 3.83Å; P318-W373 HydrophobicContact CG-CZ3 4.03Å; P318-N374 PolarHBondContact O-ND2 2.91Å; P318-C375 HydrophobicContact CB-CB 4.34Å; P318-C375 CarbonylContact O-C 3.46Å; P318-C375 WeakPolarHBondContact O-CA 3.42Å; P318-C375 PolarHBondContact O-N 3.35Å; P318-Y376 PolarHBondContact O-N 3Å; P318-Y376 VanDerWaalsContact O-N 3.15Å
319F95Very high95.2Very high0 Ų024.4 Ų24.40%012%0.123CC..G310 helixtrans-99.712.9-178.2-56.9-89.6000113.1L280 A316 L317 Y376 V379 Y384 I451 V455 Y470 I474 L478L280-F319 HydrophobicContact CD1-CE2 4.36Å; L280-F319 HydrophobicContact CD2-CE2 3.98Å; L280-F319 HydrophobicContact CD2-CZ 3.55Å; A316-F319 WeakPolarHBondContact O-CB 3.31Å; A316-F319 WeakPolarHBondContact O-CD2 3.35Å; A316-F319 PolarHBondContact O-N 3.37Å; L317-F319 PolarHBondContact O-N 3.35Å; F319-Y376 VanDerWaalsContact O-CD2 3.3Å; F319-Y376 WeakPolarHBondContact O-CD2 3.45Å; F319-V379 HydrophobicContact CD1-CG2 3.75Å; F319-V379 HydrophobicContact CE1-CG2 3.62Å; F319-Y384 HydrophobicContact CE1-CE1 4.07Å; F319-Y384 HydrophobicContact CE1-CE2 4.33Å; F319-Y384 AromaticContact CE1-CZ 3.73Å; F319-Y384 HydrophobicContact CZ-CE2 4.47Å; F319-Y384 AromaticContact CZ-CZ 3.91Å; F319-Y384 VanDerWaalsContact CZ-OH 3.29Å; F319-Y384 WeakPolarHBondContact CZ-OH 3.4Å; F319-I451 HydrophobicContact CD1-CG2 3.61Å; F319-I451 HydrophobicContact CE1-CG2 3.51Å; F319-I451 HydrophobicContact CZ-CG2 4.38Å; F319-V455 HydrophobicContact CB-CG2 4.24Å; F319-V455 HydrophobicContact CD1-CG2 4.15Å; F319-Y470 PolarHBondContact O-OH 3.42Å; F319-I474 HydrophobicContact CB-CD1 4.24Å; F319-I474 HydrophobicContact CB-CG1 4.4Å; F319-I474 HydrophobicContact CB-CG2 3.99Å; F319-I474 HydrophobicContact CD2-CG2 3.54Å; F319-I474 HydrophobicContact CE2-CG2 4.18Å; F319-I474 HydrophobicContact CG-CG2 3.79Å; F319-L478 HydrophobicContact CD2-CD1 4.3Å; F319-L478 HydrophobicContact CE2-CD1 3.68Å; F319-L478 HydrophobicContact CE2-CD2 3.94Å; F319-L478 HydrophobicContact CE2-CG 4.35Å; F319-L478 HydrophobicContact CZ-CD1 4.46Å; F319-L478 HydrophobicContact CZ-CD2 3.89Å
320V96.7Very high95.5Very high0 Ų023.2 Ų23.20%012%0.119CC..SBendtrans-93.2145.9172.7178.80000108.9L317 D324 V325 A328 N374 Y376 Y458 Y470 L471L317-V320 HydrophobicContact CD2-CG2 4.39Å; L317-V320 PolarHBondContact O-N 2.65Å; V320-D324 HydrophobicContact CG1-CB 3.65Å; V320-V325 HydrophobicContact CB-CG2 4.4Å; V320-A328 HydrophobicContact CG1-CB 3.95Å; V320-A328 HydrophobicContact CG2-CB 4.1Å; V320-N374 PolarHBondContact O-ND2 2.77Å; V320-Y376 VanDerWaalsContact O-CB 3.32Å; V320-Y376 WeakPolarHBondContact O-CB 3.3Å; V320-Y458 HydrophobicContact CG1-CE2 3.95Å; V320-Y458 HydrophobicContact CG2-CE2 4.49Å; V320-Y470 HydrophobicContact CG2-CE1 4.2Å; V320-L471 HydrophobicContact CG2-CD2 3.65Å
321P96.1Very high95.5Very high4 Ų426.1 Ų26.13%0.02613%0.132CC..  trans-51143.6168.6-25.935.3000111.3E323 D324 V325 Y376 Y458P321-E323 VanDerWaalsContact C-N 3.25Å; P321-E323 HydrophobicContact CB-CG 4.18Å; P321-E323 PolarHBondContact O-N 3.4Å; P321-D324 HydrophobicContact CB-CB 4.42Å; P321-D324 PolarHBondContact O-N 3.26Å; P321-V325 PolarHBondContact O-N 3.45Å; P321-Y376 HydrophobicContact CB-CD1 4.31Å; P321-Y376 HydrophobicContact CB-CE1 4.29Å; P321-Y376 HydrophobicContact CG-CD1 4.24Å; P321-Y376 HydrophobicContact CG-CD2 4.03Å; P321-Y376 HydrophobicContact CG-CE1 3.93Å; P321-Y376 HydrophobicContact CG-CE2 3.71Å; P321-Y376 HydrophobicContact CG-CG 4.3Å; P321-Y458 HydrophobicContact CB-CE1 4.42Å; P321-Y458 HydrophobicContact CG-CD1 3.27Å; P321-Y458 HydrophobicContact CG-CE1 3.28Å; P321-Y458 HydrophobicContact CG-CG 3.94Å
322L95.6Very high95.7Very high68 Ų6826.1 Ų26.136%0.35613%0.132SC..G310 helixtrans-57.8-41.8-170.6-177.367.4000111.9D324 V325 P370 E371 N374L322-D324 PolarHBondContact O-N 2.79Å; L322-V325 PolarHBondContact O-N 3.06Å; L322-P370 HydrophobicContact CD1-CB 3.57Å; L322-E371 HydrophobicContact CD1-CG 4.35Å; L322-E371 HydrophobicContact CD2-CG 3.93Å; L322-N374 HydrophobicContact CD1-CB 4.07Å
323E95.8Very high95.7Very high157 Ų15726.8 Ų26.873%0.73414%0.138SC*.G310 helixtrans-61.8-22.4177.858.6-91.7-144.400114.2P321P321-E323 VanDerWaalsContact C-N 3.25Å; P321-E323 HydrophobicContact CB-CG 4.18Å; P321-E323 PolarHBondContact O-N 3.4Å
324D97.2Very high95.7Very high17 Ų1734 Ų349%0.09117%0.172CC..G310 helixtrans-106.1-3-174.1-70.2-5.4000112.7V320 P321 L322 G326 E327 A328 Y458 K462V320-D324 HydrophobicContact CG1-CB 3.65Å; P321-D324 HydrophobicContact CB-CB 4.42Å; P321-D324 PolarHBondContact O-N 3.26Å; L322-D324 PolarHBondContact O-N 2.79Å; D324-G326 VanDerWaalsContact C-N 3.28Å; D324-G326 PolarHBondContact O-N 2.82Å; D324-E327 PolarHBondContact O-N 2.91Å; D324-A328 WeakPolarHBondContact O-CB 3.26Å; D324-A328 PolarHBondContact O-N 3.02Å; D324-Y458 WeakPolarHBondContact CB-OH 3.5Å; D324-Y458 WeakPolarHBondContact OD2-CE1 3.3Å; D324-Y458 VanDerWaalsContact OD2-CZ 3.3Å; D324-Y458 PolarHBondContact OD2-OH 3.26Å; D324-K462 IonicContact OD1-NZ 3.89Å; D324-K462 PolarHBondContact OD1-NZ 3.07Å; D324-K462 WeakPolarHBondContact OD2-CD 3.17Å; D324-K462 IonicContact OD2-NZ 3.94Å; D324-K462 PolarHBondContact OD2-NZ 2.87Å
325V97.3Very high95.4Very high2 Ų237.8 Ų37.81%0.01220%0.195CC..Hα-helixtrans-57.8-42.4-177.9168.30000111.5V320 P321 L322 F329 P370 W373V320-V325 HydrophobicContact CB-CG2 4.4Å; P321-V325 PolarHBondContact O-N 3.45Å; L322-V325 PolarHBondContact O-N 3.06Å; V325-F329 VanDerWaalsContact O-CB 3.27Å; V325-F329 WeakPolarHBondContact O-CB 3.34Å; V325-F329 PolarHBondContact O-N 2.89Å; V325-P370 HydrophobicContact CG1-CB 4.26Å; V325-P370 HydrophobicContact CG1-CG 4.18Å; V325-W373 HydrophobicContact CG1-CH2 3.53Å; V325-W373 HydrophobicContact CG1-CZ2 3.96Å; V325-W373 HydrophobicContact CG2-CH2 4.41Å
326G96.1Very high95.3Very high24 Ų2437.9 Ų37.925%0.24720%0.199CC..Hα-helixtrans-62.2-51.5177.600000111.8D324 A328 F329 E330D324-G326 VanDerWaalsContact C-N 3.28Å; D324-G326 PolarHBondContact O-N 2.82Å; G326-A328 PolarHBondContact O-N 2.97Å; G326-F329 PolarHBondContact O-N 2.85Å; G326-E330 WeakPolarHBondContact O-CG 3.39Å; G326-E330 PolarHBondContact O-N 2.79Å
327E95.5Very high95Very high100 Ų10041.7 Ų41.747%0.46722%0.217SC..Hα-helixtrans-57.5-45.8177.6-176.3-171.3162.100111.8D324 H331 K462D324-E327 PolarHBondContact O-N 2.91Å; E327-H331 PolarHBondContact O-N 3.41Å; E327-K462 VanDerWaalsContact OE2-CE 3.28Å; E327-K462 WeakPolarHBondContact OE2-CE 3.28Å; E327-K462 IonicContact OE2-NZ 3.67Å; E327-K462 PolarHBondContact OE2-NZ 2.77Å
328A96.9Very high94.7Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-67.5-35.5178.900000112.5L317 V320 D324 G326 I332 I467L317-A328 HydrophobicContact CD2-CB 3.92Å; V320-A328 HydrophobicContact CG1-CB 3.95Å; V320-A328 HydrophobicContact CG2-CB 4.1Å; D324-A328 WeakPolarHBondContact O-CB 3.26Å; D324-A328 PolarHBondContact O-N 3.02Å; G326-A328 PolarHBondContact O-N 2.97Å; A328-I332 WeakPolarHBondContact O-CG1 3.45Å; A328-I332 PolarHBondContact O-N 3.22Å; A328-I467 HydrophobicContact CB-CG2 4.01Å
329F97.3Very high94.4Very high1 Ų154 Ų540%0.00428%0.277CS..Hα-helixtrans-67.5-47175.8172.3-98.2000111.7L314 L317 V325 G326 H331 I332 A333 I344 F347 E348 V352L314-F329 HydrophobicContact CD2-CD2 4.25Å; L314-F329 HydrophobicContact CD2-CE2 4.21Å; L317-F329 HydrophobicContact CD1-CB 4.38Å; L317-F329 HydrophobicContact CD1-CD2 4.02Å; V325-F329 VanDerWaalsContact O-CB 3.27Å; V325-F329 WeakPolarHBondContact O-CB 3.34Å; V325-F329 PolarHBondContact O-N 2.89Å; G326-F329 PolarHBondContact O-N 2.85Å; F329-H331 VanDerWaalsContact C-N 3.25Å; F329-H331 PolarHBondContact O-N 2.72Å; F329-I332 WeakPolarHBondContact O-CA 3.45Å; F329-I332 WeakPolarHBondContact O-CB 3.42Å; F329-I332 PolarHBondContact O-N 2.79Å; F329-A333 HydrophobicContact CE1-CB 4.28Å; F329-A333 HydrophobicContact CZ-CB 4.33Å; F329-A333 PolarHBondContact O-N 3.18Å; F329-I344 HydrophobicContact CE2-CG2 4.38Å; F329-I344 HydrophobicContact CZ-CG2 3.77Å; F329-F347 AromaticContact CD2-CD1 3.77Å; F329-F347 HydrophobicContact CD2-CD1 3.77Å; F329-F347 HydrophobicContact CD2-CE1 4.07Å; F329-F347 HydrophobicContact CE2-CB 4.37Å; F329-F347 AromaticContact CE2-CD1 3.58Å; F329-F347 HydrophobicContact CE2-CD1 3.58Å; F329-F347 HydrophobicContact CE2-CE1 4.34Å; F329-F347 HydrophobicContact CE2-CG 4.33Å; F329-E348 HydrophobicContact CD1-CG 4.43Å; F329-E348 HydrophobicContact CE1-CB 3.7Å; F329-E348 HydrophobicContact CE1-CG 3.56Å; F329-E348 HydrophobicContact CE2-CB 4.43Å; F329-E348 HydrophobicContact CZ-CB 3.49Å; F329-E348 VanDerWaalsContact CZ-CB 3.49Å; F329-E348 HydrophobicContact CZ-CG 3.93Å; F329-V352 HydrophobicContact CB-CG1 4.21Å; F329-V352 HydrophobicContact CB-CG2 4.28Å; F329-V352 HydrophobicContact CD1-CB 4.41Å; F329-V352 HydrophobicContact CD1-CG1 4.11Å; F329-V352 HydrophobicContact CD1-CG2 4.31Å; F329-V352 HydrophobicContact CD2-CG2 3.93Å; F329-V352 HydrophobicContact CE2-CG2 4.43Å; F329-V352 HydrophobicContact CG-CB 4.42Å; F329-V352 HydrophobicContact CG-CG1 4.17Å; F329-V352 HydrophobicContact CG-CG2 3.87Å
330E95.4Very high94.3Very high79 Ų7954 Ų5437%0.36928%0.277SS..Hα-helixtrans-57.7-41.3178-69.8-64.1173.600111.3G326 I332 A333 E334 H353G326-E330 WeakPolarHBondContact O-CG 3.39Å; G326-E330 PolarHBondContact O-N 2.79Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 3.08Å; E330-A333 PolarHBondContact O-N 3.09Å; E330-A333 VanDerWaalsContact O-N 3.13Å; E330-E334 WeakPolarHBondContact O-CB 3.37Å; E330-E334 WeakPolarHBondContact O-CG 3.38Å; E330-E334 PolarHBondContact O-N 3.21Å; E330-H353 IonicContact OE1-CE1 3.95Å; E330-H353 PolarHBondContact OE1-CE1 2.85Å; E330-H353 VanDerWaalsContact OE1-CE1 3.25Å; E330-H353 IonicContact OE1-ND1 2.73Å
331H93.9Very high94.1Very high65 Ų6557.9 Ų57.930%0.30130%0.298SS..Hα-helixtrans-60-37.8174.5-173.569.7000113.3E327 F329 T335E327-H331 PolarHBondContact O-N 3.41Å; F329-H331 VanDerWaalsContact C-N 3.25Å; F329-H331 PolarHBondContact O-N 2.72Å; H331-T335 WeakPolarHBondContact O-CG2 3.39Å; H331-T335 PolarHBondContact O-N 2.77Å; H331-T335 PolarHBondContact O-OG1 3.12Å
332I95.3Very high94.1Very high0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-69-43.7174.5-62.9164.9000110C310 M313 L314 L317 A328 F329 E330 T335 A336 I344 L471C310-I332 WeakPolarHBondContact SG-CG2 3.39Å; M313-I332 HydrophobicContact CB-CD1 3.77Å; M313-I332 HydrophobicContact CB-CG1 3.9Å; M313-I332 HydrophobicContact CE-CG1 4.19Å; M313-I332 HydrophobicContact CE-CG2 4.39Å; M313-I332 HydrophobicContact SD-CG1 4.41Å; L314-I332 HydrophobicContact CD2-CD1 4.23Å; L314-I332 HydrophobicContact CD2-CG2 3.89Å; L314-I332 HydrophobicContact CG-CG2 4.19Å; L317-I332 HydrophobicContact CD1-CD1 3.91Å; L317-I332 HydrophobicContact CD2-CD1 3.69Å; L317-I332 HydrophobicContact CG-CD1 3.74Å; A328-I332 WeakPolarHBondContact O-CG1 3.45Å; A328-I332 PolarHBondContact O-N 3.22Å; F329-I332 WeakPolarHBondContact O-CA 3.45Å; F329-I332 WeakPolarHBondContact O-CB 3.42Å; F329-I332 PolarHBondContact O-N 2.79Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 3.08Å; I332-T335 PolarHBondContact O-N 2.92Å; I332-T335 PolarHBondContact O-OG1 3.15Å; I332-T335 VanDerWaalsContact O-OG1 3.08Å; I332-A336 PolarHBondContact O-N 2.76Å; I332-A336 VanDerWaalsContact O-N 3.09Å; I332-I344 HydrophobicContact CG2-CD1 4.22Å; I332-L471 HydrophobicContact CD1-CD1 3.88Å; I332-L471 HydrophobicContact CG1-CD1 4.01Å
333A94.9Very high94Very high24 Ų2459.5 Ų59.520%0.19831%0.307CS..Hα-helixtrans-62.4-44.7-179.300000112.1F329 E330 T335 A336 I344F329-A333 HydrophobicContact CE1-CB 4.28Å; F329-A333 HydrophobicContact CZ-CB 4.33Å; F329-A333 PolarHBondContact O-N 3.18Å; E330-A333 PolarHBondContact O-N 3.09Å; E330-A333 VanDerWaalsContact O-N 3.13Å; A333-T335 PolarHBondContact O-N 2.9Å; A333-A336 WeakPolarHBondContact O-CB 3.18Å; A333-A336 PolarHBondContact O-N 3.04Å; A333-I344 HydrophobicContact CB-CG2 3.63Å
334E93Very high94Very high156 Ų15652.6 Ų52.673%0.72928%0.275SS*.Hα-helixtrans-64.7-24.6177.6-72.4177.4169.600113.5E330E330-E334 WeakPolarHBondContact O-CB 3.37Å; E330-E334 WeakPolarHBondContact O-CG 3.38Å; E330-E334 PolarHBondContact O-N 3.21Å
335T89.3Confident93.8Very high79 Ų7956 Ų5649%0.48529%0.293SS..Hα-helixtrans-98-3.7179.856.80000113.3H331 I332 A333H331-T335 WeakPolarHBondContact O-CG2 3.39Å; H331-T335 PolarHBondContact O-N 2.77Å; H331-T335 PolarHBondContact O-OG1 3.12Å; I332-T335 PolarHBondContact O-N 2.92Å; I332-T335 PolarHBondContact O-OG1 3.15Å; I332-T335 VanDerWaalsContact O-OG1 3.08Å; A333-T335 PolarHBondContact O-N 2.9Å
336A92.1Very high93.7Very high20 Ų2059 Ų5917%0.16531%0.305CS..SBendtrans-73142.8178.500000111I332 A333 L340 I344I332-A336 PolarHBondContact O-N 2.76Å; I332-A336 VanDerWaalsContact O-N 3.09Å; A333-A336 WeakPolarHBondContact O-CB 3.18Å; A333-A336 PolarHBondContact O-N 3.04Å; A336-L340 HydrophobicContact CB-CB 4.16Å; A336-L340 HydrophobicContact CB-CD1 4.28Å; A336-I344 HydrophobicContact CB-CD1 4.12Å; A336-I344 HydrophobicContact CB-CG1 3.83Å
337E91Very high93.6Very high79 Ų7957.9 Ų57.937%0.36929%0.293SS..  trans-72.2154.9169.1-63.5-17717400110.3R299 S306 D339 L340R299-E337 IonicContact NH2-OE2 3.47Å; S306-E337 WeakPolarHBondContact CB-OE1 3.31Å; S306-E337 PolarHBondContact OG-OE1 3.22Å; S306-E337 PolarHBondContact OG-OE2 2.85Å; E337-D339 PolarHBondContact O-N 3.16Å; E337-L340 WeakPolarHBondContact O-CB 3.5Å; E337-L340 PolarHBondContact O-N 3.03Å
338E90.4Very high93.6Very high167 Ų16755.6 Ų55.678%0.7828%0.282SS*.G310 helixtrans-51.6-34178.6-62.7-178.5175.500112.4L340 D341E338-L340 PolarHBondContact O-N 2.83Å; E338-D341 WeakPolarHBondContact O-CB 3.49Å; E338-D341 VanDerWaalsContact O-CG 3.25Å; E338-D341 PolarHBondContact O-N 2.7Å; E338-D341 VanDerWaalsContact O-N 3.07Å
339D88Confident93.5Very high91 Ų9161.4 Ų61.449%0.48730%0.304SS..G310 helixtrans-61.3-16.4176.8-69.9-17.7000114.2R299 E337R299-D339 IonicContact CZ-OD2 3.75Å; R299-D339 IonicContact NH1-OD2 3.89Å; R299-D339 PolarHBondContact NH1-OD2 3.07Å; R299-D339 IonicContact NH2-OD2 3.14Å; R299-D339 PolarHBondContact NH2-OD2 3.33Å; E337-D339 PolarHBondContact O-N 3.16Å
340L92.6Very high93.3Very high1 Ų162.2 Ų62.21%0.00531%0.309CS..G310 helixtrans-99.5-2.6178.1-65.8-176.9000113.8L296 I307 C310 V311 A336 E337 E338 D342 L343 I344L296-L340 HydrophobicContact CD1-CD2 3.74Å; I307-L340 HydrophobicContact CD1-CD2 4.39Å; I307-L340 HydrophobicContact CG1-CD1 4.17Å; I307-L340 HydrophobicContact CG1-CD2 4.02Å; I307-L340 HydrophobicContact CG1-CG 4.08Å; I307-L340 HydrophobicContact CG2-CD2 4.1Å; C310-L340 HydrophobicContact CB-CD1 3.51Å; C310-L340 VanDerWaalsContact SG-CD1 3.57Å; V311-L340 HydrophobicContact CG2-CD2 4.47Å; A336-L340 HydrophobicContact CB-CB 4.16Å; A336-L340 HydrophobicContact CB-CD1 4.28Å; E337-L340 WeakPolarHBondContact O-CB 3.5Å; E337-L340 PolarHBondContact O-N 3.03Å; E338-L340 PolarHBondContact O-N 2.83Å; L340-D342 PolarHBondContact O-N 2.79Å; L340-D342 VanDerWaalsContact O-N 3.17Å; L340-L343 HydrophobicContact CD2-CD2 4.22Å; L340-L343 WeakPolarHBondContact O-CA 3.49Å; L340-L343 WeakPolarHBondContact O-CB 3.24Å; L340-L343 PolarHBondContact O-N 3.05Å; L340-I344 HydrophobicContact CB-CG1 4.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.04Å; L340-I344 PolarHBondContact O-N 3.23Å
341D93.4Very high93.3Very high82 Ų8258.4 Ų58.444%0.43929%0.291SS..Hα-helixtrans-52.3-43.6-176.9-77.3-6.5000111.9E338 L343 I344 N345E338-D341 WeakPolarHBondContact O-CB 3.49Å; E338-D341 VanDerWaalsContact O-CG 3.25Å; E338-D341 PolarHBondContact O-N 2.7Å; E338-D341 VanDerWaalsContact O-N 3.07Å; D341-L343 VanDerWaalsContact C-N 3.27Å; D341-L343 PolarHBondContact O-N 3.3Å; D341-I344 PolarHBondContact O-N 3.14Å; D341-N345 WeakPolarHBondContact O-CB 3.5Å; D341-N345 VanDerWaalsContact O-CG 3.22Å; D341-N345 PolarHBondContact O-N 3.35Å; D341-N345 PolarHBondContact O-ND2 2.89Å
342D94.2Very high93.3Very high104 Ų10456 Ų5656%0.55628%0.28SS*.Hα-helixtrans-66.2-26.9178.6-86-23.1000114R290 L294 L340 Y346R290-D342 PolarHBondContact NH2-O 2.95Å; L294-D342 HydrophobicContact CD1-CB 4Å; L294-D342 HydrophobicContact CD2-CB 3.94Å; L340-D342 PolarHBondContact O-N 2.79Å; L340-D342 VanDerWaalsContact O-N 3.17Å; D342-Y346 WeakPolarHBondContact O-CB 3.37Å; D342-Y346 PolarHBondContact O-N 2.96Å
343L94.4Very high93.2Very high1 Ų159.9 Ų59.91%0.00530%0.298CS..Hα-helixtrans-81-46.4175.8-177.463000110.6L287 R290 I291 L294 L296 V311 L314 L340 D341 Y346 F347L287-L343 HydrophobicContact CD1-CD1 3.78Å; R290-L343 HydrophobicContact CB-CD1 4.12Å; R290-L343 HydrophobicContact CG-CD1 3.57Å; I291-L343 HydrophobicContact CG1-CD1 4.36Å; I291-L343 HydrophobicContact CG1-CD2 4.16Å; L294-L343 HydrophobicContact CD1-CB 3.82Å; L294-L343 HydrophobicContact CD1-CD1 4.26Å; L296-L343 HydrophobicContact CD1-CB 4.49Å; L296-L343 HydrophobicContact CD1-CD2 4.37Å; V311-L343 HydrophobicContact CG2-CD2 3.72Å; L314-L343 HydrophobicContact CD1-CD2 4.13Å; L314-L343 HydrophobicContact CD1-CG 4.26Å; L340-L343 HydrophobicContact CD2-CD2 4.22Å; L340-L343 WeakPolarHBondContact O-CA 3.49Å; L340-L343 WeakPolarHBondContact O-CB 3.24Å; L340-L343 PolarHBondContact O-N 3.05Å; D341-L343 VanDerWaalsContact C-N 3.27Å; D341-L343 PolarHBondContact O-N 3.3Å; L343-Y346 WeakPolarHBondContact O-CB 3.38Å; L343-Y346 PolarHBondContact O-N 3.08Å; L343-F347 WeakPolarHBondContact O-CB 3.26Å; L343-F347 PolarHBondContact O-N 3.42Å
344I95.7Very high93.1Very high12 Ų1259 Ų596%0.06229%0.291CS..Hα-helixtrans-61.1-51.8178.3-66.2-63.1000110.1L314 F329 I332 A333 A336 L340 D341 Y346 F347 E348L314-I344 HydrophobicContact CD1-CD1 4.23Å; L314-I344 HydrophobicContact CD2-CD1 4.31Å; F329-I344 HydrophobicContact CE2-CG2 4.38Å; F329-I344 HydrophobicContact CZ-CG2 3.77Å; I332-I344 HydrophobicContact CG2-CD1 4.22Å; A333-I344 HydrophobicContact CB-CG2 3.63Å; A336-I344 HydrophobicContact CB-CD1 4.12Å; A336-I344 HydrophobicContact CB-CG1 3.83Å; L340-I344 HydrophobicContact CB-CG1 4.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.04Å; L340-I344 PolarHBondContact O-N 3.23Å; D341-I344 PolarHBondContact O-N 3.14Å; I344-Y346 VanDerWaalsContact C-N 3.28Å; I344-Y346 PolarHBondContact O-N 2.89Å; I344-F347 PolarHBondContact O-N 2.77Å; I344-F347 VanDerWaalsContact O-N 3.11Å; I344-E348 WeakPolarHBondContact O-CB 3.22Å; I344-E348 PolarHBondContact O-N 3.44Å
345N94.2Very high92.9Very high89 Ų8956.9 Ų56.948%0.47628%0.277SS..Hα-helixtrans-60.3-37.3177-74.3-50.5000112.3D341 R349D341-N345 WeakPolarHBondContact O-CB 3.5Å; D341-N345 VanDerWaalsContact O-CG 3.22Å; D341-N345 PolarHBondContact O-N 3.35Å; D341-N345 PolarHBondContact O-ND2 2.89Å; N345-R349 VanDerWaalsContact O-CB 3.27Å; N345-R349 WeakPolarHBondContact O-CB 2.97Å; N345-R349 PolarHBondContact O-N 3.42Å
346Y94.1Very high92.7Very high66 Ų6658.1 Ų58.126%0.25929%0.286SS..Hα-helixtrans-65-47174.6170.4-92000111.4R290 D342 L343 I344 L350R290-Y346 HydrophobicContact CB-CD1 4.1Å; R290-Y346 HydrophobicContact CB-CE1 3.79Å; R290-Y346 HydrophobicContact CG-CD1 3.51Å; R290-Y346 HydrophobicContact CG-CD2 4.37Å; R290-Y346 HydrophobicContact CG-CE1 3.7Å; R290-Y346 HydrophobicContact CG-CG 3.85Å; R290-Y346 VanDerWaalsContact NE-CG 3.3Å; D342-Y346 WeakPolarHBondContact O-CB 3.37Å; D342-Y346 PolarHBondContact O-N 2.96Å; L343-Y346 WeakPolarHBondContact O-CB 3.38Å; L343-Y346 PolarHBondContact O-N 3.08Å; I344-Y346 VanDerWaalsContact C-N 3.28Å; I344-Y346 PolarHBondContact O-N 2.89Å; Y346-L350 HydrophobicContact CE1-CD2 3.72Å; Y346-L350 HydrophobicContact CE2-CD2 4.18Å; Y346-L350 VanDerWaalsContact CZ-CD2 3.46Å; Y346-L350 WeakPolarHBondContact O-CB 3.45Å; Y346-L350 PolarHBondContact O-N 2.79Å; Y346-L350 VanDerWaalsContact OH-CD2 3.28Å; Y346-L350 WeakPolarHBondContact OH-CD2 3.46Å
347F94.9Very high92.2Very high0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-63.8-48.4-179.1-170.3-79.2000110.9F283 L287 L314 L317 F329 L343 I344 R349 L350 F351 V352F283-F347 HydrophobicContact CE2-CE2 4.08Å; F283-F347 HydrophobicContact CE2-CZ 4.12Å; F283-F347 AromaticContact CZ-CE2 3.58Å; F283-F347 HydrophobicContact CZ-CE2 3.58Å; F283-F347 AromaticContact CZ-CZ 3.69Å; F283-F347 HydrophobicContact CZ-CZ 3.69Å; L287-F347 HydrophobicContact CD1-CD2 4.2Å; L314-F347 HydrophobicContact CB-CD2 4.45Å; L314-F347 HydrophobicContact CB-CE2 4.26Å; L314-F347 HydrophobicContact CD1-CD2 4.45Å; L314-F347 HydrophobicContact CD2-CD1 4.16Å; L314-F347 HydrophobicContact CD2-CD2 4.26Å; L314-F347 HydrophobicContact CD2-CE1 4.36Å; L314-F347 HydrophobicContact CD2-CE2 4.45Å; L314-F347 HydrophobicContact CD2-CG 4.11Å; L317-F347 HydrophobicContact CD1-CD1 4.36Å; L317-F347 HydrophobicContact CD1-CE1 3.44Å; L317-F347 VanDerWaalsContact CD1-CE1 3.44Å; L317-F347 HydrophobicContact CD1-CZ 3.6Å; F329-F347 AromaticContact CD2-CD1 3.77Å; F329-F347 HydrophobicContact CD2-CD1 3.77Å; F329-F347 HydrophobicContact CD2-CE1 4.07Å; F329-F347 HydrophobicContact CE2-CB 4.37Å; F329-F347 AromaticContact CE2-CD1 3.58Å; F329-F347 HydrophobicContact CE2-CD1 3.58Å; F329-F347 HydrophobicContact CE2-CE1 4.34Å; F329-F347 HydrophobicContact CE2-CG 4.33Å; L343-F347 WeakPolarHBondContact O-CB 3.26Å; L343-F347 PolarHBondContact O-N 3.42Å; I344-F347 PolarHBondContact O-N 2.77Å; I344-F347 VanDerWaalsContact O-N 3.11Å; F347-R349 PolarHBondContact O-N 3.49Å; F347-L350 PolarHBondContact O-N 3.32Å; F347-F351 HydrophobicContact CD1-CB 4.27Å; F347-F351 HydrophobicContact CD1-CD2 4.41Å; F347-F351 AromaticContact CD2-CD2 3.79Å; F347-F351 HydrophobicContact CD2-CD2 3.79Å; F347-F351 HydrophobicContact CD2-CE2 4.29Å; F347-F351 HydrophobicContact CE1-CB 3.96Å; F347-F351 HydrophobicContact CE1-CD2 4.43Å; F347-F351 AromaticContact CE2-CD2 3.82Å; F347-F351 HydrophobicContact CE2-CD2 3.82Å; F347-F351 HydrophobicContact CE2-CE2 4.33Å; F347-F351 HydrophobicContact CE2-CG 4.5Å; F347-F351 HydrophobicContact CG-CD2 4.09Å; F347-F351 HydrophobicContact CZ-CB 4.19Å; F347-F351 HydrophobicContact CZ-CD2 4.15Å; F347-F351 HydrophobicContact CZ-CG 4.41Å; F347-F351 WeakPolarHBondContact O-CB 3.46Å; F347-F351 PolarHBondContact O-N 2.97Å; F347-V352 HydrophobicContact CD1-CG2 3.79Å; F347-V352 HydrophobicContact CE1-CG2 3.61Å
348E95.4Very high91.7Very high52 Ų5263 Ų6324%0.24331%0.312CS..Iπ-helixtrans-54.3-51.4178.7-168.4-177-172.800111.7F329 I344 L350 V352 H353 G354F329-E348 HydrophobicContact CD1-CG 4.43Å; F329-E348 HydrophobicContact CE1-CB 3.7Å; F329-E348 HydrophobicContact CE1-CG 3.56Å; F329-E348 HydrophobicContact CE2-CB 4.43Å; F329-E348 HydrophobicContact CZ-CB 3.49Å; F329-E348 VanDerWaalsContact CZ-CB 3.49Å; F329-E348 HydrophobicContact CZ-CG 3.93Å; I344-E348 WeakPolarHBondContact O-CB 3.22Å; I344-E348 PolarHBondContact O-N 3.44Å; E348-L350 VanDerWaalsContact C-N 3.3Å; E348-L350 PolarHBondContact O-N 2.86Å; E348-V352 CarbonylContact O-C 3.58Å; E348-V352 PolarHBondContact O-N 3.16Å; E348-H353 HydrophobicContact CG-CB 3.98Å; E348-H353 WeakPolarHBondContact CG-ND1 3.09Å; E348-H353 PolarHBondContact O-N 3.19Å; E348-H353 IonicContact OE1-CE1 3.16Å; E348-H353 IonicContact OE1-CG 3.77Å; E348-H353 IonicContact OE1-ND1 2.67Å; E348-H353 PolarHBondContact OE1-ND1 2.9Å; E348-G354 PolarHBondContact O-N 3.05Å
349R94Very high91.3Very high121 Ų12159.2 Ų59.246%0.45732%0.318SS..Iπ-helixtrans-66.9-32.5-178179.4174.1167.4-163-8.1112.9N345 F347 G354 R355N345-R349 VanDerWaalsContact O-CB 3.27Å; N345-R349 WeakPolarHBondContact O-CB 2.97Å; N345-R349 PolarHBondContact O-N 3.42Å; F347-R349 PolarHBondContact O-N 3.49Å; R349-G354 WeakPolarHBondContact CA-O 3.45Å; R349-G354 WeakPolarHBondContact O-CA 3.37Å; R349-R355 HydrophobicContact CG-CG 3.92Å
350L93.2Very high90.9Very high18 Ų1864 Ų649%0.09434%0.338CS..Iπ-helixtrans-83.9-40.2-176.5-172.655.1000111.9Y346 F347 E348 K367 F368Y346-L350 HydrophobicContact CE1-CD2 3.72Å; Y346-L350 HydrophobicContact CE2-CD2 4.18Å; Y346-L350 VanDerWaalsContact CZ-CD2 3.46Å; Y346-L350 WeakPolarHBondContact O-CB 3.45Å; Y346-L350 PolarHBondContact O-N 2.79Å; Y346-L350 VanDerWaalsContact OH-CD2 3.28Å; Y346-L350 WeakPolarHBondContact OH-CD2 3.46Å; F347-L350 PolarHBondContact O-N 3.32Å; E348-L350 VanDerWaalsContact C-N 3.3Å; E348-L350 PolarHBondContact O-N 2.86Å; L350-K367 HydrophobicContact CD1-CB 3.84Å; L350-K367 HydrophobicContact CD1-CD 3.84Å; L350-K367 HydrophobicContact CD1-CG 4.08Å; L350-K367 PolarHBondContact O-N 3.47Å; L350-F368 HydrophobicContact CD1-CD2 3.46Å; L350-F368 VanDerWaalsContact CD1-CD2 3.46Å; L350-F368 HydrophobicContact CD1-CE2 3.58Å; L350-F368 HydrophobicContact CD2-CD2 4.36Å; L350-F368 HydrophobicContact CD2-CE2 4.43Å; L350-F368 HydrophobicContact CG-CD2 3.78Å; L350-F368 HydrophobicContact CG-CE2 4.2Å; L350-F368 PolarHBondContact O-N 2.96Å
351F95Very high90.4Very high0 Ų073.6 Ų73.60%037%0.374CS..Iπ-helixtrans-121-24.4-163.7-66.3-66.1000115.7F259 F283 L286 F347 F368 P370 W373F259-F351 HydrophobicContact CD1-CE1 4.44Å; F259-F351 HydrophobicContact CE1-CE1 4.32Å; F283-F351 HydrophobicContact CD2-CD1 4.26Å; F283-F351 AromaticContact CD2-CE1 3.81Å; F283-F351 HydrophobicContact CD2-CE1 3.81Å; F283-F351 AromaticContact CD2-CZ 3.99Å; F283-F351 HydrophobicContact CD2-CZ 3.99Å; F283-F351 HydrophobicContact CE2-CD1 4Å; F283-F351 HydrophobicContact CE2-CD2 4.3Å; F283-F351 AromaticContact CE2-CE1 3.95Å; F283-F351 HydrophobicContact CE2-CE1 3.95Å; F283-F351 HydrophobicContact CE2-CE2 4.24Å; F283-F351 HydrophobicContact CE2-CG 4.17Å; F283-F351 HydrophobicContact CE2-CZ 4.07Å; L286-F351 HydrophobicContact CD1-CZ 3.98Å; F347-F351 HydrophobicContact CD1-CB 4.27Å; F347-F351 HydrophobicContact CD1-CD2 4.41Å; F347-F351 AromaticContact CD2-CD2 3.79Å; F347-F351 HydrophobicContact CD2-CD2 3.79Å; F347-F351 HydrophobicContact CD2-CE2 4.29Å; F347-F351 HydrophobicContact CE1-CB 3.96Å; F347-F351 HydrophobicContact CE1-CD2 4.43Å; F347-F351 AromaticContact CE2-CD2 3.82Å; F347-F351 HydrophobicContact CE2-CD2 3.82Å; F347-F351 HydrophobicContact CE2-CE2 4.33Å; F347-F351 HydrophobicContact CE2-CG 4.5Å; F347-F351 HydrophobicContact CG-CD2 4.09Å; F347-F351 HydrophobicContact CZ-CB 4.19Å; F347-F351 HydrophobicContact CZ-CD2 4.15Å; F347-F351 HydrophobicContact CZ-CG 4.41Å; F347-F351 WeakPolarHBondContact O-CB 3.46Å; F347-F351 PolarHBondContact O-N 2.97Å; F351-F368 WeakPolarHBondContact CA-O 3.34Å; F351-F368 HydrophobicContact CD1-CB 3.84Å; F351-F368 HydrophobicContact CD1-CD2 4.33Å; F351-F368 HydrophobicContact CE1-CB 3.96Å; F351-F368 AromaticContact CE1-CD2 3.79Å; F351-F368 HydrophobicContact CE1-CD2 3.79Å; F351-F368 HydrophobicContact CE1-CG 4.3Å; F351-F368 HydrophobicContact CZ-CD2 4.37Å; F351-P370 VanDerWaalsContact O-CD 3.26Å; F351-P370 WeakPolarHBondContact O-CD 3.35Å; F351-P370 WeakPolarHBondContact O-CG 3.4Å; F351-W373 HydrophobicContact CB-CZ2 3.98Å; F351-W373 AromaticContact CD1-CD1 3.63Å; F351-W373 HydrophobicContact CD1-CG 4.27Å; F351-W373 AromaticContact CD1-NE1 3.6Å; F351-W373 WeakPolarHBondContact O-CZ2 3.44Å; F351-W373 PolarHBondContact O-NE1 3.33Å; F351-W373 VanDerWaalsContact O-NE1 3.11Å
352V95.1Very high90.1Very high13 Ų1377.2 Ų77.28%0.07939%0.388CS..Iπ-helixtrans-114.7-74.5-167.6-168.10000112F329 F347 E348 P366F329-V352 HydrophobicContact CB-CG1 4.21Å; F329-V352 HydrophobicContact CB-CG2 4.28Å; F329-V352 HydrophobicContact CD1-CB 4.41Å; F329-V352 HydrophobicContact CD1-CG1 4.11Å; F329-V352 HydrophobicContact CD1-CG2 4.31Å; F329-V352 HydrophobicContact CD2-CG2 3.93Å; F329-V352 HydrophobicContact CE2-CG2 4.43Å; F329-V352 HydrophobicContact CG-CB 4.42Å; F329-V352 HydrophobicContact CG-CG1 4.17Å; F329-V352 HydrophobicContact CG-CG2 3.87Å; F347-V352 HydrophobicContact CD1-CG2 3.79Å; F347-V352 HydrophobicContact CE1-CG2 3.61Å; E348-V352 CarbonylContact O-C 3.58Å; E348-V352 PolarHBondContact O-N 3.16Å; V352-P366 WeakPolarHBondContact O-CG 3.4Å
353H92.6Very high89.8Confident82 Ų8276.3 Ų76.338%0.3839%0.387SS..SBendtrans-104.6-21.7-171.5-59.6131.5000114E330 E348E330-H353 IonicContact OE1-CE1 3.95Å; E330-H353 PolarHBondContact OE1-CE1 2.85Å; E330-H353 VanDerWaalsContact OE1-CE1 3.25Å; E330-H353 IonicContact OE1-ND1 2.73Å; E348-H353 HydrophobicContact CG-CB 3.98Å; E348-H353 WeakPolarHBondContact CG-ND1 3.09Å; E348-H353 PolarHBondContact O-N 3.19Å; E348-H353 IonicContact OE1-CE1 3.16Å; E348-H353 IonicContact OE1-CG 3.77Å; E348-H353 IonicContact OE1-ND1 2.67Å; E348-H353 PolarHBondContact OE1-ND1 2.9Å
354G93Very high89.6Confident5 Ų580.9 Ų80.95%0.05241%0.409CS..  trans81.2-146.5-175.300000113E348 R349 E364E348-G354 PolarHBondContact O-N 3.05Å; R349-G354 WeakPolarHBondContact CA-O 3.45Å; R349-G354 WeakPolarHBondContact O-CA 3.37Å; G354-E364 CarbonylContact C-O 3.38Å; G354-E364 WeakPolarHBondContact CA-O 3.24Å
355R88.8Confident89.4Confident112 Ų11285.3 Ų85.342%0.42344%0.438SS..BIsolated β-bridgetrans-101.3127.9175.5-58.6-168.4-142.7-168-1.4110.3R349 P363 E364R349-R355 HydrophobicContact CG-CG 3.92Å; R355-P363 CarbonylContact O-C 3.58Å; R355-P363 WeakPolarHBondContact O-CA 3.45Å; R355-E364 HydrophobicContact CB-CB 4.09Å; R355-E364 VanDerWaalsContact CD-OE2 3.3Å; R355-E364 WeakPolarHBondContact CD-OE2 3.45Å; R355-E364 HydrophobicContact CG-CB 4.48Å; R355-E364 IonicContact CZ-OE2 2.77Å; R355-E364 PolarHBondContact N-O 2.78Å; R355-E364 IonicContact NE-OE2 2.65Å; R355-E364 PolarHBondContact NE-OE2 2.98Å; R355-E364 IonicContact NH2-OE2 3.63Å; R355-E364 PolarHBondContact O-N 3.01Å
356P83.9Confident89.4Confident105 Ų10581.9 Ų81.968%0.68242%0.421SS*.PPolyproline II helixtrans-63.6144.1171.827.8-33.7000109.9
357G83Confident89.3Confident33 Ų3385 Ų8534%0.3444%0.436SS..PPolyproline II helixtrans-61.8145169.400000110.7R361G357-R361 CarbonylContact C-O 3.53Å; G357-R361 WeakPolarHBondContact CA-O 3.1Å
358K79.2Confident89.2Confident169 Ų16985.3 Ų85.374%0.73544%0.437SS*.  trans-130.9120.9172.2-75.1-169.1178.6-175.40109.5E360 R361K358-E360 PolarHBondContact O-N 3.39Å; K358-R361 PolarHBondContact N-O 2.78Å; K358-R361 WeakPolarHBondContact O-CB 3.29Å; K358-R361 PolarHBondContact O-N 2.81Å
359G83.1Confident89.1Confident88 Ų8884.9 Ų84.991%0.90744%0.439SS*.THydrogen-bonded Turntrans63.7-126-174.300000111R361G359-R361 VanDerWaalsContact C-N 3.29Å; G359-R361 PolarHBondContact O-N 3.37Å
360E79.8Confident89.2Confident192 Ų19279.9 Ų79.990%0.89742%0.422SS*.THydrogen-bonded Turntrans-78.3-9.6177.3-63179.7170.300113.8K358 Q362K358-E360 PolarHBondContact O-N 3.39Å; E360-Q362 PolarHBondContact O-N 2.72Å
361R81.8Confident89.1Confident202 Ų20283.4 Ų83.476%0.76244%0.438SS*.PPolyproline II helixtrans-72.4123.3179.9-65.6-177.4179.2168.71110.1G357 K358 G359G357-R361 CarbonylContact C-O 3.53Å; G357-R361 WeakPolarHBondContact CA-O 3.1Å; K358-R361 PolarHBondContact N-O 2.78Å; K358-R361 WeakPolarHBondContact O-CB 3.29Å; K358-R361 PolarHBondContact O-N 2.81Å; G359-R361 VanDerWaalsContact C-N 3.29Å; G359-R361 PolarHBondContact O-N 3.37Å
362Q86.3Confident89Confident158 Ų15884.3 Ų84.374%0.73844%0.444SS*.PPolyproline II helixtrans-63.2148.1173.2-63.5-61-37.300110.9E360E360-Q362 PolarHBondContact O-N 2.72Å
363P88.1Confident88.9Confident84 Ų8483.9 Ų83.955%0.54544%0.441SS..PPolyproline II helixtrans-60.2138.5172.625.6-32.8000110.6R355R355-P363 CarbonylContact O-C 3.58Å; R355-P363 WeakPolarHBondContact O-CA 3.45Å
364E90.6Very high88.9Confident97 Ų9780.4 Ų80.445%0.45343%0.425SS..BIsolated β-bridgetrans-93.9129.1172.7-63.7174.6-171.200108.2G354 R355G354-E364 CarbonylContact C-O 3.38Å; G354-E364 WeakPolarHBondContact CA-O 3.24Å; R355-E364 HydrophobicContact CB-CB 4.09Å; R355-E364 VanDerWaalsContact CD-OE2 3.3Å; R355-E364 WeakPolarHBondContact CD-OE2 3.45Å; R355-E364 HydrophobicContact CG-CB 4.48Å; R355-E364 IonicContact CZ-OE2 2.77Å; R355-E364 PolarHBondContact N-O 2.78Å; R355-E364 IonicContact NE-OE2 2.65Å; R355-E364 PolarHBondContact NE-OE2 2.98Å; R355-E364 IonicContact NH2-OE2 3.63Å; R355-E364 PolarHBondContact O-N 3.01Å
365P92Very high88.7Confident105 Ų10580.4 Ų80.468%0.68242%0.424SS*.PPolyproline II helixtrans-62.4160.5175.428.1-34.9000111.3K367P365-K367 PolarHBondContact O-N 3.34Å
366P93.9Very high88.9Confident18 Ų1877 Ų7712%0.11741%0.412CS..PPolyproline II helixtrans-56141171.926.9-37.1000110.1V352 F368 P369V352-P366 WeakPolarHBondContact O-CG 3.4Å; P366-F368 PolarHBondContact O-N 3.14Å; P366-P369 HydrophobicContact CG-CB 4.14Å; P366-P369 HydrophobicContact CG-CG 4.2Å; P366-P369 WeakPolarHBondContact O-CD 3.45Å
367K91.1Very high89.1Confident131 Ų13174.9 Ų74.957%0.5740%0.403SS*.SBendtrans-63.6-28-180168.6179.3-178.9-174.40111.8L350 P365L350-K367 HydrophobicContact CD1-CB 3.84Å; L350-K367 HydrophobicContact CD1-CD 3.84Å; L350-K367 HydrophobicContact CD1-CG 4.08Å; L350-K367 PolarHBondContact O-N 3.47Å; P365-K367 PolarHBondContact O-N 3.34Å
368F92.8Very high89Confident7 Ų773.9 Ų73.93%0.03139%0.39CS..SBendtrans-128.888.8171-53.8-58.7000109.4F259 P261 M264 L286 L350 F351 P366 W373F259-F368 HydrophobicContact CB-CD1 4.48Å; F259-F368 HydrophobicContact CB-CD2 4.36Å; F259-F368 HydrophobicContact CB-CE1 4.04Å; F259-F368 HydrophobicContact CB-CE2 3.91Å; F259-F368 HydrophobicContact CB-CZ 3.73Å; F259-F368 HydrophobicContact CD1-CB 3.97Å; F259-F368 AromaticContact CD1-CD1 3.7Å; F259-F368 HydrophobicContact CD1-CD1 3.7Å; F259-F368 AromaticContact CD1-CD2 3.9Å; F259-F368 HydrophobicContact CD1-CD2 3.9Å; F259-F368 HydrophobicContact CD1-CE1 4.1Å; F259-F368 HydrophobicContact CD1-CE2 4.29Å; F259-F368 AromaticContact CD1-CG 3.58Å; F259-F368 HydrophobicContact CD1-CG 3.58Å; F259-F368 HydrophobicContact CD1-CZ 4.38Å; F259-F368 HydrophobicContact CE1-CB 4.12Å; F259-F368 HydrophobicContact CE1-CG 4.25Å; F259-F368 HydrophobicContact CG-CD2 4.43Å; F259-F368 HydrophobicContact CG-CE2 4.45Å; F259-F368 HydrophobicContact CG-CG 4.49Å; F259-F368 WeakPolarHBondContact O-CZ 3.29Å; P261-F368 HydrophobicContact CG-CE1 4.1Å; P261-F368 HydrophobicContact CG-CZ 4.03Å; M264-F368 HydrophobicContact CE-CD1 4.34Å; M264-F368 HydrophobicContact SD-CD1 3.93Å; M264-F368 HydrophobicContact SD-CE1 3.77Å; L286-F368 HydrophobicContact CD1-CE2 4.27Å; L350-F368 HydrophobicContact CD1-CD2 3.46Å; L350-F368 VanDerWaalsContact CD1-CD2 3.46Å; L350-F368 HydrophobicContact CD1-CE2 3.58Å; L350-F368 HydrophobicContact CD2-CD2 4.36Å; L350-F368 HydrophobicContact CD2-CE2 4.43Å; L350-F368 HydrophobicContact CG-CD2 3.78Å; L350-F368 HydrophobicContact CG-CE2 4.2Å; L350-F368 PolarHBondContact O-N 2.96Å; F351-F368 WeakPolarHBondContact CA-O 3.34Å; F351-F368 HydrophobicContact CD1-CB 3.84Å; F351-F368 HydrophobicContact CD1-CD2 4.33Å; F351-F368 HydrophobicContact CE1-CB 3.96Å; F351-F368 AromaticContact CE1-CD2 3.79Å; F351-F368 HydrophobicContact CE1-CD2 3.79Å; F351-F368 HydrophobicContact CE1-CG 4.3Å; F351-F368 HydrophobicContact CZ-CD2 4.37Å; P366-F368 PolarHBondContact O-N 3.14Å; F368-W373 VanDerWaalsContact O-CD1 3.23Å; F368-W373 PolarHBondContact O-NE1 2.87Å
369P93.9Very high89.3Confident42 Ų4266 Ų6627%0.27336%0.356SS..  trans-56.9152.4-177.6-24.933.6000113.4P366 E371 T372 W373P366-P369 HydrophobicContact CG-CB 4.14Å; P366-P369 HydrophobicContact CG-CG 4.2Å; P366-P369 WeakPolarHBondContact O-CD 3.45Å; P369-E371 WeakPolarHBondContact CB-OE2 3.49Å; P369-E371 PolarHBondContact O-N 2.84Å; P369-T372 WeakPolarHBondContact O-CB 3.14Å; P369-T372 PolarHBondContact O-N 3.34Å; P369-T372 PolarHBondContact O-OG1 3.06Å; P369-W373 PolarHBondContact O-NE1 2.94Å
370P95.3Very high89.4Confident17 Ų1764.7 Ų64.711%0.1133%0.328CS..Hα-helixtrans-47.3-36.2178.6-3138.3000114.7L322 V325 F351 T372 W373 N374L322-P370 HydrophobicContact CD1-CB 3.57Å; V325-P370 HydrophobicContact CG1-CB 4.26Å; V325-P370 HydrophobicContact CG1-CG 4.18Å; F351-P370 VanDerWaalsContact O-CD 3.26Å; F351-P370 WeakPolarHBondContact O-CD 3.35Å; F351-P370 WeakPolarHBondContact O-CG 3.4Å; P370-T372 PolarHBondContact O-N 3.42Å; P370-T372 VanDerWaalsContact O-N 3.1Å; P370-W373 HydrophobicContact CB-CZ2 3.99Å; P370-W373 HydrophobicContact CG-CZ2 4.03Å; P370-W373 PolarHBondContact O-N 3.4Å; P370-N374 WeakPolarHBondContact O-CB 3.47Å; P370-N374 PolarHBondContact O-N 3.25Å
371E92.6Very high89.1Confident91 Ų9157.3 Ų57.343%0.42530%0.297SS..Hα-helixtrans-58-27177.1-63.873.9-165.300112.9K277 L322 P369K277-E371 WeakPolarHBondContact CE-O 3.43Å; K277-E371 PolarHBondContact NZ-O 3.04Å; L322-E371 HydrophobicContact CD1-CG 4.35Å; L322-E371 HydrophobicContact CD2-CG 3.93Å; P369-E371 WeakPolarHBondContact CB-OE2 3.49Å; P369-E371 PolarHBondContact O-N 2.84Å
372T91.8Very high88.4Confident20 Ų2052.8 Ų52.812%0.12329%0.292CS..Hα-helixtrans-80-36.1-178.565.50000112.1M264 K277 G278 P369 P370M264-T372 HydrophobicContact CE-CG2 4.16Å; K277-T372 CarbonylContact C-O 3.5Å; K277-T372 VanDerWaalsContact CA-O 3.28Å; K277-T372 WeakPolarHBondContact CA-O 3.39Å; K277-T372 VanDerWaalsContact CD-O 3.3Å; K277-T372 WeakPolarHBondContact CD-O 3.28Å; G278-T372 PolarHBondContact N-O 3.45Å; P369-T372 WeakPolarHBondContact O-CB 3.14Å; P369-T372 PolarHBondContact O-N 3.34Å; P369-T372 PolarHBondContact O-OG1 3.06Å; P370-T372 PolarHBondContact O-N 3.42Å; P370-T372 VanDerWaalsContact O-N 3.1Å
373W92.2Very high87.5Confident3 Ų348.2 Ų48.21%0.01127%0.271CS..Hα-helixtrans-113.7-14.1-171.754.2-98.8000114.4F259 F283 L317 P318 V325 F351 F368 P369 P370 C375F259-W373 HydrophobicContact CE1-CB 3.87Å; F259-W373 HydrophobicContact CZ-CB 3.55Å; F283-W373 HydrophobicContact CD2-CB 4.07Å; F283-W373 HydrophobicContact CD2-CD2 4.48Å; F283-W373 HydrophobicContact CD2-CG 4.27Å; F283-W373 HydrophobicContact CE2-CB 4.49Å; F283-W373 HydrophobicContact CE2-CD2 4.03Å; F283-W373 HydrophobicContact CE2-CE3 4.07Å; F283-W373 HydrophobicContact CE2-CG 4.24Å; F283-W373 HydrophobicContact CZ-CE3 4.46Å; L317-W373 HydrophobicContact CB-CH2 4.21Å; L317-W373 HydrophobicContact CB-CZ3 4.1Å; P318-W373 HydrophobicContact CB-CE3 4.06Å; P318-W373 HydrophobicContact CB-CZ3 4.31Å; P318-W373 HydrophobicContact CG-CE3 3.83Å; P318-W373 HydrophobicContact CG-CZ3 4.03Å; V325-W373 HydrophobicContact CG1-CH2 3.53Å; V325-W373 HydrophobicContact CG1-CZ2 3.96Å; V325-W373 HydrophobicContact CG2-CH2 4.41Å; F351-W373 HydrophobicContact CB-CZ2 3.98Å; F351-W373 AromaticContact CD1-CD1 3.63Å; F351-W373 HydrophobicContact CD1-CG 4.27Å; F351-W373 AromaticContact CD1-NE1 3.6Å; F351-W373 WeakPolarHBondContact O-CZ2 3.44Å; F351-W373 PolarHBondContact O-NE1 3.33Å; F351-W373 VanDerWaalsContact O-NE1 3.11Å; F368-W373 VanDerWaalsContact O-CD1 3.23Å; F368-W373 PolarHBondContact O-NE1 2.87Å; P369-W373 PolarHBondContact O-NE1 2.94Å; P370-W373 HydrophobicContact CB-CZ2 3.99Å; P370-W373 HydrophobicContact CG-CZ2 4.03Å; P370-W373 PolarHBondContact O-N 3.4Å; W373-C375 PolarHBondContact O-N 2.82Å; W373-C375 PolarHBondContact O-SG 3.16Å; W373-C375 VanDerWaalsContact O-SG 3.36Å
374N93.3Very high86.6Confident9 Ų945 Ų455%0.04825%0.248CC..  trans-64133177.6-172.9-83.4000111.9K277 P318 V320 L322 P370 Y376K277-N374 PolarHBondContact NZ-O 3.33Å; P318-N374 PolarHBondContact O-ND2 2.91Å; V320-N374 PolarHBondContact O-ND2 2.77Å; L322-N374 HydrophobicContact CD1-CB 4.07Å; P370-N374 WeakPolarHBondContact O-CB 3.47Å; P370-N374 PolarHBondContact O-N 3.25Å; N374-Y376 WeakPolarHBondContact OD1-CB 3.49Å; N374-Y376 PolarHBondContact OD1-N 3.34Å; N374-Y376 VanDerWaalsContact OD1-N 3.09Å
375C89.8Confident85.5Confident5 Ų546 Ų463%0.03425%0.253CS..  trans-115-4.4-175.6-66.60000113.4P318 W373 A377 L378 V379P318-C375 HydrophobicContact CB-CB 4.34Å; P318-C375 CarbonylContact O-C 3.46Å; P318-C375 WeakPolarHBondContact O-CA 3.42Å; P318-C375 PolarHBondContact O-N 3.35Å; W373-C375 PolarHBondContact O-N 2.82Å; W373-C375 PolarHBondContact O-SG 3.16Å; W373-C375 VanDerWaalsContact O-SG 3.36Å; C375-A377 PolarHBondContact O-N 2.93Å; C375-L378 WeakPolarHBondContact O-CA 3.46Å; C375-L378 WeakPolarHBondContact O-CB 3.23Å; C375-L378 PolarHBondContact O-N 2.93Å; C375-V379 HydrophobicContact CB-CG2 4.25Å; C375-V379 WeakPolarHBondContact O-CG2 3.31Å; C375-V379 PolarHBondContact O-N 3.45Å
376Y92Very high84.5Confident41 Ų4142.2 Ų42.216%0.16123%0.226CC..Hα-helixtrans-51.6-52.2-174.8179.5-94.4000112.3P318 F319 V320 P321 N374 L378 V379 L380 V455 Y458P318-Y376 PolarHBondContact O-N 3Å; P318-Y376 VanDerWaalsContact O-N 3.15Å; F319-Y376 VanDerWaalsContact O-CD2 3.3Å; F319-Y376 WeakPolarHBondContact O-CD2 3.45Å; V320-Y376 VanDerWaalsContact O-CB 3.32Å; V320-Y376 WeakPolarHBondContact O-CB 3.3Å; P321-Y376 HydrophobicContact CB-CD1 4.31Å; P321-Y376 HydrophobicContact CB-CE1 4.29Å; P321-Y376 HydrophobicContact CG-CD1 4.24Å; P321-Y376 HydrophobicContact CG-CD2 4.03Å; P321-Y376 HydrophobicContact CG-CE1 3.93Å; P321-Y376 HydrophobicContact CG-CE2 3.71Å; P321-Y376 HydrophobicContact CG-CG 4.3Å; N374-Y376 WeakPolarHBondContact OD1-CB 3.49Å; N374-Y376 PolarHBondContact OD1-N 3.34Å; N374-Y376 VanDerWaalsContact OD1-N 3.09Å; Y376-L378 PolarHBondContact O-N 3.39Å; Y376-V379 PolarHBondContact O-N 3.44Å; Y376-L380 HydrophobicContact CD1-CD1 4.14Å; Y376-L380 HydrophobicContact CE1-CD1 3.67Å; Y376-L380 WeakPolarHBondContact O-CG 3.33Å; Y376-L380 PolarHBondContact O-N 2.92Å; Y376-V455 HydrophobicContact CD2-CG1 3.59Å; Y376-V455 HydrophobicContact CE2-CB 4.45Å; Y376-V455 HydrophobicContact CE2-CG1 3.49Å; Y376-V455 VanDerWaalsContact CE2-CG1 3.49Å; Y376-V455 HydrophobicContact CG-CG1 4.31Å; Y376-Y458 HydrophobicContact CE2-CG 4.27Å
377A87.7Confident83.4Confident61 Ų6141.8 Ų41.850%0.50422%0.222SC..Hα-helixtrans-66.9-35.3177.700000113C375 L380 S381C375-A377 PolarHBondContact O-N 2.93Å; A377-L380 PolarHBondContact O-N 3.28Å; A377-S381 PolarHBondContact O-N 2.88Å
378L82.6Confident82.3Confident12 Ų1236 Ų366%0.06320%0.198CC..Hα-helixtrans-68.2-35.9179.2-68.4172.5000112.1K277 C375 Y376 L380 S381 E383 Y384K277-L378 HydrophobicContact CD-CD1 4.3Å; K277-L378 HydrophobicContact CG-CD1 4.38Å; C375-L378 WeakPolarHBondContact O-CA 3.46Å; C375-L378 WeakPolarHBondContact O-CB 3.23Å; C375-L378 PolarHBondContact O-N 2.93Å; Y376-L378 PolarHBondContact O-N 3.39Å; L378-L380 VanDerWaalsContact C-N 3.33Å; L378-S381 CarbonylContact O-C 3.17Å; L378-S381 WeakPolarHBondContact O-CA 3.3Å; L378-S381 WeakPolarHBondContact O-CB 3.48Å; L378-S381 PolarHBondContact O-N 2.63Å; L378-S381 VanDerWaalsContact O-N 3.14Å; L378-S381 PolarHBondContact O-OG 2.94Å; L378-E383 HydrophobicContact CD2-CB 4.22Å; L378-E383 VanDerWaalsContact CD2-OE2 3.3Å; L378-E383 WeakPolarHBondContact CD2-OE2 3.31Å; L378-Y384 WeakPolarHBondContact O-CB 3.48Å
379V85.4Confident81.2Confident3 Ų336 Ų362%0.01820%0.199CC..Hα-helixtrans-68.5-35.3177.2174.20000111.3F319 C375 Y376 S381 Y384 I451 R452 V455F319-V379 HydrophobicContact CD1-CG2 3.75Å; F319-V379 HydrophobicContact CE1-CG2 3.62Å; C375-V379 HydrophobicContact CB-CG2 4.25Å; C375-V379 WeakPolarHBondContact O-CG2 3.31Å; C375-V379 PolarHBondContact O-N 3.45Å; Y376-V379 PolarHBondContact O-N 3.44Å; V379-S381 VanDerWaalsContact C-N 3.28Å; V379-Y384 HydrophobicContact CB-CD1 4.17Å; V379-Y384 HydrophobicContact CB-CG 4.43Å; V379-Y384 HydrophobicContact CG1-CD1 4.22Å; V379-Y384 HydrophobicContact CG2-CD1 3.52Å; V379-Y384 HydrophobicContact CG2-CD2 4.01Å; V379-Y384 HydrophobicContact CG2-CE1 3.71Å; V379-Y384 HydrophobicContact CG2-CE2 4.26Å; V379-Y384 HydrophobicContact CG2-CG 3.7Å; V379-I451 HydrophobicContact CG1-CG2 4.13Å; V379-R452 HydrophobicContact CG1-CB 4.05Å; V379-R452 HydrophobicContact CG1-CG 4.41Å; V379-R452 PolarHBondContact O-NH1 3.07Å; V379-V455 HydrophobicContact CB-CG1 4.49Å; V379-V455 HydrophobicContact CB-CG2 4.41Å; V379-V455 HydrophobicContact CG1-CB 4.18Å; V379-V455 HydrophobicContact CG1-CG1 4.3Å; V379-V455 HydrophobicContact CG1-CG2 3.89Å
380L83.4Confident80.2Confident60 Ų6034.9 Ų34.931%0.31419%0.19SC..Hα-helixtrans-69.9-29.3171.9-66175.4000111.4Y376 A377 L378 R452 V455 T456Y376-L380 HydrophobicContact CD1-CD1 4.14Å; Y376-L380 HydrophobicContact CE1-CD1 3.67Å; Y376-L380 WeakPolarHBondContact O-CG 3.33Å; Y376-L380 PolarHBondContact O-N 2.92Å; A377-L380 PolarHBondContact O-N 3.28Å; L378-L380 VanDerWaalsContact C-N 3.33Å; L380-R452 VanDerWaalsContact O-CZ 3.28Å; L380-R452 PolarHBondContact O-NH1 3.26Å; L380-R452 PolarHBondContact O-NH2 2.89Å; L380-V455 HydrophobicContact CD1-CG1 4.34Å; L380-V455 HydrophobicContact CD2-CG1 3.75Å; L380-V455 HydrophobicContact CG-CG1 3.79Å; L380-T456 HydrophobicContact CD2-CG2 3.61Å
381S75.4Confident79.2Confident37 Ų3736 Ų3626%0.25919%0.193SC..SBendtrans-77.6-179.9170.499.90000111.8A377 L378 V379 E383 R452A377-S381 PolarHBondContact O-N 2.88Å; L378-S381 CarbonylContact O-C 3.17Å; L378-S381 WeakPolarHBondContact O-CA 3.3Å; L378-S381 WeakPolarHBondContact O-CB 3.48Å; L378-S381 PolarHBondContact O-N 2.63Å; L378-S381 VanDerWaalsContact O-N 3.14Å; L378-S381 PolarHBondContact O-OG 2.94Å; V379-S381 VanDerWaalsContact C-N 3.28Å; S381-E383 VanDerWaalsContact C-N 3.34Å; S381-E383 VanDerWaalsContact OG-CB 3.31Å; S381-E383 WeakPolarHBondContact OG-CB 3.38Å; S381-E383 WeakPolarHBondContact OG-CG 3.4Å; S381-E383 PolarHBondContact OG-N 3.44Å; S381-R452 PolarHBondContact O-NH1 2.64Å
382T66Low78.4Confident108 Ų10831.9 Ų31.966%0.66318%0.175SC*.SBendtrans-92.51.5174510000112.2
383E67.4Low78Confident62 Ų6231.8 Ų31.829%0.2917%0.172SC..G310 helixtrans-79.9-24.9-171.7-63.3-179.1144.200113M188 L378 S381 E385 K386M188-E383 HydrophobicContact CE-CB 4.04Å; M188-E383 HydrophobicContact CE-CG 3.96Å; L378-E383 HydrophobicContact CD2-CB 4.22Å; L378-E383 VanDerWaalsContact CD2-OE2 3.3Å; L378-E383 WeakPolarHBondContact CD2-OE2 3.31Å; S381-E383 VanDerWaalsContact C-N 3.34Å; S381-E383 VanDerWaalsContact OG-CB 3.31Å; S381-E383 WeakPolarHBondContact OG-CB 3.38Å; S381-E383 WeakPolarHBondContact OG-CG 3.4Å; S381-E383 PolarHBondContact OG-N 3.44Å; E383-E385 PolarHBondContact O-N 3.02Å; E383-K386 WeakPolarHBondContact O-CB 3.41Å; E383-K386 PolarHBondContact O-N 2.73Å
384Y68.5Low77.5Confident17 Ų1732.7 Ų32.77%0.06718%0.177CC..G310 helixtrans-60.9-28.6-179-174-131.8000113.9L280 F319 L378 V379 K386 D387 H448 I451L280-Y384 HydrophobicContact CD2-CE2 4.1Å; L280-Y384 WeakPolarHBondContact CD2-OH 3.32Å; F319-Y384 HydrophobicContact CE1-CE1 4.07Å; F319-Y384 HydrophobicContact CE1-CE2 4.33Å; F319-Y384 AromaticContact CE1-CZ 3.73Å; F319-Y384 HydrophobicContact CZ-CE2 4.47Å; F319-Y384 AromaticContact CZ-CZ 3.91Å; F319-Y384 VanDerWaalsContact CZ-OH 3.29Å; F319-Y384 WeakPolarHBondContact CZ-OH 3.4Å; L378-Y384 WeakPolarHBondContact O-CB 3.48Å; V379-Y384 HydrophobicContact CB-CD1 4.17Å; V379-Y384 HydrophobicContact CB-CG 4.43Å; V379-Y384 HydrophobicContact CG1-CD1 4.22Å; V379-Y384 HydrophobicContact CG2-CD1 3.52Å; V379-Y384 HydrophobicContact CG2-CD2 4.01Å; V379-Y384 HydrophobicContact CG2-CE1 3.71Å; V379-Y384 HydrophobicContact CG2-CE2 4.26Å; V379-Y384 HydrophobicContact CG2-CG 3.7Å; Y384-K386 PolarHBondContact O-N 3.12Å; Y384-D387 PolarHBondContact O-N 3.34Å; Y384-H448 AromaticContact CD1-CE1 3.12Å; Y384-H448 WeakPolarHBondContact CD1-CE1 3.42Å; Y384-H448 AromaticContact CD1-ND1 3.13Å; Y384-H448 WeakPolarHBondContact CD1-ND1 3.48Å; Y384-H448 AromaticContact CE1-CE1 3.04Å; Y384-H448 WeakPolarHBondContact CE1-CE1 3.1Å; Y384-H448 AromaticContact CE1-ND1 2.89Å; Y384-H448 WeakPolarHBondContact CE1-ND1 3.22Å; Y384-H448 AromaticContact CG-CE1 3.72Å; Y384-H448 AromaticContact CZ-CE1 3.49Å; Y384-H448 VanDerWaalsContact CZ-CE1 3.49Å; Y384-H448 AromaticContact CZ-ND1 3.71Å; Y384-I451 HydrophobicContact CE1-CG2 4.39Å
385E68.5Low76.9Confident118 Ų11835.4 Ų35.455%0.55119%0.189SC*.G310 helixtrans-62.9-23.8176.5-65.2-172.8176.400112.9E383E383-E385 PolarHBondContact O-N 3.02Å
386K71.8Confident76.8Confident25 Ų2537.6 Ų37.611%0.10920%0.198CC..Hα-helixtrans-73.7-30.2-176.9-60.7172.2-176.8168.50112.3M188 F190 V211 P216 E383 Y384 V388 V389 L390M188-K386 HydrophobicContact CE-CD 4.33Å; M188-K386 HydrophobicContact SD-CD 3.42Å; M188-K386 WeakPolarHBondContact SD-CD 3.18Å; F190-K386 HydrophobicContact CZ-CB 3.78Å; F190-K386 HydrophobicContact CZ-CD 4.21Å; V211-K386 HydrophobicContact CG2-CD 4.45Å; P216-K386 HydrophobicContact CG-CB 4.05Å; E383-K386 WeakPolarHBondContact O-CB 3.41Å; E383-K386 PolarHBondContact O-N 2.73Å; Y384-K386 PolarHBondContact O-N 3.12Å; K386-V388 PolarHBondContact O-N 3.29Å; K386-V389 PolarHBondContact O-N 3.23Å; K386-L390 WeakPolarHBondContact O-CG 3.16Å; K386-L390 PolarHBondContact O-N 3.12Å
387D69.8Low76.6Confident9 Ų935.6 Ų35.65%0.04819%0.19CC..Hα-helixtrans-57.4-27.6-177.6-160.537.7000112.6M256 C279 L280 Y384 L390 K391M256-D387 HydrophobicContact CE-CB 4.16Å; M256-D387 WeakPolarHBondContact CE-OD1 3.38Å; C279-D387 PolarHBondContact SG-OD1 2.67Å; L280-D387 VanDerWaalsContact CB-OD2 3.27Å; L280-D387 WeakPolarHBondContact CB-OD2 3.46Å; L280-D387 PolarHBondContact N-OD2 3.16Å; Y384-D387 PolarHBondContact O-N 3.34Å; D387-L390 WeakPolarHBondContact O-CB 3.28Å; D387-L390 PolarHBondContact O-N 2.85Å; D387-K391 PolarHBondContact O-N 3.23Å
388V68Low76.6Confident10 Ų1034.6 Ų34.66%0.06118%0.175CC..Hα-helixtrans-93.8-31.4-171.7171.30000112.1I114 K386 L390 K391 G392 Y444I114-V388 HydrophobicContact CD1-CG1 3.51Å; K386-V388 PolarHBondContact O-N 3.29Å; V388-L390 PolarHBondContact O-N 2.8Å; V388-K391 WeakPolarHBondContact O-CB 3.43Å; V388-K391 PolarHBondContact O-N 3.4Å; V388-K391 VanDerWaalsContact O-N 3.17Å; V388-G392 PolarHBondContact O-N 3.28Å; V388-G392 VanDerWaalsContact O-N 3.11Å; V388-Y444 HydrophobicContact CB-CD1 4.05Å; V388-Y444 HydrophobicContact CB-CE1 3.26Å; V388-Y444 HydrophobicContact CB-CE2 4.48Å; V388-Y444 HydrophobicContact CG1-CD1 3.34Å; V388-Y444 HydrophobicContact CG1-CD2 4.08Å; V388-Y444 HydrophobicContact CG1-CE1 3.03Å; V388-Y444 HydrophobicContact CG1-CE2 3.92Å; V388-Y444 HydrophobicContact CG1-CG 3.88Å; V388-Y444 VanDerWaalsContact CG1-CZ 3.5Å; V388-Y444 HydrophobicContact CG2-CD1 4.28Å; V388-Y444 HydrophobicContact CG2-CE1 3.12Å; V388-Y444 HydrophobicContact CG2-CE2 3.9Å; V388-Y444 WeakPolarHBondContact CG2-OH 2.95Å
389V70Confident76.9Confident7 Ų736.2 Ų36.24%0.04219%0.185CC..Hα-helixtrans-58.3-35.3166.3-1720000109.3I114 P216 K386 G392 W393 P438I114-V389 HydrophobicContact CG2-CG2 4.43Å; P216-V389 HydrophobicContact CB-CG1 4.48Å; P216-V389 HydrophobicContact CG-CB 4.09Å; P216-V389 HydrophobicContact CG-CG1 4.23Å; K386-V389 PolarHBondContact O-N 3.23Å; V389-G392 PolarHBondContact O-N 3Å; V389-W393 PolarHBondContact O-N 2.97Å; V389-P438 HydrophobicContact CB-CG 4.44Å; V389-P438 HydrophobicContact CG1-CB 4.05Å; V389-P438 HydrophobicContact CG1-CG 4.2Å; V389-P438 HydrophobicContact CG2-CB 3.78Å; V389-P438 HydrophobicContact CG2-CG 3.36Å
390L73.3Confident77.1Confident17 Ų1736.8 Ų36.89%0.08919%0.188CC..Hα-helixtrans-69.1-41.8173.9-56.9162.7000113.2F190 Y209 P216 K386 D387 V388 G392 W393 H394F190-L390 HydrophobicContact CB-CD1 4.18Å; F190-L390 HydrophobicContact CB-CD2 3.55Å; F190-L390 HydrophobicContact CB-CG 4.47Å; F190-L390 HydrophobicContact CD1-CD1 2.96Å; F190-L390 HydrophobicContact CD1-CD2 3.74Å; F190-L390 HydrophobicContact CD1-CG 3.85Å; F190-L390 HydrophobicContact CD2-CD1 4.35Å; F190-L390 HydrophobicContact CD2-CD2 3.64Å; F190-L390 HydrophobicContact CD2-CG 4.43Å; F190-L390 HydrophobicContact CE1-CD1 3.2Å; F190-L390 HydrophobicContact CE1-CD2 4.32Å; F190-L390 HydrophobicContact CE1-CG 4.11Å; F190-L390 HydrophobicContact CE2-CD1 4.5Å; F190-L390 HydrophobicContact CE2-CD2 4.21Å; F190-L390 HydrophobicContact CG-CD1 3.6Å; F190-L390 HydrophobicContact CG-CD2 3.34Å; F190-L390 HydrophobicContact CG-CG 4Å; F190-L390 HydrophobicContact CZ-CD1 3.98Å; F190-L390 HydrophobicContact CZ-CG 4.48Å; Y209-L390 HydrophobicContact CG-CD2 4.44Å; P216-L390 HydrophobicContact CB-CD2 3.78Å; P216-L390 HydrophobicContact CG-CD2 4.21Å; P216-L390 HydrophobicContact CG-CG 4.44Å; K386-L390 WeakPolarHBondContact O-CG 3.16Å; K386-L390 PolarHBondContact O-N 3.12Å; D387-L390 WeakPolarHBondContact O-CB 3.28Å; D387-L390 PolarHBondContact O-N 2.85Å; V388-L390 PolarHBondContact O-N 2.8Å; L390-G392 PolarHBondContact O-N 3.09Å; L390-W393 CarbonylContact O-C 3.55Å; L390-W393 WeakPolarHBondContact O-CA 3.28Å; L390-W393 WeakPolarHBondContact O-CB 3.32Å; L390-W393 PolarHBondContact O-N 3.06Å; L390-H394 WeakPolarHBondContact O-CB 3.48Å; L390-H394 PolarHBondContact O-N 3.41Å
391K74.6Confident77.4Confident42 Ų4234 Ų3418%0.18317%0.173CC..Hα-helixtrans-51.3-47.7172.8-178.2-175.2173.6-173.50110.5V111 F281 D387 V388 W393 H394 E395V111-K391 HydrophobicContact CG1-CD 4.46Å; V111-K391 HydrophobicContact CG1-CG 4.4Å; F281-K391 HydrophobicContact CD2-CD 4.06Å; F281-K391 HydrophobicContact CD2-CG 3.95Å; F281-K391 HydrophobicContact CE2-CD 4.43Å; F281-K391 HydrophobicContact CE2-CG 4.23Å; F281-K391 HydrophobicContact CG-CG 4.5Å; D387-K391 PolarHBondContact O-N 3.23Å; V388-K391 WeakPolarHBondContact O-CB 3.43Å; V388-K391 PolarHBondContact O-N 3.4Å; V388-K391 VanDerWaalsContact O-N 3.17Å; K391-W393 VanDerWaalsContact C-N 3.34Å; K391-W393 PolarHBondContact O-N 3.42Å; K391-H394 PolarHBondContact O-N 2.82Å; K391-E395 WeakPolarHBondContact CE-OE1 3.49Å; K391-E395 WeakPolarHBondContact O-CG 3.44Å; K391-E395 PolarHBondContact O-N 2.75Å
392G74.7Confident78.1Confident3 Ų335.7 Ų35.73%0.03118%0.177CC..Hα-helixtrans-64-34.6176.500000114V115 V388 V389 L390 K396V115-G392 WeakPolarHBondContact CG2-O 3.42Å; V388-G392 PolarHBondContact O-N 3.28Å; V388-G392 VanDerWaalsContact O-N 3.11Å; V389-G392 PolarHBondContact O-N 3Å; L390-G392 PolarHBondContact O-N 3.09Å; G392-K396 VanDerWaalsContact O-CB 3.28Å; G392-K396 WeakPolarHBondContact O-CB 3.48Å; G392-K396 PolarHBondContact O-N 2.89Å
393W83Confident79.1Confident18 Ų1832.2 Ų32.27%0.06816%0.159CC..Hα-helixtrans-69.3-45.4172.8-81.3122.1000112.6Y209 P216 P218 V389 L390 K391 K396 F397Y209-W393 HydrophobicContact CD1-CG 4.36Å; Y209-W393 HydrophobicContact CE1-CB 3.71Å; Y209-W393 HydrophobicContact CE1-CD2 4.06Å; Y209-W393 HydrophobicContact CE1-CE3 4.5Å; Y209-W393 AromaticContact CE1-CG 3.7Å; Y209-W393 HydrophobicContact CE1-CG 3.7Å; P216-W393 PolarHBondContact O-NE1 3.4Å; P218-W393 VanDerWaalsContact CD-CZ2 3.44Å; P218-W393 HydrophobicContact CG-CE3 4.35Å; P218-W393 HydrophobicContact CG-CH2 3.76Å; P218-W393 HydrophobicContact CG-CZ2 4.16Å; P218-W393 HydrophobicContact CG-CZ3 3.86Å; V389-W393 PolarHBondContact O-N 2.97Å; L390-W393 CarbonylContact O-C 3.55Å; L390-W393 WeakPolarHBondContact O-CA 3.28Å; L390-W393 WeakPolarHBondContact O-CB 3.32Å; L390-W393 PolarHBondContact O-N 3.06Å; K391-W393 VanDerWaalsContact C-N 3.34Å; K391-W393 PolarHBondContact O-N 3.42Å; W393-K396 HydrophobicContact CE3-CD 4.11Å; W393-K396 HydrophobicContact CZ3-CD 4.07Å; W393-K396 PolarHBondContact O-N 3.38Å; W393-F397 HydrophobicContact CD2-CE2 4.25Å; W393-F397 AromaticContact CE3-CD2 3.84Å; W393-F397 HydrophobicContact CE3-CD2 3.84Å; W393-F397 AromaticContact CE3-CE2 3.3Å; W393-F397 HydrophobicContact CE3-CE2 3.3Å; W393-F397 HydrophobicContact CE3-CZ 4.17Å; W393-F397 HydrophobicContact CZ3-CD2 4.48Å; W393-F397 AromaticContact CZ3-CE2 3.62Å; W393-F397 HydrophobicContact CZ3-CE2 3.62Å; W393-F397 HydrophobicContact CZ3-CZ 4.03Å; W393-F397 WeakPolarHBondContact O-CD2 3.45Å; W393-F397 PolarHBondContact O-N 3.27Å
394H82.5Confident80Confident23 Ų2331 Ų3111%0.10615%0.153CC..Hα-helixtrans-58.1-53.1179-178.187.7000110.3D192 F281 L390 K391 K396 F397 Q398D192-H394 IonicContact OD1-CE1 2.77Å; D192-H394 IonicContact OD1-ND1 3.8Å; D192-H394 PolarHBondContact OD1-ND1 3.19Å; D192-H394 IonicContact OD2-CE1 2.67Å; D192-H394 IonicContact OD2-CG 3.87Å; D192-H394 IonicContact OD2-ND1 3.25Å; D192-H394 PolarHBondContact OD2-ND1 3.28Å; F281-H394 AromaticContact CE1-CD2 3.84Å; L390-H394 WeakPolarHBondContact O-CB 3.48Å; L390-H394 PolarHBondContact O-N 3.41Å; K391-H394 PolarHBondContact O-N 2.82Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 PolarHBondContact O-N 2.9Å; H394-F397 PolarHBondContact O-N 2.71Å; H394-Q398 WeakPolarHBondContact O-CB 3.49Å; H394-Q398 PolarHBondContact O-N 2.98Å
395E81Confident80.8Confident66 Ų6630.2 Ų30.231%0.30815%0.151SC..Hα-helixtrans-58.3-42.2178.1-71.7173.2-172.100112.5V111 K391 T399V111-E395 WeakPolarHBondContact CB-OE2 3.38Å; V111-E395 WeakPolarHBondContact CG1-OE2 3.43Å; K391-E395 WeakPolarHBondContact CE-OE1 3.49Å; K391-E395 WeakPolarHBondContact O-CG 3.44Å; K391-E395 PolarHBondContact O-N 2.75Å; E395-T399 WeakPolarHBondContact O-CB 3.11Å; E395-T399 PolarHBondContact O-N 3.2Å; E395-T399 PolarHBondContact O-OG1 3.08Å
396K86.5Confident81.5Confident50 Ų5028 Ų2822%0.21714%0.138CC..Hα-helixtrans-63.1-49.7177.2172.7177.9168.5-171.80111.6V115 G392 W393 H394 T399 L400 E418V115-K396 HydrophobicContact CG1-CD 3.97Å; V115-K396 HydrophobicContact CG2-CD 4.47Å; G392-K396 VanDerWaalsContact O-CB 3.28Å; G392-K396 WeakPolarHBondContact O-CB 3.48Å; G392-K396 PolarHBondContact O-N 2.89Å; W393-K396 HydrophobicContact CE3-CD 4.11Å; W393-K396 HydrophobicContact CZ3-CD 4.07Å; W393-K396 PolarHBondContact O-N 3.38Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 PolarHBondContact O-N 2.9Å; K396-T399 PolarHBondContact O-N 2.96Å; K396-L400 WeakPolarHBondContact O-CB 3.5Å; K396-L400 PolarHBondContact O-N 3.45Å; K396-E418 WeakPolarHBondContact CE-OE1 3.3Å; K396-E418 VanDerWaalsContact CE-OE2 3.24Å; K396-E418 WeakPolarHBondContact CE-OE2 3.46Å; K396-E418 IonicContact NZ-OE1 2.8Å; K396-E418 PolarHBondContact NZ-OE1 3.39Å; K396-E418 IonicContact NZ-OE2 2.74Å; K396-E418 PolarHBondContact NZ-OE2 3.05Å
397F89.7Confident82.2Confident0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-72.8-35-177.5-82.5-68000112.1M194 I207 Y209 P218 Y221 W393 H394 T399 L400 F401 L415 E418M194-F397 HydrophobicContact CE-CB 3.69Å; M194-F397 VanDerWaalsContact SD-C 3.52Å; M194-F397 HydrophobicContact SD-CB 3.69Å; I207-F397 HydrophobicContact CD1-CB 3.85Å; I207-F397 HydrophobicContact CD1-CD1 3.5Å; I207-F397 VanDerWaalsContact CD1-CD1 3.5Å; I207-F397 HydrophobicContact CD1-CD2 3.6Å; I207-F397 HydrophobicContact CD1-CE1 3.85Å; I207-F397 HydrophobicContact CD1-CE2 3.92Å; I207-F397 HydrophobicContact CD1-CG 3.37Å; I207-F397 HydrophobicContact CD1-CZ 4.06Å; Y209-F397 HydrophobicContact CE1-CD2 4.43Å; Y209-F397 HydrophobicContact CE1-CE2 4.09Å; Y209-F397 WeakPolarHBondContact OH-CD2 3.28Å; P218-F397 HydrophobicContact CB-CE2 3.94Å; P218-F397 HydrophobicContact CB-CZ 3.98Å; P218-F397 HydrophobicContact CG-CE2 3.97Å; P218-F397 HydrophobicContact CG-CZ 3.93Å; Y221-F397 HydrophobicContact CD1-CE1 4.47Å; Y221-F397 AromaticContact CE1-CE1 3.78Å; Y221-F397 HydrophobicContact CE1-CE1 3.78Å; Y221-F397 AromaticContact CE1-CZ 3.66Å; Y221-F397 HydrophobicContact CE1-CZ 3.66Å; W393-F397 HydrophobicContact CD2-CE2 4.25Å; W393-F397 AromaticContact CE3-CD2 3.84Å; W393-F397 HydrophobicContact CE3-CD2 3.84Å; W393-F397 AromaticContact CE3-CE2 3.3Å; W393-F397 HydrophobicContact CE3-CE2 3.3Å; W393-F397 HydrophobicContact CE3-CZ 4.17Å; W393-F397 HydrophobicContact CZ3-CD2 4.48Å; W393-F397 AromaticContact CZ3-CE2 3.62Å; W393-F397 HydrophobicContact CZ3-CE2 3.62Å; W393-F397 HydrophobicContact CZ3-CZ 4.03Å; W393-F397 WeakPolarHBondContact O-CD2 3.45Å; W393-F397 PolarHBondContact O-N 3.27Å; H394-F397 PolarHBondContact O-N 2.71Å; F397-T399 VanDerWaalsContact C-N 3.34Å; F397-T399 PolarHBondContact O-N 3.29Å; F397-L400 HydrophobicContact CD1-CD1 4.39Å; F397-L400 PolarHBondContact O-N 2.99Å; F397-F401 VanDerWaalsContact O-CB 3.22Å; F397-F401 WeakPolarHBondContact O-CB 3.24Å; F397-F401 PolarHBondContact O-N 3.04Å; F397-L415 HydrophobicContact CE1-CD2 4.3Å; F397-E418 HydrophobicContact CE1-CB 4.38Å; F397-E418 HydrophobicContact CE1-CG 4.16Å
398Q86.8Confident83Confident39 Ų3927.6 Ų27.618%0.18214%0.139CC..Hα-helixtrans-56.7-49.5170.1-1786329.300110.3H394 L400 F401 E402H394-Q398 WeakPolarHBondContact O-CB 3.49Å; H394-Q398 PolarHBondContact O-N 2.98Å; Q398-L400 PolarHBondContact O-N 2.64Å; Q398-F401 PolarHBondContact O-N 3.24Å; Q398-E402 PolarHBondContact NE2-OE1 3.14Å; Q398-E402 WeakPolarHBondContact O-CB 3.25Å; Q398-E402 VanDerWaalsContact O-CG 3.32Å; Q398-E402 WeakPolarHBondContact O-CG 3.36Å; Q398-E402 PolarHBondContact O-N 3.02Å
399T88Confident84Confident47 Ų4728.7 Ų28.729%0.28815%0.146SC..Hα-helixtrans-61.4-42.9177-60.10000112.2I125 E395 K396 F397 A403I125-T399 HydrophobicContact CD1-CG2 4.25Å; I125-T399 HydrophobicContact CG2-CG2 3.83Å; E395-T399 WeakPolarHBondContact O-CB 3.11Å; E395-T399 PolarHBondContact O-N 3.2Å; E395-T399 PolarHBondContact O-OG1 3.08Å; K396-T399 PolarHBondContact O-N 2.96Å; F397-T399 VanDerWaalsContact C-N 3.34Å; F397-T399 PolarHBondContact O-N 3.29Å; T399-A403 WeakPolarHBondContact O-CB 3.5Å; T399-A403 PolarHBondContact O-N 3.28Å
400L90.9Very high85Confident14 Ų1430.3 Ų30.37%0.07316%0.158CC..Hα-helixtrans-61.9-45.5176.2-178.7156.2000110.7K396 F397 Q398 A403 H404 L411 A414 L415 E418K396-L400 WeakPolarHBondContact O-CB 3.5Å; K396-L400 PolarHBondContact O-N 3.45Å; F397-L400 HydrophobicContact CD1-CD1 4.39Å; F397-L400 PolarHBondContact O-N 2.99Å; Q398-L400 PolarHBondContact O-N 2.64Å; L400-A403 PolarHBondContact O-N 3.4Å; L400-H404 WeakPolarHBondContact O-CB 3.47Å; L400-H404 PolarHBondContact O-CD2 3.46Å; L400-H404 PolarHBondContact O-N 3.28Å; L400-L411 HydrophobicContact CD2-CD1 3.81Å; L400-A414 HydrophobicContact CD1-CB 4.11Å; L400-A414 HydrophobicContact CD2-CB 3.88Å; L400-A414 HydrophobicContact CG-CB 4.01Å; L400-L415 HydrophobicContact CD2-CD2 4.41Å; L400-E418 HydrophobicContact CD1-CG 3.56Å
401F90.1Very high85.9Confident1 Ų129.5 Ų29.50%0.00415%0.154CC..Hα-helixtrans-68.1-44.8-177.6-174.7-130.3000111.5M194 A196 V202 L205 F397 Q398 A403 H404 Q405 L411M194-F401 HydrophobicContact CB-CD1 4.04Å; M194-F401 HydrophobicContact CB-CE1 4.49Å; M194-F401 HydrophobicContact CG-CB 4.07Å; M194-F401 HydrophobicContact CG-CD1 3.48Å; M194-F401 VanDerWaalsContact CG-CD1 3.48Å; M194-F401 HydrophobicContact CG-CE1 4Å; M194-F401 HydrophobicContact CG-CG 3.9Å; M194-F401 VanDerWaalsContact O-CE1 3.26Å; M194-F401 WeakPolarHBondContact O-CE1 3.27Å; M194-F401 HydrophobicContact SD-CB 3.84Å; M194-F401 HydrophobicContact SD-CD1 4.38Å; M194-F401 HydrophobicContact SD-CG 4.28Å; A196-F401 HydrophobicContact CB-CE1 4.01Å; A196-F401 HydrophobicContact CB-CZ 3.88Å; V202-F401 HydrophobicContact CB-CE2 4.39Å; V202-F401 HydrophobicContact CB-CZ 4.44Å; V202-F401 HydrophobicContact CG1-CE2 3.79Å; V202-F401 HydrophobicContact CG1-CZ 3.72Å; L205-F401 HydrophobicContact CB-CD2 3.91Å; L205-F401 HydrophobicContact CB-CE1 4.44Å; L205-F401 HydrophobicContact CB-CE2 3.9Å; L205-F401 HydrophobicContact CB-CG 4.23Å; L205-F401 HydrophobicContact CB-CZ 4.16Å; L205-F401 HydrophobicContact CD2-CB 4.35Å; L205-F401 HydrophobicContact CD2-CD2 4.24Å; L205-F401 HydrophobicContact CD2-CG 4.44Å; F397-F401 VanDerWaalsContact O-CB 3.22Å; F397-F401 WeakPolarHBondContact O-CB 3.24Å; F397-F401 PolarHBondContact O-N 3.04Å; Q398-F401 PolarHBondContact O-N 3.24Å; F401-A403 PolarHBondContact O-N 3.17Å; F401-H404 PolarHBondContact O-N 2.88Å; F401-Q405 HydrophobicContact CD2-CB 4.15Å; F401-Q405 HydrophobicContact CE2-CB 3.94Å; F401-Q405 HydrophobicContact CZ-CB 4.25Å; F401-Q405 WeakPolarHBondContact O-CA 3.43Å; F401-Q405 VanDerWaalsContact O-CB 3.24Å; F401-Q405 WeakPolarHBondContact O-CB 3.46Å; F401-Q405 WeakPolarHBondContact O-CG 3.33Å; F401-Q405 PolarHBondContact O-N 3.01Å; F401-L411 HydrophobicContact CD2-CD1 3.85Å; F401-L411 HydrophobicContact CD2-CD2 3.79Å; F401-L411 HydrophobicContact CD2-CG 4.5Å; F401-L411 HydrophobicContact CE2-CD2 3.63Å
402E88.2Confident86.7Confident74 Ų7427.5 Ų27.535%0.34615%0.145SC..Hα-helixtrans-56.2-37.6174.7-76.6174.3-174.500112.8Q398 Y406Q398-E402 PolarHBondContact NE2-OE1 3.14Å; Q398-E402 WeakPolarHBondContact O-CB 3.25Å; Q398-E402 VanDerWaalsContact O-CG 3.32Å; Q398-E402 WeakPolarHBondContact O-CG 3.36Å; Q398-E402 PolarHBondContact O-N 3.02Å; E402-Y406 WeakPolarHBondContact O-CE2 3.41Å
403A87.5Confident87.6Confident34 Ų3431.5 Ų31.528%0.28116%0.163SC..Hα-helixtrans-73.6-24178.800000113.7T399 L400 F401T399-A403 WeakPolarHBondContact O-CB 3.5Å; T399-A403 PolarHBondContact O-N 3.28Å; L400-A403 PolarHBondContact O-N 3.4Å; F401-A403 PolarHBondContact O-N 3.17Å
404H87.8Confident88.1Confident36 Ų3631.2 Ų31.217%0.16717%0.165CC..Hα-helixtrans-124-8-168.3-66.6-60.6000115.3L400 F401 Y406 S407 L411L400-H404 WeakPolarHBondContact O-CB 3.47Å; L400-H404 PolarHBondContact O-CD2 3.46Å; L400-H404 PolarHBondContact O-N 3.28Å; F401-H404 PolarHBondContact O-N 2.88Å; H404-Y406 PolarHBondContact O-N 2.92Å; H404-S407 PolarHBondContact O-N 3.42Å; H404-S407 VanDerWaalsContact O-N 3.08Å; H404-S407 VanDerWaalsContact O-O 3.09Å; H404-L411 HydrophobicContact CB-CB 4.07Å; H404-L411 HydrophobicContact CB-CD1 4.08Å
405Q84.8Confident88.7Confident2 Ų230.1 Ų30.11%0.00916%0.159CC..THydrogen-bonded Turntrans-56.1-22.9-176.359178.1-37.700114.4A196 T197 S199 F401 S407A196-Q405 VanDerWaalsContact CA-OE1 3.24Å; A196-Q405 VanDerWaalsContact CB-OE1 3.29Å; T197-Q405 PolarHBondContact OG1-NE2 2.96Å; T197-Q405 VanDerWaalsContact OG1-NE2 3.12Å; S199-Q405 VanDerWaalsContact CB-O 3.32Å; S199-Q405 WeakPolarHBondContact CB-O 3.4Å; S199-Q405 PolarHBondContact OG-O 3.44Å; F401-Q405 HydrophobicContact CD2-CB 4.15Å; F401-Q405 HydrophobicContact CE2-CB 3.94Å; F401-Q405 HydrophobicContact CZ-CB 4.25Å; F401-Q405 WeakPolarHBondContact O-CA 3.43Å; F401-Q405 VanDerWaalsContact O-CB 3.24Å; F401-Q405 WeakPolarHBondContact O-CB 3.46Å; F401-Q405 WeakPolarHBondContact O-CG 3.33Å; F401-Q405 PolarHBondContact O-N 3.01Å; Q405-S407 VanDerWaalsContact C-N 3.3Å; Q405-S407 PolarHBondContact O-N 2.88Å
406Y83.1Confident89.4Confident70 Ų7028.6 Ų28.628%0.27515%0.152SC..THydrogen-bonded Turntrans-79.3-8.9-178.4-49.6-76.1000114.3N198 E402 H404N198-Y406 HydrophobicContact CB-CE1 4.22Å; N198-Y406 VanDerWaalsContact O-CE1 3.31Å; N198-Y406 WeakPolarHBondContact O-CE1 3.43Å; E402-Y406 WeakPolarHBondContact O-CE2 3.41Å; H404-Y406 PolarHBondContact O-N 2.92Å
407S86.2Confident89.7Confident27 Ų2729.8 Ų29.819%0.18916%0.161CC..  trans-145.5108.4178.9172.30000109.5H404 Q405 C409 S410 L411H404-S407 PolarHBondContact O-N 3.42Å; H404-S407 VanDerWaalsContact O-N 3.08Å; H404-S407 VanDerWaalsContact O-O 3.09Å; Q405-S407 VanDerWaalsContact C-N 3.3Å; Q405-S407 PolarHBondContact O-N 2.88Å; S407-C409 PolarHBondContact O-N 3.24Å; S407-S410 VanDerWaalsContact CB-OG 3.28Å; S407-S410 WeakPolarHBondContact CB-OG 3.39Å; S407-S410 WeakPolarHBondContact O-CA 3.29Å; S407-S410 WeakPolarHBondContact O-CB 3.46Å; S407-S410 PolarHBondContact O-N 2.94Å; S407-S410 PolarHBondContact OG-N 2.96Å; S407-S410 PolarHBondContact OG-OG 3.41Å; S407-L411 PolarHBondContact O-N 2.9Å
408L87.2Confident89.8Confident0 Ų030.1 Ų30.10%016%0.162CC..Hα-helixtrans-53-43.3177.1-179.164.1000112.2L140 I143 I145 L172 V202 I223 S410 L411 V412L140-L408 HydrophobicContact CD1-CD1 3.84Å; L140-L408 HydrophobicContact CD1-CD2 3.3Å; L140-L408 HydrophobicContact CD1-CG 4.13Å; I143-L408 HydrophobicContact CB-CD2 3.96Å; I143-L408 HydrophobicContact CD1-CB 4.18Å; I143-L408 HydrophobicContact CD1-CD2 4.2Å; I143-L408 HydrophobicContact CG2-CD2 3.69Å; I145-L408 HydrophobicContact CD1-CD2 3.36Å; I145-L408 HydrophobicContact CD1-CG 3.97Å; L172-L408 HydrophobicContact CD1-CD1 3.96Å; L172-L408 HydrophobicContact CD1-CD2 3.97Å; L172-L408 HydrophobicContact CD1-CG 4.43Å; V202-L408 HydrophobicContact CG2-CD1 4.06Å; I223-L408 HydrophobicContact CD1-CD1 3.7Å; I223-L408 HydrophobicContact CG2-CD1 4.01Å; L408-S410 VanDerWaalsContact C-N 3.34Å; L408-S410 PolarHBondContact O-N 3.06Å; L408-L411 PolarHBondContact O-N 3.01Å; L408-V412 HydrophobicContact CD1-CG2 4.23Å; L408-V412 HydrophobicContact CG-CG2 4.46Å; L408-V412 VanDerWaalsContact O-CG2 3.28Å; L408-V412 WeakPolarHBondContact O-CG2 3.49Å; L408-V412 PolarHBondContact O-N 3.04Å
409C88.7Confident90.2Very high32 Ų3228.4 Ų28.422%0.21615%0.154CC..Hα-helixtrans-59.5-44.7175.6-74.10000111.9L149 S407 L411 V412 E413L149-C409 HydrophobicContact CD1-CB 3.86Å; S407-C409 PolarHBondContact O-N 3.24Å; C409-L411 VanDerWaalsContact C-N 3.34Å; C409-V412 PolarHBondContact O-N 3.48Å; C409-E413 WeakPolarHBondContact O-CB 3.23Å; C409-E413 VanDerWaalsContact O-CG 3.3Å; C409-E413 WeakPolarHBondContact O-CG 3.37Å; C409-E413 PolarHBondContact O-N 2.85Å
410S90Very high90.4Very high41 Ų4129.2 Ų29.229%0.28715%0.152SC..Hα-helixtrans-66-38.7178.8-56.30000111.7S407 L408 E413 A414S407-S410 VanDerWaalsContact CB-OG 3.28Å; S407-S410 WeakPolarHBondContact CB-OG 3.39Å; S407-S410 WeakPolarHBondContact O-CA 3.29Å; S407-S410 WeakPolarHBondContact O-CB 3.46Å; S407-S410 PolarHBondContact O-N 2.94Å; S407-S410 PolarHBondContact OG-N 2.96Å; S407-S410 PolarHBondContact OG-OG 3.41Å; L408-S410 VanDerWaalsContact C-N 3.34Å; L408-S410 PolarHBondContact O-N 3.06Å; S410-E413 PolarHBondContact O-N 3.26Å; S410-A414 PolarHBondContact O-N 2.82Å
411L92.2Very high90.4Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-63.2-48.9175.4179.557.7000111.1V202 L205 I223 L400 F401 H404 S407 L408 C409 E413 A414 L415V202-L411 HydrophobicContact CG2-CD2 4.25Å; L205-L411 HydrophobicContact CD2-CD1 4.4Å; I223-L411 HydrophobicContact CD1-CD2 3.85Å; I223-L411 HydrophobicContact CD1-CG 4.23Å; I223-L411 HydrophobicContact CG1-CD2 4.45Å; L400-L411 HydrophobicContact CD2-CD1 3.81Å; F401-L411 HydrophobicContact CD2-CD1 3.85Å; F401-L411 HydrophobicContact CD2-CD2 3.79Å; F401-L411 HydrophobicContact CD2-CG 4.5Å; F401-L411 HydrophobicContact CE2-CD2 3.63Å; H404-L411 HydrophobicContact CB-CB 4.07Å; H404-L411 HydrophobicContact CB-CD1 4.08Å; S407-L411 PolarHBondContact O-N 2.9Å; L408-L411 PolarHBondContact O-N 3.01Å; C409-L411 VanDerWaalsContact C-N 3.34Å; L411-E413 VanDerWaalsContact C-N 3.32Å; L411-E413 PolarHBondContact O-N 3.18Å; L411-A414 WeakPolarHBondContact O-CB 3.45Å; L411-A414 PolarHBondContact O-N 3.4Å; L411-A414 VanDerWaalsContact O-N 3.14Å; L411-L415 HydrophobicContact CD1-CG 4.46Å; L411-L415 HydrophobicContact CG-CD1 4.46Å; L411-L415 WeakPolarHBondContact O-CG 3.46Å; L411-L415 PolarHBondContact O-N 3.33Å
412V93Very high90.4Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-64.8-36.1178.6177.60000111.5L149 F174 I223 L408 C409 L415 K416L149-V412 HydrophobicContact CB-CG1 3.81Å; L149-V412 HydrophobicContact CD1-CB 4.26Å; L149-V412 HydrophobicContact CD1-CG1 4.35Å; L149-V412 HydrophobicContact CG-CG1 4.49Å; F174-V412 HydrophobicContact CD1-CG1 4.28Å; F174-V412 HydrophobicContact CE1-CG1 3.5Å; F174-V412 HydrophobicContact CE1-CG2 4.12Å; F174-V412 HydrophobicContact CE2-CG2 3.91Å; F174-V412 HydrophobicContact CZ-CB 4.28Å; F174-V412 HydrophobicContact CZ-CG1 3.74Å; F174-V412 HydrophobicContact CZ-CG2 3.44Å; F174-V412 VanDerWaalsContact CZ-CG2 3.44Å; I223-V412 HydrophobicContact CD1-CG2 4.01Å; L408-V412 HydrophobicContact CD1-CG2 4.23Å; L408-V412 HydrophobicContact CG-CG2 4.46Å; L408-V412 VanDerWaalsContact O-CG2 3.28Å; L408-V412 WeakPolarHBondContact O-CG2 3.49Å; L408-V412 PolarHBondContact O-N 3.04Å; C409-V412 PolarHBondContact O-N 3.48Å; V412-L415 PolarHBondContact O-N 3.29Å; V412-K416 WeakPolarHBondContact O-CB 3.13Å; V412-K416 WeakPolarHBondContact O-CG 3.48Å; V412-K416 PolarHBondContact O-N 3.43Å
413E92.9Very high90.5Very high87 Ų8727.2 Ų27.241%0.40714%0.143SC..Hα-helixtrans-61-43.4171.9-76178-18000112R148 L149 C409 S410 L411 K416 D417R148-E413 IonicContact NE-OE1 3.56Å; R148-E413 IonicContact NH2-OE1 3.53Å; L149-E413 HydrophobicContact CD2-CG 3.42Å; L149-E413 VanDerWaalsContact CD2-CG 3.42Å; C409-E413 WeakPolarHBondContact O-CB 3.23Å; C409-E413 VanDerWaalsContact O-CG 3.3Å; C409-E413 WeakPolarHBondContact O-CG 3.37Å; C409-E413 PolarHBondContact O-N 2.85Å; S410-E413 PolarHBondContact O-N 3.26Å; L411-E413 VanDerWaalsContact C-N 3.32Å; L411-E413 PolarHBondContact O-N 3.18Å; E413-K416 WeakPolarHBondContact O-CB 3.28Å; E413-K416 PolarHBondContact O-N 2.66Å; E413-D417 PolarHBondContact O-N 3.29Å
414A93.7Very high90.6Very high12 Ų1230 Ų3010%0.09915%0.151CC..Hα-helixtrans-64.3-42.3175.300000112.1L400 S410 L411 K416 D417 E418L400-A414 HydrophobicContact CD1-CB 4.11Å; L400-A414 HydrophobicContact CD2-CB 3.88Å; L400-A414 HydrophobicContact CG-CB 4.01Å; S410-A414 PolarHBondContact O-N 2.82Å; L411-A414 WeakPolarHBondContact O-CB 3.45Å; L411-A414 PolarHBondContact O-N 3.4Å; L411-A414 VanDerWaalsContact O-N 3.14Å; A414-K416 VanDerWaalsContact C-N 3.31Å; A414-K416 PolarHBondContact O-N 3.26Å; A414-D417 PolarHBondContact O-N 3.01Å; A414-E418 PolarHBondContact O-N 2.93Å
415L95.1Very high90.5Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-62.4-36.7174.9-67.3179.8000112.2L205 Y221 I223 F397 L400 L411 V412 E418 Q419L205-L415 HydrophobicContact CD1-CD1 4.11Å; L205-L415 HydrophobicContact CD1-CD2 4.37Å; L205-L415 HydrophobicContact CD2-CD2 4.05Å; Y221-L415 HydrophobicContact CD1-CD2 3.77Å; Y221-L415 HydrophobicContact CE1-CD2 4.17Å; Y221-L415 HydrophobicContact CG-CD1 4.37Å; Y221-L415 HydrophobicContact CG-CD2 4.14Å; I223-L415 HydrophobicContact CD1-CD1 4.14Å; F397-L415 HydrophobicContact CE1-CD2 4.3Å; L400-L415 HydrophobicContact CD2-CD2 4.41Å; L411-L415 HydrophobicContact CD1-CG 4.46Å; L411-L415 HydrophobicContact CG-CD1 4.46Å; L411-L415 WeakPolarHBondContact O-CG 3.46Å; L411-L415 PolarHBondContact O-N 3.33Å; V412-L415 PolarHBondContact O-N 3.29Å; L415-E418 PolarHBondContact O-N 3.06Å; L415-Q419 WeakPolarHBondContact O-CB 3.14Å; L415-Q419 PolarHBondContact O-N 3.26Å
416K94.4Very high90.7Very high35 Ų3529 Ų2915%0.15215%0.148CC..Hα-helixtrans-65.1-42.1174-79.5-179.651.7152.80112.6R148 L149 V151 F158 V412 E413 A414 E418 Q419 R420R148-K416 PolarHBondContact O-NZ 2.75Å; L149-K416 HydrophobicContact CD2-CD 4.33Å; V151-K416 WeakPolarHBondContact O-CD 3.24Å; V151-K416 WeakPolarHBondContact O-CE 3.26Å; V151-K416 PolarHBondContact O-NZ 2.69Å; F158-K416 HydrophobicContact CD1-CD 4.34Å; F158-K416 HydrophobicContact CD1-CG 3.57Å; F158-K416 HydrophobicContact CE1-CB 4.42Å; F158-K416 HydrophobicContact CE1-CG 3.51Å; V412-K416 WeakPolarHBondContact O-CB 3.13Å; V412-K416 WeakPolarHBondContact O-CG 3.48Å; V412-K416 PolarHBondContact O-N 3.43Å; E413-K416 WeakPolarHBondContact O-CB 3.28Å; E413-K416 PolarHBondContact O-N 2.66Å; A414-K416 VanDerWaalsContact C-N 3.31Å; A414-K416 PolarHBondContact O-N 3.26Å; K416-E418 VanDerWaalsContact C-N 3.3Å; K416-Q419 PolarHBondContact O-N 2.8Å; K416-R420 PolarHBondContact O-N 2.91Å
417D92.8Very high91Very high75 Ų7528 Ų2840%0.40115%0.154SC..Hα-helixtrans-63.9-39.1175.3-87.6-25.3000111.1E413 A414 R420 N421E413-D417 PolarHBondContact O-N 3.29Å; A414-D417 PolarHBondContact O-N 3.01Å; D417-R420 PolarHBondContact O-N 2.63Å; D417-R420 IonicContact OD1-CZ 3.68Å; D417-R420 IonicContact OD1-NH1 3.97Å; D417-R420 PolarHBondContact OD1-NH1 2.88Å; D417-R420 IonicContact OD1-NH2 3.93Å; D417-R420 PolarHBondContact OD1-NH2 2.77Å; D417-N421 PolarHBondContact O-N 2.96Å; D417-N421 PolarHBondContact O-ND2 2.79Å
418E93.2Very high90.9Very high7 Ų728.7 Ų28.73%0.03315%0.154CC..Hα-helixtrans-64.8-45.4172.6-77.8-56.114300112.6K396 F397 L400 A414 L415 K416 R420 N421 N422K396-E418 WeakPolarHBondContact CE-OE1 3.3Å; K396-E418 VanDerWaalsContact CE-OE2 3.24Å; K396-E418 WeakPolarHBondContact CE-OE2 3.46Å; K396-E418 IonicContact NZ-OE1 2.8Å; K396-E418 PolarHBondContact NZ-OE1 3.39Å; K396-E418 IonicContact NZ-OE2 2.74Å; K396-E418 PolarHBondContact NZ-OE2 3.05Å; F397-E418 HydrophobicContact CE1-CB 4.38Å; F397-E418 HydrophobicContact CE1-CG 4.16Å; L400-E418 HydrophobicContact CD1-CG 3.56Å; A414-E418 PolarHBondContact O-N 2.93Å; L415-E418 PolarHBondContact O-N 3.06Å; K416-E418 VanDerWaalsContact C-N 3.3Å; E418-R420 VanDerWaalsContact C-N 3.3Å; E418-R420 PolarHBondContact O-N 3.32Å; E418-N421 WeakPolarHBondContact O-CB 3.31Å; E418-N421 PolarHBondContact O-N 3.36Å; E418-N421 VanDerWaalsContact O-N 3.09Å; E418-N422 VanDerWaalsContact O-CB 3.25Å; E418-N422 WeakPolarHBondContact O-CB 3.44Å; E418-N422 PolarHBondContact O-N 3.05Å
419Q94.8Very high90.7Very high2 Ų229.4 Ų29.41%0.00916%0.158CC..Hα-helixtrans-56.6-43.4174.6177.459.125.600111.4F158 N179 L415 K416 N421 N422 E423F158-Q419 HydrophobicContact CD2-CG 4.26Å; F158-Q419 HydrophobicContact CE2-CB 3.94Å; F158-Q419 HydrophobicContact CE2-CG 3.73Å; F158-Q419 HydrophobicContact CZ-CB 3.9Å; F158-Q419 HydrophobicContact CZ-CG 4.21Å; N179-Q419 PolarHBondContact ND2-NE2 2.93Å; N179-Q419 PolarHBondContact ND2-OE1 2.87Å; N179-Q419 PolarHBondContact OD1-NE2 3.44Å; L415-Q419 WeakPolarHBondContact O-CB 3.14Å; L415-Q419 PolarHBondContact O-N 3.26Å; K416-Q419 PolarHBondContact O-N 2.8Å; Q419-N421 PolarHBondContact O-N 3.25Å; Q419-N422 WeakPolarHBondContact O-CB 3.48Å; Q419-N422 PolarHBondContact O-N 2.79Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.3Å; Q419-E423 PolarHBondContact NE2-OE1 2.79Å; Q419-E423 WeakPolarHBondContact O-CG 3.12Å; Q419-E423 PolarHBondContact O-N 3.35Å
420R92.8Very high90.6Very high65 Ų6531.4 Ų31.425%0.24517%0.166CC..Hα-helixtrans-60.1-45.9174.6-177.7-175.668.3-138-12.1112L10 S153 K416 D417 E418 N422 Q424L10-R420 VanDerWaalsContact CD1-NH1 3.25Å; S153-R420 WeakPolarHBondContact OG-CG 3.29Å; K416-R420 PolarHBondContact O-N 2.91Å; D417-R420 PolarHBondContact O-N 2.63Å; D417-R420 IonicContact OD1-CZ 3.68Å; D417-R420 IonicContact OD1-NH1 3.97Å; D417-R420 PolarHBondContact OD1-NH1 2.88Å; D417-R420 IonicContact OD1-NH2 3.93Å; D417-R420 PolarHBondContact OD1-NH2 2.77Å; E418-R420 VanDerWaalsContact C-N 3.3Å; E418-R420 PolarHBondContact O-N 3.32Å; R420-N422 PolarHBondContact O-N 3.11Å; R420-Q424 PolarHBondContact O-N 2.91Å; R420-Q424 VanDerWaalsContact O-N 3.13Å
421N90.1Very high90Very high29 Ų2934.9 Ų34.916%0.15519%0.189CC..Hα-helixtrans-64.1-35.7178.7-66.6-26.1000111.4D417 E418 Q419 S425D417-N421 PolarHBondContact O-N 2.96Å; D417-N421 PolarHBondContact O-ND2 2.79Å; E418-N421 WeakPolarHBondContact O-CB 3.31Å; E418-N421 PolarHBondContact O-N 3.36Å; E418-N421 VanDerWaalsContact O-N 3.09Å; Q419-N421 PolarHBondContact O-N 3.25Å; N421-S425 PolarHBondContact O-N 3.45Å; N421-S425 PolarHBondContact O-OG 3.36Å
422N89.9Confident88.6Confident5 Ų540.8 Ų40.83%0.02721%0.214CC..Hα-helixtrans-69.3-48.3179.8-16351.5000111.7I217 P218 E418 Q419 R420 Q424 S425 I426I217-N422 WeakPolarHBondContact CG2-ND2 3.31Å; I217-N422 WeakPolarHBondContact CG2-OD1 3.15Å; P218-N422 PolarHBondContact O-ND2 3.2Å; E418-N422 VanDerWaalsContact O-CB 3.25Å; E418-N422 WeakPolarHBondContact O-CB 3.44Å; E418-N422 PolarHBondContact O-N 3.05Å; Q419-N422 WeakPolarHBondContact O-CB 3.48Å; Q419-N422 PolarHBondContact O-N 2.79Å; R420-N422 PolarHBondContact O-N 3.11Å; N422-Q424 VanDerWaalsContact C-N 3.3Å; N422-Q424 PolarHBondContact O-N 2.99Å; N422-S425 CarbonylContact O-C 3.52Å; N422-S425 WeakPolarHBondContact O-CA 3.08Å; N422-S425 WeakPolarHBondContact O-CB 3.33Å; N422-S425 PolarHBondContact O-N 3.48Å; N422-I426 WeakPolarHBondContact O-CG1 3.33Å; N422-I426 PolarHBondContact O-N 3.11Å
423E91.1Very high86.7Confident12 Ų1243.9 Ų43.96%0.05625%0.246CC..Hα-helixtrans-56-43.2173.2-73.5169.7-169.500112.1R154 Q419 S425 I426 A427R154-E423 VanDerWaalsContact CZ-CD 3.47Å; R154-E423 IonicContact CZ-OE1 2.64Å; R154-E423 IonicContact CZ-OE2 3.47Å; R154-E423 IonicContact NE-OE2 3.26Å; R154-E423 PolarHBondContact NE-OE2 2.85Å; R154-E423 IonicContact NH1-OE1 2.77Å; R154-E423 IonicContact NH1-OE2 2.73Å; R154-E423 PolarHBondContact NH1-OE2 3.49Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.3Å; Q419-E423 PolarHBondContact NE2-OE1 2.79Å; Q419-E423 WeakPolarHBondContact O-CG 3.12Å; Q419-E423 PolarHBondContact O-N 3.35Å; E423-S425 VanDerWaalsContact C-N 3.29Å; E423-S425 PolarHBondContact O-N 2.93Å; E423-I426 PolarHBondContact O-N 3.21Å; E423-A427 WeakPolarHBondContact O-CB 3.44Å; E423-A427 PolarHBondContact O-N 3Å
424Q88.1Confident84.6Confident93 Ų9342.2 Ų42.244%0.43525%0.247SC..Hα-helixtrans-61-41.7174.1-178.3179.4-3.400111.3R420 N422 A427 E428R420-Q424 PolarHBondContact O-N 2.91Å; R420-Q424 VanDerWaalsContact O-N 3.13Å; N422-Q424 VanDerWaalsContact C-N 3.3Å; N422-Q424 PolarHBondContact O-N 2.99Å; Q424-A427 PolarHBondContact O-N 3.22Å; Q424-E428 PolarHBondContact NE2-OE1 2.93Å; Q424-E428 WeakPolarHBondContact O-CB 3.49Å; Q424-E428 VanDerWaalsContact O-CG 3.3Å; Q424-E428 WeakPolarHBondContact O-CG 3.24Å; Q424-E428 PolarHBondContact O-N 3.39Å
425S86.2Confident82.5Confident17 Ų1748.2 Ų48.212%0.11927%0.271CS..Hα-helixtrans-67.3-41.2-179.4-55.40000111.3N421 N422 E423 E428 M429N421-S425 PolarHBondContact O-N 3.45Å; N421-S425 PolarHBondContact O-OG 3.36Å; N422-S425 CarbonylContact O-C 3.52Å; N422-S425 WeakPolarHBondContact O-CA 3.08Å; N422-S425 WeakPolarHBondContact O-CB 3.33Å; N422-S425 PolarHBondContact O-N 3.48Å; E423-S425 VanDerWaalsContact C-N 3.29Å; E423-S425 PolarHBondContact O-N 2.93Å; S425-E428 PolarHBondContact O-N 2.7Å; S425-M429 VanDerWaalsContact O-CE 3.31Å; S425-M429 WeakPolarHBondContact O-CE 3.2Å; S425-M429 WeakPolarHBondContact O-CG 3.16Å; S425-M429 PolarHBondContact O-N 3.4Å
426I89.1Confident80.4Confident1 Ų153.1 Ų53.11%0.00529%0.293CS..Hα-helixtrans-58.7-52.1172.6-70167.8000110.6Y182 L212 I217 N422 E423 E428 M429 L430Y182-I426 HydrophobicContact CD2-CD1 4.1Å; Y182-I426 HydrophobicContact CE1-CG2 4.34Å; Y182-I426 HydrophobicContact CE2-CD1 3.9Å; Y182-I426 HydrophobicContact CE2-CG2 3.7Å; Y182-I426 VanDerWaalsContact OH-CG2 3.26Å; Y182-I426 WeakPolarHBondContact OH-CG2 3.38Å; L212-I426 HydrophobicContact CD2-CB 4.33Å; L212-I426 HydrophobicContact CD2-CG1 4.1Å; L212-I426 HydrophobicContact CD2-CG2 3.82Å; I217-I426 HydrophobicContact CD1-CG1 3.81Å; I217-I426 HydrophobicContact CG2-CD1 4.03Å; I217-I426 HydrophobicContact CG2-CG1 4.19Å; N422-I426 WeakPolarHBondContact O-CG1 3.33Å; N422-I426 PolarHBondContact O-N 3.11Å; E423-I426 PolarHBondContact O-N 3.21Å; I426-E428 VanDerWaalsContact C-N 3.29Å; I426-E428 PolarHBondContact O-N 3.47Å; I426-M429 HydrophobicContact CG1-CE 4.43Å; I426-M429 WeakPolarHBondContact O-CB 3.34Å; I426-M429 PolarHBondContact O-N 3.21Å; I426-L430 HydrophobicContact CG2-CD1 3.95Å; I426-L430 HydrophobicContact CG2-CG 4.41Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 3.45Å
427A88.3Confident78.2Confident48 Ų4858.2 Ų58.240%0.39732%0.315SS..Hα-helixtrans-57.8-42.2178.700000111.8E423 Q424 M429 L430 C431E423-A427 WeakPolarHBondContact O-CB 3.44Å; E423-A427 PolarHBondContact O-N 3Å; Q424-A427 PolarHBondContact O-N 3.22Å; A427-M429 PolarHBondContact O-N 2.95Å; A427-L430 PolarHBondContact O-N 3Å; A427-C431 WeakPolarHBondContact O-CB 3.48Å; A427-C431 PolarHBondContact O-N 3.23Å; A427-C431 PolarHBondContact O-SG 3.41Å
428E84Confident75.9Confident42 Ų4256.1 Ų56.120%0.19631%0.305CS..Hα-helixtrans-63.2-39.2175.3-73.9176.1-162.300113.1Q424 S425 I426 K432 K436Q424-E428 PolarHBondContact NE2-OE1 2.93Å; Q424-E428 WeakPolarHBondContact O-CB 3.49Å; Q424-E428 VanDerWaalsContact O-CG 3.3Å; Q424-E428 WeakPolarHBondContact O-CG 3.24Å; Q424-E428 PolarHBondContact O-N 3.39Å; S425-E428 PolarHBondContact O-N 2.7Å; I426-E428 VanDerWaalsContact C-N 3.29Å; I426-E428 PolarHBondContact O-N 3.47Å; E428-K432 PolarHBondContact O-N 3.07Å; E428-K436 IonicContact OE2-NZ 2.93Å; E428-K436 PolarHBondContact OE2-NZ 3.35Å
429M83.6Confident73.7Confident14 Ų1457.6 Ų57.67%0.06932%0.317CS..Hα-helixtrans-67.4-35176.2-77.9-176.3-83.900112.6C215 I217 S425 I426 A427C215-M429 HydrophobicContact CB-SD 4.11Å; I217-M429 HydrophobicContact CD1-CE 3.22Å; I217-M429 HydrophobicContact CD1-SD 4.19Å; I217-M429 HydrophobicContact CG1-CE 4.11Å; S425-M429 VanDerWaalsContact O-CE 3.31Å; S425-M429 WeakPolarHBondContact O-CE 3.2Å; S425-M429 WeakPolarHBondContact O-CG 3.16Å; S425-M429 PolarHBondContact O-N 3.4Å; I426-M429 HydrophobicContact CG1-CE 4.43Å; I426-M429 WeakPolarHBondContact O-CB 3.34Å; I426-M429 PolarHBondContact O-N 3.21Å; A427-M429 PolarHBondContact O-N 2.95Å
430L86.1Confident71.6Confident74 Ų7458.1 Ų58.139%0.38732%0.321SS..Hα-helixtrans-76.8-43.6178.5-66177.4000112.3Y182 L212 I426 A427Y182-L430 WeakPolarHBondContact OH-CD1 3.41Å; L212-L430 HydrophobicContact CD1-CD2 4.43Å; I426-L430 HydrophobicContact CG2-CD1 3.95Å; I426-L430 HydrophobicContact CG2-CG 4.41Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 3.45Å; A427-L430 PolarHBondContact O-N 3Å
431C79.4Confident69.8Low114 Ų11455.8 Ų55.877%0.7732%0.316SS*.Hα-helixtrans-72.1-39.4-175.8-69.40000114A427 G433A427-C431 WeakPolarHBondContact O-CB 3.48Å; A427-C431 PolarHBondContact O-N 3.23Å; A427-C431 PolarHBondContact O-SG 3.41Å; C431-G433 VanDerWaalsContact C-N 3.32Å; C431-G433 PolarHBondContact O-N 3.4Å
432K61.6Low68.7Low124 Ų12457.9 Ų57.954%0.53934%0.337SS..THydrogen-bonded Turntrans-82-9.7-169.6-71.7-177.1176.6174.90114E428 A434E428-K432 PolarHBondContact O-N 3.07Å; K432-A434 HydrophobicContact CB-CB 4.04Å; K432-A434 PolarHBondContact O-N 3.35Å
433G54.2Low67.6Low65 Ų6561.6 Ų61.667%0.6735%0.354SS*.  trans57.3-5.2-166.600000114.4C431C431-G433 VanDerWaalsContact C-N 3.32Å; C431-G433 PolarHBondContact O-N 3.4Å
434A48.1Very low66.5Low52 Ų5262.5 Ų62.543%0.4336%0.357SS..  trans-90.4124.8-172.600000108.4K432 K436K432-A434 HydrophobicContact CB-CB 4.04Å; K432-A434 PolarHBondContact O-N 3.35Å; A434-K436 VanDerWaalsContact C-N 3.27Å; A434-K436 PolarHBondContact O-N 3.27Å
435K50.2Low65.6Low138 Ų13862.3 Ų62.360%0.635%0.353SS*.  trans-54.899158.4-58.2-168.9-176.2-154.70106.4D214 K437D214-K435 IonicContact OD2-NZ 2.74Å; D214-K435 PolarHBondContact OD2-NZ 2.85Å; K435-K437 PolarHBondContact O-N 3.05Å
436K49.6Very low65.3Low103 Ų10368 Ų6845%0.44838%0.375SS..  trans-65.490.9156.3-110-175.8173.4-177.60103.1E428 A434 P438E428-K436 IonicContact OE2-NZ 2.93Å; E428-K436 PolarHBondContact OE2-NZ 3.35Å; A434-K436 VanDerWaalsContact C-N 3.27Å; A434-K436 PolarHBondContact O-N 3.27Å; K436-P438 VanDerWaalsContact O-CD 3.23Å; K436-P438 WeakPolarHBondContact O-CD 3.07Å
437K48.1Very low64.9Low142 Ų14268.8 Ų68.862%0.61738%0.378SS*.  trans-52118.7167.6-74.9-170.8177.9-172.60103.8K435 S439K435-K437 PolarHBondContact O-N 3.05Å; K437-S439 PolarHBondContact O-N 3.11Å; K437-S439 VanDerWaalsContact O-N 3.14Å
438P45.7Very low64.5Low31 Ų3167 Ų6720%0.20136%0.362CS..  trans-47.3132.8168.613.6-22.2000105.4V389 K436 A440V389-P438 HydrophobicContact CB-CG 4.44Å; V389-P438 HydrophobicContact CG1-CB 4.05Å; V389-P438 HydrophobicContact CG1-CG 4.2Å; V389-P438 HydrophobicContact CG2-CB 3.78Å; V389-P438 HydrophobicContact CG2-CG 3.36Å; K436-P438 VanDerWaalsContact O-CD 3.23Å; K436-P438 WeakPolarHBondContact O-CD 3.07Å; P438-A440 PolarHBondContact O-N 3.21Å
439S45.9Very low64.5Low39 Ų3969.6 Ų69.627%0.27338%0.376SS..  trans-73.751.1-174.840.70000109.5S113 I114 K437 A441S113-S439 CarbonylContact C-O 3.57Å; S113-S439 CarbonylContact O-C 3.57Å; S113-S439 VanDerWaalsContact O-CB 3.24Å; S113-S439 WeakPolarHBondContact O-CB 3.37Å; S113-S439 PolarHBondContact O-OG 2.8Å; I114-S439 WeakPolarHBondContact CA-O 3.48Å; I114-S439 PolarHBondContact O-N 2.75Å; K437-S439 PolarHBondContact O-N 3.11Å; K437-S439 VanDerWaalsContact O-N 3.14Å; S439-A441 PolarHBondContact O-N 2.79Å
440A50.9Low64.8Low12 Ų1271.8 Ų71.810%0.09939%0.386CS..  trans-39.4117.7154.300000106.3I114 P438 A442 Y444 R445I114-A440 HydrophobicContact CG2-CB 4.22Å; P438-A440 PolarHBondContact O-N 3.21Å; A440-A442 PolarHBondContact O-N 3.02Å; A440-Y444 HydrophobicContact CB-CD1 4.09Å; A440-R445 HydrophobicContact CB-CG 4.07Å
441A56.5Low65Low16 Ų1668.5 Ų68.513%0.13237%0.369CS..  trans-42.9137.6-179.500000107.8S439 Q443 Y444 R445S439-A441 PolarHBondContact O-N 2.79Å; A441-Q443 HydrophobicContact CB-CB 4.49Å; A441-Q443 PolarHBondContact O-N 2.87Å; A441-Y444 WeakPolarHBondContact O-CA 3.26Å; A441-Y444 WeakPolarHBondContact O-CB 3.47Å; A441-Y444 PolarHBondContact O-N 2.77Å; A441-R445 PolarHBondContact O-N 3.12Å
442A66.1Low65.6Low73 Ų7367.6 Ų67.660%0.60335%0.349SS*.Hα-helixtrans-52.2-33.1-178.200000111.6A440 R445 K446A440-A442 PolarHBondContact O-N 3.02Å; A442-R445 PolarHBondContact O-N 3.23Å; A442-K446 WeakPolarHBondContact O-CB 3.11Å; A442-K446 PolarHBondContact O-N 3.47Å
443Q67.3Low67.1Low84 Ų8467.3 Ų67.339%0.39335%0.348SS..Hα-helixtrans-56.6-46.2171-170.1-170.85100113A441 K446 R447A441-Q443 HydrophobicContact CB-CB 4.49Å; A441-Q443 PolarHBondContact O-N 2.87Å; Q443-K446 WeakPolarHBondContact O-CB 3.38Å; Q443-K446 PolarHBondContact O-N 3.31Å; Q443-R447 VanDerWaalsContact NE2-NH2 3.12Å; Q443-R447 WeakPolarHBondContact O-CG 3.37Å; Q443-R447 PolarHBondContact O-N 3.36Å
444Y67.5Low69Low30 Ų3065 Ų6512%0.11832%0.32CS..Hα-helixtrans-64.7-43.9-179.5-171.1-96.5000112.7V388 A440 A441 K446 R447 H448V388-Y444 HydrophobicContact CB-CD1 4.05Å; V388-Y444 HydrophobicContact CB-CE1 3.26Å; V388-Y444 HydrophobicContact CB-CE2 4.48Å; V388-Y444 HydrophobicContact CG1-CD1 3.34Å; V388-Y444 HydrophobicContact CG1-CD2 4.08Å; V388-Y444 HydrophobicContact CG1-CE1 3.03Å; V388-Y444 HydrophobicContact CG1-CE2 3.92Å; V388-Y444 HydrophobicContact CG1-CG 3.88Å; V388-Y444 VanDerWaalsContact CG1-CZ 3.5Å; V388-Y444 HydrophobicContact CG2-CD1 4.28Å; V388-Y444 HydrophobicContact CG2-CE1 3.12Å; V388-Y444 HydrophobicContact CG2-CE2 3.9Å; V388-Y444 WeakPolarHBondContact CG2-OH 2.95Å; A440-Y444 HydrophobicContact CB-CD1 4.09Å; A441-Y444 WeakPolarHBondContact O-CA 3.26Å; A441-Y444 WeakPolarHBondContact O-CB 3.47Å; A441-Y444 PolarHBondContact O-N 2.77Å; Y444-K446 VanDerWaalsContact C-N 3.29Å; Y444-K446 PolarHBondContact O-N 2.85Å; Y444-R447 PolarHBondContact O-N 2.82Å; Y444-H448 AromaticContact CD1-CD2 3.66Å; Y444-H448 AromaticContact CE1-CD2 2.94Å; Y444-H448 WeakPolarHBondContact CE1-CD2 3.32Å; Y444-H448 AromaticContact CE1-CE1 3.77Å; Y444-H448 AromaticContact CE1-CG 3.85Å; Y444-H448 AromaticContact CE1-NE2 2.91Å; Y444-H448 WeakPolarHBondContact CE1-NE2 3.37Å; Y444-H448 AromaticContact CZ-CD2 3.48Å; Y444-H448 VanDerWaalsContact CZ-CD2 3.48Å; Y444-H448 AromaticContact CZ-CE1 3.63Å; Y444-H448 AromaticContact CZ-CG 3.98Å; Y444-H448 AromaticContact CZ-NE2 3.26Å; Y444-H448 VanDerWaalsContact CZ-NE2 3.26Å; Y444-H448 PolarHBondContact O-N 3.06Å; Y444-H448 PolarHBondContact OH-CD2 3.27Å; Y444-H448 PolarHBondContact OH-CE1 3.41Å; Y444-H448 PolarHBondContact OH-ND1 3Å; Y444-H448 PolarHBondContact OH-NE2 2.73Å
445R70Confident71.2Confident89 Ų8962.5 Ų62.534%0.33630%0.3SS..Hα-helixtrans-61.9-37.7173-70.6-171.2-69.3-122.3-1.7112.3A440 A441 A442 L449A440-R445 HydrophobicContact CB-CG 4.07Å; A441-R445 PolarHBondContact O-N 3.12Å; A442-R445 PolarHBondContact O-N 3.23Å; R445-L449 PolarHBondContact O-N 2.53Å; R445-L449 VanDerWaalsContact O-N 3.08Å
446K79.7Confident73.3Confident138 Ų13859.9 Ų59.960%0.630%0.296SS*.Hα-helixtrans-62.4-45.1175.4-177.1-174.9175.7-173.80110.9A442 Q443 Y444 L449 Q450A442-K446 WeakPolarHBondContact O-CB 3.11Å; A442-K446 PolarHBondContact O-N 3.47Å; Q443-K446 WeakPolarHBondContact O-CB 3.38Å; Q443-K446 PolarHBondContact O-N 3.31Å; Y444-K446 VanDerWaalsContact C-N 3.29Å; Y444-K446 PolarHBondContact O-N 2.85Å; K446-L449 WeakPolarHBondContact O-CB 3.18Å; K446-L449 PolarHBondContact O-N 3.49Å; K446-Q450 WeakPolarHBondContact O-CG 3.4Å; K446-Q450 PolarHBondContact O-N 3.11Å; K446-Q450 PolarHBondContact O-OE1 2.83Å
447R79.2Confident75.4Confident17 Ų1759.6 Ų59.66%0.06429%0.294CS..Hα-helixtrans-62.4-46.7176.6-72.3179.7-175.2144.42.6112.5Q443 Y444 L449 Q450 I451 E480Q443-R447 VanDerWaalsContact NE2-NH2 3.12Å; Q443-R447 WeakPolarHBondContact O-CG 3.37Å; Q443-R447 PolarHBondContact O-N 3.36Å; Y444-R447 PolarHBondContact O-N 2.82Å; R447-L449 VanDerWaalsContact C-N 3.25Å; R447-L449 PolarHBondContact O-N 3.15Å; R447-Q450 CarbonylContact O-C 3.52Å; R447-Q450 WeakPolarHBondContact O-CA 3.5Å; R447-Q450 WeakPolarHBondContact O-CB 3.44Å; R447-Q450 PolarHBondContact O-N 3.35Å; R447-I451 WeakPolarHBondContact O-CG1 3.45Å; R447-I451 PolarHBondContact O-N 2.91Å; R447-E480 VanDerWaalsContact CZ-C 3.47Å; R447-E480 IonicContact NE-OE2 3.86Å; R447-E480 PolarHBondContact NH1-O 3.12Å; R447-E480 VanDerWaalsContact NH2-CB 3.33Å; R447-E480 PolarHBondContact NH2-O 3.16Å; R447-E480 IonicContact NH2-OE2 2.72Å
448H79.9Confident77.7Confident11 Ų1152.9 Ų52.95%0.05127%0.265CS..Hα-helixtrans-54.3-43173.4-90.3-47.5000113Y384 Y444 Q450 I451 R452Y384-H448 AromaticContact CD1-CE1 3.12Å; Y384-H448 WeakPolarHBondContact CD1-CE1 3.42Å; Y384-H448 AromaticContact CD1-ND1 3.13Å; Y384-H448 WeakPolarHBondContact CD1-ND1 3.48Å; Y384-H448 AromaticContact CE1-CE1 3.04Å; Y384-H448 WeakPolarHBondContact CE1-CE1 3.1Å; Y384-H448 AromaticContact CE1-ND1 2.89Å; Y384-H448 WeakPolarHBondContact CE1-ND1 3.22Å; Y384-H448 AromaticContact CG-CE1 3.72Å; Y384-H448 AromaticContact CZ-CE1 3.49Å; Y384-H448 VanDerWaalsContact CZ-CE1 3.49Å; Y384-H448 AromaticContact CZ-ND1 3.71Å; Y444-H448 AromaticContact CD1-CD2 3.66Å; Y444-H448 AromaticContact CE1-CD2 2.94Å; Y444-H448 WeakPolarHBondContact CE1-CD2 3.32Å; Y444-H448 AromaticContact CE1-CE1 3.77Å; Y444-H448 AromaticContact CE1-CG 3.85Å; Y444-H448 AromaticContact CE1-NE2 2.91Å; Y444-H448 WeakPolarHBondContact CE1-NE2 3.37Å; Y444-H448 AromaticContact CZ-CD2 3.48Å; Y444-H448 VanDerWaalsContact CZ-CD2 3.48Å; Y444-H448 AromaticContact CZ-CE1 3.63Å; Y444-H448 AromaticContact CZ-CG 3.98Å; Y444-H448 AromaticContact CZ-NE2 3.26Å; Y444-H448 VanDerWaalsContact CZ-NE2 3.26Å; Y444-H448 PolarHBondContact O-N 3.06Å; Y444-H448 PolarHBondContact OH-CD2 3.27Å; Y444-H448 PolarHBondContact OH-CE1 3.41Å; Y444-H448 PolarHBondContact OH-ND1 3Å; Y444-H448 PolarHBondContact OH-NE2 2.73Å; H448-Q450 VanDerWaalsContact C-N 3.31Å; H448-Q450 PolarHBondContact O-N 2.98Å; H448-I451 PolarHBondContact O-N 3.33Å; H448-R452 WeakPolarHBondContact O-CB 3.26Å; H448-R452 PolarHBondContact O-N 2.91Å
449L84.5Confident80.1Confident95 Ų9555.9 Ų55.950%0.49728%0.282SS..Hα-helixtrans-65.2-35.8176.3-174.364000111.9R445 K446 R447 K453R445-L449 PolarHBondContact O-N 2.53Å; R445-L449 VanDerWaalsContact O-N 3.08Å; K446-L449 WeakPolarHBondContact O-CB 3.18Å; K446-L449 PolarHBondContact O-N 3.49Å; R447-L449 VanDerWaalsContact C-N 3.25Å; R447-L449 PolarHBondContact O-N 3.15Å; L449-K453 VanDerWaalsContact O-CG 3.27Å; L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 2.85Å
450Q90.5Very high82.5Confident61 Ų6159.1 Ų59.129%0.28529%0.293SS..Hα-helixtrans-67.3-47.7174.4-70.8167.6-63.300111.7K446 R447 H448 R452 K453 L454 Q477K446-Q450 WeakPolarHBondContact O-CG 3.4Å; K446-Q450 PolarHBondContact O-N 3.11Å; K446-Q450 PolarHBondContact O-OE1 2.83Å; R447-Q450 CarbonylContact O-C 3.52Å; R447-Q450 WeakPolarHBondContact O-CA 3.5Å; R447-Q450 WeakPolarHBondContact O-CB 3.44Å; R447-Q450 PolarHBondContact O-N 3.35Å; H448-Q450 VanDerWaalsContact C-N 3.31Å; H448-Q450 PolarHBondContact O-N 2.98Å; Q450-R452 VanDerWaalsContact C-N 3.31Å; Q450-R452 PolarHBondContact O-N 3.19Å; Q450-K453 WeakPolarHBondContact O-CB 3.34Å; Q450-K453 PolarHBondContact O-N 2.79Å; Q450-K453 VanDerWaalsContact O-N 3.12Å; Q450-L454 WeakPolarHBondContact O-CG 3.49Å; Q450-L454 PolarHBondContact O-N 3.36Å; Q450-Q477 HydrophobicContact CB-CG 4.33Å; Q450-Q477 VanDerWaalsContact CD-OE1 3.24Å
451I90.9Very high84.7Confident4 Ų460 Ų602%0.02130%0.295CS..Hα-helixtrans-56.3-47.9174.3-67.1172.1000109.8F319 V379 Y384 R447 H448 K453 L454 V455 I474 Q477 L478F319-I451 HydrophobicContact CD1-CG2 3.61Å; F319-I451 HydrophobicContact CE1-CG2 3.51Å; F319-I451 HydrophobicContact CZ-CG2 4.38Å; V379-I451 HydrophobicContact CG1-CG2 4.13Å; Y384-I451 HydrophobicContact CE1-CG2 4.39Å; R447-I451 WeakPolarHBondContact O-CG1 3.45Å; R447-I451 PolarHBondContact O-N 2.91Å; H448-I451 PolarHBondContact O-N 3.33Å; I451-K453 VanDerWaalsContact C-N 3.32Å; I451-K453 PolarHBondContact O-N 3.18Å; I451-L454 WeakPolarHBondContact O-CB 3.33Å; I451-L454 PolarHBondContact O-N 3.4Å; I451-L454 VanDerWaalsContact O-N 3.09Å; I451-V455 HydrophobicContact CG2-CG2 4.22Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.32Å; I451-V455 PolarHBondContact O-N 2.77Å; I451-I474 HydrophobicContact CG2-CD1 4.16Å; I451-Q477 HydrophobicContact CD1-CB 3.97Å; I451-Q477 HydrophobicContact CG1-CB 3.5Å; I451-Q477 VanDerWaalsContact CG1-CB 3.5Å; I451-Q477 HydrophobicContact CG1-CG 3.91Å; I451-L478 HydrophobicContact CD1-CD2 3.83Å
452R90.8Very high86.5Confident96 Ų9662.3 Ų62.336%0.36230%0.301SS..Hα-helixtrans-57.7-42.8176.8-173.4-176.3178.5111.13.5112.3V379 L380 S381 H448 Q450 L454 V455 T456V379-R452 HydrophobicContact CG1-CB 4.05Å; V379-R452 HydrophobicContact CG1-CG 4.41Å; V379-R452 PolarHBondContact O-NH1 3.07Å; L380-R452 VanDerWaalsContact O-CZ 3.28Å; L380-R452 PolarHBondContact O-NH1 3.26Å; L380-R452 PolarHBondContact O-NH2 2.89Å; S381-R452 PolarHBondContact O-NH1 2.64Å; H448-R452 WeakPolarHBondContact O-CB 3.26Å; H448-R452 PolarHBondContact O-N 2.91Å; Q450-R452 VanDerWaalsContact C-N 3.31Å; Q450-R452 PolarHBondContact O-N 3.19Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.94Å; R452-V455 PolarHBondContact O-N 2.99Å; R452-T456 WeakPolarHBondContact O-CG2 3.11Å; R452-T456 PolarHBondContact O-N 2.94Å; R452-T456 PolarHBondContact O-OG1 2.84Å
453K92.8Very high87.8Confident117 Ų11764.1 Ų64.151%0.50931%0.305SS..Hα-helixtrans-61.8-40.4175.7-76171.9179.8-176.90112L449 Q450 I451 T456 K457L449-K453 VanDerWaalsContact O-CG 3.27Å; L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 2.85Å; Q450-K453 WeakPolarHBondContact O-CB 3.34Å; Q450-K453 PolarHBondContact O-N 2.79Å; Q450-K453 VanDerWaalsContact O-N 3.12Å; I451-K453 VanDerWaalsContact C-N 3.32Å; I451-K453 PolarHBondContact O-N 3.18Å; K453-T456 PolarHBondContact O-OG1 3.42Å; K453-K457 WeakPolarHBondContact O-CG 3.49Å
454L94.8Very high89.2Confident16 Ų1666.8 Ų66.88%0.08432%0.315CS..Hα-helixtrans-66.2-49.7176.6-68.2171.8000110.8Q450 I451 R452 T456 K457 Y458 Y470 E473 I474 Q477Q450-L454 WeakPolarHBondContact O-CG 3.49Å; Q450-L454 PolarHBondContact O-N 3.36Å; I451-L454 WeakPolarHBondContact O-CB 3.33Å; I451-L454 PolarHBondContact O-N 3.4Å; I451-L454 VanDerWaalsContact O-N 3.09Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.94Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.99Å; L454-K457 WeakPolarHBondContact O-CA 3.33Å; L454-K457 WeakPolarHBondContact O-CB 3.04Å; L454-K457 PolarHBondContact O-N 3.47Å; L454-Y458 PolarHBondContact O-N 3.39Å; L454-Y470 HydrophobicContact CB-CE2 4.36Å; L454-Y470 WeakPolarHBondContact O-CE2 3.34Å; L454-E473 HydrophobicContact CD1-CB 4.05Å; L454-E473 HydrophobicContact CD2-CB 4.14Å; L454-E473 WeakPolarHBondContact CD2-OE2 3.4Å; L454-I474 HydrophobicContact CB-CD1 3.55Å; L454-I474 HydrophobicContact CB-CG1 4.34Å; L454-I474 HydrophobicContact CD1-CD1 3.87Å; L454-I474 HydrophobicContact CD1-CG1 4.32Å; L454-I474 HydrophobicContact CG-CD1 4.37Å; L454-Q477 HydrophobicContact CD1-CG 3.88Å
455V94.2Very high90.4Very high0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-52.8-44.7177.1167.70000111.4F319 Y376 V379 L380 I451 R452 K457 Y458 Y470 I474F319-V455 HydrophobicContact CB-CG2 4.24Å; F319-V455 HydrophobicContact CD1-CG2 4.15Å; Y376-V455 HydrophobicContact CD2-CG1 3.59Å; Y376-V455 HydrophobicContact CE2-CB 4.45Å; Y376-V455 HydrophobicContact CE2-CG1 3.49Å; Y376-V455 VanDerWaalsContact CE2-CG1 3.49Å; Y376-V455 HydrophobicContact CG-CG1 4.31Å; V379-V455 HydrophobicContact CB-CG1 4.49Å; V379-V455 HydrophobicContact CB-CG2 4.41Å; V379-V455 HydrophobicContact CG1-CB 4.18Å; V379-V455 HydrophobicContact CG1-CG1 4.3Å; V379-V455 HydrophobicContact CG1-CG2 3.89Å; L380-V455 HydrophobicContact CD1-CG1 4.34Å; L380-V455 HydrophobicContact CD2-CG1 3.75Å; L380-V455 HydrophobicContact CG-CG1 3.79Å; I451-V455 HydrophobicContact CG2-CG2 4.22Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.32Å; I451-V455 PolarHBondContact O-N 2.77Å; R452-V455 PolarHBondContact O-N 2.99Å; V455-K457 PolarHBondContact O-N 3.17Å; V455-K457 VanDerWaalsContact O-N 3.12Å; V455-Y458 WeakPolarHBondContact O-CB 3.46Å; V455-Y458 PolarHBondContact O-N 2.94Å; V455-Y458 VanDerWaalsContact O-N 3.12Å; V455-Y470 WeakPolarHBondContact CG2-OH 3.37Å; V455-I474 HydrophobicContact CG2-CD1 4.19Å
456T93.9Very high91.6Very high84 Ų8470.6 Ų70.652%0.51535%0.35SS..THydrogen-bonded Turntrans-63.8-18.3177.154.40000114.7L380 R452 K453 L454L380-T456 HydrophobicContact CD2-CG2 3.61Å; R452-T456 WeakPolarHBondContact O-CG2 3.11Å; R452-T456 PolarHBondContact O-N 2.94Å; R452-T456 PolarHBondContact O-OG1 2.84Å; K453-T456 PolarHBondContact O-OG1 3.42Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.99Å
457K95.4Very high92.3Very high96 Ų9664.7 Ų64.742%0.41733%0.325SS..THydrogen-bonded Turntrans-98.3-0.7179.2-67.6178.2179.8-1760113K453 L454 V455 V459 Q460 Y461K453-K457 WeakPolarHBondContact O-CG 3.49Å; L454-K457 WeakPolarHBondContact O-CA 3.33Å; L454-K457 WeakPolarHBondContact O-CB 3.04Å; L454-K457 PolarHBondContact O-N 3.47Å; V455-K457 PolarHBondContact O-N 3.17Å; V455-K457 VanDerWaalsContact O-N 3.12Å; K457-V459 VanDerWaalsContact C-N 3.27Å; K457-V459 PolarHBondContact O-N 2.93Å; K457-V459 VanDerWaalsContact O-N 3.15Å; K457-Q460 WeakPolarHBondContact O-CA 3.43Å; K457-Q460 VanDerWaalsContact O-CB 3.27Å; K457-Q460 WeakPolarHBondContact O-CB 3.42Å; K457-Q460 PolarHBondContact O-N 3.42Å; K457-Y461 HydrophobicContact CB-CD2 4.22Å; K457-Y461 HydrophobicContact CB-CE2 4.02Å; K457-Y461 WeakPolarHBondContact O-CD2 3.4Å; K457-Y461 PolarHBondContact O-N 3.47Å
458Y96.4Very high92.9Very high2 Ų266.4 Ų66.41%0.00834%0.335CS..Hα-helixtrans-49.4-46.5-173.8173.4-92.2000113.1V320 P321 D324 Y376 L454 V455 Q460 Y461 K462 Y470V320-Y458 HydrophobicContact CG1-CE2 3.95Å; V320-Y458 HydrophobicContact CG2-CE2 4.49Å; P321-Y458 HydrophobicContact CB-CE1 4.42Å; P321-Y458 HydrophobicContact CG-CD1 3.27Å; P321-Y458 HydrophobicContact CG-CE1 3.28Å; P321-Y458 HydrophobicContact CG-CG 3.94Å; D324-Y458 WeakPolarHBondContact CB-OH 3.5Å; D324-Y458 WeakPolarHBondContact OD2-CE1 3.3Å; D324-Y458 VanDerWaalsContact OD2-CZ 3.3Å; D324-Y458 PolarHBondContact OD2-OH 3.26Å; Y376-Y458 HydrophobicContact CE2-CG 4.27Å; L454-Y458 PolarHBondContact O-N 3.39Å; V455-Y458 WeakPolarHBondContact O-CB 3.46Å; V455-Y458 PolarHBondContact O-N 2.94Å; V455-Y458 VanDerWaalsContact O-N 3.12Å; Y458-Q460 PolarHBondContact O-N 3.09Å; Y458-Q460 VanDerWaalsContact O-N 3.13Å; Y458-Y461 WeakPolarHBondContact O-CA 3.28Å; Y458-Y461 WeakPolarHBondContact O-CB 3.26Å; Y458-Y461 PolarHBondContact O-N 3.08Å; Y458-K462 HydrophobicContact CE1-CB 4.08Å; Y458-K462 HydrophobicContact CE1-CD 4.04Å; Y458-K462 PolarHBondContact O-N 3.39Å; Y458-Y470 AromaticContact CD2-CD1 3.7Å; Y458-Y470 HydrophobicContact CD2-CD1 3.7Å; Y458-Y470 HydrophobicContact CD2-CD2 4.15Å; Y458-Y470 AromaticContact CD2-CE1 3.55Å; Y458-Y470 HydrophobicContact CD2-CE1 3.55Å; Y458-Y470 HydrophobicContact CD2-CE2 4Å; Y458-Y470 AromaticContact CD2-CG 4Å; Y458-Y470 HydrophobicContact CD2-CG 4Å; Y458-Y470 AromaticContact CD2-CZ 3.71Å; Y458-Y470 HydrophobicContact CE2-CD1 4.04Å; Y458-Y470 HydrophobicContact CE2-CE1 4.09Å
459V94.7Very high93.6Very high93 Ų9369 Ų6956%0.56435%0.349SS*.Hα-helixtrans-56-34.9178.4179.40000112.1K457 T463K457-V459 VanDerWaalsContact C-N 3.27Å; K457-V459 PolarHBondContact O-N 2.93Å; K457-V459 VanDerWaalsContact O-N 3.15Å; V459-T463 HydrophobicContact CG1-CG2 4.29Å; V459-T463 WeakPolarHBondContact O-CB 3.27Å; V459-T463 WeakPolarHBondContact O-CG2 3.17Å; V459-T463 PolarHBondContact O-N 3.1Å; V459-T463 PolarHBondContact O-OG1 3.23Å
460Q96.2Very high94.2Very high108 Ų10864.4 Ų64.451%0.50533%0.325SS..Hα-helixtrans-71.3-33.4177-57.2178.61.400112.7K457 Y458 T463 K464K457-Q460 WeakPolarHBondContact O-CA 3.43Å; K457-Q460 VanDerWaalsContact O-CB 3.27Å; K457-Q460 WeakPolarHBondContact O-CB 3.42Å; K457-Q460 PolarHBondContact O-N 3.42Å; Y458-Q460 PolarHBondContact O-N 3.09Å; Y458-Q460 VanDerWaalsContact O-N 3.13Å; Q460-T463 WeakPolarHBondContact CA-OG1 3.35Å; Q460-T463 PolarHBondContact O-OG1 3.36Å; Q460-K464 WeakPolarHBondContact O-CD 3.36Å; Q460-K464 VanDerWaalsContact O-CG 3.3Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å
461Y96.7Very high94.5Very high31 Ų3161.5 Ų61.512%0.12231%0.311CS..Hα-helixtrans-71.5-45.8173.9-76.8-93.2000110.6K457 Y458 K464 G465 R466 L469 Y470 E473K457-Y461 HydrophobicContact CB-CD2 4.22Å; K457-Y461 HydrophobicContact CB-CE2 4.02Å; K457-Y461 WeakPolarHBondContact O-CD2 3.4Å; K457-Y461 PolarHBondContact O-N 3.47Å; Y458-Y461 WeakPolarHBondContact O-CA 3.28Å; Y458-Y461 WeakPolarHBondContact O-CB 3.26Å; Y458-Y461 PolarHBondContact O-N 3.08Å; Y461-K464 PolarHBondContact O-N 2.95Å; Y461-G465 PolarHBondContact O-N 3.17Å; Y461-R466 HydrophobicContact CD1-CB 4.16Å; Y461-R466 WeakPolarHBondContact CD1-O 3.32Å; Y461-R466 PolarHBondContact O-N 3.29Å; Y461-L469 HydrophobicContact CD1-CB 4.32Å; Y461-L469 HydrophobicContact CD1-CD2 4.4Å; Y461-L469 HydrophobicContact CD1-CG 4.42Å; Y461-L469 HydrophobicContact CE1-CB 4.24Å; Y461-L469 HydrophobicContact CE1-CD2 3.83Å; Y461-L469 HydrophobicContact CE1-CG 3.85Å; Y461-Y470 AromaticContact CD2-CD2 3.95Å; Y461-Y470 HydrophobicContact CD2-CD2 3.95Å; Y461-Y470 HydrophobicContact CE2-CD2 4.35Å; Y461-Y470 HydrophobicContact CG-CD2 4.24Å; Y461-Y470 HydrophobicContact CG-CG 4.44Å; Y461-E473 PolarHBondContact OH-OE1 2.93Å; Y461-E473 PolarHBondContact OH-OE2 3.06Å
462K95.1Very high94.6Very high64 Ų6463.8 Ų63.828%0.27833%0.326SS..Hα-helixtrans-58.9-51177.9-179165.1-172.5171.70112.1D324 E327 Y458 K464 G465 I467D324-K462 IonicContact OD1-NZ 3.89Å; D324-K462 PolarHBondContact OD1-NZ 3.07Å; D324-K462 WeakPolarHBondContact OD2-CD 3.17Å; D324-K462 IonicContact OD2-NZ 3.94Å; D324-K462 PolarHBondContact OD2-NZ 2.87Å; E327-K462 VanDerWaalsContact OE2-CE 3.28Å; E327-K462 WeakPolarHBondContact OE2-CE 3.28Å; E327-K462 IonicContact OE2-NZ 3.67Å; E327-K462 PolarHBondContact OE2-NZ 2.77Å; Y458-K462 HydrophobicContact CE1-CB 4.08Å; Y458-K462 HydrophobicContact CE1-CD 4.04Å; Y458-K462 PolarHBondContact O-N 3.39Å; K462-K464 PolarHBondContact O-N 3.22Å; K462-K464 VanDerWaalsContact O-N 3.09Å; K462-G465 PolarHBondContact O-N 3.04Å; K462-I467 HydrophobicContact CG-CD1 4.34Å
463T94.4Very high94.8Very high110 Ų11062 Ų6268%0.67532%0.321SS*.Hα-helixtrans-60.4-21.8178.849.30000114.2V459 Q460V459-T463 HydrophobicContact CG1-CG2 4.29Å; V459-T463 WeakPolarHBondContact O-CB 3.27Å; V459-T463 WeakPolarHBondContact O-CG2 3.17Å; V459-T463 PolarHBondContact O-N 3.1Å; V459-T463 PolarHBondContact O-OG1 3.23Å; Q460-T463 WeakPolarHBondContact CA-OG1 3.35Å; Q460-T463 PolarHBondContact O-OG1 3.36Å
464K95.5Very high94.9Very high141 Ų14156.4 Ų56.461%0.61330%0.297SS*.THydrogen-bonded Turntrans-95.71.1175.7-68.8177.5-177.3177.50113.7Q460 Y461 K462 R466Q460-K464 WeakPolarHBondContact O-CD 3.36Å; Q460-K464 VanDerWaalsContact O-CG 3.3Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Y461-K464 PolarHBondContact O-N 2.95Å; K462-K464 PolarHBondContact O-N 3.22Å; K462-K464 VanDerWaalsContact O-N 3.09Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 HydrophobicContact CB-CG 4.13Å
465G93.5Very high94.7Very high65 Ų6555.8 Ų55.867%0.6729%0.294SS*.THydrogen-bonded Turntrans64.334-174.700000113.5Y461 K462Y461-G465 PolarHBondContact O-N 3.17Å; K462-G465 PolarHBondContact O-N 3.04Å
466R94.6Very high94.5Very high134 Ų13461.8 Ų61.851%0.50632%0.317SS..  trans-11842.6-175.6-62.2-174.5-177.1-171.3-3.1112.5Y461 K464 D468 L469 Y470Y461-R466 HydrophobicContact CD1-CB 4.16Å; Y461-R466 WeakPolarHBondContact CD1-O 3.32Å; Y461-R466 PolarHBondContact O-N 3.29Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 HydrophobicContact CB-CG 4.13Å; R466-D468 VanDerWaalsContact C-N 3.3Å; R466-D468 WeakPolarHBondContact CA-OD1 3.39Å; R466-L469 HydrophobicContact CB-CB 4.17Å; R466-L469 PolarHBondContact O-N 2.74Å; R466-Y470 PolarHBondContact O-N 2.99Å; R466-Y470 VanDerWaalsContact O-N 3.16Å
467I94Very high94.3Very high14 Ų1458.1 Ų58.17%0.07229%0.294CS..Hα-helixtrans-65-37.5-179.5-63.8176.7000110.5A328 K462 L469 Y470 L471A328-I467 HydrophobicContact CB-CG2 4.01Å; K462-I467 HydrophobicContact CG-CD1 4.34Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 2.86Å; I467-Y470 WeakPolarHBondContact O-CB 3.46Å; I467-Y470 PolarHBondContact O-N 3.01Å; I467-L471 HydrophobicContact CG2-CD1 3.91Å; I467-L471 HydrophobicContact CG2-CG 4.27Å; I467-L471 WeakPolarHBondContact O-CG 3.4Å; I467-L471 PolarHBondContact O-N 2.99Å
468D93Very high93.8Very high52 Ų5255 Ų5528%0.27828%0.282SS..Hα-helixtrans-54.5-45.6172.765.7-35.6000113.1M313 R466 L471 T472M313-D468 HydrophobicContact SD-CB 4.34Å; R466-D468 VanDerWaalsContact C-N 3.3Å; R466-D468 WeakPolarHBondContact CA-OD1 3.39Å; D468-L471 PolarHBondContact O-N 3.48Å; D468-T472 WeakPolarHBondContact O-CB 3.44Å; D468-T472 PolarHBondContact O-N 3.11Å; D468-T472 PolarHBondContact O-OG1 3.46Å
469L94.6Very high92.6Very high65 Ų6558.2 Ų58.234%0.3430%0.297SS..Hα-helixtrans-66.6-41.3178.5-176.864000110.6Y461 R466 I467 T472 E473Y461-L469 HydrophobicContact CD1-CB 4.32Å; Y461-L469 HydrophobicContact CD1-CD2 4.4Å; Y461-L469 HydrophobicContact CD1-CG 4.42Å; Y461-L469 HydrophobicContact CE1-CB 4.24Å; Y461-L469 HydrophobicContact CE1-CD2 3.83Å; Y461-L469 HydrophobicContact CE1-CG 3.85Å; R466-L469 HydrophobicContact CB-CB 4.17Å; R466-L469 PolarHBondContact O-N 2.74Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 2.86Å; L469-T472 PolarHBondContact O-N 2.94Å; L469-E473 HydrophobicContact CD1-CG 4.45Å; L469-E473 WeakPolarHBondContact O-CB 3.38Å; L469-E473 WeakPolarHBondContact O-CG 3.18Å; L469-E473 PolarHBondContact O-N 3.49Å
470Y96.9Very high90.6Very high0 Ų058.2 Ų58.20%029%0.29CS..Hα-helixtrans-57.4-52.1174171.5-98.5000111.6F319 V320 L454 V455 Y458 Y461 R466 I467 T472 E473 I474F319-Y470 PolarHBondContact O-OH 3.42Å; V320-Y470 HydrophobicContact CG2-CE1 4.2Å; L454-Y470 HydrophobicContact CB-CE2 4.36Å; L454-Y470 WeakPolarHBondContact O-CE2 3.34Å; V455-Y470 WeakPolarHBondContact CG2-OH 3.37Å; Y458-Y470 AromaticContact CD2-CD1 3.7Å; Y458-Y470 HydrophobicContact CD2-CD1 3.7Å; Y458-Y470 HydrophobicContact CD2-CD2 4.15Å; Y458-Y470 AromaticContact CD2-CE1 3.55Å; Y458-Y470 HydrophobicContact CD2-CE1 3.55Å; Y458-Y470 HydrophobicContact CD2-CE2 4Å; Y458-Y470 AromaticContact CD2-CG 4Å; Y458-Y470 HydrophobicContact CD2-CG 4Å; Y458-Y470 AromaticContact CD2-CZ 3.71Å; Y458-Y470 HydrophobicContact CE2-CD1 4.04Å; Y458-Y470 HydrophobicContact CE2-CE1 4.09Å; Y461-Y470 AromaticContact CD2-CD2 3.95Å; Y461-Y470 HydrophobicContact CD2-CD2 3.95Å; Y461-Y470 HydrophobicContact CE2-CD2 4.35Å; Y461-Y470 HydrophobicContact CG-CD2 4.24Å; Y461-Y470 HydrophobicContact CG-CG 4.44Å; R466-Y470 PolarHBondContact O-N 2.99Å; R466-Y470 VanDerWaalsContact O-N 3.16Å; I467-Y470 WeakPolarHBondContact O-CB 3.46Å; I467-Y470 PolarHBondContact O-N 3.01Å; Y470-T472 VanDerWaalsContact C-N 3.33Å; Y470-T472 PolarHBondContact O-N 2.71Å; Y470-E473 PolarHBondContact O-N 2.69Å; Y470-I474 HydrophobicContact CD1-CG1 4.42Å; Y470-I474 HydrophobicContact CD2-CG1 4.4Å; Y470-I474 HydrophobicContact CE1-CG1 3.94Å; Y470-I474 HydrophobicContact CE2-CD1 4.16Å; Y470-I474 HydrophobicContact CE2-CG1 3.92Å; Y470-I474 WeakPolarHBondContact O-CG1 3.3Å; Y470-I474 PolarHBondContact O-N 2.9Å
471L96.2Very high88.3Confident0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-61.3-43.5-179.5-69.2167.2000111.2M313 A316 L317 V320 I332 I467 D468 E473 I474 A475M313-L471 HydrophobicContact CB-CB 4.02Å; M313-L471 HydrophobicContact CB-CD1 4.27Å; M313-L471 HydrophobicContact CG-CB 3.71Å; M313-L471 HydrophobicContact CG-CD1 4.45Å; M313-L471 HydrophobicContact SD-CB 4.18Å; M313-L471 HydrophobicContact SD-CD1 4.29Å; A316-L471 HydrophobicContact CB-CB 4.2Å; A316-L471 HydrophobicContact CB-CD2 3.85Å; A316-L471 VanDerWaalsContact CB-O 3.24Å; A316-L471 WeakPolarHBondContact CB-O 3.29Å; L317-L471 HydrophobicContact CD2-CD2 4.37Å; V320-L471 HydrophobicContact CG2-CD2 3.65Å; I332-L471 HydrophobicContact CD1-CD1 3.88Å; I332-L471 HydrophobicContact CG1-CD1 4.01Å; I467-L471 HydrophobicContact CG2-CD1 3.91Å; I467-L471 HydrophobicContact CG2-CG 4.27Å; I467-L471 WeakPolarHBondContact O-CG 3.4Å; I467-L471 PolarHBondContact O-N 2.99Å; D468-L471 PolarHBondContact O-N 3.48Å; L471-E473 PolarHBondContact O-N 2.79Å; L471-I474 PolarHBondContact O-N 3.15Å; L471-A475 VanDerWaalsContact O-CB 3.31Å; L471-A475 WeakPolarHBondContact O-CB 3.22Å; L471-A475 PolarHBondContact O-N 2.92Å
472T93.2Very high87.9Confident52 Ų5258.5 Ų58.532%0.31930%0.304SS..Hα-helixtrans-62.9-42.8177.5-56.20000111.6D468 L469 Y470 A475 R476D468-T472 WeakPolarHBondContact O-CB 3.44Å; D468-T472 PolarHBondContact O-N 3.11Å; D468-T472 PolarHBondContact O-OG1 3.46Å; L469-T472 PolarHBondContact O-N 2.94Å; Y470-T472 VanDerWaalsContact C-N 3.33Å; Y470-T472 PolarHBondContact O-N 2.71Å; T472-A475 PolarHBondContact O-N 3.47Å; T472-R476 PolarHBondContact O-N 3.36Å
473E94.8Very high87.5Confident58 Ų5858.2 Ų58.227%0.27131%0.305SS..Hα-helixtrans-65.8-39.9177.8-78-172.5-139.300112.6L454 Y461 L469 Y470 L471 Q477L454-E473 HydrophobicContact CD1-CB 4.05Å; L454-E473 HydrophobicContact CD2-CB 4.14Å; L454-E473 WeakPolarHBondContact CD2-OE2 3.4Å; Y461-E473 PolarHBondContact OH-OE1 2.93Å; Y461-E473 PolarHBondContact OH-OE2 3.06Å; L469-E473 HydrophobicContact CD1-CG 4.45Å; L469-E473 WeakPolarHBondContact O-CB 3.38Å; L469-E473 WeakPolarHBondContact O-CG 3.18Å; L469-E473 PolarHBondContact O-N 3.49Å; Y470-E473 PolarHBondContact O-N 2.69Å; L471-E473 PolarHBondContact O-N 2.79Å; E473-Q477 PolarHBondContact O-N 3.49Å
474I94.5Very high87.1Confident0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-62.4-50.3172.6-69.9-72.7000109.9A316 F319 I451 L454 V455 Y470 L471 R476 Q477 L478A316-I474 HydrophobicContact CB-CB 3.9Å; A316-I474 HydrophobicContact CB-CG2 3.58Å; F319-I474 HydrophobicContact CB-CD1 4.24Å; F319-I474 HydrophobicContact CB-CG1 4.4Å; F319-I474 HydrophobicContact CB-CG2 3.99Å; F319-I474 HydrophobicContact CD2-CG2 3.54Å; F319-I474 HydrophobicContact CE2-CG2 4.18Å; F319-I474 HydrophobicContact CG-CG2 3.79Å; I451-I474 HydrophobicContact CG2-CD1 4.16Å; L454-I474 HydrophobicContact CB-CD1 3.55Å; L454-I474 HydrophobicContact CB-CG1 4.34Å; L454-I474 HydrophobicContact CD1-CD1 3.87Å; L454-I474 HydrophobicContact CD1-CG1 4.32Å; L454-I474 HydrophobicContact CG-CD1 4.37Å; V455-I474 HydrophobicContact CG2-CD1 4.19Å; Y470-I474 HydrophobicContact CD1-CG1 4.42Å; Y470-I474 HydrophobicContact CD2-CG1 4.4Å; Y470-I474 HydrophobicContact CE1-CG1 3.94Å; Y470-I474 HydrophobicContact CE2-CD1 4.16Å; Y470-I474 HydrophobicContact CE2-CG1 3.92Å; Y470-I474 WeakPolarHBondContact O-CG1 3.3Å; Y470-I474 PolarHBondContact O-N 2.9Å; L471-I474 PolarHBondContact O-N 3.15Å; I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 PolarHBondContact O-N 2.64Å; I474-Q477 WeakPolarHBondContact O-CA 3.23Å; I474-Q477 WeakPolarHBondContact O-CB 3.08Å; I474-Q477 PolarHBondContact O-N 3.19Å; I474-L478 HydrophobicContact CG2-CD1 4.08Å; I474-L478 HydrophobicContact CG2-CG 4.47Å; I474-L478 PolarHBondContact O-N 2.8Å
475A92.1Very high86.6Confident3 Ų350.2 Ų50.23%0.02527%0.265CS..Hα-helixtrans-58.4-40-177.700000112S312 A316 L471 T472 Q477 L478 E479S312-A475 WeakPolarHBondContact O-CB 3.03Å; A316-A475 HydrophobicContact CB-CB 4.21Å; L471-A475 VanDerWaalsContact O-CB 3.31Å; L471-A475 WeakPolarHBondContact O-CB 3.22Å; L471-A475 PolarHBondContact O-N 2.92Å; T472-A475 PolarHBondContact O-N 3.47Å; A475-Q477 PolarHBondContact O-N 2.86Å; A475-L478 WeakPolarHBondContact O-CA 3.38Å; A475-L478 WeakPolarHBondContact O-CB 3.49Å; A475-L478 PolarHBondContact O-N 2.93Å; A475-E479 PolarHBondContact O-N 3.23Å
476R89.8Confident86.2Confident125 Ų12549.3 Ų49.347%0.47224%0.24SC..Hα-helixtrans-58.1-34.5173.7-163.3-172.470.775.4-4.1112.9T472 I474 L478 E480T472-R476 PolarHBondContact O-N 3.36Å; I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 PolarHBondContact O-N 2.64Å; R476-L478 VanDerWaalsContact C-N 3.31Å; R476-E480 IonicContact CZ-OE1 3.02Å; R476-E480 IonicContact NH1-OE1 2.75Å; R476-E480 PolarHBondContact NH1-OE1 3.35Å
477Q88.5Confident85.6Confident7 Ų743.7 Ų43.73%0.03322%0.222CC..Hα-helixtrans-71.9-26.7174.7-56.1-46.5-7100112.8Q450 I451 L454 E473 I474 A475Q450-Q477 HydrophobicContact CB-CG 4.33Å; Q450-Q477 VanDerWaalsContact CD-OE1 3.24Å; I451-Q477 HydrophobicContact CD1-CB 3.97Å; I451-Q477 HydrophobicContact CG1-CB 3.5Å; I451-Q477 VanDerWaalsContact CG1-CB 3.5Å; I451-Q477 HydrophobicContact CG1-CG 3.91Å; L454-Q477 HydrophobicContact CD1-CG 3.88Å; E473-Q477 PolarHBondContact O-N 3.49Å; I474-Q477 WeakPolarHBondContact O-CA 3.23Å; I474-Q477 WeakPolarHBondContact O-CB 3.08Å; I474-Q477 PolarHBondContact O-N 3.19Å; A475-Q477 PolarHBondContact O-N 2.86Å
478L84.4Confident85Confident32 Ų3245.8 Ų45.817%0.16823%0.233CC..Hα-helixtrans-83.4-37.1-179.1-60.4173.6000112.1L280 F315 F319 I451 I474 A475 R476 E480 S481L280-L478 HydrophobicContact CD2-CD2 4.48Å; F315-L478 HydrophobicContact CB-CD1 4.45Å; F315-L478 WeakPolarHBondContact O-CD1 3Å; F319-L478 HydrophobicContact CD2-CD1 4.3Å; F319-L478 HydrophobicContact CE2-CD1 3.68Å; F319-L478 HydrophobicContact CE2-CD2 3.94Å; F319-L478 HydrophobicContact CE2-CG 4.35Å; F319-L478 HydrophobicContact CZ-CD1 4.46Å; F319-L478 HydrophobicContact CZ-CD2 3.89Å; I451-L478 HydrophobicContact CD1-CD2 3.83Å; I474-L478 HydrophobicContact CG2-CD1 4.08Å; I474-L478 HydrophobicContact CG2-CG 4.47Å; I474-L478 PolarHBondContact O-N 2.8Å; A475-L478 WeakPolarHBondContact O-CA 3.38Å; A475-L478 WeakPolarHBondContact O-CB 3.49Å; A475-L478 PolarHBondContact O-N 2.93Å; R476-L478 VanDerWaalsContact C-N 3.31Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 3.27Å; L478-S481 VanDerWaalsContact O-CB 3.23Å; L478-S481 WeakPolarHBondContact O-CB 3.49Å; L478-S481 PolarHBondContact O-N 3.32Å; L478-S481 PolarHBondContact O-OG 3.22Å
479E72.4Confident84.4Confident68 Ų6845.3 Ų45.332%0.31823%0.229SC..Hα-helixtrans-70.1-25.5-176.6-73.4-178.9176.600114.1Y300 R308 S312 A475 S481Y300-E479 PolarHBondContact OH-OE1 2.79Å; R308-E479 IonicContact CZ-OE2 3.33Å; R308-E479 IonicContact NE-OE1 3.49Å; R308-E479 IonicContact NE-OE2 3.88Å; R308-E479 PolarHBondContact NE-OE2 3.34Å; R308-E479 IonicContact NH2-OE2 3.79Å; R308-E479 PolarHBondContact NH2-OE2 3.26Å; S312-E479 WeakPolarHBondContact CB-OE1 3.29Å; S312-E479 PolarHBondContact OG-OE1 2.98Å; A475-E479 PolarHBondContact O-N 3.23Å; E479-S481 PolarHBondContact O-N 3.5Å; E479-S481 VanDerWaalsContact O-N 3.17Å
480E51.9Low83.5Confident93 Ų9343.7 Ų43.744%0.43522%0.22SC..THydrogen-bonded Turntrans-73.91.1177.3-61.3175.3-172.700112.7R447 R476 L478R447-E480 VanDerWaalsContact CZ-C 3.47Å; R447-E480 IonicContact NE-OE2 3.86Å; R447-E480 PolarHBondContact NH1-O 3.12Å; R447-E480 VanDerWaalsContact NH2-CB 3.33Å; R447-E480 PolarHBondContact NH2-O 3.16Å; R447-E480 IonicContact NH2-OE2 2.72Å; R476-E480 IonicContact CZ-OE1 3.02Å; R476-E480 IonicContact NH1-OE1 2.75Å; R476-E480 PolarHBondContact NH1-OE1 3.35Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 3.27Å
481S47.9Very low82.3Confident86 Ų8647.6 Ų47.660%0.60124%0.24SC*.  trans-91.90-165.273.60000119.4L478 E479L478-S481 VanDerWaalsContact O-CB 3.23Å; L478-S481 WeakPolarHBondContact O-CB 3.49Å; L478-S481 PolarHBondContact O-N 3.32Å; L478-S481 PolarHBondContact O-OG 3.22Å; E479-S481 PolarHBondContact O-N 3.5Å; E479-S481 VanDerWaalsContact O-N 3.17Å

Retrieved 481 of 481 residues in 1649.2 ms (Link to these results)

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