A0A077ZE85_TRITR Loading...

Bromodomain domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 604 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
1M33.6Very low53Low244 Ų244117.9 Ų117.9100%1.20264%0.641SS**  0131.90-72.8-163.6152.500107.4
2S32.2Very low55.7Low130 Ų130114.5 Ų114.591%0.90962%0.622SS**  trans-27122.3-154.1-52.70000119.5
3T31.4Very low58.2Low137 Ų137110 Ų11084%0.8460%0.601SS**  trans-85.4118.6-177.947.20000112.4
4D36.5Very low60.4Low113 Ų113102.1 Ų102.160%0.60456%0.558SS**  trans-93.8108.8175.2-163.2-1.2000109.9R6 S7D4-R6 PolarHBondContact O-N 3.45Å; D4-S7 PolarHBondContact O-N 3.1Å
5T41.4Very low62.4Low122 Ų12296 Ų9675%0.74852%0.524SS*.THydrogen-bonded Turntrans-61.4-23.1-171.8360000114.1S7 S8T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.15Å; T5-S8 PolarHBondContact O-N 3.18Å
6R43.5Very low64.1Low220 Ų22094.8 Ų94.883%0.8352%0.524SS*.THydrogen-bonded Turntrans-72.4-18.2178.6-77.7177.8170.3166.9-3114.2D4 S8D4-R6 PolarHBondContact O-N 3.45Å; R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.26Å
7S53.5Low65.7Low51 Ų5190.4 Ų90.436%0.35750%0.499SS..Hα-helixtrans-78.4-10177.4-600000113.1D4 T5 L11D4-S7 PolarHBondContact O-N 3.1Å; T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.15Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.4Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å
8S68.6Low67.1Low58 Ų5885.4 Ų85.441%0.40647%0.471SS..Hα-helixtrans-71.9-51.5-176.6126.20000112.3T5 R6 I10 L11 D12T5-S8 PolarHBondContact O-N 3.18Å; R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.26Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.42Å; S8-L11 CarbonylContact O-C 3.55Å; S8-L11 PolarHBondContact O-N 2.93Å; S8-D12 VanDerWaalsContact C-OD2 3.29Å; S8-D12 WeakPolarHBondContact O-CB 3.45Å; S8-D12 PolarHBondContact O-N 3.24Å; S8-D12 VanDerWaalsContact O-OD2 3.05Å; S8-D12 PolarHBondContact OG-OD2 3.4Å
9L77.8Confident68.3Low128 Ų12886.5 Ų86.567%0.6747%0.468SS*.Hα-helixtrans-57.4-43.8-171.8-174.969.7000112.9D12 T13L9-D12 PolarHBondContact O-N 2.83Å; L9-T13 VanDerWaalsContact O-CB 3.29Å; L9-T13 WeakPolarHBondContact O-CB 3.35Å; L9-T13 PolarHBondContact O-N 2.91Å; L9-T13 PolarHBondContact O-OG1 2.99Å
10I80.8Confident69.3Low73 Ų7382.9 Ų82.937%0.37445%0.452SS..Hα-helixtrans-64.9-46.3178.5-65.8176.3000110.3S8 T13 L14 Y63 M75S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.42Å; I10-T13 PolarHBondContact O-N 3.33Å; I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.96Å; I10-Y63 HydrophobicContact CG2-CE1 3.83Å; I10-Y63 WeakPolarHBondContact CG2-OH 3.45Å; I10-M75 HydrophobicContact CG2-CE 3.67Å
11L84Confident70.2Confident21 Ų2179.8 Ų79.811%0.1144%0.435CS..Hα-helixtrans-66-40178.7-80.1169.3000112.1S7 S8 T13 L14 I15 L29 Y32S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.4Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å; S8-L11 CarbonylContact O-C 3.55Å; S8-L11 PolarHBondContact O-N 2.93Å; L11-T13 VanDerWaalsContact C-N 3.35Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 WeakPolarHBondContact O-CB 3.36Å; L11-L14 PolarHBondContact O-N 3.34Å; L11-I15 WeakPolarHBondContact O-CB 3.27Å; L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.48Å; L11-L29 HydrophobicContact CD1-CD1 4.34Å; L11-Y32 HydrophobicContact CD2-CE1 4.41Å; L11-Y32 HydrophobicContact CD2-CE2 4.12Å
12D85.5Confident72.7Confident77 Ų7770.2 Ų70.241%0.41239%0.39SS..Hα-helixtrans-64.3-42.9176.9-65.8-31.2000110.2S8 L9 I15 C16S8-D12 VanDerWaalsContact C-OD2 3.29Å; S8-D12 WeakPolarHBondContact O-CB 3.45Å; S8-D12 PolarHBondContact O-N 3.24Å; S8-D12 VanDerWaalsContact O-OD2 3.05Å; S8-D12 PolarHBondContact OG-OD2 3.4Å; L9-D12 PolarHBondContact O-N 2.83Å; D12-I15 PolarHBondContact O-N 3.36Å; D12-C16 WeakPolarHBondContact O-CB 3.42Å; D12-C16 PolarHBondContact O-N 2.99Å; D12-C16 PolarHBondContact O-SG 2.92Å
13T88.4Confident75.2Confident56 Ų5666.6 Ų66.634%0.34437%0.373SS..Hα-helixtrans-63-47174.1-53.90000111L9 I10 L11 I15 C16 L17 M75L9-T13 VanDerWaalsContact O-CB 3.29Å; L9-T13 WeakPolarHBondContact O-CB 3.35Å; L9-T13 PolarHBondContact O-N 2.91Å; L9-T13 PolarHBondContact O-OG1 2.99Å; I10-T13 PolarHBondContact O-N 3.33Å; L11-T13 VanDerWaalsContact C-N 3.35Å; T13-I15 VanDerWaalsContact C-N 3.34Å; T13-I15 PolarHBondContact O-N 2.92Å; T13-C16 PolarHBondContact O-N 3.21Å; T13-L17 HydrophobicContact CG2-CD1 3.96Å; T13-L17 HydrophobicContact CG2-CG 4.4Å; T13-L17 WeakPolarHBondContact O-CB 3.18Å; T13-L17 WeakPolarHBondContact O-CG 3.45Å; T13-L17 PolarHBondContact O-N 3Å; T13-M75 HydrophobicContact CG2-CE 4.45Å; T13-M75 HydrophobicContact CG2-SD 4.03Å
14L88.9Confident77.8Confident0 Ų065.5 Ų65.50%035%0.353CS..Hα-helixtrans-56.4-47.7175.1-75.6170.5000111.3I10 L11 L17 L18 F36 Y63 M75 L78I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 2.96Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 WeakPolarHBondContact O-CB 3.36Å; L11-L14 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 3.22Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.44Å; L14-F36 HydrophobicContact CD2-CE2 4.5Å; L14-F36 HydrophobicContact CD2-CZ 4.45Å; L14-Y63 HydrophobicContact CD1-CD1 3.84Å; L14-Y63 HydrophobicContact CD1-CD2 4.42Å; L14-Y63 HydrophobicContact CD1-CE1 3.61Å; L14-Y63 HydrophobicContact CD1-CE2 4.21Å; L14-Y63 HydrophobicContact CD1-CG 4.23Å; L14-M75 HydrophobicContact CD1-CE 4.4Å; L14-M75 HydrophobicContact CD2-CE 3.63Å; L14-M75 HydrophobicContact CD2-SD 3.81Å; L14-M75 HydrophobicContact CG-CE 3.57Å; L14-M75 HydrophobicContact CG-SD 4.26Å; L14-L78 HydrophobicContact CD2-CD1 3.21Å
15I89.7Confident80.1Confident10 Ų1071.2 Ų71.25%0.05137%0.367CS..Hα-helixtrans-63.9-43179.6-70.4165.5000110.5L11 D12 T13 L18 R19 L29 Y32L11-I15 WeakPolarHBondContact O-CB 3.27Å; L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.48Å; D12-I15 PolarHBondContact O-N 3.36Å; T13-I15 VanDerWaalsContact C-N 3.34Å; T13-I15 PolarHBondContact O-N 2.92Å; I15-L18 PolarHBondContact O-N 3.25Å; I15-R19 WeakPolarHBondContact O-CB 3.14Å; I15-R19 VanDerWaalsContact O-CG 3.25Å; I15-R19 WeakPolarHBondContact O-CG 3.48Å; I15-R19 PolarHBondContact O-N 2.93Å; I15-L29 HydrophobicContact CD1-CB 4.33Å; I15-L29 HydrophobicContact CD1-CD1 4.08Å; I15-Y32 HydrophobicContact CG1-CG 4.45Å
16C90.3Very high82.4Confident77 Ų7770.5 Ų70.552%0.5235%0.354SS..Hα-helixtrans-63.5-43.9177.3-69.20000112D12 T13 R19 G20D12-C16 WeakPolarHBondContact O-CB 3.42Å; D12-C16 PolarHBondContact O-N 2.99Å; D12-C16 PolarHBondContact O-SG 2.92Å; T13-C16 PolarHBondContact O-N 3.21Å; C16-R19 PolarHBondContact O-N 3.35Å; C16-G20 PolarHBondContact O-N 3.38Å
17L91.6Very high84.5Confident20 Ų2060 Ų6011%0.10532%0.315CS..Hα-helixtrans-62.4-47.1175.3-72.2169.5000111.1T13 L14 R19 G20 I21 M75 L78 R82T13-L17 HydrophobicContact CG2-CD1 3.96Å; T13-L17 HydrophobicContact CG2-CG 4.4Å; T13-L17 WeakPolarHBondContact O-CB 3.18Å; T13-L17 WeakPolarHBondContact O-CG 3.45Å; T13-L17 PolarHBondContact O-N 3Å; L14-L17 PolarHBondContact O-N 3.22Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 2.92Å; L17-G20 PolarHBondContact O-N 3.42Å; L17-G20 VanDerWaalsContact O-N 3.15Å; L17-I21 HydrophobicContact CB-CD1 4.44Å; L17-I21 WeakPolarHBondContact O-CB 3.48Å; L17-I21 WeakPolarHBondContact O-CD1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.36Å; L17-I21 PolarHBondContact O-N 3Å; L17-M75 HydrophobicContact CD1-SD 3.6Å; L17-L78 HydrophobicContact CB-CB 4.21Å; L17-L78 HydrophobicContact CD1-CB 3.78Å; L17-L78 HydrophobicContact CD1-CD1 4.45Å; L17-R82 HydrophobicContact CD2-CB 3.81Å; L17-R82 HydrophobicContact CD2-CG 3.98Å
18L90.2Very high86.1Confident0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-60.3-40.2177.4-72.6168.3000112.2L14 I15 T22 V27 Y32 F36 L39 L78L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.44Å; I15-L18 PolarHBondContact O-N 3.25Å; L18-T22 WeakPolarHBondContact O-CB 3.35Å; L18-T22 WeakPolarHBondContact O-CG2 3.45Å; L18-T22 PolarHBondContact O-N 2.97Å; L18-T22 PolarHBondContact O-OG1 3.45Å; L18-V27 HydrophobicContact CB-CG1 4.03Å; L18-V27 HydrophobicContact CD1-CG1 4.47Å; L18-Y32 HydrophobicContact CD1-CD2 4.44Å; L18-F36 HydrophobicContact CD1-CB 3.9Å; L18-F36 HydrophobicContact CD1-CG 4.46Å; L18-F36 HydrophobicContact CD2-CB 4.19Å; L18-F36 HydrophobicContact CD2-CD2 4.14Å; L18-L39 HydrophobicContact CD2-CD2 3.96Å; L18-L78 HydrophobicContact CD2-CD2 4.06Å
19R91Very high87Confident106 Ų10661.7 Ų61.740%0.432%0.318SS..Hα-helixtrans-61.2-45.9174-74.6171.5176.5170.8-0.7111.5I15 C16 L17 G23 V27I15-R19 WeakPolarHBondContact O-CB 3.14Å; I15-R19 VanDerWaalsContact O-CG 3.25Å; I15-R19 WeakPolarHBondContact O-CG 3.48Å; I15-R19 PolarHBondContact O-N 2.93Å; C16-R19 PolarHBondContact O-N 3.35Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 2.92Å; R19-G23 VanDerWaalsContact O-CA 3.31Å; R19-G23 WeakPolarHBondContact O-CA 3.4Å; R19-G23 PolarHBondContact O-N 3.16Å; R19-V27 HydrophobicContact CG-CB 3.87Å; R19-V27 VanDerWaalsContact CZ-O 3.28Å; R19-V27 PolarHBondContact NE-O 3.23Å; R19-V27 PolarHBondContact NH2-O 3.38Å
20G88Confident87.3Confident15 Ų1563.1 Ų63.116%0.15533%0.326CS..Hα-helixtrans-65.5-40.3178.300000113.6C16 L17 R85C16-G20 PolarHBondContact O-N 3.38Å; L17-G20 PolarHBondContact O-N 3.42Å; L17-G20 VanDerWaalsContact O-N 3.15Å; G20-R85 PolarHBondContact O-NE 3.28Å
21I88.5Confident87.6Confident18 Ų1861.9 Ų61.99%0.09232%0.321CS..Hα-helixtrans-72.3-46.7-179.8-64.4161.5000111.1L17 L39 L78 L81 R82 R85L17-I21 HydrophobicContact CB-CD1 4.44Å; L17-I21 WeakPolarHBondContact O-CB 3.48Å; L17-I21 WeakPolarHBondContact O-CD1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.36Å; L17-I21 PolarHBondContact O-N 3Å; I21-L39 HydrophobicContact CD1-CD2 4.1Å; I21-L39 HydrophobicContact CG2-CD1 3.86Å; I21-L39 HydrophobicContact CG2-CD2 4.03Å; I21-L78 HydrophobicContact CD1-CB 4.26Å; I21-L78 HydrophobicContact CD1-CD2 3.58Å; I21-L78 WeakPolarHBondContact CD1-O 3.41Å; I21-L81 HydrophobicContact CD1-CB 3.92Å; I21-L81 HydrophobicContact CG1-CB 4.24Å; I21-R82 HydrophobicContact CG1-CB 4.2Å; I21-R85 WeakPolarHBondContact O-CD 3.39Å; I21-R85 PolarHBondContact O-NE 3.03Å
22T85.6Confident87.8Confident43 Ų4362.2 Ų62.226%0.26432%0.32SS..Hα-helixtrans-82.4-17.9-176620000113.5L18 R24L18-T22 WeakPolarHBondContact O-CB 3.35Å; L18-T22 WeakPolarHBondContact O-CG2 3.45Å; L18-T22 PolarHBondContact O-N 2.97Å; L18-T22 PolarHBondContact O-OG1 3.45Å; T22-R24 PolarHBondContact O-N 3.4Å; T22-R24 WeakPolarHBondContact OG1-CB 3.46Å; T22-R24 PolarHBondContact OG1-N 3.3Å
23G85.1Confident87.8Confident53 Ų5360.8 Ų60.855%0.54631%0.313SS..  trans67.67.8-169.900000113.8R19R19-G23 VanDerWaalsContact O-CA 3.31Å; R19-G23 WeakPolarHBondContact O-CA 3.4Å; R19-G23 PolarHBondContact O-N 3.16Å
24R85.3Confident87.6Confident114 Ų11466.6 Ų66.643%0.4333%0.329SS..  trans-99.6114.5-172.7-68.3178.2177.5-125.40.3111.4T22 E26 V27T22-R24 PolarHBondContact O-N 3.4Å; T22-R24 WeakPolarHBondContact OG1-CB 3.46Å; T22-R24 PolarHBondContact OG1-N 3.3Å; R24-E26 HydrophobicContact CB-CG 4.18Å; R24-E26 WeakPolarHBondContact CD-OE1 3.15Å; R24-E26 IonicContact CZ-OE1 3.78Å; R24-E26 IonicContact NH1-OE1 2.84Å; R24-E26 PolarHBondContact NH1-OE1 3.04Å; R24-E26 PolarHBondContact O-N 3.47Å; R24-V27 HydrophobicContact CB-CG2 4.08Å; R24-V27 WeakPolarHBondContact O-CG2 3.31Å
25R85.3Confident87.5Confident234 Ų23468.6 Ų68.688%0.88334%0.336SS*.THydrogen-bonded Turntrans-68.8-21.4175.6-63.6-176.3-178.9-178.60.4113.3V27R25-V27 PolarHBondContact O-N 2.92Å
26E88.7Confident87.4Confident106 Ų10668.1 Ų68.150%0.49533%0.334SS..THydrogen-bonded Turntrans-71.3-9.3-179.172.9-163.2170.100114.4R24 S28 N31 Y35R24-E26 HydrophobicContact CB-CG 4.18Å; R24-E26 WeakPolarHBondContact CD-OE1 3.15Å; R24-E26 IonicContact CZ-OE1 3.78Å; R24-E26 IonicContact NH1-OE1 2.84Å; R24-E26 PolarHBondContact NH1-OE1 3.04Å; R24-E26 PolarHBondContact O-N 3.47Å; E26-S28 PolarHBondContact O-N 3.36Å; E26-N31 PolarHBondContact O-ND2 2.86Å; E26-Y35 WeakPolarHBondContact CG-OH 3.36Å; E26-Y35 PolarHBondContact OE1-OH 3.19Å
27V87.4Confident87.2Confident0 Ų065.5 Ų65.50%031%0.313CS..  trans-64.8122175.4-176.90000108.9L18 R19 R24 R25 N31 Y35L18-V27 HydrophobicContact CB-CG1 4.03Å; L18-V27 HydrophobicContact CD1-CG1 4.47Å; R19-V27 HydrophobicContact CG-CB 3.87Å; R19-V27 VanDerWaalsContact CZ-O 3.28Å; R19-V27 PolarHBondContact NE-O 3.23Å; R19-V27 PolarHBondContact NH2-O 3.38Å; R24-V27 HydrophobicContact CB-CG2 4.08Å; R24-V27 WeakPolarHBondContact O-CG2 3.31Å; R25-V27 PolarHBondContact O-N 2.92Å; V27-N31 WeakPolarHBondContact CA-OD1 3.33Å; V27-Y35 HydrophobicContact CB-CD2 4.46Å; V27-Y35 HydrophobicContact CG1-CD2 4.29Å; V27-Y35 HydrophobicContact CG2-CD1 4.28Å; V27-Y35 HydrophobicContact CG2-CD2 3.83Å; V27-Y35 HydrophobicContact CG2-CE2 4.05Å; V27-Y35 HydrophobicContact CG2-CG 3.96Å
28S88.4Confident86.9Confident40 Ų4072.3 Ų72.328%0.2834%0.338SS..  trans-141.3169.8-173.667.60000110.2E26 N30 N31 Y32E26-S28 PolarHBondContact O-N 3.36Å; S28-N30 PolarHBondContact O-N 3.05Å; S28-N30 PolarHBondContact OG-N 2.82Å; S28-N31 PolarHBondContact N-OD1 3.4Å; S28-N31 PolarHBondContact O-N 2.91Å; S28-N31 VanDerWaalsContact O-N 3.11Å; S28-N31 PolarHBondContact O-OD1 3.35Å; S28-N31 VanDerWaalsContact O-OD1 3.09Å; S28-N31 PolarHBondContact OG-OD1 3.29Å; S28-Y32 WeakPolarHBondContact O-CB 3.49Å; S28-Y32 PolarHBondContact O-N 3.36Å
29L86.3Confident86.7Confident105 Ų10573 Ų7355%0.5534%0.341SS..THydrogen-bonded Turntrans-56.3-25.4177-169.268.9000113.3L11 I15 Y32L11-L29 HydrophobicContact CD1-CD1 4.34Å; I15-L29 HydrophobicContact CD1-CB 4.33Å; I15-L29 HydrophobicContact CD1-CD1 4.08Å; L29-Y32 HydrophobicContact CD1-CE1 4.34Å; L29-Y32 WeakPolarHBondContact O-CD1 3.25Å; L29-Y32 WeakPolarHBondContact O-CE1 3.28Å
30N83.7Confident86.4Confident157 Ų15768 Ų6884%0.8432%0.322SS*.THydrogen-bonded Turntrans-85.2-18.7-178.2-65.7-23.6000113.8S28S28-N30 PolarHBondContact O-N 3.05Å; S28-N30 PolarHBondContact OG-N 2.82Å
31N87.2Confident86.1Confident48 Ų4870 Ų7026%0.25733%0.331SS..THydrogen-bonded Turntrans-129.1-7-173.868.215.5000114.2E26 V27 S28 N33 R34 Y35E26-N31 PolarHBondContact O-ND2 2.86Å; V27-N31 WeakPolarHBondContact CA-OD1 3.33Å; S28-N31 PolarHBondContact N-OD1 3.4Å; S28-N31 PolarHBondContact O-N 2.91Å; S28-N31 VanDerWaalsContact O-N 3.11Å; S28-N31 PolarHBondContact O-OD1 3.35Å; S28-N31 VanDerWaalsContact O-OD1 3.09Å; S28-N31 PolarHBondContact OG-OD1 3.29Å; N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 VanDerWaalsContact O-N 3.13Å; N31-R34 WeakPolarHBondContact O-CB 3.39Å; N31-R34 PolarHBondContact O-N 2.48Å; N31-Y35 HydrophobicContact CB-CE2 4.16Å; N31-Y35 VanDerWaalsContact O-CD2 3.32Å; N31-Y35 WeakPolarHBondContact O-CD2 3.38Å
32Y88.1Confident85.5Confident27 Ų2774 Ų7411%0.10635%0.353CS..Hα-helixtrans-53.9-38.5-176.379.7-82.9000112.1L11 I15 L18 S28 L29 R34 Y35 F36L11-Y32 HydrophobicContact CD2-CE1 4.41Å; L11-Y32 HydrophobicContact CD2-CE2 4.12Å; I15-Y32 HydrophobicContact CG1-CG 4.45Å; L18-Y32 HydrophobicContact CD1-CD2 4.44Å; S28-Y32 WeakPolarHBondContact O-CB 3.49Å; S28-Y32 PolarHBondContact O-N 3.36Å; L29-Y32 HydrophobicContact CD1-CE1 4.34Å; L29-Y32 WeakPolarHBondContact O-CD1 3.25Å; L29-Y32 WeakPolarHBondContact O-CE1 3.28Å; Y32-R34 PolarHBondContact O-N 3.37Å; Y32-Y35 PolarHBondContact O-N 3.12Å; Y32-F36 VanDerWaalsContact O-CB 3.25Å; Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 3.19Å
33N86.3Confident85.3Confident47 Ų4777.1 Ų77.125%0.25136%0.361SS..Hα-helixtrans-58.9-35.8-177.2-163.942.5000111.9N31 Y37 A61N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 VanDerWaalsContact O-N 3.13Å; N33-Y37 WeakPolarHBondContact O-CB 3.46Å; N33-Y37 PolarHBondContact O-N 3.07Å; N33-A61 PolarHBondContact ND2-O 2.95Å
34R84.9Confident84.9Confident179 Ų17975.1 Ų75.168%0.67534%0.337SS*.Hα-helixtrans-67.5-43.4176.5-177.3177.8179.8164.50.4111.8N31 Y32 R38 I58N31-R34 WeakPolarHBondContact O-CB 3.39Å; N31-R34 PolarHBondContact O-N 2.48Å; Y32-R34 PolarHBondContact O-N 3.37Å; R34-R38 VanDerWaalsContact O-CB 3.32Å; R34-R38 WeakPolarHBondContact O-CB 3.48Å; R34-R38 PolarHBondContact O-N 3.38Å; R34-R38 VanDerWaalsContact O-N 3.13Å; R34-I58 HydrophobicContact CG-CD1 4.25Å
35Y86.7Confident84.4Confident41 Ų4175.5 Ų75.516%0.16134%0.343CS..Hα-helixtrans-67.9-44.7177.7-69.4-76.8000111.4E26 V27 N31 Y32 R38 L39E26-Y35 WeakPolarHBondContact CG-OH 3.36Å; E26-Y35 PolarHBondContact OE1-OH 3.19Å; V27-Y35 HydrophobicContact CB-CD2 4.46Å; V27-Y35 HydrophobicContact CG1-CD2 4.29Å; V27-Y35 HydrophobicContact CG2-CD1 4.28Å; V27-Y35 HydrophobicContact CG2-CD2 3.83Å; V27-Y35 HydrophobicContact CG2-CE2 4.05Å; V27-Y35 HydrophobicContact CG2-CG 3.96Å; N31-Y35 HydrophobicContact CB-CE2 4.16Å; N31-Y35 VanDerWaalsContact O-CD2 3.32Å; N31-Y35 WeakPolarHBondContact O-CD2 3.38Å; Y32-Y35 PolarHBondContact O-N 3.12Å; Y35-R38 PolarHBondContact O-N 2.87Å; Y35-L39 WeakPolarHBondContact O-CB 3.39Å; Y35-L39 PolarHBondContact O-N 3.15Å
36F87.8Confident83.8Confident0 Ų068.2 Ų68.20%033%0.334CS..Hα-helixtrans-63.6-48.6179.9-175.5-136.1000112L14 L18 Y32 R38 L39 M40 F54 Y63 L74 L78L14-F36 HydrophobicContact CD2-CE2 4.5Å; L14-F36 HydrophobicContact CD2-CZ 4.45Å; L18-F36 HydrophobicContact CD1-CB 3.9Å; L18-F36 HydrophobicContact CD1-CG 4.46Å; L18-F36 HydrophobicContact CD2-CB 4.19Å; L18-F36 HydrophobicContact CD2-CD2 4.14Å; Y32-F36 VanDerWaalsContact O-CB 3.25Å; Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 3.19Å; F36-R38 PolarHBondContact O-N 2.67Å; F36-L39 PolarHBondContact O-N 2.85Å; F36-M40 HydrophobicContact CD2-CE 4.14Å; F36-M40 HydrophobicContact CD2-CG 3.99Å; F36-M40 HydrophobicContact CE2-CE 3.55Å; F36-M40 HydrophobicContact CE2-CG 3.78Å; F36-M40 HydrophobicContact CE2-SD 4.44Å; F36-M40 HydrophobicContact CZ-CG 4.36Å; F36-M40 WeakPolarHBondContact O-CG 3.44Å; F36-M40 PolarHBondContact O-N 3Å; F36-F54 HydrophobicContact CD1-CE2 4.32Å; F36-F54 AromaticContact CD1-CZ 3.98Å; F36-F54 HydrophobicContact CD1-CZ 3.98Å; F36-F54 HydrophobicContact CE1-CE1 4.37Å; F36-F54 AromaticContact CE1-CE2 3.86Å; F36-F54 HydrophobicContact CE1-CE2 3.86Å; F36-F54 AromaticContact CE1-CZ 3.38Å; F36-F54 HydrophobicContact CE1-CZ 3.38Å; F36-F54 HydrophobicContact CZ-CE2 4.19Å; F36-F54 HydrophobicContact CZ-CZ 4.01Å; F36-Y63 AromaticContact CE1-CD2 3.66Å; F36-Y63 HydrophobicContact CE1-CD2 3.66Å; F36-Y63 HydrophobicContact CE1-CG 4.15Å; F36-Y63 AromaticContact CZ-CD2 3.93Å; F36-Y63 HydrophobicContact CZ-CD2 3.93Å; F36-Y63 HydrophobicContact CZ-CE2 4.39Å; F36-L74 HydrophobicContact CE2-CD2 4.26Å; F36-L74 HydrophobicContact CZ-CB 4.09Å; F36-L74 HydrophobicContact CZ-CD1 4.08Å; F36-L74 HydrophobicContact CZ-CD2 3.89Å; F36-L74 HydrophobicContact CZ-CG 4.27Å; F36-L78 HydrophobicContact CD2-CD1 4.24Å; F36-L78 HydrophobicContact CD2-CD2 4.35Å; F36-L78 HydrophobicContact CE2-CD1 3.69Å; F36-L78 HydrophobicContact CE2-CD2 4.26Å; F36-L78 HydrophobicContact CE2-CG 4.16Å
37Y86.3Confident82.8Confident23 Ų2366.6 Ų66.69%0.0933%0.328CS..Hα-helixtrans-57.4-51.2174.9179.7-96.4000111N33 L39 M40 T41 F54 G55 P56 D57 I58 A61N33-Y37 WeakPolarHBondContact O-CB 3.46Å; N33-Y37 PolarHBondContact O-N 3.07Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; Y37-L39 PolarHBondContact O-N 3.32Å; Y37-M40 PolarHBondContact O-N 3.38Å; Y37-T41 PolarHBondContact O-N 3.49Å; Y37-T41 PolarHBondContact O-OG1 2.97Å; Y37-F54 HydrophobicContact CD2-CB 3.68Å; Y37-F54 HydrophobicContact CD2-CD2 4.49Å; Y37-F54 HydrophobicContact CD2-CG 4.13Å; Y37-F54 HydrophobicContact CE2-CB 3.66Å; Y37-G55 WeakPolarHBondContact CE2-O 3.19Å; Y37-G55 PolarHBondContact OH-O 3.01Å; Y37-P56 WeakPolarHBondContact OH-CA 3.43Å; Y37-P56 PolarHBondContact OH-O 3.14Å; Y37-D57 PolarHBondContact OH-N 3Å; Y37-I58 HydrophobicContact CD1-CB 3.91Å; Y37-I58 HydrophobicContact CD1-CD1 3.77Å; Y37-I58 HydrophobicContact CD1-CG1 3.61Å; Y37-I58 HydrophobicContact CE1-CB 3.73Å; Y37-I58 HydrophobicContact CE1-CD1 4.3Å; Y37-I58 HydrophobicContact CE1-CG1 3.99Å; Y37-I58 HydrophobicContact CG-CB 4.45Å; Y37-I58 HydrophobicContact CG-CD1 4.42Å; Y37-I58 HydrophobicContact CG-CG1 3.95Å; Y37-A61 HydrophobicContact CD2-CB 3.32Å; Y37-A61 HydrophobicContact CE2-CB 3.79Å; Y37-A61 HydrophobicContact CG-CB 4.17Å
38R84.3Confident82.1Confident163 Ų16369.7 Ų69.762%0.61536%0.36SS*.Hα-helixtrans-59.7-39.5179.7-174179179.6179.41.1112.5R34 Y35 F36 N42R34-R38 VanDerWaalsContact O-CB 3.32Å; R34-R38 WeakPolarHBondContact O-CB 3.48Å; R34-R38 PolarHBondContact O-N 3.38Å; R34-R38 VanDerWaalsContact O-N 3.13Å; Y35-R38 PolarHBondContact O-N 2.87Å; F36-R38 PolarHBondContact O-N 2.67Å; R38-N42 PolarHBondContact O-N 2.84Å
39L86.1Confident81.3Confident15 Ų1571.3 Ų71.38%0.07936%0.362CS..Hα-helixtrans-64.6-49.8176.4-172.673.7000110.2L18 I21 Y35 F36 Y37 T41 N42 Y43 L78 L81L18-L39 HydrophobicContact CD2-CD2 3.96Å; I21-L39 HydrophobicContact CD1-CD2 4.1Å; I21-L39 HydrophobicContact CG2-CD1 3.86Å; I21-L39 HydrophobicContact CG2-CD2 4.03Å; Y35-L39 WeakPolarHBondContact O-CB 3.39Å; Y35-L39 PolarHBondContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 2.85Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; Y37-L39 PolarHBondContact O-N 3.32Å; L39-T41 PolarHBondContact O-N 3.45Å; L39-N42 PolarHBondContact O-N 2.83Å; L39-N42 VanDerWaalsContact O-N 3.14Å; L39-Y43 HydrophobicContact CD1-CD2 3.54Å; L39-Y43 HydrophobicContact CD1-CE2 3.68Å; L39-Y43 HydrophobicContact CG-CD2 4.13Å; L39-Y43 WeakPolarHBondContact O-CB 3.33Å; L39-Y43 WeakPolarHBondContact O-CD2 3.33Å; L39-Y43 PolarHBondContact O-N 3.23Å; L39-L78 HydrophobicContact CD2-CD2 3.51Å; L39-L81 HydrophobicContact CD2-CD1 4.05Å; L39-L81 HydrophobicContact CG-CD1 4.23Å
40M84.2Confident80.8Confident0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-68-35.3-177.8-66.7-58.6162.700112.6F36 Y37 N42 Y43 W44 F54 L74 A77 L78F36-M40 HydrophobicContact CD2-CE 4.14Å; F36-M40 HydrophobicContact CD2-CG 3.99Å; F36-M40 HydrophobicContact CE2-CE 3.55Å; F36-M40 HydrophobicContact CE2-CG 3.78Å; F36-M40 HydrophobicContact CE2-SD 4.44Å; F36-M40 HydrophobicContact CZ-CG 4.36Å; F36-M40 WeakPolarHBondContact O-CG 3.44Å; F36-M40 PolarHBondContact O-N 3Å; Y37-M40 PolarHBondContact O-N 3.38Å; M40-N42 PolarHBondContact O-N 3.32Å; M40-Y43 PolarHBondContact O-N 2.96Å; M40-W44 WeakPolarHBondContact O-CB 3.32Å; M40-W44 PolarHBondContact O-N 3.05Å; M40-W44 HydrophobicContact SD-CE3 3.75Å; M40-W44 HydrophobicContact SD-CZ3 4.39Å; M40-F54 HydrophobicContact CB-CD2 4.19Å; M40-F54 HydrophobicContact CB-CE2 4.17Å; M40-F54 HydrophobicContact CG-CE2 4.17Å; M40-L74 HydrophobicContact CE-CD2 4Å; M40-L74 HydrophobicContact CG-CD2 3.68Å; M40-L74 HydrophobicContact SD-CD2 3.57Å; M40-L74 VanDerWaalsContact SD-CD2 3.57Å; M40-A77 HydrophobicContact CE-CB 4.45Å; M40-L78 HydrophobicContact CE-CD1 4.43Å; M40-L78 HydrophobicContact CE-CD2 3.5Å; M40-L78 HydrophobicContact CE-CG 3.57Å
41T81.6Confident80.5Confident56 Ų5665.7 Ų65.734%0.34435%0.347SS..Hα-helixtrans-60.2-34.9172.3-54.40000112.6Y37 L39 N52Y37-T41 PolarHBondContact O-N 3.49Å; Y37-T41 PolarHBondContact O-OG1 2.97Å; L39-T41 PolarHBondContact O-N 3.45Å; T41-N52 VanDerWaalsContact CA-ND2 3.34Å; T41-N52 WeakPolarHBondContact CA-ND2 3.22Å; T41-N52 PolarHBondContact N-ND2 3.01Å; T41-N52 PolarHBondContact OG1-ND2 3.17Å
42N77.1Confident80.1Confident102 Ų10264.3 Ų64.355%0.54534%0.339SS..Hα-helixtrans-87.5-30.2-177.7-69.9-7.1000113.5R38 L39 M40R38-N42 PolarHBondContact O-N 2.84Å; L39-N42 PolarHBondContact O-N 2.83Å; L39-N42 VanDerWaalsContact O-N 3.14Å; M40-N42 PolarHBondContact O-N 3.32Å
43Y80Confident79.7Confident110 Ų11065.1 Ų65.143%0.43135%0.348SS..Hα-helixtrans-112.7-23.7-169.3-73.8-85.1000114.2L39 M40 E45 A46 L47 L81L39-Y43 HydrophobicContact CD1-CD2 3.54Å; L39-Y43 HydrophobicContact CD1-CE2 3.68Å; L39-Y43 HydrophobicContact CG-CD2 4.13Å; L39-Y43 WeakPolarHBondContact O-CB 3.33Å; L39-Y43 WeakPolarHBondContact O-CD2 3.33Å; L39-Y43 PolarHBondContact O-N 3.23Å; M40-Y43 PolarHBondContact O-N 2.96Å; Y43-E45 PolarHBondContact O-N 3.3Å; Y43-A46 PolarHBondContact O-N 3.07Å; Y43-L47 WeakPolarHBondContact O-CB 3.17Å; Y43-L47 WeakPolarHBondContact O-CG 3.25Å; Y43-L47 PolarHBondContact O-N 3.46Å; Y43-L81 HydrophobicContact CD1-CD2 3.76Å; Y43-L81 HydrophobicContact CE1-CD2 4.23Å; Y43-L81 HydrophobicContact CG-CD1 4.35Å; Y43-L81 HydrophobicContact CG-CD2 4.16Å
44W77.4Confident79.5Confident11 Ų1163.6 Ų63.64%0.04234%0.339CS..THydrogen-bonded Turntrans-62.4-50.2-174.2-173.4-92.1000112.5M40 L47 F49 P51 P53 K73 L74 A77M40-W44 WeakPolarHBondContact O-CB 3.32Å; M40-W44 PolarHBondContact O-N 3.05Å; M40-W44 HydrophobicContact SD-CE3 3.75Å; M40-W44 HydrophobicContact SD-CZ3 4.39Å; W44-L47 PolarHBondContact O-N 3.45Å; W44-F49 HydrophobicContact CD2-CB 3.94Å; W44-F49 HydrophobicContact CD2-CD2 4.31Å; W44-F49 VanDerWaalsContact CE2-CB 3.47Å; W44-F49 HydrophobicContact CE3-CD2 4.15Å; W44-F49 HydrophobicContact CG-CB 4.3Å; W44-F49 HydrophobicContact CH2-CB 4.39Å; W44-F49 HydrophobicContact CZ2-CB 3.77Å; W44-F49 HydrophobicContact CZ2-CG 4.4Å; W44-F49 HydrophobicContact CZ3-CD2 4.26Å; W44-F49 PolarHBondContact NE1-O 3.47Å; W44-F49 PolarHBondContact O-N 2.87Å; W44-P51 PolarHBondContact NE1-O 3.22Å; W44-P53 HydrophobicContact CD2-CG 4.45Å; W44-P53 VanDerWaalsContact CE2-CD 3.44Å; W44-P53 HydrophobicContact CH2-CG 4.45Å; W44-P53 HydrophobicContact CZ2-CG 3.99Å; W44-K73 HydrophobicContact CH2-CB 4Å; W44-L74 HydrophobicContact CE3-CD2 3.62Å; W44-L74 HydrophobicContact CE3-CG 4.45Å; W44-L74 HydrophobicContact CH2-CD2 3.95Å; W44-L74 HydrophobicContact CH2-CG 3.88Å; W44-L74 HydrophobicContact CZ3-CB 4.35Å; W44-L74 HydrophobicContact CZ3-CD2 3.26Å; W44-L74 HydrophobicContact CZ3-CG 3.63Å; W44-A77 HydrophobicContact CZ3-CB 4.27Å
45E74.8Confident79.3Confident121 Ų12156.5 Ų56.557%0.56532%0.322SS*.THydrogen-bonded Turntrans-68.3-36.6176.2-73.2172.5-168.700111.2Y43 L47 G48 G50Y43-E45 PolarHBondContact O-N 3.3Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.26Å; E45-G48 PolarHBondContact O-N 3.3Å; E45-G50 VanDerWaalsContact CG-O 3.24Å; E45-G50 WeakPolarHBondContact CG-O 3.45Å
46A72.8Confident78.9Confident82 Ų8261 Ų6168%0.67836%0.355SS*.THydrogen-bonded Turntrans-65.5-27.5176.400000113.5Y43 G48Y43-A46 PolarHBondContact O-N 3.07Å; A46-G48 VanDerWaalsContact C-N 3.27Å
47L68.4Low78.4Confident71 Ų7163.5 Ų63.537%0.37237%0.369SS..THydrogen-bonded Turntrans-82.3-2.2174.2-69.6167.8000112.8Y43 W44 E45 F49 A77 L81Y43-L47 WeakPolarHBondContact O-CB 3.17Å; Y43-L47 WeakPolarHBondContact O-CG 3.25Å; Y43-L47 PolarHBondContact O-N 3.46Å; W44-L47 PolarHBondContact O-N 3.45Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.26Å; L47-F49 HydrophobicContact CB-CD2 3.52Å; L47-F49 HydrophobicContact CB-CE2 3.51Å; L47-F49 HydrophobicContact CB-CG 4.48Å; L47-F49 HydrophobicContact CB-CZ 4.46Å; L47-F49 HydrophobicContact CD1-CD2 4.24Å; L47-F49 HydrophobicContact CD1-CE2 3.84Å; L47-F49 HydrophobicContact CG-CE2 4.24Å; L47-A77 HydrophobicContact CD1-CB 4.22Å; L47-L81 HydrophobicContact CD1-CD1 4.34Å; L47-L81 HydrophobicContact CD1-CD2 4.4Å; L47-L81 HydrophobicContact CD1-CG 4.29Å
48G71.8Confident78Confident65 Ų6565.6 Ų65.667%0.6738%0.381SS*.THydrogen-bonded Turntrans79.814.4177.700000114.8E45 A46 G50E45-G48 PolarHBondContact O-N 3.3Å; A46-G48 VanDerWaalsContact C-N 3.27Å; G48-G50 PolarHBondContact O-N 3.34Å
49F71.4Confident77.6Confident74 Ų7464.7 Ų64.733%0.32539%0.389SS..  trans-82.212.7-178.7-64.1-56.3000114.7W44 L47 Y76 A77W44-F49 HydrophobicContact CD2-CB 3.94Å; W44-F49 HydrophobicContact CD2-CD2 4.31Å; W44-F49 VanDerWaalsContact CE2-CB 3.47Å; W44-F49 HydrophobicContact CE3-CD2 4.15Å; W44-F49 HydrophobicContact CG-CB 4.3Å; W44-F49 HydrophobicContact CH2-CB 4.39Å; W44-F49 HydrophobicContact CZ2-CB 3.77Å; W44-F49 HydrophobicContact CZ2-CG 4.4Å; W44-F49 HydrophobicContact CZ3-CD2 4.26Å; W44-F49 PolarHBondContact NE1-O 3.47Å; W44-F49 PolarHBondContact O-N 2.87Å; L47-F49 HydrophobicContact CB-CD2 3.52Å; L47-F49 HydrophobicContact CB-CE2 3.51Å; L47-F49 HydrophobicContact CB-CG 4.48Å; L47-F49 HydrophobicContact CB-CZ 4.46Å; L47-F49 HydrophobicContact CD1-CD2 4.24Å; L47-F49 HydrophobicContact CD1-CE2 3.84Å; L47-F49 HydrophobicContact CG-CE2 4.24Å; F49-Y76 HydrophobicContact CZ-CD1 4.36Å; F49-Y76 HydrophobicContact CZ-CE1 4.39Å; F49-A77 HydrophobicContact CE2-CB 3.88Å
50G76Confident77.1Confident36 Ų3671.2 Ų71.237%0.37142%0.416SS..  trans78.8-159.3-177.400000113.4E45 G48E45-G50 VanDerWaalsContact CG-O 3.24Å; E45-G50 WeakPolarHBondContact CG-O 3.45Å; G48-G50 PolarHBondContact O-N 3.34Å
51P76.4Confident76.8Confident109 Ų10971.5 Ų71.571%0.70842%0.418SS*.SBendtrans-66.2143.8-175.627.1-33.8000111.5W44 P53W44-P51 PolarHBondContact NE1-O 3.22Å; P51-P53 WeakPolarHBondContact O-CD 3.36Å
52N80.7Confident76.9Confident19 Ų1971.3 Ų71.310%0.10242%0.415CS..  trans-57.5121.3179.7179.8-5.5000111.8T41 F54 G55T41-N52 VanDerWaalsContact CA-ND2 3.34Å; T41-N52 WeakPolarHBondContact CA-ND2 3.22Å; T41-N52 PolarHBondContact N-ND2 3.01Å; T41-N52 PolarHBondContact OG1-ND2 3.17Å; N52-F54 PolarHBondContact O-N 2.84Å; N52-F54 VanDerWaalsContact O-N 3.1Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.4Å; N52-F54 PolarHBondContact OD1-N 3.02Å; N52-G55 PolarHBondContact O-N 3.39Å
53P79.6Confident77.1Confident43 Ų4366.8 Ų66.828%0.27939%0.391SS..THydrogen-bonded Turntrans-66.1-15.4-175.827-36.9000114W44 P51 G55 L66 V70W44-P53 HydrophobicContact CD2-CG 4.45Å; W44-P53 VanDerWaalsContact CE2-CD 3.44Å; W44-P53 HydrophobicContact CH2-CG 4.45Å; W44-P53 HydrophobicContact CZ2-CG 3.99Å; P51-P53 WeakPolarHBondContact O-CD 3.36Å; P53-G55 VanDerWaalsContact C-N 3.35Å; P53-L66 HydrophobicContact CB-CD1 4.41Å; P53-L66 HydrophobicContact CB-CD2 4.19Å; P53-L66 HydrophobicContact CG-CD1 4.48Å; P53-V70 HydrophobicContact CB-CG1 3.66Å; P53-V70 HydrophobicContact CG-CG1 3.8Å
54F82Confident77.2Confident16 Ų1665.2 Ų65.27%0.0739%0.387CS..THydrogen-bonded Turntrans-81.1-13.4176-65.5-67.4000113.9F36 Y37 M40 N52 A61 L66 L74F36-F54 HydrophobicContact CD1-CE2 4.32Å; F36-F54 AromaticContact CD1-CZ 3.98Å; F36-F54 HydrophobicContact CD1-CZ 3.98Å; F36-F54 HydrophobicContact CE1-CE1 4.37Å; F36-F54 AromaticContact CE1-CE2 3.86Å; F36-F54 HydrophobicContact CE1-CE2 3.86Å; F36-F54 AromaticContact CE1-CZ 3.38Å; F36-F54 HydrophobicContact CE1-CZ 3.38Å; F36-F54 HydrophobicContact CZ-CE2 4.19Å; F36-F54 HydrophobicContact CZ-CZ 4.01Å; Y37-F54 HydrophobicContact CD2-CB 3.68Å; Y37-F54 HydrophobicContact CD2-CD2 4.49Å; Y37-F54 HydrophobicContact CD2-CG 4.13Å; Y37-F54 HydrophobicContact CE2-CB 3.66Å; M40-F54 HydrophobicContact CB-CD2 4.19Å; M40-F54 HydrophobicContact CB-CE2 4.17Å; M40-F54 HydrophobicContact CG-CE2 4.17Å; N52-F54 PolarHBondContact O-N 2.84Å; N52-F54 VanDerWaalsContact O-N 3.1Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.4Å; N52-F54 PolarHBondContact OD1-N 3.02Å; F54-A61 HydrophobicContact CB-CB 3.89Å; F54-A61 HydrophobicContact CD1-CB 3.77Å; F54-A61 HydrophobicContact CG-CB 4.05Å; F54-L66 HydrophobicContact CD1-CD1 4.07Å; F54-L66 HydrophobicContact CE1-CD1 3.38Å; F54-L66 HydrophobicContact CE1-CG 4.12Å; F54-L66 HydrophobicContact CE2-CD1 4.29Å; F54-L66 HydrophobicContact CZ-CD1 3.48Å; F54-L66 VanDerWaalsContact CZ-CD1 3.48Å; F54-L74 HydrophobicContact CE2-CD1 3.98Å; F54-L74 HydrophobicContact CE2-CD2 3.97Å; F54-L74 HydrophobicContact CZ-CD1 3.75Å
55G80Confident77.5Confident30 Ų3074.2 Ų74.231%0.30942%0.421SS..  trans68.7-170.7-172.100000113.2Y37 N52 P53Y37-G55 WeakPolarHBondContact CE2-O 3.19Å; Y37-G55 PolarHBondContact OH-O 3.01Å; N52-G55 PolarHBondContact O-N 3.39Å; P53-G55 VanDerWaalsContact C-N 3.35Å
56P78.3Confident77.9Confident134 Ų13469.6 Ų69.687%0.8740%0.4SS*.SBendtrans-84.1-13.2-173.231.8-35.7000114.8Y37Y37-P56 WeakPolarHBondContact OH-CA 3.43Å; Y37-P56 PolarHBondContact OH-O 3.14Å
57D77.3Confident78.4Confident53 Ų5368.8 Ų68.828%0.28339%0.388SS..  trans-102.5107.9-173.8-174-3.4000111.6Y37 N59 K60 A61Y37-D57 PolarHBondContact OH-N 3Å; D57-N59 PolarHBondContact O-N 2.86Å; D57-N59 VanDerWaalsContact O-N 3.13Å; D57-N59 WeakPolarHBondContact OD1-CB 3.35Å; D57-N59 PolarHBondContact OD1-N 3.23Å; D57-N59 PolarHBondContact OD1-ND2 3.47Å; D57-K60 HydrophobicContact CB-CB 4.28Å; D57-K60 HydrophobicContact CB-CD 4.08Å; D57-K60 HydrophobicContact CB-CG 4.23Å; D57-K60 PolarHBondContact O-N 3.4Å; D57-K60 WeakPolarHBondContact OD2-CD 3.43Å; D57-K60 WeakPolarHBondContact OD2-CE 3.29Å; D57-K60 WeakPolarHBondContact OD2-CG 3.27Å; D57-K60 IonicContact OD2-NZ 3.96Å; D57-A61 PolarHBondContact O-N 3.42Å
58I77Confident78.7Confident68 Ų6870.9 Ų70.935%0.34940%0.399SS..THydrogen-bonded Turntrans-56.6-29.5178.1-167.9167.1000113R34 Y37 K60 A61R34-I58 HydrophobicContact CG-CD1 4.25Å; Y37-I58 HydrophobicContact CD1-CB 3.91Å; Y37-I58 HydrophobicContact CD1-CD1 3.77Å; Y37-I58 HydrophobicContact CD1-CG1 3.61Å; Y37-I58 HydrophobicContact CE1-CB 3.73Å; Y37-I58 HydrophobicContact CE1-CD1 4.3Å; Y37-I58 HydrophobicContact CE1-CG1 3.99Å; Y37-I58 HydrophobicContact CG-CB 4.45Å; Y37-I58 HydrophobicContact CG-CD1 4.42Å; Y37-I58 HydrophobicContact CG-CG1 3.95Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.01Å; I58-A61 PolarHBondContact O-N 3Å
59N76.6Confident79.1Confident144 Ų14475.1 Ų75.177%0.7740%0.396SS*.THydrogen-bonded Turntrans-76.3-17.8-178.2-56.5-59.4000112.3D57D57-N59 PolarHBondContact O-N 2.86Å; D57-N59 VanDerWaalsContact O-N 3.13Å; D57-N59 WeakPolarHBondContact OD1-CB 3.35Å; D57-N59 PolarHBondContact OD1-N 3.23Å; D57-N59 PolarHBondContact OD1-ND2 3.47Å
60K76.6Confident79.5Confident152 Ų15272.1 Ų72.166%0.66138%0.384SS*.THydrogen-bonded Turntrans-96.5-14.8176.6-66.8177.7-174.3168.50112.7D57 I58 N62D57-K60 HydrophobicContact CB-CB 4.28Å; D57-K60 HydrophobicContact CB-CD 4.08Å; D57-K60 HydrophobicContact CB-CG 4.23Å; D57-K60 PolarHBondContact O-N 3.4Å; D57-K60 WeakPolarHBondContact OD2-CD 3.43Å; D57-K60 WeakPolarHBondContact OD2-CE 3.29Å; D57-K60 WeakPolarHBondContact OD2-CG 3.27Å; D57-K60 IonicContact OD2-NZ 3.96Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.01Å; K60-N62 PolarHBondContact O-N 3.23Å
61A77.8Confident79.9Confident5 Ų573.4 Ų73.44%0.04138%0.377CS..  trans-64.7115.1179.800000111.7N33 Y37 F54 D57 I58N33-A61 PolarHBondContact ND2-O 2.95Å; Y37-A61 HydrophobicContact CD2-CB 3.32Å; Y37-A61 HydrophobicContact CE2-CB 3.79Å; Y37-A61 HydrophobicContact CG-CB 4.17Å; F54-A61 HydrophobicContact CB-CB 3.89Å; F54-A61 HydrophobicContact CD1-CB 3.77Å; F54-A61 HydrophobicContact CG-CB 4.05Å; D57-A61 PolarHBondContact O-N 3.42Å; I58-A61 PolarHBondContact O-N 3Å
62N82.4Confident80.1Confident53 Ų5372.5 Ų72.528%0.28337%0.369SS..  trans-144.7112.9176.5-175-35.5000110.6K60 H64 R65K60-N62 PolarHBondContact O-N 3.23Å; N62-H64 VanDerWaalsContact C-N 3.28Å; N62-H64 PolarHBondContact O-N 3.28Å; N62-H64 WeakPolarHBondContact OD1-CB 3.41Å; N62-H64 PolarHBondContact OD1-N 3.42Å; N62-R65 HydrophobicContact CB-CB 4.12Å; N62-R65 HydrophobicContact CB-CG 3.93Å; N62-R65 PolarHBondContact O-N 3.24Å; N62-R65 PolarHBondContact OD1-N 3.33Å
63Y81.9Confident80.1Confident7 Ų776.1 Ų76.13%0.02738%0.384CS..G310 helixtrans-52.8-43.8179.6175.8-106.3000112.9I10 L14 F36 R65 L66 R71 L74I10-Y63 HydrophobicContact CG2-CE1 3.83Å; I10-Y63 WeakPolarHBondContact CG2-OH 3.45Å; L14-Y63 HydrophobicContact CD1-CD1 3.84Å; L14-Y63 HydrophobicContact CD1-CD2 4.42Å; L14-Y63 HydrophobicContact CD1-CE1 3.61Å; L14-Y63 HydrophobicContact CD1-CE2 4.21Å; L14-Y63 HydrophobicContact CD1-CG 4.23Å; F36-Y63 AromaticContact CE1-CD2 3.66Å; F36-Y63 HydrophobicContact CE1-CD2 3.66Å; F36-Y63 HydrophobicContact CE1-CG 4.15Å; F36-Y63 AromaticContact CZ-CD2 3.93Å; F36-Y63 HydrophobicContact CZ-CD2 3.93Å; F36-Y63 HydrophobicContact CZ-CE2 4.39Å; Y63-R65 PolarHBondContact O-N 3.03Å; Y63-L66 WeakPolarHBondContact O-CB 3.35Å; Y63-L66 PolarHBondContact O-N 2.83Å; Y63-L66 VanDerWaalsContact O-N 3.16Å; Y63-R71 HydrophobicContact CD2-CG 4.01Å; Y63-R71 HydrophobicContact CE1-CB 4.46Å; Y63-R71 HydrophobicContact CE1-CG 4.16Å; Y63-R71 HydrophobicContact CE2-CB 3.71Å; Y63-R71 HydrophobicContact CE2-CG 3.62Å; Y63-R71 HydrophobicContact CG-CG 4.47Å; Y63-R71 VanDerWaalsContact O-CD 3.28Å; Y63-R71 WeakPolarHBondContact O-CD 3.44Å; Y63-R71 WeakPolarHBondContact O-CG 3.41Å; Y63-R71 PolarHBondContact OH-O 3.08Å; Y63-L74 HydrophobicContact CD2-CD1 4.06Å; Y63-L74 HydrophobicContact CE2-CB 4.3Å; Y63-L74 HydrophobicContact CE2-CD1 4.23Å
64H82.5Confident80.3Confident77 Ų7774 Ų7436%0.35637%0.371SS..G310 helixtrans-71.8-16.9-176.8-60.3-77.9000113.5N62 L66N62-H64 VanDerWaalsContact C-N 3.28Å; N62-H64 PolarHBondContact O-N 3.28Å; N62-H64 WeakPolarHBondContact OD1-CB 3.41Å; N62-H64 PolarHBondContact OD1-N 3.42Å; H64-L66 VanDerWaalsContact C-N 3.33Å
65R83.5Confident80.5Confident200 Ų20074.9 Ų74.976%0.75538%0.375SS*.G310 helixtrans-84.2-8.8174.7-68.6-174.1174.6167.6-3.5113.1N62 Y63N62-R65 HydrophobicContact CB-CB 4.12Å; N62-R65 HydrophobicContact CB-CG 3.93Å; N62-R65 PolarHBondContact O-N 3.24Å; N62-R65 PolarHBondContact OD1-N 3.33Å; Y63-R65 PolarHBondContact O-N 3.03Å
66L83Confident80.7Confident23 Ų2379.7 Ų79.712%0.1239%0.385CS..SBendtrans-80.6147.8178.2-62.6177.7000111.7P53 F54 Y63 H64 V70 R71 L74P53-L66 HydrophobicContact CB-CD1 4.41Å; P53-L66 HydrophobicContact CB-CD2 4.19Å; P53-L66 HydrophobicContact CG-CD1 4.48Å; F54-L66 HydrophobicContact CD1-CD1 4.07Å; F54-L66 HydrophobicContact CE1-CD1 3.38Å; F54-L66 HydrophobicContact CE1-CG 4.12Å; F54-L66 HydrophobicContact CE2-CD1 4.29Å; F54-L66 HydrophobicContact CZ-CD1 3.48Å; F54-L66 VanDerWaalsContact CZ-CD1 3.48Å; Y63-L66 WeakPolarHBondContact O-CB 3.35Å; Y63-L66 PolarHBondContact O-N 2.83Å; Y63-L66 VanDerWaalsContact O-N 3.16Å; H64-L66 VanDerWaalsContact C-N 3.33Å; L66-V70 HydrophobicContact CB-CB 4.25Å; L66-V70 HydrophobicContact CB-CG1 4.3Å; L66-V70 HydrophobicContact CD1-CG1 3.92Å; L66-R71 HydrophobicContact CB-CG 4.02Å; L66-R71 PolarHBondContact O-NE 3.38Å; L66-R71 VanDerWaalsContact O-NE 3.12Å; L66-L74 HydrophobicContact CD1-CD1 3.38Å
67P82.8Confident81Confident66 Ų6673.3 Ų73.343%0.42934%0.344SS..  trans-52.9149.2171.1-24.533.2000112.3Y69 V70 R71P67-Y69 VanDerWaalsContact C-N 3.29Å; P67-Y69 HydrophobicContact CB-CD1 3.58Å; P67-Y69 HydrophobicContact CB-CE1 3.37Å; P67-Y69 HydrophobicContact CG-CE1 3.92Å; P67-Y69 PolarHBondContact O-N 3.31Å; P67-V70 HydrophobicContact CB-CG2 4.1Å; P67-V70 HydrophobicContact CG-CG2 4.13Å; P67-V70 WeakPolarHBondContact O-CB 3.49Å; P67-V70 PolarHBondContact O-N 3.49Å; P67-R71 PolarHBondContact O-N 3.46Å
68L74.9Confident81.5Confident114 Ų11470.8 Ų70.860%0.59733%0.33SS*.Hα-helixtrans-55.3-43.3-176-178.964.7000112.4V70 R71 V72L68-V70 VanDerWaalsContact C-N 3.31Å; L68-V70 PolarHBondContact O-N 2.83Å; L68-R71 WeakPolarHBondContact O-CB 3.41Å; L68-R71 PolarHBondContact O-N 2.8Å; L68-R71 VanDerWaalsContact O-N 3.15Å; L68-V72 WeakPolarHBondContact O-CG2 3.44Å; L68-V72 PolarHBondContact O-N 3.33Å
69Y79.5Confident82Confident154 Ų15470 Ų7060%0.60433%0.33SS*.Hα-helixtrans-60.9-39.417978.8-93.8000112.2P67 R71 V72 K73P67-Y69 VanDerWaalsContact C-N 3.29Å; P67-Y69 HydrophobicContact CB-CD1 3.58Å; P67-Y69 HydrophobicContact CB-CE1 3.37Å; P67-Y69 HydrophobicContact CG-CE1 3.92Å; P67-Y69 PolarHBondContact O-N 3.31Å; Y69-R71 VanDerWaalsContact C-N 3.35Å; Y69-V72 PolarHBondContact O-N 3.01Å; Y69-K73 WeakPolarHBondContact O-CG 3.31Å; Y69-K73 PolarHBondContact O-N 3.49Å
70V80.5Confident82.2Confident12 Ų1267 Ų677%0.07331%0.312CS..Hα-helixtrans-66.4-41.2176.6-174.80000110.1P53 L66 P67 L68 V72 K73 L74P53-V70 HydrophobicContact CB-CG1 3.66Å; P53-V70 HydrophobicContact CG-CG1 3.8Å; L66-V70 HydrophobicContact CB-CB 4.25Å; L66-V70 HydrophobicContact CB-CG1 4.3Å; L66-V70 HydrophobicContact CD1-CG1 3.92Å; P67-V70 HydrophobicContact CB-CG2 4.1Å; P67-V70 HydrophobicContact CG-CG2 4.13Å; P67-V70 WeakPolarHBondContact O-CB 3.49Å; P67-V70 PolarHBondContact O-N 3.49Å; L68-V70 VanDerWaalsContact C-N 3.31Å; L68-V70 PolarHBondContact O-N 2.83Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 PolarHBondContact O-N 3.48Å; V70-K73 PolarHBondContact O-N 3.04Å; V70-L74 HydrophobicContact CG1-CD1 4.02Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CB 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.28Å
71R83.7Confident82.7Confident62 Ų6260.4 Ų60.423%0.23428%0.283CS..Hα-helixtrans-60.6-42.2175.7-72.6-170.3-80.3154.4-0.9112.1Y63 L66 P67 L68 Y69 L74 M75Y63-R71 HydrophobicContact CD2-CG 4.01Å; Y63-R71 HydrophobicContact CE1-CB 4.46Å; Y63-R71 HydrophobicContact CE1-CG 4.16Å; Y63-R71 HydrophobicContact CE2-CB 3.71Å; Y63-R71 HydrophobicContact CE2-CG 3.62Å; Y63-R71 HydrophobicContact CG-CG 4.47Å; Y63-R71 VanDerWaalsContact O-CD 3.28Å; Y63-R71 WeakPolarHBondContact O-CD 3.44Å; Y63-R71 WeakPolarHBondContact O-CG 3.41Å; Y63-R71 PolarHBondContact OH-O 3.08Å; L66-R71 HydrophobicContact CB-CG 4.02Å; L66-R71 PolarHBondContact O-NE 3.38Å; L66-R71 VanDerWaalsContact O-NE 3.12Å; P67-R71 PolarHBondContact O-N 3.46Å; L68-R71 WeakPolarHBondContact O-CB 3.41Å; L68-R71 PolarHBondContact O-N 2.8Å; L68-R71 VanDerWaalsContact O-N 3.15Å; Y69-R71 VanDerWaalsContact C-N 3.35Å; R71-L74 PolarHBondContact O-N 3.4Å; R71-M75 PolarHBondContact O-N 3.14Å
72V81.2Confident83.1Confident90 Ų9062.5 Ų62.555%0.54529%0.29SS..Hα-helixtrans-65.1-46.6175174.50000111L68 Y69 V70 L74 M75 Y76L68-V72 WeakPolarHBondContact O-CG2 3.44Å; L68-V72 PolarHBondContact O-N 3.33Å; Y69-V72 PolarHBondContact O-N 3.01Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 PolarHBondContact O-N 3.48Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 2.96Å; V72-M75 PolarHBondContact O-N 3.44Å; V72-M75 VanDerWaalsContact O-N 3.13Å; V72-Y76 PolarHBondContact O-N 2.96Å
73K81.2Confident83.2Confident95 Ų9565 Ų6541%0.41330%0.303SS..Hα-helixtrans-58.6-41.1175.1-75.9-173.1177.3-174.30112.2W44 Y69 V70 Y76 A77W44-K73 HydrophobicContact CH2-CB 4Å; Y69-K73 WeakPolarHBondContact O-CG 3.31Å; Y69-K73 PolarHBondContact O-N 3.49Å; V70-K73 PolarHBondContact O-N 3.04Å; K73-Y76 PolarHBondContact O-N 2.86Å; K73-A77 WeakPolarHBondContact O-CB 3.24Å; K73-A77 PolarHBondContact O-N 3.29Å
74L83.8Confident83.2Confident0 Ų069.6 Ų69.60%033%0.332CS..Hα-helixtrans-62.2-40.9174.6-78.9164.2000112.7F36 M40 W44 F54 Y63 L66 V70 R71 V72 A77 L78F36-L74 HydrophobicContact CE2-CD2 4.26Å; F36-L74 HydrophobicContact CZ-CB 4.09Å; F36-L74 HydrophobicContact CZ-CD1 4.08Å; F36-L74 HydrophobicContact CZ-CD2 3.89Å; F36-L74 HydrophobicContact CZ-CG 4.27Å; M40-L74 HydrophobicContact CE-CD2 4Å; M40-L74 HydrophobicContact CG-CD2 3.68Å; M40-L74 HydrophobicContact SD-CD2 3.57Å; M40-L74 VanDerWaalsContact SD-CD2 3.57Å; W44-L74 HydrophobicContact CE3-CD2 3.62Å; W44-L74 HydrophobicContact CE3-CG 4.45Å; W44-L74 HydrophobicContact CH2-CD2 3.95Å; W44-L74 HydrophobicContact CH2-CG 3.88Å; W44-L74 HydrophobicContact CZ3-CB 4.35Å; W44-L74 HydrophobicContact CZ3-CD2 3.26Å; W44-L74 HydrophobicContact CZ3-CG 3.63Å; F54-L74 HydrophobicContact CE2-CD1 3.98Å; F54-L74 HydrophobicContact CE2-CD2 3.97Å; F54-L74 HydrophobicContact CZ-CD1 3.75Å; Y63-L74 HydrophobicContact CD2-CD1 4.06Å; Y63-L74 HydrophobicContact CE2-CB 4.3Å; Y63-L74 HydrophobicContact CE2-CD1 4.23Å; L66-L74 HydrophobicContact CD1-CD1 3.38Å; V70-L74 HydrophobicContact CG1-CD1 4.02Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CB 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.28Å; R71-L74 PolarHBondContact O-N 3.4Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 2.96Å; L74-A77 PolarHBondContact O-N 3.39Å; L74-L78 WeakPolarHBondContact O-CG 3.02Å; L74-L78 PolarHBondContact O-N 3.16Å
75M85.8Confident83.3Confident33 Ų3370.8 Ų70.816%0.16333%0.334CS..Hα-helixtrans-66.7-43.2176.5-16967.277.600111.7I10 T13 L14 L17 R71 V72 L78 C79I10-M75 HydrophobicContact CG2-CE 3.67Å; T13-M75 HydrophobicContact CG2-CE 4.45Å; T13-M75 HydrophobicContact CG2-SD 4.03Å; L14-M75 HydrophobicContact CD1-CE 4.4Å; L14-M75 HydrophobicContact CD2-CE 3.63Å; L14-M75 HydrophobicContact CD2-SD 3.81Å; L14-M75 HydrophobicContact CG-CE 3.57Å; L14-M75 HydrophobicContact CG-SD 4.26Å; L17-M75 HydrophobicContact CD1-SD 3.6Å; R71-M75 PolarHBondContact O-N 3.14Å; V72-M75 PolarHBondContact O-N 3.44Å; V72-M75 VanDerWaalsContact O-N 3.13Å; M75-L78 PolarHBondContact O-N 2.86Å; M75-C79 PolarHBondContact O-N 3.37Å; M75-C79 PolarHBondContact O-SG 3.48Å
76Y83.8Confident83.3Confident131 Ų13168.3 Ų68.351%0.51434%0.335SS..Hα-helixtrans-57.8-48.7173.5174.3-96.4000111.3F49 V72 K73 L78 C79 E80F49-Y76 HydrophobicContact CZ-CD1 4.36Å; F49-Y76 HydrophobicContact CZ-CE1 4.39Å; V72-Y76 PolarHBondContact O-N 2.96Å; K73-Y76 PolarHBondContact O-N 2.86Å; Y76-L78 VanDerWaalsContact C-N 3.29Å; Y76-L78 PolarHBondContact O-N 3.09Å; Y76-C79 WeakPolarHBondContact O-CA 3.21Å; Y76-C79 WeakPolarHBondContact O-CB 3.46Å; Y76-C79 PolarHBondContact O-N 2.81Å; Y76-E80 HydrophobicContact CD1-CG 4.22Å; Y76-E80 HydrophobicContact CE1-CG 3.69Å; Y76-E80 HydrophobicContact CE2-CG 4.22Å; Y76-E80 PolarHBondContact O-N 2.84Å
77A84.6Confident83.4Confident0 Ų069.8 Ų69.80%034%0.343CS..Hα-helixtrans-59.4-38.3177.800000112.5M40 W44 L47 F49 K73 L74 L81M40-A77 HydrophobicContact CE-CB 4.45Å; W44-A77 HydrophobicContact CZ3-CB 4.27Å; L47-A77 HydrophobicContact CD1-CB 4.22Å; F49-A77 HydrophobicContact CE2-CB 3.88Å; K73-A77 WeakPolarHBondContact O-CB 3.24Å; K73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.39Å; A77-L81 WeakPolarHBondContact O-CB 3.46Å; A77-L81 VanDerWaalsContact O-CG 3.24Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.45Å
78L87.5Confident83.4Confident0 Ų067.6 Ų67.60%033%0.328CS..Hα-helixtrans-66.3-36.8173.4-72.8171.4000112.7L14 L17 L18 I21 F36 L39 M40 L74 M75 Y76 R82L14-L78 HydrophobicContact CD2-CD1 3.21Å; L17-L78 HydrophobicContact CB-CB 4.21Å; L17-L78 HydrophobicContact CD1-CB 3.78Å; L17-L78 HydrophobicContact CD1-CD1 4.45Å; L18-L78 HydrophobicContact CD2-CD2 4.06Å; I21-L78 HydrophobicContact CD1-CB 4.26Å; I21-L78 HydrophobicContact CD1-CD2 3.58Å; I21-L78 WeakPolarHBondContact CD1-O 3.41Å; F36-L78 HydrophobicContact CD2-CD1 4.24Å; F36-L78 HydrophobicContact CD2-CD2 4.35Å; F36-L78 HydrophobicContact CE2-CD1 3.69Å; F36-L78 HydrophobicContact CE2-CD2 4.26Å; F36-L78 HydrophobicContact CE2-CG 4.16Å; L39-L78 HydrophobicContact CD2-CD2 3.51Å; M40-L78 HydrophobicContact CE-CD1 4.43Å; M40-L78 HydrophobicContact CE-CD2 3.5Å; M40-L78 HydrophobicContact CE-CG 3.57Å; L74-L78 WeakPolarHBondContact O-CG 3.02Å; L74-L78 PolarHBondContact O-N 3.16Å; M75-L78 PolarHBondContact O-N 2.86Å; Y76-L78 VanDerWaalsContact C-N 3.29Å; Y76-L78 PolarHBondContact O-N 3.09Å; L78-R82 WeakPolarHBondContact O-CB 3.48Å; L78-R82 PolarHBondContact O-N 3.49Å
79C87.9Confident83.3Confident52 Ų5268 Ų6835%0.35133%0.327SS..Hα-helixtrans-65.7-45.6175.7-64.10000111.1M75 Y76 L81 R82 L83M75-C79 PolarHBondContact O-N 3.37Å; M75-C79 PolarHBondContact O-SG 3.48Å; Y76-C79 WeakPolarHBondContact O-CA 3.21Å; Y76-C79 WeakPolarHBondContact O-CB 3.46Å; Y76-C79 PolarHBondContact O-N 2.81Å; C79-L81 PolarHBondContact O-N 2.96Å; C79-R82 WeakPolarHBondContact O-CB 3.34Å; C79-R82 PolarHBondContact O-N 2.96Å; C79-R82 VanDerWaalsContact O-N 3.08Å; C79-L83 WeakPolarHBondContact O-CG 3.25Å; C79-L83 PolarHBondContact O-N 2.98Å
80E82.2Confident83.3Confident82 Ų8266.6 Ų66.638%0.38333%0.326SS..Hα-helixtrans-59.1-47.6174.8-71.3-66.3102.100111.3Y76 R82 L83 T84Y76-E80 HydrophobicContact CD1-CG 4.22Å; Y76-E80 HydrophobicContact CE1-CG 3.69Å; Y76-E80 HydrophobicContact CE2-CG 4.22Å; Y76-E80 PolarHBondContact O-N 2.84Å; E80-R82 PolarHBondContact O-N 2.77Å; E80-L83 PolarHBondContact O-N 3.26Å; E80-L83 VanDerWaalsContact O-N 3.14Å; E80-T84 PolarHBondContact O-N 3.1Å
81L85.3Confident83Confident12 Ų1269.1 Ų69.16%0.06334%0.344CS..Hα-helixtrans-63.5-27.8175.5-72.4173000113I21 L39 Y43 L47 A77 C79 T84I21-L81 HydrophobicContact CD1-CB 3.92Å; I21-L81 HydrophobicContact CG1-CB 4.24Å; L39-L81 HydrophobicContact CD2-CD1 4.05Å; L39-L81 HydrophobicContact CG-CD1 4.23Å; Y43-L81 HydrophobicContact CD1-CD2 3.76Å; Y43-L81 HydrophobicContact CE1-CD2 4.23Å; Y43-L81 HydrophobicContact CG-CD1 4.35Å; Y43-L81 HydrophobicContact CG-CD2 4.16Å; L47-L81 HydrophobicContact CD1-CD1 4.34Å; L47-L81 HydrophobicContact CD1-CD2 4.4Å; L47-L81 HydrophobicContact CD1-CG 4.29Å; A77-L81 WeakPolarHBondContact O-CB 3.46Å; A77-L81 VanDerWaalsContact O-CG 3.24Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.45Å; C79-L81 PolarHBondContact O-N 2.96Å; L81-T84 PolarHBondContact O-OG1 3.03Å
82R88.2Confident82.3Confident49 Ų4970.9 Ų70.919%0.18536%0.358CS..Hα-helixtrans-70.9-39.8174.8174.865.2-168.9110.1-11.4111L17 I21 L78 C79 E80 T84 R85 D87 V88L17-R82 HydrophobicContact CD2-CB 3.81Å; L17-R82 HydrophobicContact CD2-CG 3.98Å; I21-R82 HydrophobicContact CG1-CB 4.2Å; L78-R82 WeakPolarHBondContact O-CB 3.48Å; L78-R82 PolarHBondContact O-N 3.49Å; C79-R82 WeakPolarHBondContact O-CB 3.34Å; C79-R82 PolarHBondContact O-N 2.96Å; C79-R82 VanDerWaalsContact O-N 3.08Å; E80-R82 PolarHBondContact O-N 2.77Å; R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 2.87Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.07Å; R82-D87 IonicContact CZ-OD1 2.6Å; R82-D87 IonicContact CZ-OD2 3.64Å; R82-D87 IonicContact NH1-OD1 2.59Å; R82-D87 PolarHBondContact NH1-OD1 3.36Å; R82-D87 IonicContact NH1-OD2 3.5Å; R82-D87 PolarHBondContact NH1-OD2 2.64Å; R82-D87 IonicContact NH2-OD1 3.39Å; R82-D87 IonicContact NH2-OD2 3.68Å; R82-D87 PolarHBondContact NH2-OD2 3.48Å; R82-V88 WeakPolarHBondContact O-CG2 3.45Å
83L82.9Confident81.6Confident106 Ų10673.6 Ų73.656%0.55536%0.358SS*.Hα-helixtrans-68.8-23.3-179.5-69.7175.1000113.4C79 E80 R85 V88C79-L83 WeakPolarHBondContact O-CG 3.25Å; C79-L83 PolarHBondContact O-N 2.98Å; E80-L83 PolarHBondContact O-N 3.26Å; E80-L83 VanDerWaalsContact O-N 3.14Å; L83-R85 VanDerWaalsContact C-N 3.27Å; L83-R85 PolarHBondContact O-N 3.43Å; L83-V88 HydrophobicContact CD2-CG1 4.22Å
84T82.6Confident80.7Confident103 Ų10377.7 Ų77.763%0.63238%0.379SS*.THydrogen-bonded Turntrans-78.8-5.8176.461.20000114.1E80 L81 R82E80-T84 PolarHBondContact O-N 3.1Å; L81-T84 PolarHBondContact O-OG1 3.03Å; R82-T84 VanDerWaalsContact C-N 3.29Å; R82-T84 PolarHBondContact O-N 2.87Å
85R85.3Confident79.5Confident103 Ų10384.3 Ų84.339%0.38941%0.408SS..SBendtrans-82.1139-179.6-64.7-80.4-63150.19.4111.3G20 I21 R82 L83 D87 V88G20-R85 PolarHBondContact O-NE 3.28Å; I21-R85 WeakPolarHBondContact O-CD 3.39Å; I21-R85 PolarHBondContact O-NE 3.03Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.07Å; L83-R85 VanDerWaalsContact C-N 3.27Å; L83-R85 PolarHBondContact O-N 3.43Å; R85-D87 WeakPolarHBondContact CB-OD1 3.49Å; R85-D87 PolarHBondContact O-N 3.31Å; R85-D87 VanDerWaalsContact O-N 3.15Å; R85-V88 HydrophobicContact CB-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.43Å; R85-V88 VanDerWaalsContact O-CG2 3.25Å; R85-V88 WeakPolarHBondContact O-CG2 3.1Å; R85-V88 PolarHBondContact O-N 3.24Å
86N82.2Confident78Confident147 Ų14785.8 Ų85.879%0.78642%0.422SS*.THydrogen-bonded Turntrans-63.9-21.2-176.4-58.8-13.6000114.6V88N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.87Å
87D85.8Confident76.5Confident54 Ų5481.8 Ų81.829%0.28942%0.42SS..Hα-helixtrans-77.8-13.8-179.469.1-43.6000113.4R82 R85 E89 H90 S91R82-D87 IonicContact CZ-OD1 2.6Å; R82-D87 IonicContact CZ-OD2 3.64Å; R82-D87 IonicContact NH1-OD1 2.59Å; R82-D87 PolarHBondContact NH1-OD1 3.36Å; R82-D87 IonicContact NH1-OD2 3.5Å; R82-D87 PolarHBondContact NH1-OD2 2.64Å; R82-D87 IonicContact NH2-OD1 3.39Å; R82-D87 IonicContact NH2-OD2 3.68Å; R82-D87 PolarHBondContact NH2-OD2 3.48Å; R85-D87 WeakPolarHBondContact CB-OD1 3.49Å; R85-D87 PolarHBondContact O-N 3.31Å; R85-D87 VanDerWaalsContact O-N 3.15Å; D87-E89 VanDerWaalsContact C-N 3.32Å; D87-E89 PolarHBondContact O-N 2.85Å; D87-H90 PolarHBondContact O-N 2.72Å; D87-S91 WeakPolarHBondContact O-CB 3.35Å; D87-S91 PolarHBondContact O-N 3.2Å; D87-S91 PolarHBondContact O-OG 3.16Å
88V82.3Confident74.8Confident20 Ų2086.3 Ų86.312%0.12144%0.444CS..Hα-helixtrans-60.8-43.1179.6176.50000111R82 L83 R85 N86 H90 S91 L92R82-V88 WeakPolarHBondContact O-CG2 3.45Å; L83-V88 HydrophobicContact CD2-CG1 4.22Å; R85-V88 HydrophobicContact CB-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.43Å; R85-V88 VanDerWaalsContact O-CG2 3.25Å; R85-V88 WeakPolarHBondContact O-CG2 3.1Å; R85-V88 PolarHBondContact O-N 3.24Å; N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.87Å; V88-H90 VanDerWaalsContact C-N 3.33Å; V88-H90 PolarHBondContact O-N 2.92Å; V88-S91 PolarHBondContact O-N 3.45Å; V88-S91 VanDerWaalsContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD1 3.57Å; V88-L92 HydrophobicContact CG1-CG 4.1Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3Å
89E73Confident73.2Confident123 Ų12390.1 Ų90.158%0.57547%0.471SS*.Hα-helixtrans-58.1-47.4-178.8-168.2-167.6140.500110.9D87 L92 R93D87-E89 VanDerWaalsContact C-N 3.32Å; D87-E89 PolarHBondContact O-N 2.85Å; E89-L92 PolarHBondContact O-N 3.24Å; E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 2.9Å; E89-R93 IonicContact OE1-CZ 2.74Å; E89-R93 IonicContact OE1-NE 3.75Å; E89-R93 IonicContact OE1-NH2 3.33Å; E89-R93 PolarHBondContact OE1-NH2 2.84Å
90H79.2Confident71.6Confident124 Ų12493.6 Ų93.657%0.57448%0.483SS*.Hα-helixtrans-66.9-39.9176.8-69.8-74.2000112.5D87 V88 L92 R93D87-H90 PolarHBondContact O-N 2.72Å; V88-H90 VanDerWaalsContact C-N 3.33Å; V88-H90 PolarHBondContact O-N 2.92Å; H90-L92 VanDerWaalsContact C-N 3.25Å; H90-L92 PolarHBondContact O-N 3.5Å; H90-R93 PolarHBondContact O-N 3.1Å
91S74.2Confident70.4Confident65 Ų6593.9 Ų93.946%0.45548%0.481SS..Hα-helixtrans-66.6-26.3-179.3-56.40000113.1D87 V88D87-S91 WeakPolarHBondContact O-CB 3.35Å; D87-S91 PolarHBondContact O-N 3.2Å; D87-S91 PolarHBondContact O-OG 3.16Å; V88-S91 PolarHBondContact O-N 3.45Å; V88-S91 VanDerWaalsContact O-N 3.17Å
92L69.2Low69.3Low100 Ų10095.7 Ų95.752%0.52449%0.492SS..Hα-helixtrans-93.6-9.6-179-67.8178.8000114V88 E89 H90 E94 F95V88-L92 HydrophobicContact CG1-CD1 3.57Å; V88-L92 HydrophobicContact CG1-CG 4.1Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3Å; E89-L92 PolarHBondContact O-N 3.24Å; H90-L92 VanDerWaalsContact C-N 3.25Å; H90-L92 PolarHBondContact O-N 3.5Å; L92-E94 PolarHBondContact O-N 3.05Å; L92-F95 HydrophobicContact CD2-CD2 4.09Å; L92-F95 HydrophobicContact CD2-CE2 4.21Å; L92-F95 PolarHBondContact O-N 3.45Å
93R67Low68.5Low146 Ų14697.7 Ų97.755%0.55151%0.506SS*.THydrogen-bonded Turntrans-60.6-27.3-176.8-86175.3-170.5-150.91.7114.3E89 H90E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 2.9Å; E89-R93 IonicContact OE1-CZ 2.74Å; E89-R93 IonicContact OE1-NE 3.75Å; E89-R93 IonicContact OE1-NH2 3.33Å; E89-R93 PolarHBondContact OE1-NH2 2.84Å; H90-R93 PolarHBondContact O-N 3.1Å
94E62.4Low68.5Low182 Ų18298.6 Ų98.685%0.8550%0.502SS*.THydrogen-bonded Turntrans-86.5-9.6-176.5-63.9-176.2171.400113.9L92 S96L92-E94 PolarHBondContact O-N 3.05Å; E94-S96 PolarHBondContact O-N 2.98Å
95F58.1Low68.7Low139 Ų13994.6 Ų94.661%0.6148%0.477SS*.  trans-80110.7179-71-91.5000110.3L92L92-F95 HydrophobicContact CD2-CD2 4.09Å; L92-F95 HydrophobicContact CD2-CE2 4.21Å; L92-F95 PolarHBondContact O-N 3.45Å
96S53.4Low68.7Low64 Ų6490.7 Ų90.745%0.44847%0.468SS..  trans-62.4147.7174.8750000111.5E94 D98 S99E94-S96 PolarHBondContact O-N 2.98Å; S96-D98 PolarHBondContact O-N 2.87Å; S96-D98 VanDerWaalsContact O-N 3.08Å; S96-S99 PolarHBondContact N-OG 3.15Å; S96-S99 WeakPolarHBondContact O-CB 3.36Å; S96-S99 PolarHBondContact O-N 3.35Å; S96-S99 PolarHBondContact O-OG 3.5Å; S96-S99 PolarHBondContact OG-OG 3.47Å
97G53.9Low69.1Low47 Ų4786 Ų8649%0.48544%0.442SS..G310 helixtrans-58.6-21.2174.200000113.5S99 M100G97-S99 VanDerWaalsContact C-N 3.31Å; G97-S99 PolarHBondContact O-N 3.03Å; G97-M100 WeakPolarHBondContact O-CB 3.38Å; G97-M100 PolarHBondContact O-N 2.97Å; G97-M100 VanDerWaalsContact O-N 3.09Å
98D48.8Very low69.2Low95 Ų9584.2 Ų84.251%0.50843%0.432SS..G310 helixtrans-65.6-34.3174.6-70.1-14.3000112.3S96 M100 R101S96-D98 PolarHBondContact O-N 2.87Å; S96-D98 VanDerWaalsContact O-N 3.08Å; D98-M100 PolarHBondContact O-N 2.84Å; D98-R101 WeakPolarHBondContact O-CB 3.21Å; D98-R101 WeakPolarHBondContact O-CD 3.29Å; D98-R101 VanDerWaalsContact O-CG 3.23Å; D98-R101 WeakPolarHBondContact O-CG 3.46Å; D98-R101 PolarHBondContact O-N 2.99Å; D98-R101 IonicContact OD1-CZ 3.84Å; D98-R101 VanDerWaalsContact OD1-CZ 3.31Å; D98-R101 IonicContact OD1-NE 2.74Å; D98-R101 PolarHBondContact OD1-NE 3.24Å; D98-R101 IonicContact OD1-NH2 3.58Å; D98-R101 PolarHBondContact OD1-NH2 2.67Å; D98-R101 IonicContact OD2-NH2 3.6Å; D98-R101 PolarHBondContact OD2-NH2 2.9Å
99S53.8Low69.4Low79 Ų7991.9 Ų91.955%0.55246%0.459SS*.G310 helixtrans-71.3-10172.612.50000113.9S96 G97S96-S99 PolarHBondContact N-OG 3.15Å; S96-S99 WeakPolarHBondContact O-CB 3.36Å; S96-S99 PolarHBondContact O-N 3.35Å; S96-S99 PolarHBondContact O-OG 3.5Å; S96-S99 PolarHBondContact OG-OG 3.47Å; G97-S99 VanDerWaalsContact C-N 3.31Å; G97-S99 PolarHBondContact O-N 3.03Å
100M54.4Low69.9Low125 Ų12591.1 Ų91.162%0.61646%0.459SS*.G310 helixtrans-93.1-3.2175-68.1178.544.300113.6G97 D98 V102 F117G97-M100 WeakPolarHBondContact O-CB 3.38Å; G97-M100 PolarHBondContact O-N 2.97Å; G97-M100 VanDerWaalsContact O-N 3.09Å; D98-M100 PolarHBondContact O-N 2.84Å; M100-V102 WeakPolarHBondContact O-CG2 3.39Å; M100-V102 PolarHBondContact O-N 3.49Å; M100-V102 VanDerWaalsContact O-N 3.14Å; M100-F117 HydrophobicContact CB-CD1 4.23Å; M100-F117 HydrophobicContact CB-CE1 4.09Å; M100-F117 WeakPolarHBondContact O-CD1 3.35Å; M100-F117 WeakPolarHBondContact O-CE1 3.48Å
101R55.9Low70.1Confident89 Ų8986.6 Ų86.634%0.33645%0.445SS..  trans-61.8114.8-179.2-68.2172.9-172.2-171.25.9109.7D98 W115 F117D98-R101 WeakPolarHBondContact O-CB 3.21Å; D98-R101 WeakPolarHBondContact O-CD 3.29Å; D98-R101 VanDerWaalsContact O-CG 3.23Å; D98-R101 WeakPolarHBondContact O-CG 3.46Å; D98-R101 PolarHBondContact O-N 2.99Å; D98-R101 IonicContact OD1-CZ 3.84Å; D98-R101 VanDerWaalsContact OD1-CZ 3.31Å; D98-R101 IonicContact OD1-NE 2.74Å; D98-R101 PolarHBondContact OD1-NE 3.24Å; D98-R101 IonicContact OD1-NH2 3.58Å; D98-R101 PolarHBondContact OD1-NH2 2.67Å; D98-R101 IonicContact OD2-NH2 3.6Å; D98-R101 PolarHBondContact OD2-NH2 2.9Å; R101-W115 HydrophobicContact CB-CE3 4.32Å; R101-W115 HydrophobicContact CB-CZ3 4.18Å; R101-W115 HydrophobicContact CG-CE3 4.47Å; R101-W115 HydrophobicContact CG-CZ3 4.44Å; R101-F117 HydrophobicContact CB-CE1 4.41Å; R101-F117 HydrophobicContact CB-CZ 4.34Å; R101-F117 HydrophobicContact CG-CE1 4.12Å; R101-F117 HydrophobicContact CG-CZ 3.79Å
102V63.1Low70.8Confident49 Ų4984.1 Ų84.130%0.29743%0.428SS..  trans-88.9-67.5-176-165.60000110M100 Y116 Y118M100-V102 WeakPolarHBondContact O-CG2 3.39Å; M100-V102 PolarHBondContact O-N 3.49Å; M100-V102 VanDerWaalsContact O-N 3.14Å; V102-Y116 WeakPolarHBondContact CB-O 3.3Å; V102-Y118 HydrophobicContact CB-CD2 4.48Å; V102-Y118 HydrophobicContact CB-CE2 4.23Å; V102-Y118 HydrophobicContact CG1-CD2 4.15Å; V102-Y118 HydrophobicContact CG1-CE2 3.51Å; V102-Y118 HydrophobicContact CG2-CD2 3.54Å; V102-Y118 HydrophobicContact CG2-CE2 3.58Å
103I70.7Confident71.7Confident92 Ų9279.7 Ų79.747%0.47240%0.404SS..EExtended strand (participates in β ladder)trans-141.2125.8-175.6-64.9161.9000110.3L105 Y116I103-L105 HydrophobicContact CG2-CD2 4Å; I103-L105 PolarHBondContact O-N 3.36Å; I103-Y116 PolarHBondContact N-O 3.24Å; I103-Y116 PolarHBondContact O-N 3.47Å; I103-Y116 VanDerWaalsContact O-N 3.07Å
104R83.9Confident72.7Confident125 Ų12573.1 Ų73.147%0.47238%0.38SS..EExtended strand (participates in β ladder)trans-73118166.3-168.3-179.6-170.81808109E107 T113 W115R104-E107 IonicContact CZ-OE1 3.91Å; R104-E107 IonicContact NH1-OE1 2.67Å; R104-E107 IonicContact NH2-OE1 3.04Å; R104-E107 PolarHBondContact NH2-OE1 2.89Å; R104-T113 HydrophobicContact CG-CG2 3.77Å; R104-T113 PolarHBondContact NH2-OG1 3.49Å; R104-W115 HydrophobicContact CB-CD2 4.38Å; R104-W115 HydrophobicContact CB-CE3 3.85Å; R104-W115 HydrophobicContact CB-CH2 3.9Å; R104-W115 HydrophobicContact CB-CZ2 4.43Å; R104-W115 HydrophobicContact CB-CZ3 3.59Å; R104-W115 HydrophobicContact CG-CD2 4.38Å; R104-W115 HydrophobicContact CG-CE3 4.32Å; R104-W115 HydrophobicContact CG-CH2 4.05Å; R104-W115 HydrophobicContact CG-CZ2 4.11Å; R104-W115 HydrophobicContact CG-CZ3 4.16Å
105L85.2Confident73.8Confident19 Ų1965.9 Ų65.910%0.09935%0.345CS..EExtended strand (participates in β ladder)trans-88.2-38.6-176.3-65.3-178.2000113I103 Y114 L122 L361 L364 L365 F369I103-L105 HydrophobicContact CG2-CD2 4Å; I103-L105 PolarHBondContact O-N 3.36Å; L105-Y114 PolarHBondContact N-O 3.38Å; L105-L122 HydrophobicContact CD1-CD1 3.53Å; L105-L361 HydrophobicContact CB-CD1 4.18Å; L105-L364 HydrophobicContact CB-CD2 4.18Å; L105-L364 HydrophobicContact CD2-CD2 3.83Å; L105-L365 HydrophobicContact CD1-CD2 4.06Å; L105-F369 HydrophobicContact CD1-CE1 4.33Å; L105-F369 HydrophobicContact CD1-CE2 4.49Å; L105-F369 HydrophobicContact CD1-CZ 4.22Å; L105-F369 HydrophobicContact CD2-CE1 4.18Å; L105-F369 HydrophobicContact CD2-CE2 3.68Å; L105-F369 HydrophobicContact CD2-CZ 3.37Å; L105-F369 HydrophobicContact CG-CZ 4.46Å
106G87.2Confident74.8Confident21 Ų2160.8 Ų60.822%0.21632%0.322CS..EExtended strand (participates in β ladder)trans165.4-172.7179.600000113.6T113 Y114G106-T113 WeakPolarHBondContact O-CA 3.31Å; G106-Y114 PolarHBondContact O-N 2.64Å
107E89.3Confident75.5Confident48 Ų4859.4 Ų59.422%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-128.6145.3177.8-68171.9179.400110.2R104 V112 T113 K357R104-E107 IonicContact CZ-OE1 3.91Å; R104-E107 IonicContact NH1-OE1 2.67Å; R104-E107 IonicContact NH2-OE1 3.04Å; R104-E107 PolarHBondContact NH2-OE1 2.89Å; E107-V112 WeakPolarHBondContact CA-O 3.48Å; E107-T113 HydrophobicContact CG-CG2 4.46Å; E107-K357 HydrophobicContact CB-CD 4.4Å; E107-K357 IonicContact OE2-NZ 2.81Å; E107-K357 PolarHBondContact OE2-NZ 3.42Å
108D88.2Confident76.1Confident16 Ų1666.5 Ų66.59%0.08632%0.321CS..  trans-84.5-17817073.66.1000112.9N110 G111 V112 Y114 E358D108-N110 PolarHBondContact O-N 2.92Å; D108-N110 VanDerWaalsContact OD1-CA 3.32Å; D108-N110 WeakPolarHBondContact OD1-CA 3.33Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 3.41Å; D108-G111 PolarHBondContact O-N 3.03Å; D108-G111 PolarHBondContact OD1-N 3.29Å; D108-V112 PolarHBondContact N-O 3.38Å; D108-V112 WeakPolarHBondContact OD1-CB 3.26Å; D108-V112 PolarHBondContact OD1-N 2.9Å; D108-Y114 HydrophobicContact CB-CE2 3.96Å; D108-Y114 PolarHBondContact OD2-OH 2.92Å; D108-E358 HydrophobicContact CB-CG 4.31Å
109R85.8Confident77.3Confident181 Ų18163.1 Ų63.168%0.68331%0.309SS*.THydrogen-bonded Turntrans-65.5-20.2175.771.7-169.1174.3-172.6-7.3114.3G111 V355 E358R109-G111 VanDerWaalsContact C-N 3.35Å; R109-V355 HydrophobicContact CB-CG2 4.03Å; R109-E358 VanDerWaalsContact CB-OE1 3.25Å; R109-E358 WeakPolarHBondContact CB-OE1 3.5Å; R109-E358 WeakPolarHBondContact CD-OE1 3.4Å; R109-E358 WeakPolarHBondContact CG-OE1 3.36Å; R109-E358 PolarHBondContact N-OE1 3.41Å
110N84Confident78.5Confident108 Ų10859.9 Ų59.958%0.57829%0.286SS*.THydrogen-bonded Turntrans-88.6-7.1179.9-59.9-28.2000111.9D108 V112D108-N110 PolarHBondContact O-N 2.92Å; D108-N110 VanDerWaalsContact OD1-CA 3.32Å; D108-N110 WeakPolarHBondContact OD1-CA 3.33Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 3.41Å; N110-V112 HydrophobicContact CB-CG2 4.28Å
111G84.1Confident79.9Confident28 Ų2859.3 Ų59.329%0.28928%0.277SS..  trans86.310.9-175.900000113.7D108 R109 T113D108-G111 PolarHBondContact O-N 3.03Å; D108-G111 PolarHBondContact OD1-N 3.29Å; R109-G111 VanDerWaalsContact C-N 3.35Å; G111-T113 PolarHBondContact O-N 3.46Å
112V88.1Confident81.4Confident14 Ų1455.1 Ų55.19%0.08526%0.261CS..PPolyproline II helixtrans-72.6125.8174.3179.10000108.6E107 D108 N110 Y114 A124 E125E107-V112 WeakPolarHBondContact CA-O 3.48Å; D108-V112 PolarHBondContact N-O 3.38Å; D108-V112 WeakPolarHBondContact OD1-CB 3.26Å; D108-V112 PolarHBondContact OD1-N 2.9Å; N110-V112 HydrophobicContact CB-CG2 4.28Å; V112-Y114 HydrophobicContact CG1-CE1 4.24Å; V112-A124 HydrophobicContact CG1-CB 3.62Å; V112-E125 CarbonylContact C-O 3.56Å; V112-E125 VanDerWaalsContact CA-O 3.29Å; V112-E125 WeakPolarHBondContact CA-O 3.35Å
113T88Confident82.6Confident6 Ų655.7 Ų55.74%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-94.1130.6178.3-600000110.8R104 G106 E107 G111 W115 A124 E125R104-T113 HydrophobicContact CG-CG2 3.77Å; R104-T113 PolarHBondContact NH2-OG1 3.49Å; G106-T113 WeakPolarHBondContact O-CA 3.31Å; E107-T113 HydrophobicContact CG-CG2 4.46Å; G111-T113 PolarHBondContact O-N 3.46Å; T113-W115 HydrophobicContact CG2-CD2 4.49Å; T113-W115 HydrophobicContact CG2-CZ2 4.1Å; T113-W115 VanDerWaalsContact CG2-NE1 3.27Å; T113-A124 CarbonylContact O-C 3.55Å; T113-A124 WeakPolarHBondContact O-CA 3.49Å; T113-E125 PolarHBondContact N-O 2.82Å; T113-E125 PolarHBondContact O-N 3.38Å
114Y89.2Confident83.4Confident8 Ų851.3 Ų51.33%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-98.6135.1176.2-59.4-76.3000112.5L105 G106 D108 V112 L122 Y123 A124 R336 L346 L361L105-Y114 PolarHBondContact N-O 3.38Å; G106-Y114 PolarHBondContact O-N 2.64Å; D108-Y114 HydrophobicContact CB-CE2 3.96Å; D108-Y114 PolarHBondContact OD2-OH 2.92Å; V112-Y114 HydrophobicContact CG1-CE1 4.24Å; Y114-L122 HydrophobicContact CD1-CD2 4.01Å; Y114-L122 HydrophobicContact CD1-CG 4.35Å; Y114-L122 HydrophobicContact CG-CD2 4.48Å; Y114-Y123 CarbonylContact C-O 3.57Å; Y114-Y123 VanDerWaalsContact CA-O 3.31Å; Y114-Y123 WeakPolarHBondContact CA-O 3.29Å; Y114-A124 HydrophobicContact CD1-CB 3.96Å; Y114-A124 HydrophobicContact CE1-CB 3.87Å; Y114-R336 HydrophobicContact CD1-CB 4.48Å; Y114-R336 HydrophobicContact CD1-CG 4.41Å; Y114-R336 HydrophobicContact CE1-CB 4.29Å; Y114-R336 HydrophobicContact CE1-CG 3.82Å; Y114-L346 HydrophobicContact CE1-CD1 4.39Å; Y114-L346 HydrophobicContact CE1-CD2 4.39Å; Y114-L361 HydrophobicContact CD2-CD1 4.37Å; Y114-L361 HydrophobicContact CD2-CD2 3.37Å; Y114-L361 HydrophobicContact CD2-CG 4.49Å; Y114-L361 HydrophobicContact CE2-CD2 3.46Å; Y114-L361 VanDerWaalsContact CE2-CD2 3.46Å; Y114-L361 HydrophobicContact CG-CD2 4.43Å
115W85.1Confident83.6Confident30 Ų3045.7 Ų45.711%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-128.7129.5-176.7-63.191.1000110.3R101 R104 T113 F117 Y123 E125 W333R101-W115 HydrophobicContact CB-CE3 4.32Å; R101-W115 HydrophobicContact CB-CZ3 4.18Å; R101-W115 HydrophobicContact CG-CE3 4.47Å; R101-W115 HydrophobicContact CG-CZ3 4.44Å; R104-W115 HydrophobicContact CB-CD2 4.38Å; R104-W115 HydrophobicContact CB-CE3 3.85Å; R104-W115 HydrophobicContact CB-CH2 3.9Å; R104-W115 HydrophobicContact CB-CZ2 4.43Å; R104-W115 HydrophobicContact CB-CZ3 3.59Å; R104-W115 HydrophobicContact CG-CD2 4.38Å; R104-W115 HydrophobicContact CG-CE3 4.32Å; R104-W115 HydrophobicContact CG-CH2 4.05Å; R104-W115 HydrophobicContact CG-CZ2 4.11Å; R104-W115 HydrophobicContact CG-CZ3 4.16Å; T113-W115 HydrophobicContact CG2-CD2 4.49Å; T113-W115 HydrophobicContact CG2-CZ2 4.1Å; T113-W115 VanDerWaalsContact CG2-NE1 3.27Å; W115-F117 HydrophobicContact CB-CD2 4.09Å; W115-F117 HydrophobicContact CB-CE2 3.55Å; W115-F117 HydrophobicContact CG-CE2 4.4Å; W115-Y123 PolarHBondContact N-O 2.97Å; W115-Y123 PolarHBondContact O-N 3.28Å; W115-E125 PolarHBondContact NE1-OE2 2.97Å; W115-W333 HydrophobicContact CB-CZ3 4.12Å; W115-W333 AromaticContact CD1-CE3 4Å; W115-W333 AromaticContact CD1-CH2 3.54Å; W115-W333 AromaticContact CD1-CZ3 3.12Å; W115-W333 AromaticContact CD2-CH2 3.96Å; W115-W333 HydrophobicContact CD2-CH2 3.96Å; W115-W333 AromaticContact CD2-CZ3 3.97Å; W115-W333 HydrophobicContact CD2-CZ3 3.97Å; W115-W333 AromaticContact CE2-CH2 3.5Å; W115-W333 VanDerWaalsContact CE2-CH2 3.5Å; W115-W333 AromaticContact CE2-CZ3 3.9Å; W115-W333 AromaticContact CG-CH2 3.98Å; W115-W333 HydrophobicContact CG-CH2 3.98Å; W115-W333 AromaticContact CG-CZ3 3.5Å; W115-W333 HydrophobicContact CG-CZ3 3.5Å; W115-W333 HydrophobicContact CZ2-CH2 4.06Å; W115-W333 AromaticContact NE1-CH2 3.17Å; W115-W333 AromaticContact NE1-CZ3 3.33Å; W115-W333 VanDerWaalsContact NE1-CZ3 3.33Å
116Y79.3Confident83.5Confident32 Ų3247 Ų4713%0.12522%0.222CC..EExtended strand (participates in β ladder)trans-94.4126.1171.1-179.6-110.8000109.6V102 I103 G119 W343 F369V102-Y116 WeakPolarHBondContact CB-O 3.3Å; I103-Y116 PolarHBondContact N-O 3.24Å; I103-Y116 PolarHBondContact O-N 3.47Å; I103-Y116 VanDerWaalsContact O-N 3.07Å; Y116-G119 WeakPolarHBondContact CE2-O 3.34Å; Y116-G119 PolarHBondContact OH-N 2.68Å; Y116-G119 PolarHBondContact OH-O 3.48Å; Y116-W343 HydrophobicContact CD2-CH2 4.17Å; Y116-W343 HydrophobicContact CE2-CH2 4.49Å; Y116-F369 AromaticContact CD1-CE1 3.92Å; Y116-F369 HydrophobicContact CD1-CE1 3.92Å; Y116-F369 HydrophobicContact CD2-CD1 4.3Å; Y116-F369 AromaticContact CD2-CE1 3.93Å; Y116-F369 HydrophobicContact CD2-CE1 3.93Å; Y116-F369 HydrophobicContact CE1-CE1 4.18Å; Y116-F369 HydrophobicContact CE2-CD1 4.38Å; Y116-F369 HydrophobicContact CE2-CE1 4.2Å; Y116-F369 AromaticContact CG-CE1 3.78Å; Y116-F369 HydrophobicContact CG-CE1 3.78Å
117F68Low83.1Confident35 Ų3548.8 Ų48.815%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-118.9123.9170-67.4-106.5000105M100 R101 W115 Y123 W333M100-F117 HydrophobicContact CB-CD1 4.23Å; M100-F117 HydrophobicContact CB-CE1 4.09Å; M100-F117 WeakPolarHBondContact O-CD1 3.35Å; M100-F117 WeakPolarHBondContact O-CE1 3.48Å; R101-F117 HydrophobicContact CB-CE1 4.41Å; R101-F117 HydrophobicContact CB-CZ 4.34Å; R101-F117 HydrophobicContact CG-CE1 4.12Å; R101-F117 HydrophobicContact CG-CZ 3.79Å; W115-F117 HydrophobicContact CB-CD2 4.09Å; W115-F117 HydrophobicContact CB-CE2 3.55Å; W115-F117 HydrophobicContact CG-CE2 4.4Å; F117-Y123 HydrophobicContact CB-CD2 4.21Å; F117-Y123 HydrophobicContact CB-CE2 4.05Å; F117-Y123 AromaticContact CD2-CD2 3.54Å; F117-Y123 HydrophobicContact CD2-CD2 3.54Å; F117-Y123 HydrophobicContact CD2-CE2 4.13Å; F117-Y123 HydrophobicContact CD2-CG 4.02Å; F117-Y123 HydrophobicContact CE2-CD2 4.25Å; F117-Y123 HydrophobicContact CE2-CG 4.28Å; F117-Y123 HydrophobicContact CG-CD2 4.2Å; F117-Y123 HydrophobicContact CG-CE2 4.35Å; F117-W333 HydrophobicContact CE2-CZ3 4.32Å; F117-W333 HydrophobicContact CZ-CZ3 4.38Å
118Y66.3Low82Confident196 Ų19651 Ų5177%0.76924%0.24SC*.THydrogen-bonded Turntrans-27.2135.7-171.4-72.4-82.1000115.9V102V102-Y118 HydrophobicContact CB-CD2 4.48Å; V102-Y118 HydrophobicContact CB-CE2 4.23Å; V102-Y118 HydrophobicContact CG1-CD2 4.15Å; V102-Y118 HydrophobicContact CG1-CE2 3.51Å; V102-Y118 HydrophobicContact CG2-CD2 3.54Å; V102-Y118 HydrophobicContact CG2-CE2 3.58Å
119G73.2Confident80.4Confident24 Ų2457.4 Ų57.425%0.24727%0.273CS..THydrogen-bonded Turntrans114.6-139.3175.700000111.7Y116 I373Y116-G119 WeakPolarHBondContact CE2-O 3.34Å; Y116-G119 PolarHBondContact OH-N 2.68Å; Y116-G119 PolarHBondContact OH-O 3.48Å; G119-I373 WeakPolarHBondContact O-CD1 3.48Å
120T79.3Confident78.6Confident12 Ų1257.2 Ų57.27%0.07428%0.277CS..THydrogen-bonded Turntrans-108.210.6-17357.20000114W343 F376 Y377T120-W343 PolarHBondContact O-NE1 3.3Å; T120-F376 HydrophobicContact CG2-CB 3.93Å; T120-F376 HydrophobicContact CG2-CG 4.47Å; T120-Y377 WeakPolarHBondContact CB-OH 3.37Å; T120-Y377 HydrophobicContact CG2-CD2 4.27Å; T120-Y377 HydrophobicContact CG2-CE2 3.87Å; T120-Y377 PolarHBondContact OG1-OH 2.94Å
121R84.2Confident76.3Confident113 Ų11359 Ų5943%0.42629%0.285SS..EExtended strand (participates in β ladder)trans-105.4138.3-175.4-73.4179.1176158.4-3.2112.1Y123 C337 D338R121-Y123 HydrophobicContact CB-CD2 4.34Å; R121-Y123 HydrophobicContact CB-CE2 3.64Å; R121-Y123 WeakPolarHBondContact CD-OH 3.48Å; R121-C337 WeakPolarHBondContact CA-O 3.35Å; R121-D338 VanDerWaalsContact CG-OD1 3.26Å; R121-D338 WeakPolarHBondContact CG-OD1 3.45Å; R121-D338 IonicContact CZ-OD1 3.84Å; R121-D338 IonicContact NE-OD1 3.75Å; R121-D338 PolarHBondContact NE-OD1 2.88Å; R121-D338 IonicContact NE-OD2 2.84Å; R121-D338 IonicContact NH2-OD1 2.81Å; R121-D338 IonicContact NH2-OD2 3.28Å
122L87.3Confident73.8Confident0 Ų063.6 Ų63.60%031%0.308CS..EExtended strand (participates in β ladder)trans-112.2131.7168.1-172.767.6000109.4L105 Y114 R336 C337 W343 L346L105-L122 HydrophobicContact CD1-CD1 3.53Å; Y114-L122 HydrophobicContact CD1-CD2 4.01Å; Y114-L122 HydrophobicContact CD1-CG 4.35Å; Y114-L122 HydrophobicContact CG-CD2 4.48Å; L122-R336 PolarHBondContact O-N 3.29Å; L122-C337 HydrophobicContact CB-CB 3.8Å; L122-C337 PolarHBondContact N-O 2.86Å; L122-C337 PolarHBondContact O-N 3.33Å; L122-W343 HydrophobicContact CB-CH2 3.86Å; L122-W343 HydrophobicContact CB-CZ2 3.65Å; L122-W343 HydrophobicContact CB-CZ3 4.45Å; L122-W343 HydrophobicContact CD1-CH2 4.01Å; L122-W343 HydrophobicContact CD1-CZ3 4.44Å; L122-W343 HydrophobicContact CD2-CZ3 4.39Å; L122-W343 HydrophobicContact CG-CH2 4.35Å; L122-L346 HydrophobicContact CD2-CD2 3.21Å
123Y87.9Confident71.1Confident62 Ų6269.5 Ų69.524%0.24334%0.337CS..EExtended strand (participates in β ladder)trans-106.7144.1178.4-67.1-100.1000110.3Y114 W115 F117 R121 H334 V335Y114-Y123 CarbonylContact C-O 3.57Å; Y114-Y123 VanDerWaalsContact CA-O 3.31Å; Y114-Y123 WeakPolarHBondContact CA-O 3.29Å; W115-Y123 PolarHBondContact N-O 2.97Å; W115-Y123 PolarHBondContact O-N 3.28Å; F117-Y123 HydrophobicContact CB-CD2 4.21Å; F117-Y123 HydrophobicContact CB-CE2 4.05Å; F117-Y123 AromaticContact CD2-CD2 3.54Å; F117-Y123 HydrophobicContact CD2-CD2 3.54Å; F117-Y123 HydrophobicContact CD2-CE2 4.13Å; F117-Y123 HydrophobicContact CD2-CG 4.02Å; F117-Y123 HydrophobicContact CE2-CD2 4.25Å; F117-Y123 HydrophobicContact CE2-CG 4.28Å; F117-Y123 HydrophobicContact CG-CD2 4.2Å; F117-Y123 HydrophobicContact CG-CE2 4.35Å; R121-Y123 HydrophobicContact CB-CD2 4.34Å; R121-Y123 HydrophobicContact CB-CE2 3.64Å; R121-Y123 WeakPolarHBondContact CD-OH 3.48Å; Y123-H334 WeakPolarHBondContact CA-O 3.42Å; Y123-V335 HydrophobicContact CD1-CG2 3.95Å; Y123-V335 HydrophobicContact CE1-CG2 3.49Å; Y123-V335 VanDerWaalsContact CE1-CG2 3.49Å
124A88.6Confident68.3Low0 Ų074.7 Ų74.70%037%0.371CS..EExtended strand (participates in β ladder)trans-118.9138.9175.900000109.9V112 T113 Y114 W333 H334 R336V112-A124 HydrophobicContact CG1-CB 3.62Å; T113-A124 CarbonylContact O-C 3.55Å; T113-A124 WeakPolarHBondContact O-CA 3.49Å; Y114-A124 HydrophobicContact CD1-CB 3.96Å; Y114-A124 HydrophobicContact CE1-CB 3.87Å; A124-W333 CarbonylContact O-C 3.53Å; A124-W333 VanDerWaalsContact O-CA 3.31Å; A124-W333 WeakPolarHBondContact O-CA 3.36Å; A124-H334 PolarHBondContact N-O 3.04Å; A124-H334 PolarHBondContact O-N 2.86Å; A124-R336 HydrophobicContact CB-CB 3.9Å
125E87.1Confident65.6Low6 Ų681.1 Ų81.13%0.02841%0.405CS..EExtended strand (participates in β ladder)trans-117.3116178.1178.9-173.7-166.400108.7V112 T113 W115 R331 R332 W333V112-E125 CarbonylContact C-O 3.56Å; V112-E125 VanDerWaalsContact CA-O 3.29Å; V112-E125 WeakPolarHBondContact CA-O 3.35Å; T113-E125 PolarHBondContact N-O 2.82Å; T113-E125 PolarHBondContact O-N 3.38Å; W115-E125 PolarHBondContact NE1-OE2 2.97Å; E125-R331 HydrophobicContact CG-CB 4.11Å; E125-R331 WeakPolarHBondContact OE1-CD 3.44Å; E125-R331 IonicContact OE1-NE 3.79Å; E125-R331 IonicContact OE1-NH1 2.68Å; E125-R331 PolarHBondContact OE1-NH1 3.12Å; E125-R332 WeakPolarHBondContact CA-O 3.03Å; E125-W333 HydrophobicContact CB-CD2 3.86Å; E125-W333 HydrophobicContact CB-CE3 3.97Å; E125-W333 HydrophobicContact CB-CG 4.46Å; E125-W333 HydrophobicContact CB-CH2 4.28Å; E125-W333 HydrophobicContact CB-CZ2 4.16Å; E125-W333 HydrophobicContact CB-CZ3 4.2Å; E125-W333 VanDerWaalsContact CD-CE2 3.44Å; E125-W333 HydrophobicContact CG-CD2 3.93Å; E125-W333 HydrophobicContact CG-CE3 4.45Å; E125-W333 HydrophobicContact CG-CG 4.4Å; E125-W333 HydrophobicContact CG-CH2 4.31Å; E125-W333 HydrophobicContact CG-CZ2 3.74Å; E125-W333 WeakPolarHBondContact OE1-CZ2 3.41Å; E125-W333 WeakPolarHBondContact OE2-CH2 3.29Å; E125-W333 WeakPolarHBondContact OE2-CZ2 3.31Å
126D83.5Confident63Low47 Ų4791 Ų9125%0.25144%0.442SS..  trans-69.2145.2178.4-67.7-36.8000111.3R332 H334D126-R332 HydrophobicContact CB-CB 4.25Å; D126-R332 PolarHBondContact N-O 3.34Å; D126-R332 WeakPolarHBondContact OD2-CB 3.37Å; D126-R332 WeakPolarHBondContact OD2-CD 3.49Å; D126-H334 IonicContact OD1-CE1 3.25Å; D126-H334 PolarHBondContact OD1-CE1 3.32Å; D126-H334 IonicContact OD2-CE1 3.72Å; D126-H334 IonicContact OD2-ND1 2.77Å
127P79Confident60.8Low59 Ų5997.4 Ų97.438%0.38347%0.473SS..  trans-63.4150.117529.1-36.5000111.5I129P127-I129 PolarHBondContact O-N 3.32Å; P127-I129 VanDerWaalsContact O-N 3.1Å
128E65.4Low59.4Low95 Ų9598.6 Ų98.644%0.44450%0.496SS..  trans-60.5113.4177.5-75.4174-156.300111.8K130 R331E128-K130 PolarHBondContact O-N 2.99Å; E128-R331 HydrophobicContact CG-CG 3.68Å; E128-R331 IonicContact OE1-CZ 2.72Å; E128-R331 VanDerWaalsContact OE1-CZ 3.25Å; E128-R331 IonicContact OE1-NE 3.88Å; E128-R331 PolarHBondContact OE1-NE 3.19Å; E128-R331 IonicContact OE1-NH2 3.6Å; E128-R331 PolarHBondContact OE1-NH2 2.76Å
129I54.1Low58.4Low149 Ų14994.7 Ų94.776%0.76449%0.488SS*.  trans-79105.1172.6-55.5174.8000108.7P127 I131P127-I129 PolarHBondContact O-N 3.32Å; P127-I129 VanDerWaalsContact O-N 3.1Å; I129-I131 HydrophobicContact CG2-CG1 4.22Å; I129-I131 PolarHBondContact O-N 2.97Å; I129-I131 VanDerWaalsContact O-N 3.13Å
130K48.8Very low56.9Low178 Ų178101 Ų10177%0.77451%0.509SS*.  trans-76.394.4169-68.2-175.4-178.91800110E128 T132E128-K130 PolarHBondContact O-N 2.99Å; K130-T132 PolarHBondContact O-N 2.74Å; K130-T132 VanDerWaalsContact O-N 3.14Å
131I35.2Very low55Low144 Ų144110.1 Ų110.174%0.73855%0.547SS*.  trans-67.3110.1173-56.4175.2000108.6I129 I133I129-I131 HydrophobicContact CG2-CG1 4.22Å; I129-I131 PolarHBondContact O-N 2.97Å; I129-I131 VanDerWaalsContact O-N 3.13Å; I131-I133 HydrophobicContact CG2-CG1 4.26Å
132T33.2Very low53Low126 Ų126113 Ų11377%0.77356%0.563SS**  trans-96106.1170.4-45.10000108.3K130 P134K130-T132 PolarHBondContact O-N 2.74Å; K130-T132 VanDerWaalsContact O-N 3.14Å; T132-P134 WeakPolarHBondContact O-CD 3.46Å
133I29.6Very low50.9Low138 Ų138122.1 Ų122.171%0.70860%0.597SS**  trans-74.3118.5175.4-55.5172.5000108.2I131 L135I131-I133 HydrophobicContact CG2-CG1 4.26Å; I133-L135 PolarHBondContact O-N 3.44Å; I133-L135 VanDerWaalsContact O-N 3.11Å
134P31Very low48.6Very low114 Ų114128.2 Ų128.274%0.7463%0.625SS**  trans-69.9109.8175.526.4-30.1000109.9T132 R136T132-P134 WeakPolarHBondContact O-CD 3.46Å; P134-R136 PolarHBondContact O-N 2.92Å
135L31.7Very low46.3Very low144 Ų144139.4 Ų139.475%0.75467%0.667SS**  trans-61.2126171-71.9162.8000109.9I133I133-L135 PolarHBondContact O-N 3.44Å; I133-L135 VanDerWaalsContact O-N 3.11Å
136R31.1Very low43.9Very low236 Ų236145.6 Ų145.689%0.89170%0.7SS**  trans-52.7141.6175.9-85-177.3173.6-169.4-0.9111P134 G138P134-R136 PolarHBondContact O-N 2.92Å; R136-G138 VanDerWaalsContact C-N 3.35Å; R136-G138 PolarHBondContact O-N 3.26Å
137H31.8Very low42Very low167 Ų167154.4 Ų154.477%0.77373%0.729SS**THydrogen-bonded Turntrans-64.186179-87.370.9000111.5K140H137-K140 PolarHBondContact NE2-NZ 3.05Å
138G39.5Very low40.1Very low61 Ų61159 Ų15963%0.62975%0.75SS**THydrogen-bonded Turntrans-144.9-32.1172.600000113.8R136R136-G138 VanDerWaalsContact C-N 3.35Å; R136-G138 PolarHBondContact O-N 3.26Å
139D45.8Very low38.8Very low114 Ų114158.7 Ų158.761%0.6176%0.757SS**  trans-100.44.4-166.1-66.1-48.7000116.4K141 K142D139-K141 PolarHBondContact O-N 3.35Å; D139-K141 VanDerWaalsContact O-N 3.11Å; D139-K142 PolarHBondContact O-N 2.86Å
140K41.3Very low37.9Very low157 Ų157159.3 Ų159.368%0.68376%0.763SS**THydrogen-bonded Turntrans-65.6-15.9-176.7-72.4-178.9178.6172.10114.1H137H137-K140 PolarHBondContact NE2-NZ 3.05Å
141K39.5Very low37.2Very low203 Ų203155.1 Ų155.188%0.88376%0.761SS**THydrogen-bonded Turntrans-86.1-21178.6-89.8-178.5176.5176.90115D139D139-K141 PolarHBondContact O-N 3.35Å; D139-K141 VanDerWaalsContact O-N 3.11Å
142K41.8Very low37.1Very low172 Ų172157 Ų15775%0.74877%0.767SS**THydrogen-bonded Turntrans-85.3-28.5-179-90.7-178.6174.7178.80114.1D139 K144 R145D139-K142 PolarHBondContact O-N 2.86Å; K142-K144 VanDerWaalsContact C-N 3.33Å; K142-K144 PolarHBondContact O-N 2.9Å; K142-R145 PolarHBondContact O-N 3.32Å
143R42.7Very low37.1Very low193 Ų193159.5 Ų159.573%0.72877%0.773SS**G310 helixtrans-74.7-10.8-174.9-71.7177.391.2172.15.6115.8
144K39.5Very low37.3Very low189 Ų189162 Ų16282%0.82278%0.782SS**G310 helixtrans-78.8-12.9175.5-87.1-171.7175.9-176.30114.4K142K142-K144 VanDerWaalsContact C-N 3.33Å; K142-K144 PolarHBondContact O-N 2.9Å
145R39.8Very low37.3Very low235 Ų235164 Ų16489%0.88779%0.785SS**G310 helixtrans-93.5-7.4-179-91.6-176.2173.9-176.4-2.2115.6K142K142-R145 PolarHBondContact O-N 3.32Å
146L38.7Very low37.4Very low137 Ų137166.6 Ų166.672%0.71779%0.793SS**SBendtrans-109.57.7-173.1-88.6149000115.1
147R41.8Very low37.5Very low231 Ų231159.2 Ų159.287%0.87279%0.79SS**SBendtrans-92.813-179-68.2-176.3101.5156.74114.9
148I40.5Very low37.6Very low157 Ų157155.6 Ų155.681%0.80579%0.789SS**SBendtrans-110.9-5.8-171.8-64.4178.1000113.9
149S37.9Very low37.3Very low87 Ų87159.7 Ų159.761%0.60880%0.802SS**SBendtrans-106.3-6.3-165.856.60000119.4
150N34.8Very low36.7Very low163 Ų163163.2 Ų163.287%0.87281%0.812SS**  trans-129.941.5-175.5-79.5-8.1000115.1
151A33.3Very low36.2Very low89 Ų89163.7 Ų163.774%0.73682%0.821SS**  trans-111.276.3168.400000110.3
152Q33.9Very low36.1Very low185 Ų185159 Ų15986%0.86481%0.811SS**  trans-179117.4162.2-109.9155.8-2400109
153I32.3Very low35.4Very low177 Ų177158.6 Ų158.691%0.90881%0.81SS**  172.5129.1129.6-82.5152.9000108.3
154Q34.5Very low35Very low192 Ų192157 Ų15790%0.89782%0.815SS**  trans-92.2161.8-162.7-77.5164.3-4300114
155I30.4Very low34.6Very low154 Ų154154 Ų15479%0.7981%0.807SS**  trans-60.5151.2172.9-58.6152.9000113.1
156H34.6Very low34.4Very low200 Ų200150.8 Ų150.893%0.92680%0.803SS**  trans-160.4133141.5-103.335.5000112.2
157G33.7Very low34.2Very low80 Ų80148.6 Ų148.683%0.82580%0.799SS**  trans149.278166.800000115.8
158A32.5Very low33.8Very low91 Ų91144.4 Ų144.475%0.75279%0.789SS**  trans-71.8162.8-179.800000113.7
159T34.9Very low33.5Very low148 Ų148144.9 Ų144.991%0.90879%0.785SS**  -159.6136.7102.5-49.30000111.9
160K33.3Very low33.2Very low187 Ų187144.8 Ų144.881%0.81379%0.79SS**  trans-74162.1-174.6-71.1169.9168.6175.90114.8
161L30.4Very low33.1Very low168 Ų168145.1 Ų145.188%0.8879%0.786SS**  -174.3155.3111.1-88.8168.7000111
162P36.2Very low33.2Very low104 Ų104150.2 Ų150.268%0.67579%0.792SS**  trans-137.6170.5-131.745-27.3000117.6
163F28.1Very low33.1Very low164 Ų164145.9 Ų145.972%0.71979%0.788SS**  trans67.6133.1137.9-126.9-103.7000123.9D165F163-D165 HydrophobicContact CD1-CB 4.24Å; F163-D165 HydrophobicContact CE1-CB 3.75Å; F163-D165 HydrophobicContact CZ-CB 4.33Å
164L34.4Very low33.1Very low160 Ų160144.4 Ų144.484%0.83879%0.786SS**  trans15290136.3-79.5175.3000107.2
165D31Very low33.2Very low124 Ų124140.7 Ų140.766%0.66378%0.779SS**  77148.764.8-152.918.7000115.2F163F163-D165 HydrophobicContact CD1-CB 4.24Å; F163-D165 HydrophobicContact CE1-CB 3.75Å; F163-D165 HydrophobicContact CZ-CB 4.33Å
166E35.3Very low33.2Very low169 Ų169137.6 Ų137.679%0.7978%0.776SS**  trans102.190.4-178.7-57.8-163173.600114.7
167S33.6Very low33.2Very low91 Ų91137.5 Ų137.564%0.63678%0.776SS**  71.7142.171.186.10000111.2
168E33.7Very low33Very low142 Ų142139.5 Ų139.566%0.66477%0.773SS**  cis177.5135.315.3-127.3-176.9167.100103.9
169K34.3Very low32.8Very low167 Ų167140.6 Ų140.673%0.72677%0.77SS**  140.6117.3104.8-95.6157.9175.9148.80106.8
170A32.1Very low32.5Very low86 Ų86141.8 Ų141.871%0.71177%0.769SS**  64.713582.400000111.1
171E32.5Very low32.2Very low169 Ų169136.7 Ų136.779%0.7976%0.762SS**  cis175.7139.736.3-150.3174.2-156.900108.1
172K35.1Very low32Very low197 Ų197135.2 Ų135.286%0.85776%0.759SS**  164.3125.8121.9-90.1174.3-177.3177.80113.4
173A31.8Very low31.7Very low94 Ų94135.7 Ų135.778%0.77777%0.765SS**  trans-99.9163.7-172.400000113.2
174V32.7Very low31.8Very low145 Ų145132.9 Ų132.988%0.87977%0.772SS**  trans-138.4130.4145.6-177.90000107.9
175P36.4Very low31.6Very low114 Ų114133.3 Ų133.374%0.7477%0.772SS**  trans-110.6160.5-164.640.6-32.9000116.5
176A31.8Very low31.8Very low89 Ų89132.2 Ų132.274%0.73677%0.771SS**  trans72.1114136.500000122.4
177E32.9Very low31.8Very low198 Ų198132.2 Ų132.293%0.92577%0.771SS**  -139.1152.8122-116.4-178.6-17600110.2
178T30.9Very low32Very low122 Ų122133.3 Ų133.375%0.74877%0.767SS**  trans-107.4123.2-131.7-63.80000115
179V28.1Very low32.3Very low114 Ų114134.5 Ų134.569%0.69177%0.772SS**  trans35.1119.7131.5-168.60000120.4A181V179-A181 HydrophobicContact CG1-CB 4.12Å
180I28.1Very low32.4Very low174 Ų174130.4 Ų130.489%0.89277%0.765SS**  -130.7109.3124.8-58.3-178.7000107.9
181A26.1Very low33Very low80 Ų80129.9 Ų129.966%0.66175%0.752SS**  trans-101.3137.9176.400000110.8V179V179-A181 HydrophobicContact CG1-CB 4.12Å
182V28Very low33.4Very low136 Ų136128.7 Ų128.782%0.82474%0.741SS**  trans-144.9115.1153-175.80000109.5
183S28.5Very low33.9Very low115 Ų115126 Ų12680%0.80473%0.731SS**  trans44.4104.2159.7-720000121
184A29.9Very low34.5Very low105 Ų105126.6 Ų126.687%0.86872%0.718SS**PPolyproline II helixtrans-86.9134.314900000109.6
185M30.4Very low35.4Very low169 Ų169124.5 Ų124.583%0.83370%0.699SS**PPolyproline II helixtrans-98.1150.8163.1-72.4-153.573.400109.4
186P35.8Very low36Very low100 Ų100124.2 Ų124.265%0.64969%0.687SS**PPolyproline II helixtrans-83.7133.2-162.7-0.819.8000112.6E188P186-E188 VanDerWaalsContact C-N 3.27Å; P186-E188 HydrophobicContact CB-CG 4.41Å; P186-E188 PolarHBondContact O-N 3.43Å
187Q36.4Very low36.6Very low169 Ų169125.4 Ų125.479%0.7968%0.681SS**  trans-86.845.3169.6-67.5-161-71.500112.3
188E37.5Very low37.2Very low114 Ų114119.9 Ų119.953%0.53366%0.655SS.*  trans-98-10-173.3-76.4-168.7-174.800115.4P186 R192P186-E188 VanDerWaalsContact C-N 3.27Å; P186-E188 HydrophobicContact CB-CG 4.41Å; P186-E188 PolarHBondContact O-N 3.43Å; E188-R192 IonicContact OE2-CZ 3.33Å; E188-R192 IonicContact OE2-NH1 2.75Å; E188-R192 IonicContact OE2-NH2 3.71Å; E188-R192 PolarHBondContact OE2-NH2 2.98Å
189E38.3Very low37.9Very low168 Ų168122 Ų12279%0.78565%0.649SS**Hα-helixtrans-85.2-34-176.8-99.1163.4167.800114.1V191 R192E189-V191 VanDerWaalsContact C-N 3.33Å; E189-V191 PolarHBondContact O-N 3.37Å; E189-R192 PolarHBondContact O-N 3.01Å
190S36.7Very low38.9Very low81 Ų81122.8 Ų122.857%0.56665%0.65SS**Hα-helixtrans-74.8-20.6-178.765.80000114.2
191V44.5Very low39.6Very low75 Ų75120.7 Ų120.746%0.45564%0.639SS.*Hα-helixtrans-83.4-28.8178.3-176.80000111.1E189 E195E189-V191 VanDerWaalsContact C-N 3.33Å; E189-V191 PolarHBondContact O-N 3.37Å; V191-E195 PolarHBondContact O-N 3.42Å
192R41.9Very low39.9Very low144 Ų144120.2 Ų120.254%0.54364%0.643SS.*Hα-helixtrans-72.8-38.4179.2-75.2-176.7-178.5128.112.4112.6E188 E189 E195 E196E188-R192 IonicContact OE2-CZ 3.33Å; E188-R192 IonicContact OE2-NH1 2.75Å; E188-R192 IonicContact OE2-NH2 3.71Å; E188-R192 PolarHBondContact OE2-NH2 2.98Å; E189-R192 PolarHBondContact O-N 3.01Å; R192-E195 PolarHBondContact O-N 2.9Å; R192-E196 WeakPolarHBondContact O-CB 3.31Å; R192-E196 PolarHBondContact O-N 3.41Å
193E44.5Very low40.4Very low139 Ų139119 Ų11965%0.6563%0.631SS**Hα-helixtrans-67.3-35.2176.9-72.3-176.1156.800112.4E196 L197E193-E196 PolarHBondContact O-N 3.45Å; E193-L197 PolarHBondContact O-N 2.88Å
194E45.7Very low40.9Very low107 Ų107117.3 Ų117.350%0.562%0.616SS.*Hα-helixtrans-70.9-37.7177.6-158.3179.9174.700112Q198E194-Q198 VanDerWaalsContact O-CG 3.29Å; E194-Q198 WeakPolarHBondContact O-CG 3.43Å; E194-Q198 PolarHBondContact O-N 3.28Å
195E50.3Low41.3Very low102 Ų102121 Ų12148%0.47761%0.607SS.*Hα-helixtrans-72.2-29174.6-74.8-175.8166.500113.2V191 R192 R199V191-E195 PolarHBondContact O-N 3.42Å; R192-E195 PolarHBondContact O-N 2.9Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 VanDerWaalsContact O-N 3.14Å
196E50Low42Very low107 Ų107119.3 Ų119.350%0.560%0.602SS.*Hα-helixtrans-77.3-35.4177.8-162.6160.1-144.500112R192 E193 R199 N200R192-E196 WeakPolarHBondContact O-CB 3.31Å; R192-E196 PolarHBondContact O-N 3.41Å; E193-E196 PolarHBondContact O-N 3.45Å; E196-R199 PolarHBondContact O-N 2.94Å; E196-N200 PolarHBondContact O-N 3.29Å; E196-N200 PolarHBondContact O-ND2 3.34Å
197L44.3Very low42.3Very low114 Ų114119.6 Ų119.660%0.59759%0.594SS**Hα-helixtrans-65.5-36169.1-83.7160.9000112.7E193E193-L197 PolarHBondContact O-N 2.88Å
198Q46.1Very low42.5Very low83 Ų83114 Ų11439%0.38857%0.572SS.*Hα-helixtrans-71.5-32.4176.3-73.6173.712.300112.9E194E194-Q198 VanDerWaalsContact O-CG 3.29Å; E194-Q198 WeakPolarHBondContact O-CG 3.43Å; E194-Q198 PolarHBondContact O-N 3.28Å
199R45.8Very low42.7Very low166 Ų166111.5 Ų111.563%0.62657%0.571SS**Hα-helixtrans-68.7-34.5173.9-98.3-177.6-87.8123.2-3.5113.2E195 E196 L201E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 VanDerWaalsContact O-N 3.14Å; E196-R199 PolarHBondContact O-N 2.94Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 2.89Å
200N48.2Very low43.4Very low131 Ų131107.2 Ų107.270%0.70156%0.559SS**Hα-helixtrans-76.9-11.7-178.1-72.7-24.4000114.3E196E196-N200 PolarHBondContact O-N 3.29Å; E196-N200 PolarHBondContact O-ND2 3.34Å
201L42.2Very low43.9Very low129 Ų129107 Ų10768%0.67556%0.558SS**THydrogen-bonded Turntrans-106.92.2-178-74.3168.1000114.7R199 L203R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 2.89Å; L201-L203 WeakPolarHBondContact O-CG 3.33Å; L201-L203 PolarHBondContact O-N 2.94Å
202G34Very low43.9Very low71 Ų71109 Ų10973%0.73257%0.565SS**THydrogen-bonded Turntrans59.117.6167.200000116.8
203L37.6Very low44.5Very low109 Ų109105.8 Ų105.857%0.57157%0.565SS**  trans-129129.8-175-69.8165.8000110.1L201 T208L201-L203 WeakPolarHBondContact O-CG 3.33Å; L201-L203 PolarHBondContact O-N 2.94Å; L203-T208 HydrophobicContact CB-CG2 3.76Å; L203-T208 HydrophobicContact CD1-CG2 4.19Å
204T39.3Very low45.2Very low81 Ų81107.7 Ų107.750%0.49757%0.566SS.*  trans-75147.9177.466.80000111N206 E207 T208T204-N206 PolarHBondContact O-N 2.93Å; T204-E207 PolarHBondContact N-OE2 2.74Å; T204-E207 PolarHBondContact O-N 2.9Å; T204-E207 VanDerWaalsContact OG1-CG 3.3Å; T204-E207 WeakPolarHBondContact OG1-CG 3.5Å; T204-E207 PolarHBondContact OG1-OE2 2.95Å; T204-T208 PolarHBondContact O-N 3.46Å
205R37.6Very low45.3Very low181 Ų181107.4 Ų107.468%0.68357%0.567SS**Hα-helixtrans-55.8-21.9-175.4-157.8177.1-177.51666.2114.4T208R205-T208 PolarHBondContact O-OG1 3.39Å
206N44.5Very low45.1Very low134 Ų134104.4 Ų104.472%0.71756%0.56SS**Hα-helixtrans-88.8-28.1178.4-71.1-12.3000113T204 S210T204-N206 PolarHBondContact O-N 2.93Å; N206-S210 PolarHBondContact O-N 3.45Å
207E42.4Very low45.2Very low107 Ų107100.9 Ų100.950%0.555%0.553SS.*Hα-helixtrans-78.3-31.3-178.8-71.5168.2148.300112.4T204 S211T204-E207 PolarHBondContact N-OE2 2.74Å; T204-E207 PolarHBondContact O-N 2.9Å; T204-E207 VanDerWaalsContact OG1-CG 3.3Å; T204-E207 WeakPolarHBondContact OG1-CG 3.5Å; T204-E207 PolarHBondContact OG1-OE2 2.95Å; E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3.49Å; E207-S211 PolarHBondContact O-N 3.35Å; E207-S211 VanDerWaalsContact O-N 3.09Å; E207-S211 PolarHBondContact O-OG 3.33Å
208T41.2Very low45.7Very low52 Ų52100.8 Ų100.832%0.31955%0.549SS..Hα-helixtrans-70.2-43.3176.754.50000112.1L203 T204 R205 L212L203-T208 HydrophobicContact CB-CG2 3.76Å; L203-T208 HydrophobicContact CD1-CG2 4.19Å; T204-T208 PolarHBondContact O-N 3.46Å; R205-T208 PolarHBondContact O-OG1 3.39Å; T208-L212 VanDerWaalsContact O-CB 3.31Å; T208-L212 WeakPolarHBondContact O-CB 3.44Å; T208-L212 VanDerWaalsContact O-CG 3.26Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 3.4Å
209A42Very low45.7Very low61 Ų61101.2 Ų101.250%0.50455%0.553SS.*Hα-helixtrans-65.3-44.917900000112.1S213A209-S213 VanDerWaalsContact O-CB 3.31Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 3.43Å; A209-S213 PolarHBondContact O-OG 2.96Å
210S52.7Low45.7Very low78 Ų78100.1 Ų100.155%0.54555%0.55SS..Hα-helixtrans-66.8-42.5176.8-76.60000112.5N206 S213 R214N206-S210 PolarHBondContact O-N 3.45Å; S210-S213 PolarHBondContact O-N 3.16Å; S210-S213 PolarHBondContact O-OG 3.39Å; S210-R214 WeakPolarHBondContact O-CB 3.45Å; S210-R214 PolarHBondContact O-N 2.6Å
211S47.7Very low46.3Very low76 Ų7697.5 Ų97.553%0.53154%0.542SS..Hα-helixtrans-65.8-41.1179.2-60.40000112.2E207 R214 L215E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3.49Å; E207-S211 PolarHBondContact O-N 3.35Å; E207-S211 VanDerWaalsContact O-N 3.09Å; E207-S211 PolarHBondContact O-OG 3.33Å; S211-R214 PolarHBondContact O-N 2.95Å; S211-L215 WeakPolarHBondContact O-CB 3.27Å; S211-L215 PolarHBondContact O-N 3.43Å
212L43.6Very low46.6Very low118 Ų11893.8 Ų93.862%0.61853%0.53SS*.Hα-helixtrans-69.3-38.1175.9-71.3171000112.2T208 R214 L215 A216T208-L212 VanDerWaalsContact O-CB 3.31Å; T208-L212 WeakPolarHBondContact O-CB 3.44Å; T208-L212 VanDerWaalsContact O-CG 3.26Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 3.4Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 2.91Å; L212-L215 PolarHBondContact O-N 2.97Å; L212-A216 VanDerWaalsContact O-CB 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.44Å; L212-A216 PolarHBondContact O-N 3.42Å
213S54.1Low47Very low76 Ų7695.7 Ų95.753%0.53152%0.523SS..Hα-helixtrans-63.2-37.8174.575.40000112.3A209 S210 G217A209-S213 VanDerWaalsContact O-CB 3.31Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 3.43Å; A209-S213 PolarHBondContact O-OG 2.96Å; S210-S213 PolarHBondContact O-N 3.16Å; S210-S213 PolarHBondContact O-OG 3.39Å; S213-G217 PolarHBondContact O-N 3.44Å
214R59.6Low47.4Very low178 Ų17896.8 Ų96.867%0.67253%0.526SS*.Hα-helixtrans-72-42.2179.1-167.2176.9169.2137.71.3111.4S210 S211 L212 G217 E218S210-R214 WeakPolarHBondContact O-CB 3.45Å; S210-R214 PolarHBondContact O-N 2.6Å; S211-R214 PolarHBondContact O-N 2.95Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 2.91Å; R214-G217 PolarHBondContact O-N 3.39Å; R214-E218 IonicContact NE-OE1 3.86Å; R214-E218 WeakPolarHBondContact O-CG 3.46Å; R214-E218 PolarHBondContact O-N 2.79Å
215L48.4Very low47.6Very low101 Ų10196 Ų9653%0.52953%0.527SS..Hα-helixtrans-64.1-41.8174.9-153.3100.7000111.5S211 L212 E218 I219S211-L215 WeakPolarHBondContact O-CB 3.27Å; S211-L215 PolarHBondContact O-N 3.43Å; L212-L215 PolarHBondContact O-N 2.97Å; L215-E218 PolarHBondContact O-N 2.95Å; L215-I219 HydrophobicContact CD2-CD1 4.15Å; L215-I219 HydrophobicContact CG-CD1 4.43Å; L215-I219 WeakPolarHBondContact O-CD1 3.38Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.33Å
216A44.9Very low47.8Very low39 Ų3991.5 Ų91.532%0.32252%0.516SS..Hα-helixtrans-60.6-47173.400000110.9L212 E218 I219 Y220L212-A216 VanDerWaalsContact O-CB 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.44Å; L212-A216 PolarHBondContact O-N 3.42Å; A216-E218 PolarHBondContact O-N 3.22Å; A216-I219 PolarHBondContact O-N 2.91Å; A216-Y220 HydrophobicContact CB-CE2 4.47Å; A216-Y220 WeakPolarHBondContact O-CD2 3.49Å; A216-Y220 PolarHBondContact O-N 2.95Å
217G52.2Low47.7Very low34 Ų3488.1 Ų88.135%0.35150%0.504SS..Hα-helixtrans-58.9-43.817600000113.8S213 R214 I219 Y220 S221S213-G217 PolarHBondContact O-N 3.44Å; R214-G217 PolarHBondContact O-N 3.39Å; G217-I219 VanDerWaalsContact C-N 3.34Å; G217-I219 PolarHBondContact O-N 3.39Å; G217-Y220 PolarHBondContact O-N 3.28Å; G217-S221 PolarHBondContact O-N 3.4Å; G217-S221 PolarHBondContact O-OG 3.14Å
218E56.4Low47.4Very low112 Ų11289.1 Ų89.152%0.52351%0.512SS..Hα-helixtrans-64.1-37.6176.7-74172.8-167.600112R214 L215 A216 A222R214-E218 IonicContact NE-OE1 3.86Å; R214-E218 WeakPolarHBondContact O-CG 3.46Å; R214-E218 PolarHBondContact O-N 2.79Å; L215-E218 PolarHBondContact O-N 2.95Å; A216-E218 PolarHBondContact O-N 3.22Å; E218-A222 WeakPolarHBondContact O-CB 3.45Å; E218-A222 PolarHBondContact O-N 3.27Å; E218-A222 VanDerWaalsContact O-N 3.14Å
219I45.2Very low47.4Very low92 Ų9294.1 Ų94.147%0.47253%0.532SS..Hα-helixtrans-66.1-41.8174.8-69.1164.8000111.1L215 A216 G217 N223L215-I219 HydrophobicContact CD2-CD1 4.15Å; L215-I219 HydrophobicContact CG-CD1 4.43Å; L215-I219 WeakPolarHBondContact O-CD1 3.38Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.33Å; A216-I219 PolarHBondContact O-N 2.91Å; G217-I219 VanDerWaalsContact C-N 3.34Å; G217-I219 PolarHBondContact O-N 3.39Å; I219-N223 PolarHBondContact O-N 3.35Å
220Y46.8Very low47.2Very low142 Ų14298.4 Ų98.456%0.55754%0.541SS*.Hα-helixtrans-68.9-44.1180-78.9-66.6000112.4A216 G217 A222 N223 E224A216-Y220 HydrophobicContact CB-CE2 4.47Å; A216-Y220 WeakPolarHBondContact O-CD2 3.49Å; A216-Y220 PolarHBondContact O-N 2.95Å; G217-Y220 PolarHBondContact O-N 3.28Å; Y220-A222 VanDerWaalsContact C-N 3.31Å; Y220-A222 PolarHBondContact O-N 3.1Å; Y220-N223 PolarHBondContact O-N 3.1Å; Y220-N223 VanDerWaalsContact O-N 3.11Å; Y220-E224 PolarHBondContact O-N 3.03Å; Y220-E224 VanDerWaalsContact O-N 3.12Å
221S60.3Low46.4Very low76 Ų76101.8 Ų101.853%0.53155%0.548SS..Hα-helixtrans-66-30.6177.1-66.80000113.3G217 N223 A225G217-S221 PolarHBondContact O-N 3.4Å; G217-S221 PolarHBondContact O-OG 3.14Å; S221-N223 VanDerWaalsContact C-N 3.32Å; S221-A225 PolarHBondContact O-N 3.36Å
222A47.3Very low45.9Very low51 Ų51106.5 Ų106.542%0.42156%0.562SS.*Hα-helixtrans-72.7-22.8173.300000113.5E218 Y220 N226E218-A222 WeakPolarHBondContact O-CB 3.45Å; E218-A222 PolarHBondContact O-N 3.27Å; E218-A222 VanDerWaalsContact O-N 3.14Å; Y220-A222 VanDerWaalsContact C-N 3.31Å; Y220-A222 PolarHBondContact O-N 3.1Å; A222-N226 PolarHBondContact O-ND2 2.59Å
223N42.7Very low45.4Very low111 Ų111105.8 Ų105.859%0.59457%0.567SS**Hα-helixtrans-84.7-35.1175.6-86.5-5.3000112.8I219 Y220 S221I219-N223 PolarHBondContact O-N 3.35Å; Y220-N223 PolarHBondContact O-N 3.1Å; Y220-N223 VanDerWaalsContact O-N 3.11Å; S221-N223 VanDerWaalsContact C-N 3.32Å
224E46.1Very low44.4Very low133 Ų133111.4 Ų111.462%0.62158%0.582SS**Hα-helixtrans-68-37174.3-77.9-178.8156.300112.4Y220 N226 S227Y220-E224 PolarHBondContact O-N 3.03Å; Y220-E224 VanDerWaalsContact O-N 3.12Å; E224-N226 PolarHBondContact O-N 2.95Å; E224-S227 PolarHBondContact O-N 2.99Å; E224-S227 PolarHBondContact O-OG 3.38Å
225A44.1Very low43.4Very low63 Ų63111.9 Ų111.952%0.52159%0.589SS.*Hα-helixtrans-70.4-15.418000000114.4S221S221-A225 PolarHBondContact O-N 3.36Å
226N41.4Very low42.8Very low87 Ų87115.4 Ų115.447%0.46560%0.603SS.*Hα-helixtrans-99-16.9179.2-78.1-58.6000113.4A222 E224 D228A222-N226 PolarHBondContact O-ND2 2.59Å; E224-N226 PolarHBondContact O-N 2.95Å; N226-D228 VanDerWaalsContact C-N 3.33Å
227S42.2Very low42.3Very low64 Ų64121.4 Ų121.445%0.44863%0.63SS.*Hα-helixtrans-76.6-20.7176.141.80000113.6E224E224-S227 PolarHBondContact O-N 2.99Å; E224-S227 PolarHBondContact O-OG 3.38Å
228D37.3Very low41.5Very low127 Ų127129.2 Ų129.268%0.67966%0.657SS**THydrogen-bonded Turntrans-87.2-20.1-177.6-68.8-19.4000113.2N226N226-D228 VanDerWaalsContact C-N 3.33Å
229E40.4Very low40.3Very low157 Ų157128.9 Ų128.973%0.73467%0.667SS**THydrogen-bonded Turntrans-92-23.9-179.5-71-170.6168.500114
230E37.4Very low39.8Very low151 Ų151133 Ų13371%0.70668%0.684SS**THydrogen-bonded Turntrans-84.3-10.6-178.7-70.5-172.8166.100113.8
231H37.2Very low39.3Very low149 Ų149135 Ų13569%0.6970%0.704SS**THydrogen-bonded Turntrans-95.6-5.7-175.6-106.7-60.2000115.7
232E35.8Very low38Very low176 Ų176141 Ų14182%0.82272%0.72SS**SBendtrans-96.4-16177.2-84-161.3153.300114.9
233S34.4Very low37.4Very low102 Ų102144.1 Ų144.171%0.71374%0.739SS**THydrogen-bonded Turntrans-91.33.7-173.391.90000115.9
234F33.3Very low37.2Very low195 Ų195144.7 Ų144.786%0.85575%0.751SS**THydrogen-bonded Turntrans-117.312.1-170.1-127.7-92.5000114.6
235K37.8Very low36.6Very low187 Ų187141.2 Ų141.281%0.81375%0.752SS**SBendtrans-110.66.2-174.3-81.2-176178.41700116.1
236E34.9Very low36.2Very low176 Ų176146.7 Ų146.782%0.82277%0.77SS**SBendtrans-108-6.7-172.2-116.4171173.300116.5
237D35.7Very low36Very low165 Ų165146.9 Ų146.988%0.88278%0.784SS**SBendtrans-108.114.6-168-85.2-17.3000117
238Q35.4Very low35.5Very low197 Ų197149.1 Ų149.192%0.92180%0.8SS**SBendtrans-125.816.3179.2-68.6-159.922.200116
239S31.9Very low35.6Very low105 Ų105149 Ų14973%0.73481%0.806SS**  trans-100.932.1178.561.60000114.8
240E33.6Very low35.3Very low178 Ų178145.9 Ų145.983%0.83281%0.807SS**  trans-14688.3172-73.3-167164.100111.2
241L35.7Very low35.3Very low186 Ų186144 Ų14497%0.97481%0.811SS**  trans-177.484.3148.8-94.9150.2000109
242K34Very low35.1Very low200 Ų200141.8 Ų141.887%0.8781%0.812SS**  trans-87.7155.5173-80.9179.5176.6172.30111.5
243S35Very low35Very low118 Ų118139.5 Ų139.583%0.82581%0.814SS**  trans73.9126.815374.50000114.9
244S38.1Very low35Very low122 Ų122142.7 Ų142.785%0.85382%0.823SS**  cis-168.9157.936.2480000105.6
245G33.6Very low35.2Very low61 Ų61138.9 Ų138.963%0.62982%0.818SS**  cis159150.67.300000107.1
246I35.4Very low34.8Very low177 Ų177133.3 Ų133.391%0.90881%0.814SS**  trans77.1134.2155.4-47.8168.6000115.6
247A36.1Very low34.5Very low91 Ų91136.6 Ų136.675%0.75282%0.819SS**  cis-166.7157.3-14.100000108.2
248S31.9Very low34.4Very low112 Ų112133.8 Ų133.878%0.78381%0.812SS**  trans-79.8-162.5-177-42.60000113.9
249P41.2Very low34Very low123 Ų123129 Ų12980%0.79981%0.806SS**  -137.3-174.7-52.829.2-8000114.5
250A32.9Very low34.4Very low92 Ų92129.9 Ų129.976%0.7681%0.809SS**  trans98111.9145.100000119.9
251S36.9Very low34.2Very low112 Ų112129.1 Ų129.178%0.78381%0.811SS**  170.2135.696.855.80000113.5
252S34.6Very low34.1Very low103 Ų103124.9 Ų124.972%0.7280%0.803SS**  trans28.4120.3148.970.40000122.1
253C32.5Very low34Very low128 Ų128124.3 Ų124.387%0.86580%0.803SS**  162.4151.6100.1-94.60000112.6
254N34.5Very low33.8Very low168 Ų168126.2 Ų126.290%0.89880%0.801SS**  trans-74.1172-160.1-110.8-4.3000117.2
255P37.6Very low33.6Very low115 Ų115126 Ų12675%0.74780%0.799SS**  trans-104.7159.6-15140.6-36.6000115.7
256G30.5Very low33.4Very low71 Ų71129.7 Ų129.773%0.73280%0.8SS**  trans-134.399173.600000113
257W28.1Very low33.2Very low245 Ų245129.3 Ų129.393%0.92880%0.8SS**  trans60.8139.7138.1-73.250.5000122.7
258S32.1Very low32.8Very low105 Ų105129.8 Ų129.873%0.73480%0.798SS**  trans85.2107.8148.6-55.50000119.2
259A29Very low32.9Very low98 Ų98131.1 Ų131.181%0.8180%0.801SS**  trans-74.4156.7158.700000110.9
260P39.2Very low32.2Very low122 Ų122134.5 Ų134.579%0.79281%0.806SS**  trans-124.2161.2143.632-17.7000112.6
261D28.8Very low32.3Very low163 Ų163137.7 Ų137.787%0.87281%0.81SS**  trans-55.9157.9-174.8-56.7-68.9000115.7
262A34.5Very low32.1Very low96 Ų96140.6 Ų140.679%0.79381%0.809SS**  trans-149.1100.4161.100000110.7
263E32.3Very low32.2Very low188 Ų188141 Ų14188%0.87981%0.806SS**  39.1115.3126.7-62.9-171.6158.600121.1
264M30Very low32.4Very low158 Ų158141.5 Ų141.578%0.77880%0.8SS**  21.3125.8125.2-8816147.700120H266M264-H266 WeakPolarHBondContact CE-NE2 3.34Å
265S33.4Very low32.8Very low118 Ų118140.9 Ų140.983%0.82579%0.792SS**  trans-130.6112.5138.668.40000109.6
266H29.9Very low32.9Very low138 Ų138140.8 Ų140.864%0.63978%0.784SS**  trans-62.4145164-78.3-102.1000110.3M264M264-H266 WeakPolarHBondContact CE-NE2 3.34Å
267N31.4Very low33.4Very low169 Ų169141 Ų14190%0.90477%0.771SS**  trans-139.8111.2145.5-93.1-24000108.6
268S27.8Very low34.1Very low102 Ų102132.9 Ų132.971%0.71375%0.752SS**  trans-68.9145.8178.6-54.60000112.4
269T33.6Very low34.5Very low140 Ų140134.1 Ų134.186%0.85975%0.746SS**  trans-15785.3143.518.20000108.1
270E27.4Very low35.1Very low193 Ų193134.6 Ų134.690%0.90273%0.734SS**  trans-75.1123.9161.8-81.9179139.200108.9
271L34.1Very low35.2Very low160 Ų160134.4 Ų134.484%0.83872%0.722SS**  trans-127.9121160.2-79.5172.2000108.9
272K32.1Very low35.9Very low173 Ų173130 Ų13075%0.75270%0.704SS**  trans-31.9122.6-177-70.1165174.6175.80116.4D274K272-D274 VanDerWaalsContact C-N 3.35Å
273V37.3Very low36.1Very low110 Ų110131.9 Ų131.967%0.66770%0.697SS**SBendtrans-79.8-13.7175.6175.70000112.6E275V273-E275 PolarHBondContact O-N 2.79Å
274D37.1Very low36.5Very low140 Ų140126.2 Ų126.275%0.74968%0.682SS**Hα-helixtrans-80.2-15.2-170.9-60.5-33.5000115.4K272K272-D274 VanDerWaalsContact C-N 3.35Å
275E43.4Very low37Very low154 Ų154126.4 Ų126.472%0.7268%0.678SS**Hα-helixtrans-84.5-23.1179.5-100.2174.5156.200113.6V273 S278V273-E275 PolarHBondContact O-N 2.79Å; E275-S278 PolarHBondContact O-OG 2.89Å
276I39.2Very low37.4Very low113 Ų113125 Ų12558%0.57967%0.668SS**Hα-helixtrans-82.7-30.8-174.5-63.1173.4000111.5S278 H279 I280I276-S278 PolarHBondContact O-N 3.1Å; I276-H279 PolarHBondContact O-N 2.87Å; I276-I280 HydrophobicContact CG2-CD1 3.96Å
277T41.8Very low37.5Very low76 Ų76127.5 Ų127.547%0.46668%0.678SS.*Hα-helixtrans-69.6-32.3-178.6-42.40000112.4H279 E281T277-H279 PolarHBondContact O-N 2.85Å; T277-E281 PolarHBondContact O-N 3.48Å
278S42.3Very low37.8Very low75 Ų75124.9 Ų124.952%0.52467%0.668SS.*Hα-helixtrans-74.2-25.3-179.878.50000114.2E275 I276E275-S278 PolarHBondContact O-OG 2.89Å; I276-S278 PolarHBondContact O-N 3.1Å
279H40Very low38.1Very low130 Ų130124.4 Ų124.460%0.60267%0.665SS**Hα-helixtrans-79.7-36.9179.5-115.834000112.1I276 T277 S282 E283I276-H279 PolarHBondContact O-N 2.87Å; T277-H279 PolarHBondContact O-N 2.85Å; H279-S282 PolarHBondContact O-N 3.07Å; H279-S282 PolarHBondContact O-OG 2.8Å; H279-E283 PolarHBondContact O-N 2.91Å
280I41.8Very low38.2Very low109 Ų109125 Ų12556%0.55966%0.663SS**Hα-helixtrans-69.9-34.1-179.7-63.4170.9000111.4I276 S282 A284I276-I280 HydrophobicContact CG2-CD1 3.96Å; I280-S282 VanDerWaalsContact C-N 3.3Å; I280-S282 PolarHBondContact O-N 2.89Å; I280-A284 PolarHBondContact O-N 3.45Å
281E41.7Very low38.5Very low118 Ų118122.3 Ų122.355%0.55166%0.659SS**Hα-helixtrans-73-20.8176.7-71.3-174.8173.200113.9T277T277-E281 PolarHBondContact O-N 3.48Å
282S43.4Very low38.3Very low69 Ų69122.1 Ų122.148%0.48366%0.659SS.*Hα-helixtrans-82.5-30.9178.178.90000112.7H279 I280H279-S282 PolarHBondContact O-N 3.07Å; H279-S282 PolarHBondContact O-OG 2.8Å; I280-S282 VanDerWaalsContact C-N 3.3Å; I280-S282 PolarHBondContact O-N 2.89Å
283E39.2Very low38.3Very low137 Ų137121.7 Ų121.764%0.6467%0.665SS**Hα-helixtrans-83.2-26.5178.7-70.2-174.9156.500112.6H279 K285 S286H279-E283 PolarHBondContact O-N 2.91Å; E283-K285 VanDerWaalsContact C-N 3.31Å; E283-K285 PolarHBondContact O-N 3.3Å; E283-S286 PolarHBondContact O-OG 3.43Å
284A38.8Very low38Very low69 Ų69122.3 Ų122.357%0.5767%0.674SS**THydrogen-bonded Turntrans-73-19.617500000113.9I280I280-A284 PolarHBondContact O-N 3.45Å
285K42Very low37.9Very low162 Ų162120.6 Ų120.670%0.70468%0.68SS**THydrogen-bonded Turntrans-89.3-13.3179.6-74.3173.7-177.9165.50114E283E283-K285 VanDerWaalsContact C-N 3.31Å; E283-K285 PolarHBondContact O-N 3.3Å
286S41.1Very low37.3Very low87 Ų87121 Ų12161%0.60869%0.687SS**SBendtrans-93.5-10.7179.666.80000113.8E283E283-S286 PolarHBondContact O-OG 3.43Å
287F32.7Very low37.1Very low191 Ų191124.5 Ų124.584%0.83870%0.7SS**SBendtrans-96.3-4.9-176.6-151.5-103.8000114.2
288T37.4Very low36.9Very low115 Ų115128.9 Ų128.971%0.70672%0.719SS**  trans-113.366.6-178.761.30000111.5
289S34.3Very low36.5Very low92 Ų92135.6 Ų135.664%0.64373%0.733SS**SBendtrans-139.27.4174.8610000115.3
290N35Very low36.4Very low152 Ų152135.2 Ų135.281%0.81374%0.736SS**SBendtrans-135.247.9-172.7-87.2-23.5000114.2
291V33.2Very low36.1Very low136 Ų136135.1 Ų135.182%0.82474%0.744SS**  trans-153.788161.7-169.50000109
292N30.7Very low36Very low156 Ų156135.8 Ų135.883%0.83476%0.762SS**  trans-164.591.5161.9-96.5-18.7000108.2
293D31.9Very low35.7Very low164 Ų164137.5 Ų137.588%0.87778%0.78SS**  trans-160.6133.3153.4-93.5-31.3000108.9
294S31.7Very low35.5Very low123 Ų123134.1 Ų134.186%0.8678%0.783SS**SBendtrans92.886.5175.5-430000116.9
295A33.8Very low35.3Very low105 Ų105138.1 Ų138.187%0.86880%0.8SS**  167.995.4123.900000110.2
296N32.2Very low34.9Very low163 Ų163135.5 Ų135.587%0.87280%0.802SS**  trans-140.7107.6166.5-14211.2000106.7
297E35.2Very low34.5Very low185 Ų185140.5 Ų140.586%0.86482%0.816SS**  trans176.8110151.2-105.1176.8-16700110
298I36.1Very low34.6Very low169 Ų169136.9 Ų136.987%0.86781%0.812SS**  170.1126116.9-80.5155.8000108
299R35.2Very low34.1Very low216 Ų216137.7 Ų137.782%0.81582%0.82SS**  trans-107.4158.9-170.3-132.7-177.9175.2178.4-2.8109.9
300D36.7Very low34.3Very low122 Ų122138.8 Ų138.865%0.65283%0.826SS**  trans92.2103.9146.3-62.8-30.4000121.8
301S36.2Very low34.1Very low106 Ų106137.6 Ų137.674%0.74183%0.829SS**  72.4117.1109.8-560000121.1
302S38.5Very low34.1Very low132 Ų132134.3 Ų134.392%0.92382%0.823SS**  -175160.9124.945.90000112.5
303A38.4Very low34.1Very low105 Ų105131.6 Ų131.687%0.86882%0.822SS**  trans-96.9174.6-142.500000116.2
304G33.6Very low34.4Very low67 Ų67130.4 Ų130.469%0.69182%0.82SS**  trans-72.5165.7-166.700000117
305T36Very low34.6Very low152 Ų152131.9 Ų131.993%0.93381%0.814SS**  -167.8148.3118.910.40000110.2
306S32.7Very low34.8Very low108 Ų108132.2 Ų132.276%0.75581%0.807SS**  trans-67.7142.1-17348.90000115.1
307E32.1Very low35.4Very low192 Ų192130 Ų13090%0.89779%0.791SS**  trans-158.1156.2143-98.8-156.9165.500111.5
308P35.2Very low35.6Very low115 Ų115126 Ų12675%0.74778%0.781SS**  trans-93.7162.9-145.836.3-35.6000116
309C27.7Very low36.1Very low131 Ų131123.7 Ų123.789%0.88576%0.762SS**  trans-49.8147.1-174.7-680000116.1
310P37.4Very low36.3Very low116 Ų116118.8 Ų118.875%0.75375%0.751SS**  trans-118.8129.3140.832.3-19.8000111G312P310-G312 PolarHBondContact O-N 2.94Å
311S32.2Very low36.6Very low127 Ų127118.1 Ų118.189%0.88875%0.748SS**  trans-19.1109161.254.10000114.5
312G32.7Very low36.8Very low67 Ų67116.7 Ų116.769%0.69173%0.729SS**  trans-142138.3179.900000109.8P310P310-G312 PolarHBondContact O-N 2.94Å
313A30.9Very low36.8Very low98 Ų98115.7 Ų115.781%0.8172%0.719SS**  trans-39.1131.6-173.500000114.4E315A313-E315 PolarHBondContact O-N 3.23Å
314V37.5Very low36.8Very low140 Ų140118.1 Ų118.185%0.84871%0.711SS**  trans-60102.9164.6179.40000106.9
315E36Very low36.7Very low154 Ų154118.6 Ų118.672%0.7270%0.697SS**  trans-55.3130.8163.8-75.1-103.2144.900107.3A313 E317A313-E315 PolarHBondContact O-N 3.23Å; E315-E317 PolarHBondContact O-N 2.88Å
316P39.3Very low36.8Very low111 Ų111116.4 Ų116.472%0.72167%0.674SS**  trans-61.6117.317525.1-30.2000108.2P318P316-P318 VanDerWaalsContact O-CD 3.24Å; P316-P318 WeakPolarHBondContact O-CD 3.36Å
317E43.3Very low36.8Very low116 Ų116116.4 Ų116.454%0.54267%0.672SS.*  trans-42108.9177.7-78.1-70.8146.600110.5E315 W319 L320E315-E317 PolarHBondContact O-N 2.88Å; E317-W319 PolarHBondContact O-N 2.82Å; E317-W319 PolarHBondContact OE2-NE1 2.97Å; E317-L320 HydrophobicContact CB-CD1 4.13Å; E317-L320 PolarHBondContact O-N 2.85Å
318P40.5Very low37.2Very low101 Ų101111.1 Ų111.166%0.65665%0.654SS**THydrogen-bonded Turntrans-58.8-16.5-171.4-27.134.3000114.4P316P316-P318 VanDerWaalsContact O-CD 3.24Å; P316-P318 WeakPolarHBondContact O-CD 3.36Å
319W45.2Very low37.8Very low122 Ų122109.6 Ų109.646%0.46265%0.652SS.*THydrogen-bonded Turntrans-82.4-14.4177.376.4-92.7000113.7E317 D321 Q322 L325E317-W319 PolarHBondContact O-N 2.82Å; E317-W319 PolarHBondContact OE2-NE1 2.97Å; W319-D321 PolarHBondContact O-N 3.24Å; W319-Q322 WeakPolarHBondContact O-CG 3.38Å; W319-L325 HydrophobicContact CE3-CD1 3.75Å; W319-L325 HydrophobicContact CZ3-CD1 3.75Å; W319-L325 VanDerWaalsContact O-CD1 3.23Å; W319-L325 WeakPolarHBondContact O-CD1 3.41Å
320L40Very low38.9Very low112 Ų112112.2 Ų112.259%0.58664%0.643SS**THydrogen-bonded Turntrans-70.9-19173-107.587.5000112.7E317 Q322E317-L320 HydrophobicContact CB-CD1 4.13Å; E317-L320 PolarHBondContact O-N 2.85Å; L320-Q322 VanDerWaalsContact C-N 3.27Å; L320-Q322 PolarHBondContact O-N 3.47Å
321D42.4Very low40.1Very low109 Ų109111.7 Ų111.758%0.58363%0.626SS**THydrogen-bonded Turntrans-90.912.8-176.5-146.930.9000113.3W319 K326W319-D321 PolarHBondContact O-N 3.24Å; D321-K326 VanDerWaalsContact CG-NZ 3.27Å; D321-K326 WeakPolarHBondContact OD1-CE 3.31Å; D321-K326 IonicContact OD1-NZ 3.69Å; D321-K326 PolarHBondContact OD1-NZ 3.03Å; D321-K326 IonicContact OD2-NZ 3.45Å; D321-K326 PolarHBondContact OD2-NZ 2.99Å
322Q42.1Very low41.9Very low76 Ų76114.2 Ų114.236%0.35562%0.616SS.*  trans-63.2137-178.9-65.8-75.8-24.600111W319 L320 F324 L325 K326W319-Q322 WeakPolarHBondContact O-CG 3.38Å; L320-Q322 VanDerWaalsContact C-N 3.27Å; L320-Q322 PolarHBondContact O-N 3.47Å; Q322-F324 HydrophobicContact CB-CD1 3.85Å; Q322-F324 HydrophobicContact CB-CD2 4.35Å; Q322-F324 HydrophobicContact CB-CE1 3.41Å; Q322-F324 VanDerWaalsContact CB-CE1 3.41Å; Q322-F324 HydrophobicContact CB-CE2 3.95Å; Q322-F324 HydrophobicContact CB-CG 4.3Å; Q322-F324 HydrophobicContact CB-CZ 3.45Å; Q322-F324 VanDerWaalsContact CB-CZ 3.45Å; Q322-F324 HydrophobicContact CG-CE1 3.81Å; Q322-F324 HydrophobicContact CG-CE2 4.44Å; Q322-F324 HydrophobicContact CG-CZ 3.65Å; Q322-F324 PolarHBondContact O-N 3.46Å; Q322-L325 HydrophobicContact CB-CB 4.44Å; Q322-L325 HydrophobicContact CB-CD1 4.04Å; Q322-L325 HydrophobicContact CB-CG 4.15Å; Q322-L325 HydrophobicContact CG-CD1 4.39Å; Q322-L325 PolarHBondContact O-N 3.42Å; Q322-K326 PolarHBondContact O-N 3.29Å
323P37Very low44.1Very low110 Ų110114.9 Ų114.971%0.71460%0.598SS**THydrogen-bonded Turntrans-54.2-30.7-176.8-26.132.9000114.2
324F38.1Very low46.5Very low157 Ų157113.5 Ų113.569%0.68957%0.574SS**THydrogen-bonded Turntrans-81.4-15.5178.958.4-97.5000114.2Q322Q322-F324 HydrophobicContact CB-CD1 3.85Å; Q322-F324 HydrophobicContact CB-CD2 4.35Å; Q322-F324 HydrophobicContact CB-CE1 3.41Å; Q322-F324 VanDerWaalsContact CB-CE1 3.41Å; Q322-F324 HydrophobicContact CB-CE2 3.95Å; Q322-F324 HydrophobicContact CB-CG 4.3Å; Q322-F324 HydrophobicContact CB-CZ 3.45Å; Q322-F324 VanDerWaalsContact CB-CZ 3.45Å; Q322-F324 HydrophobicContact CG-CE1 3.81Å; Q322-F324 HydrophobicContact CG-CE2 4.44Å; Q322-F324 HydrophobicContact CG-CZ 3.65Å; Q322-F324 PolarHBondContact O-N 3.46Å
325L32.4Very low49Very low76 Ų76109.9 Ų109.940%0.39855%0.552SS.*THydrogen-bonded Turntrans-93-18.5175.6-66.3176.1000112.8W319 Q322 P327W319-L325 HydrophobicContact CE3-CD1 3.75Å; W319-L325 HydrophobicContact CZ3-CD1 3.75Å; W319-L325 VanDerWaalsContact O-CD1 3.23Å; W319-L325 WeakPolarHBondContact O-CD1 3.41Å; Q322-L325 HydrophobicContact CB-CB 4.44Å; Q322-L325 HydrophobicContact CB-CD1 4.04Å; Q322-L325 HydrophobicContact CB-CG 4.15Å; Q322-L325 HydrophobicContact CG-CD1 4.39Å; Q322-L325 PolarHBondContact O-N 3.42Å; L325-P327 VanDerWaalsContact O-CD 3.32Å; L325-P327 WeakPolarHBondContact O-CD 3.48Å
326K37.8Very low51.5Low106 Ų106107.8 Ų107.846%0.46154%0.538SS..SBendtrans-72.6114.6167.6-79173.5177.4151.40107.7D321 Q322D321-K326 VanDerWaalsContact CG-NZ 3.27Å; D321-K326 WeakPolarHBondContact OD1-CE 3.31Å; D321-K326 IonicContact OD1-NZ 3.69Å; D321-K326 PolarHBondContact OD1-NZ 3.03Å; D321-K326 IonicContact OD2-NZ 3.45Å; D321-K326 PolarHBondContact OD2-NZ 2.99Å; Q322-K326 PolarHBondContact O-N 3.29Å
327P33.3Very low54Low109 Ų109102.5 Ų102.571%0.70850%0.503SS*.  trans-56.1132174.221.9-29.7000107.3L325 A329L325-P327 VanDerWaalsContact O-CD 3.32Å; L325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-A329 PolarHBondContact O-N 2.98Å
328P41.1Very low56.1Low81 Ų81100.3 Ų100.353%0.52650%0.495SS..  trans-52.5145.9178.713.9-23.3000108.3R330P328-R330 HydrophobicContact CB-CG 4.23Å; P328-R330 HydrophobicContact CG-CG 3.84Å; P328-R330 WeakPolarHBondContact O-CG 3.47Å; P328-R330 PolarHBondContact O-N 3.11Å
329A46.5Very low58.5Low83 Ų8398.4 Ų98.469%0.68648%0.482SS*.  trans-61.782.817000000107.1P327 R331P327-A329 PolarHBondContact O-N 2.98Å; A329-R331 PolarHBondContact O-N 3.19Å
330R51.6Low60.6Low186 Ų18694 Ų9470%0.70247%0.466SS*.  trans-75.4104.3-165.9-78.5-174.8-174.3-107.80.8107P328 R332P328-R330 HydrophobicContact CB-CG 4.23Å; P328-R330 HydrophobicContact CG-CG 3.84Å; P328-R330 WeakPolarHBondContact O-CG 3.47Å; P328-R330 PolarHBondContact O-N 3.11Å; R330-R332 PolarHBondContact O-N 3.4Å
331R62Low63.1Low105 Ų10593.6 Ų93.640%0.39646%0.464SS..PPolyproline II helixtrans-56.6118.4153.5-60.4-166.3178.2-149.7-6.2106.8E125 E128 A329 W333E125-R331 HydrophobicContact CG-CB 4.11Å; E125-R331 WeakPolarHBondContact OE1-CD 3.44Å; E125-R331 IonicContact OE1-NE 3.79Å; E125-R331 IonicContact OE1-NH1 2.68Å; E125-R331 PolarHBondContact OE1-NH1 3.12Å; E128-R331 HydrophobicContact CG-CG 3.68Å; E128-R331 IonicContact OE1-CZ 2.72Å; E128-R331 VanDerWaalsContact OE1-CZ 3.25Å; E128-R331 IonicContact OE1-NE 3.88Å; E128-R331 PolarHBondContact OE1-NE 3.19Å; E128-R331 IonicContact OE1-NH2 3.6Å; E128-R331 PolarHBondContact OE1-NH2 2.76Å; A329-R331 PolarHBondContact O-N 3.19Å; R331-W333 VanDerWaalsContact O-CD1 3.28Å
332R69.3Low65.5Low180 Ų18091.1 Ų91.168%0.67945%0.451SS*.PPolyproline II helixtrans-86.2119.6-178.8172-178.7-90.1-134.1-1.6107.7E125 D126 R330E125-R332 WeakPolarHBondContact CA-O 3.03Å; D126-R332 HydrophobicContact CB-CB 4.25Å; D126-R332 PolarHBondContact N-O 3.34Å; D126-R332 WeakPolarHBondContact OD2-CB 3.37Å; D126-R332 WeakPolarHBondContact OD2-CD 3.49Å; R330-R332 PolarHBondContact O-N 3.4Å
333W78.8Confident68Low81 Ų8187.5 Ų87.531%0.30743%0.434SS..EExtended strand (participates in β ladder)trans-99.4139.4172.9-62.271.5000109.2W115 F117 A124 E125 R331W115-W333 HydrophobicContact CB-CZ3 4.12Å; W115-W333 AromaticContact CD1-CE3 4Å; W115-W333 AromaticContact CD1-CH2 3.54Å; W115-W333 AromaticContact CD1-CZ3 3.12Å; W115-W333 AromaticContact CD2-CH2 3.96Å; W115-W333 HydrophobicContact CD2-CH2 3.96Å; W115-W333 AromaticContact CD2-CZ3 3.97Å; W115-W333 HydrophobicContact CD2-CZ3 3.97Å; W115-W333 AromaticContact CE2-CH2 3.5Å; W115-W333 VanDerWaalsContact CE2-CH2 3.5Å; W115-W333 AromaticContact CE2-CZ3 3.9Å; W115-W333 AromaticContact CG-CH2 3.98Å; W115-W333 HydrophobicContact CG-CH2 3.98Å; W115-W333 AromaticContact CG-CZ3 3.5Å; W115-W333 HydrophobicContact CG-CZ3 3.5Å; W115-W333 HydrophobicContact CZ2-CH2 4.06Å; W115-W333 AromaticContact NE1-CH2 3.17Å; W115-W333 AromaticContact NE1-CZ3 3.33Å; W115-W333 VanDerWaalsContact NE1-CZ3 3.33Å; F117-W333 HydrophobicContact CE2-CZ3 4.32Å; F117-W333 HydrophobicContact CZ-CZ3 4.38Å; A124-W333 CarbonylContact O-C 3.53Å; A124-W333 VanDerWaalsContact O-CA 3.31Å; A124-W333 WeakPolarHBondContact O-CA 3.36Å; E125-W333 HydrophobicContact CB-CD2 3.86Å; E125-W333 HydrophobicContact CB-CE3 3.97Å; E125-W333 HydrophobicContact CB-CG 4.46Å; E125-W333 HydrophobicContact CB-CH2 4.28Å; E125-W333 HydrophobicContact CB-CZ2 4.16Å; E125-W333 HydrophobicContact CB-CZ3 4.2Å; E125-W333 VanDerWaalsContact CD-CE2 3.44Å; E125-W333 HydrophobicContact CG-CD2 3.93Å; E125-W333 HydrophobicContact CG-CE3 4.45Å; E125-W333 HydrophobicContact CG-CG 4.4Å; E125-W333 HydrophobicContact CG-CH2 4.31Å; E125-W333 HydrophobicContact CG-CZ2 3.74Å; E125-W333 WeakPolarHBondContact OE1-CZ2 3.41Å; E125-W333 WeakPolarHBondContact OE2-CH2 3.29Å; E125-W333 WeakPolarHBondContact OE2-CZ2 3.31Å; R331-W333 VanDerWaalsContact O-CD1 3.28Å
334H83.1Confident70.7Confident69 Ų6985.9 Ų85.932%0.31942%0.416SS..EExtended strand (participates in β ladder)trans-149153.6176.558.8-83.7000110.8Y123 A124 D126 R336Y123-H334 WeakPolarHBondContact CA-O 3.42Å; A124-H334 PolarHBondContact N-O 3.04Å; A124-H334 PolarHBondContact O-N 2.86Å; D126-H334 IonicContact OD1-CE1 3.25Å; D126-H334 PolarHBondContact OD1-CE1 3.32Å; D126-H334 IonicContact OD2-CE1 3.72Å; D126-H334 IonicContact OD2-ND1 2.77Å; H334-R336 PolarHBondContact O-N 3.14Å
335V88.1Confident73.3Confident63 Ų6383.1 Ų83.138%0.38241%0.408SS..EExtended strand (participates in β ladder)trans-71120.5173.6-179.10000107.8Y123 C337 D338Y123-V335 HydrophobicContact CD1-CG2 3.95Å; Y123-V335 HydrophobicContact CE1-CG2 3.49Å; Y123-V335 VanDerWaalsContact CE1-CG2 3.49Å; V335-C337 WeakPolarHBondContact CG1-O 3.49Å; V335-D338 HydrophobicContact CG1-CB 3.91Å
336R89.6Confident76.2Confident111 Ų11179.6 Ų79.642%0.41939%0.39SS..EExtended strand (participates in β ladder)trans-86.4-40.4175.4-174.568.3-178.5119.1-1.6111.8Y114 L122 A124 H334 L346Y114-R336 HydrophobicContact CD1-CB 4.48Å; Y114-R336 HydrophobicContact CD1-CG 4.41Å; Y114-R336 HydrophobicContact CE1-CB 4.29Å; Y114-R336 HydrophobicContact CE1-CG 3.82Å; L122-R336 PolarHBondContact O-N 3.29Å; A124-R336 HydrophobicContact CB-CB 3.9Å; H334-R336 PolarHBondContact O-N 3.14Å; R336-L346 HydrophobicContact CG-CD1 4.44Å; R336-L346 HydrophobicContact CG-CD2 4.22Å
337C90.6Very high78.9Confident0 Ų074.7 Ų74.70%037%0.369CS..EExtended strand (participates in β ladder)trans-132.1123.2179.9-51.60000109.7R121 L122 V335 D342 W343R121-C337 WeakPolarHBondContact CA-O 3.35Å; L122-C337 HydrophobicContact CB-CB 3.8Å; L122-C337 PolarHBondContact N-O 2.86Å; L122-C337 PolarHBondContact O-N 3.33Å; V335-C337 WeakPolarHBondContact CG1-O 3.49Å; C337-D342 HydrophobicContact CB-CB 3.72Å; C337-D342 PolarHBondContact SG-O 3.36Å; C337-W343 HydrophobicContact CB-CD2 4.08Å; C337-W343 HydrophobicContact CB-CG 3.84Å
338D88.4Confident81.7Confident70 Ų7073.8 Ų73.837%0.37436%0.358SS..SBendtrans-124.4-13.5173.6-158.618000112.2R121 V335 D342 Y377R121-D338 VanDerWaalsContact CG-OD1 3.26Å; R121-D338 WeakPolarHBondContact CG-OD1 3.45Å; R121-D338 IonicContact CZ-OD1 3.84Å; R121-D338 IonicContact NE-OD1 3.75Å; R121-D338 PolarHBondContact NE-OD1 2.88Å; R121-D338 IonicContact NE-OD2 2.84Å; R121-D338 IonicContact NH2-OD1 2.81Å; R121-D338 IonicContact NH2-OD2 3.28Å; V335-D338 HydrophobicContact CG1-CB 3.91Å; D338-D342 PolarHBondContact N-OD2 3.37Å; D338-D342 VanDerWaalsContact N-OD2 3.07Å; D338-Y377 VanDerWaalsContact C-OH 3.24Å; D338-Y377 PolarHBondContact O-OH 2.79Å
339T90.3Very high84.2Confident60 Ų6073.6 Ų73.637%0.36836%0.359SS..SBendtrans-120.1158174.468.80000110.8D341 D342 W343 Y377T339-D341 PolarHBondContact O-N 2.67Å; T339-D342 PolarHBondContact N-OD2 3.46Å; T339-D342 WeakPolarHBondContact O-CB 3.5Å; T339-D342 PolarHBondContact O-N 3.25Å; T339-D342 PolarHBondContact OG1-N 3.09Å; T339-D342 PolarHBondContact OG1-OD1 3.09Å; T339-D342 PolarHBondContact OG1-OD2 3.31Å; T339-W343 VanDerWaalsContact O-CD1 3.3Å; T339-W343 PolarHBondContact O-N 3.02Å; T339-Y377 VanDerWaalsContact CA-OH 3.31Å; T339-Y377 WeakPolarHBondContact CA-OH 3.42Å
340F90.8Very high86.3Confident30 Ų3069.9 Ų69.913%0.13233%0.327CS..Hα-helixtrans-58.5-35.8175.4-176.4-130000112.7D342 W343 K344 L370 I373 E374 Y377F340-D342 VanDerWaalsContact C-N 3.33Å; F340-D342 PolarHBondContact O-N 2.89Å; F340-W343 WeakPolarHBondContact O-CB 3.41Å; F340-W343 PolarHBondContact O-N 3.37Å; F340-K344 HydrophobicContact CD1-CD 4.39Å; F340-K344 HydrophobicContact CE1-CD 4.03Å; F340-K344 HydrophobicContact CZ-CD 4.22Å; F340-K344 HydrophobicContact CZ-CG 4.41Å; F340-K344 PolarHBondContact O-N 3.25Å; F340-L370 HydrophobicContact CD2-CD1 4.42Å; F340-L370 HydrophobicContact CE2-CD1 3.8Å; F340-L370 HydrophobicContact CE2-CG 4.2Å; F340-I373 HydrophobicContact CD2-CG2 4.15Å; F340-E374 HydrophobicContact CD2-CB 4.42Å; F340-E374 HydrophobicContact CE1-CB 4.3Å; F340-E374 HydrophobicContact CE1-CG 3.83Å; F340-E374 VanDerWaalsContact CE1-OE1 3.28Å; F340-E374 WeakPolarHBondContact CE1-OE1 3.12Å; F340-E374 HydrophobicContact CE2-CB 3.55Å; F340-E374 HydrophobicContact CE2-CG 4.02Å; F340-E374 HydrophobicContact CZ-CB 3.47Å; F340-E374 VanDerWaalsContact CZ-CB 3.47Å; F340-E374 HydrophobicContact CZ-CG 3.42Å; F340-E374 VanDerWaalsContact CZ-CG 3.42Å; F340-E374 VanDerWaalsContact CZ-OE1 3.25Å; F340-E374 WeakPolarHBondContact CZ-OE1 3.22Å; F340-Y377 HydrophobicContact CB-CD2 3.7Å; F340-Y377 HydrophobicContact CB-CE2 3.88Å; F340-Y377 HydrophobicContact CB-CG 4.14Å; F340-Y377 HydrophobicContact CD2-CD2 4.33Å; F340-Y377 HydrophobicContact CG-CD2 4.32Å
341D92.2Very high88.2Confident104 Ų10467.3 Ų67.356%0.55632%0.321SS*.Hα-helixtrans-64.9-35.9175.7-64.9-55.8000111.9T339 W343 K344 N345T339-D341 PolarHBondContact O-N 2.67Å; D341-W343 VanDerWaalsContact C-N 3.32Å; D341-W343 PolarHBondContact O-N 2.86Å; D341-K344 PolarHBondContact O-N 3.33Å; D341-N345 WeakPolarHBondContact O-CB 3.46Å; D341-N345 PolarHBondContact O-N 2.91Å; D341-N345 PolarHBondContact O-ND2 3.2Å
342D93.3Very high89.5Confident56 Ų5666 Ų6630%0.29934%0.34SS..Hα-helixtrans-63.7-39175.2-57.7-39.1000112C337 D338 T339 F340 L346C337-D342 HydrophobicContact CB-CB 3.72Å; C337-D342 PolarHBondContact SG-O 3.36Å; D338-D342 PolarHBondContact N-OD2 3.37Å; D338-D342 VanDerWaalsContact N-OD2 3.07Å; T339-D342 PolarHBondContact N-OD2 3.46Å; T339-D342 WeakPolarHBondContact O-CB 3.5Å; T339-D342 PolarHBondContact O-N 3.25Å; T339-D342 PolarHBondContact OG1-N 3.09Å; T339-D342 PolarHBondContact OG1-OD1 3.09Å; T339-D342 PolarHBondContact OG1-OD2 3.31Å; F340-D342 VanDerWaalsContact C-N 3.33Å; F340-D342 PolarHBondContact O-N 2.89Å; D342-L346 WeakPolarHBondContact O-CB 3.38Å; D342-L346 PolarHBondContact O-N 3.33Å
343W93.1Very high90.5Very high1 Ų158.3 Ų58.30%0.00431%0.314CS..Hα-helixtrans-63.5-47.2174.4-76.990.2000110.9Y116 T120 L122 C337 T339 F340 D341 N345 L346 V347 L365 F369 L370 I373Y116-W343 HydrophobicContact CD2-CH2 4.17Å; Y116-W343 HydrophobicContact CE2-CH2 4.49Å; T120-W343 PolarHBondContact O-NE1 3.3Å; L122-W343 HydrophobicContact CB-CH2 3.86Å; L122-W343 HydrophobicContact CB-CZ2 3.65Å; L122-W343 HydrophobicContact CB-CZ3 4.45Å; L122-W343 HydrophobicContact CD1-CH2 4.01Å; L122-W343 HydrophobicContact CD1-CZ3 4.44Å; L122-W343 HydrophobicContact CD2-CZ3 4.39Å; L122-W343 HydrophobicContact CG-CH2 4.35Å; C337-W343 HydrophobicContact CB-CD2 4.08Å; C337-W343 HydrophobicContact CB-CG 3.84Å; T339-W343 VanDerWaalsContact O-CD1 3.3Å; T339-W343 PolarHBondContact O-N 3.02Å; F340-W343 WeakPolarHBondContact O-CB 3.41Å; F340-W343 PolarHBondContact O-N 3.37Å; D341-W343 VanDerWaalsContact C-N 3.32Å; D341-W343 PolarHBondContact O-N 2.86Å; W343-N345 PolarHBondContact O-N 3.47Å; W343-L346 PolarHBondContact O-N 2.95Å; W343-V347 VanDerWaalsContact O-CG2 3.31Å; W343-V347 WeakPolarHBondContact O-CG2 3.39Å; W343-V347 PolarHBondContact O-N 2.77Å; W343-L365 HydrophobicContact CE3-CD2 4.28Å; W343-L365 HydrophobicContact CZ3-CD2 3.68Å; W343-F369 HydrophobicContact CH2-CD1 4.17Å; W343-F369 HydrophobicContact CZ3-CB 3.89Å; W343-F369 HydrophobicContact CZ3-CD1 4.26Å; W343-F369 HydrophobicContact CZ3-CG 4.29Å; W343-L370 HydrophobicContact CB-CD1 3.83Å; W343-I373 HydrophobicContact CD2-CG1 4.39Å; W343-I373 HydrophobicContact CD2-CG2 4.5Å; W343-I373 HydrophobicContact CG-CG2 4.28Å; W343-I373 HydrophobicContact CH2-CG1 4.4Å; W343-I373 HydrophobicContact CZ2-CD1 4.28Å; W343-I373 HydrophobicContact CZ2-CG1 4.23Å
344K93.5Very high91Very high75 Ų7558.8 Ų58.833%0.32634%0.335SS..Hα-helixtrans-57.8-48.9175.2-77.3-177168.7166.90111.7F340 D341 L346 V347 D348 L370 E374F340-K344 HydrophobicContact CD1-CD 4.39Å; F340-K344 HydrophobicContact CE1-CD 4.03Å; F340-K344 HydrophobicContact CZ-CD 4.22Å; F340-K344 HydrophobicContact CZ-CG 4.41Å; F340-K344 PolarHBondContact O-N 3.25Å; D341-K344 PolarHBondContact O-N 3.33Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 2.99Å; K344-V347 PolarHBondContact O-N 2.79Å; K344-D348 WeakPolarHBondContact O-CB 3.39Å; K344-D348 PolarHBondContact O-N 2.96Å; K344-L370 HydrophobicContact CG-CD1 4.11Å; K344-L370 HydrophobicContact CG-CD2 4.47Å; K344-E374 IonicContact NZ-OE1 3.91Å
345N93.8Very high91.3Very high100 Ų10058.1 Ų58.154%0.53534%0.336SS..Hα-helixtrans-60.9-39.9179.4-71-34.8000112.5D341 W343 S349D341-N345 WeakPolarHBondContact O-CB 3.46Å; D341-N345 PolarHBondContact O-N 2.91Å; D341-N345 PolarHBondContact O-ND2 3.2Å; W343-N345 PolarHBondContact O-N 3.47Å; N345-S349 WeakPolarHBondContact O-CB 3.3Å; N345-S349 PolarHBondContact O-N 2.98Å
346L92.8Very high91.2Very high2 Ų258 Ų581%0.0134%0.338CS..Hα-helixtrans-64.6-48.8175.7178.864.8000111Y114 L122 R336 D342 W343 K344 D348 S349 L350 L365Y114-L346 HydrophobicContact CE1-CD1 4.39Å; Y114-L346 HydrophobicContact CE1-CD2 4.39Å; L122-L346 HydrophobicContact CD2-CD2 3.21Å; R336-L346 HydrophobicContact CG-CD1 4.44Å; R336-L346 HydrophobicContact CG-CD2 4.22Å; D342-L346 WeakPolarHBondContact O-CB 3.38Å; D342-L346 PolarHBondContact O-N 3.33Å; W343-L346 PolarHBondContact O-N 2.95Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 2.99Å; L346-D348 VanDerWaalsContact C-N 3.34Å; L346-D348 PolarHBondContact O-N 3.46Å; L346-S349 PolarHBondContact O-N 3.43Å; L346-S349 VanDerWaalsContact O-N 3.14Å; L346-S349 PolarHBondContact O-OG 3.32Å; L346-L350 HydrophobicContact CD1-CD1 4.38Å; L346-L350 HydrophobicContact CG-CD1 4.28Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 2.98Å; L346-L365 HydrophobicContact CD2-CD1 3.98Å; L346-L365 HydrophobicContact CG-CD1 4.36Å
347V93.8Very high91.2Very high2 Ų257.7 Ų57.71%0.01234%0.339CS..Hα-helixtrans-60.1-44.9178.8172.70000110.9W343 K344 S349 L350 K351 Y362 L365 Q366W343-V347 VanDerWaalsContact O-CG2 3.31Å; W343-V347 WeakPolarHBondContact O-CG2 3.39Å; W343-V347 PolarHBondContact O-N 2.77Å; K344-V347 PolarHBondContact O-N 2.79Å; V347-S349 VanDerWaalsContact C-N 3.3Å; V347-S349 PolarHBondContact O-N 2.89Å; V347-L350 PolarHBondContact O-N 2.96Å; V347-K351 PolarHBondContact O-N 3.12Å; V347-K351 VanDerWaalsContact O-N 3.15Å; V347-Y362 HydrophobicContact CG1-CD2 3.84Å; V347-Y362 HydrophobicContact CG1-CE2 3.55Å; V347-Y362 VanDerWaalsContact O-CD2 3.27Å; V347-Y362 WeakPolarHBondContact O-CD2 3.43Å; V347-Y362 WeakPolarHBondContact O-CE2 3.39Å; V347-L365 HydrophobicContact CG2-CB 3.67Å; V347-L365 HydrophobicContact CG2-CD1 4.4Å; V347-Q366 HydrophobicContact CG1-CB 4.04Å
348D93.7Very high91.2Very high91 Ų9158.1 Ų58.149%0.48734%0.341SS..Hα-helixtrans-63-35.4176-76.4-28.4000112.4K344 L346 L350 K351K344-D348 WeakPolarHBondContact O-CB 3.39Å; K344-D348 PolarHBondContact O-N 2.96Å; L346-D348 VanDerWaalsContact C-N 3.34Å; L346-D348 PolarHBondContact O-N 3.46Å; D348-L350 VanDerWaalsContact C-N 3.28Å; D348-L350 PolarHBondContact O-N 3.48Å; D348-K351 VanDerWaalsContact O-CB 3.27Å; D348-K351 WeakPolarHBondContact O-CB 3.36Å; D348-K351 PolarHBondContact O-N 3.37Å
349S92.4Very high91.3Very high77 Ų7761.1 Ų61.154%0.53835%0.348SS..Hα-helixtrans-68.1-26.6177.177.40000113.9N345 L346 V347N345-S349 WeakPolarHBondContact O-CB 3.3Å; N345-S349 PolarHBondContact O-N 2.98Å; L346-S349 PolarHBondContact O-N 3.43Å; L346-S349 VanDerWaalsContact O-N 3.14Å; L346-S349 PolarHBondContact O-OG 3.32Å; V347-S349 VanDerWaalsContact C-N 3.3Å; V347-S349 PolarHBondContact O-N 2.89Å
350L91.9Very high91.3Very high5 Ų566.6 Ų66.63%0.02636%0.362CS..Hα-helixtrans-88.8-15.3178.2-62.8170.4000112.4L346 V347 D348 G352 S353 E358 L361 Y362 L365L346-L350 HydrophobicContact CD1-CD1 4.38Å; L346-L350 HydrophobicContact CG-CD1 4.28Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 2.98Å; V347-L350 PolarHBondContact O-N 2.96Å; D348-L350 VanDerWaalsContact C-N 3.28Å; D348-L350 PolarHBondContact O-N 3.48Å; L350-G352 PolarHBondContact O-N 3.47Å; L350-S353 WeakPolarHBondContact O-CB 3.26Å; L350-S353 PolarHBondContact O-N 3.38Å; L350-S353 VanDerWaalsContact O-N 3.16Å; L350-E358 HydrophobicContact CD2-CB 3.99Å; L350-E358 HydrophobicContact CD2-CG 3.83Å; L350-L361 HydrophobicContact CD1-CB 4.4Å; L350-L361 HydrophobicContact CD1-CD2 3.67Å; L350-L361 HydrophobicContact CD1-CG 3.81Å; L350-L361 HydrophobicContact CD2-CD2 4.38Å; L350-Y362 HydrophobicContact CB-CD2 4.22Å; L350-L365 HydrophobicContact CD1-CD1 3.91Å
351K91.5Very high91.4Very high131 Ų13165.3 Ų65.357%0.5736%0.356SS*.THydrogen-bonded Turntrans-60.5122.6-176.4-168.8175.9-175.3174.20110.9V347 D348 S353 Y362V347-K351 PolarHBondContact O-N 3.12Å; V347-K351 VanDerWaalsContact O-N 3.15Å; D348-K351 VanDerWaalsContact O-CB 3.27Å; D348-K351 WeakPolarHBondContact O-CB 3.36Å; D348-K351 PolarHBondContact O-N 3.37Å; K351-S353 VanDerWaalsContact C-N 3.34Å; K351-Y362 HydrophobicContact CB-CD2 4.23Å; K351-Y362 HydrophobicContact CB-CE2 3.77Å; K351-Y362 HydrophobicContact CG-CE2 3.94Å
352G89.4Confident91.4Very high77 Ų7762.4 Ų62.479%0.79434%0.337SS*.THydrogen-bonded Turntrans76.614.6178.600000115.1L350L350-G352 PolarHBondContact O-N 3.47Å
353S89.8Confident91.3Very high20 Ų2063.7 Ų63.714%0.1434%0.344CS..  trans-59.4140.1175.2179.20000112.6L350 K351 V355 E358 R359L350-S353 WeakPolarHBondContact O-CB 3.26Å; L350-S353 PolarHBondContact O-N 3.38Å; L350-S353 VanDerWaalsContact O-N 3.16Å; K351-S353 VanDerWaalsContact C-N 3.34Å; S353-V355 VanDerWaalsContact C-N 3.28Å; S353-V355 PolarHBondContact OG-N 3.49Å; S353-V355 VanDerWaalsContact OG-N 3.07Å; S353-E358 WeakPolarHBondContact CB-OE2 3.16Å; S353-E358 WeakPolarHBondContact OG-CB 2.86Å; S353-E358 PolarHBondContact OG-OE2 3.11Å; S353-R359 VanDerWaalsContact O-CD 3.28Å; S353-R359 WeakPolarHBondContact O-CD 3.28Å; S353-R359 WeakPolarHBondContact O-CG 3.31Å
354A88.4Confident91.2Very high91 Ų9166.5 Ų66.575%0.75236%0.359SS*.SBendtrans-72.2-22.1171.900000112.6
355V89.1Confident91.1Very high55 Ų5563 Ų6333%0.33334%0.344SS..SBendtrans-78.3126.6-173.9-178.10000110.1R109 S353 K357 E358 R359R109-V355 HydrophobicContact CB-CG2 4.03Å; S353-V355 VanDerWaalsContact C-N 3.28Å; S353-V355 PolarHBondContact OG-N 3.49Å; S353-V355 VanDerWaalsContact OG-N 3.07Å; V355-K357 HydrophobicContact CG1-CB 4.19Å; V355-K357 PolarHBondContact O-N 2.98Å; V355-E358 HydrophobicContact CB-CB 4.24Å; V355-E358 HydrophobicContact CB-CG 4.27Å; V355-E358 HydrophobicContact CG1-CG 4.49Å; V355-E358 PolarHBondContact O-N 3.35Å; V355-R359 PolarHBondContact O-N 2.83Å
356S87.7Confident91Very high59 Ų5961.1 Ų61.141%0.41333%0.332SS..Hα-helixtrans-63.4-26.5-177.361.20000114.2R360S356-R360 PolarHBondContact O-N 2.99Å; S356-R360 PolarHBondContact O-NE 3.37Å
357K88.4Confident90.8Very high105 Ų10566.2 Ų66.246%0.45736%0.359SS..Hα-helixtrans-71.6-48175.6-67-174.9175.1-175.10110.7E107 V355 R359 R360 L361E107-K357 HydrophobicContact CB-CD 4.4Å; E107-K357 IonicContact OE2-NZ 2.81Å; E107-K357 PolarHBondContact OE2-NZ 3.42Å; V355-K357 HydrophobicContact CG1-CB 4.19Å; V355-K357 PolarHBondContact O-N 2.98Å; K357-R359 PolarHBondContact O-N 2.77Å; K357-R360 PolarHBondContact O-N 2.84Å; K357-L361 PolarHBondContact O-N 2.93Å
358E91.5Very high90.3Very high9 Ų969.5 Ų69.54%0.04238%0.382CS..Hα-helixtrans-64.3-37.4177.5-72-174.3162.600112.7D108 R109 L350 S353 V355 L361 Y362D108-E358 HydrophobicContact CB-CG 4.31Å; R109-E358 VanDerWaalsContact CB-OE1 3.25Å; R109-E358 WeakPolarHBondContact CB-OE1 3.5Å; R109-E358 WeakPolarHBondContact CD-OE1 3.4Å; R109-E358 WeakPolarHBondContact CG-OE1 3.36Å; R109-E358 PolarHBondContact N-OE1 3.41Å; L350-E358 HydrophobicContact CD2-CB 3.99Å; L350-E358 HydrophobicContact CD2-CG 3.83Å; S353-E358 WeakPolarHBondContact CB-OE2 3.16Å; S353-E358 WeakPolarHBondContact OG-CB 2.86Å; S353-E358 PolarHBondContact OG-OE2 3.11Å; V355-E358 HydrophobicContact CB-CB 4.24Å; V355-E358 HydrophobicContact CB-CG 4.27Å; V355-E358 HydrophobicContact CG1-CG 4.49Å; V355-E358 PolarHBondContact O-N 3.35Å; E358-L361 PolarHBondContact O-N 3.38Å; E358-Y362 WeakPolarHBondContact O-CB 3.45Å; E358-Y362 PolarHBondContact O-N 2.81Å
359R90.6Very high90Very high134 Ų13466.6 Ų66.651%0.50637%0.365SS..Hα-helixtrans-60.9-44.7174-74.6-172.4-77.3171.3-5.4112.8S353 V355 K357 L361 Y362 D363S353-R359 VanDerWaalsContact O-CD 3.28Å; S353-R359 WeakPolarHBondContact O-CD 3.28Å; S353-R359 WeakPolarHBondContact O-CG 3.31Å; V355-R359 PolarHBondContact O-N 2.83Å; K357-R359 PolarHBondContact O-N 2.77Å; R359-L361 VanDerWaalsContact C-N 3.34Å; R359-L361 PolarHBondContact O-N 2.98Å; R359-Y362 WeakPolarHBondContact O-CB 3.3Å; R359-Y362 PolarHBondContact O-N 3.09Å; R359-D363 VanDerWaalsContact O-CG 3.27Å; R359-D363 PolarHBondContact O-N 3.48Å
360R90Very high89.8Confident175 Ų17563.7 Ų63.766%0.6634%0.344SS*.Hα-helixtrans-63.6-41.1176-77.9-175.6-99.9-166.9-8.6112.1S356 K357 D363 L364S356-R360 PolarHBondContact O-N 2.99Å; S356-R360 PolarHBondContact O-NE 3.37Å; K357-R360 PolarHBondContact O-N 2.84Å; R360-D363 PolarHBondContact O-N 2.9Å; R360-L364 WeakPolarHBondContact O-CB 3.34Å; R360-L364 PolarHBondContact O-N 2.97Å; R360-L364 VanDerWaalsContact O-N 3.08Å
361L91.5Very high89.7Confident2 Ų266 Ų661%0.0136%0.359CS..Hα-helixtrans-64.2-44.1176-178.264.3000111.3L105 Y114 L350 K357 E358 R359 L364 L365L105-L361 HydrophobicContact CB-CD1 4.18Å; Y114-L361 HydrophobicContact CD2-CD1 4.37Å; Y114-L361 HydrophobicContact CD2-CD2 3.37Å; Y114-L361 HydrophobicContact CD2-CG 4.49Å; Y114-L361 HydrophobicContact CE2-CD2 3.46Å; Y114-L361 VanDerWaalsContact CE2-CD2 3.46Å; Y114-L361 HydrophobicContact CG-CD2 4.43Å; L350-L361 HydrophobicContact CD1-CB 4.4Å; L350-L361 HydrophobicContact CD1-CD2 3.67Å; L350-L361 HydrophobicContact CD1-CG 3.81Å; L350-L361 HydrophobicContact CD2-CD2 4.38Å; K357-L361 PolarHBondContact O-N 2.93Å; E358-L361 PolarHBondContact O-N 3.38Å; R359-L361 VanDerWaalsContact C-N 3.34Å; R359-L361 PolarHBondContact O-N 2.98Å; L361-L364 PolarHBondContact O-N 2.63Å; L361-L365 HydrophobicContact CD1-CD1 3.89Å; L361-L365 HydrophobicContact CD1-CG 4.04Å; L361-L365 HydrophobicContact CG-CD1 3.81Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 WeakPolarHBondContact O-CB 3.23Å; L361-L365 VanDerWaalsContact O-CG 3.22Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.07Å
362Y93.3Very high89.4Confident44 Ų4464 Ų6417%0.17335%0.351CS..Hα-helixtrans-55.9-51.9173.9172.2-100.7000111.4V347 L350 K351 E358 R359 L364 L365 Q366V347-Y362 HydrophobicContact CG1-CD2 3.84Å; V347-Y362 HydrophobicContact CG1-CE2 3.55Å; V347-Y362 VanDerWaalsContact O-CD2 3.27Å; V347-Y362 WeakPolarHBondContact O-CD2 3.43Å; V347-Y362 WeakPolarHBondContact O-CE2 3.39Å; L350-Y362 HydrophobicContact CB-CD2 4.22Å; K351-Y362 HydrophobicContact CB-CD2 4.23Å; K351-Y362 HydrophobicContact CB-CE2 3.77Å; K351-Y362 HydrophobicContact CG-CE2 3.94Å; E358-Y362 WeakPolarHBondContact O-CB 3.45Å; E358-Y362 PolarHBondContact O-N 2.81Å; R359-Y362 WeakPolarHBondContact O-CB 3.3Å; R359-Y362 PolarHBondContact O-N 3.09Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; Y362-L364 PolarHBondContact O-N 3.14Å; Y362-L365 PolarHBondContact O-N 3.13Å; Y362-Q366 HydrophobicContact CE2-CB 4.4Å; Y362-Q366 WeakPolarHBondContact O-CB 3.19Å; Y362-Q366 PolarHBondContact O-N 2.98Å; Y362-Q366 PolarHBondContact OH-OE1 3.28Å
363D90.8Very high89.2Confident83 Ų8360.4 Ų60.444%0.44431%0.314SS..Hα-helixtrans-60.8-41.3-178.4-67.7-25.4000111.9R359 R360 N367R359-D363 VanDerWaalsContact O-CG 3.27Å; R359-D363 PolarHBondContact O-N 3.48Å; R360-D363 PolarHBondContact O-N 2.9Å; D363-N367 VanDerWaalsContact O-CB 3.27Å; D363-N367 WeakPolarHBondContact O-CB 3.37Å; D363-N367 PolarHBondContact O-N 3.45Å; D363-N367 VanDerWaalsContact O-N 3.14Å; D363-N367 PolarHBondContact O-ND2 2.89Å
364L90.8Very high89.2Confident60 Ų6063 Ų6331%0.31432%0.324SS..Hα-helixtrans-65-50177.4-177.368000111.5L105 R360 L361 Y362 S368 F369L105-L364 HydrophobicContact CB-CD2 4.18Å; L105-L364 HydrophobicContact CD2-CD2 3.83Å; R360-L364 WeakPolarHBondContact O-CB 3.34Å; R360-L364 PolarHBondContact O-N 2.97Å; R360-L364 VanDerWaalsContact O-N 3.08Å; L361-L364 PolarHBondContact O-N 2.63Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; Y362-L364 PolarHBondContact O-N 3.14Å; L364-S368 WeakPolarHBondContact O-CB 3.33Å; L364-S368 PolarHBondContact O-N 2.91Å; L364-F369 HydrophobicContact CD1-CE2 4.05Å; L364-F369 HydrophobicContact CD2-CE2 4.21Å; L364-F369 HydrophobicContact CG-CD2 4.11Å; L364-F369 HydrophobicContact CG-CE2 3.84Å; L364-F369 PolarHBondContact O-N 3.29Å
365L91.3Very high89.1Confident0 Ų063.9 Ų63.90%031%0.311CS..Iπ-helixtrans-66.7-44.2-177.2-67.4175.5000111.6L105 W343 L346 V347 L350 L361 Y362 F369 L370L105-L365 HydrophobicContact CD1-CD2 4.06Å; W343-L365 HydrophobicContact CE3-CD2 4.28Å; W343-L365 HydrophobicContact CZ3-CD2 3.68Å; L346-L365 HydrophobicContact CD2-CD1 3.98Å; L346-L365 HydrophobicContact CG-CD1 4.36Å; V347-L365 HydrophobicContact CG2-CB 3.67Å; V347-L365 HydrophobicContact CG2-CD1 4.4Å; L350-L365 HydrophobicContact CD1-CD1 3.91Å; L361-L365 HydrophobicContact CD1-CD1 3.89Å; L361-L365 HydrophobicContact CD1-CG 4.04Å; L361-L365 HydrophobicContact CG-CD1 3.81Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 WeakPolarHBondContact O-CB 3.23Å; L361-L365 VanDerWaalsContact O-CG 3.22Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.07Å; Y362-L365 PolarHBondContact O-N 3.13Å; L365-F369 HydrophobicContact CD2-CB 4.48Å; L365-F369 HydrophobicContact CD2-CG 4.49Å; L365-F369 PolarHBondContact O-N 3.48Å; L365-L370 WeakPolarHBondContact O-CB 3.42Å; L365-L370 PolarHBondContact O-N 2.97Å
366Q92.1Very high88.9Confident62 Ų6264.5 Ų64.529%0.2931%0.309SS..Iπ-helixtrans-66.3-44-178.3177.968.762.500112.5V347 Y362V347-Q366 HydrophobicContact CG1-CB 4.04Å; Y362-Q366 HydrophobicContact CE2-CB 4.4Å; Y362-Q366 WeakPolarHBondContact O-CB 3.19Å; Y362-Q366 PolarHBondContact O-N 2.98Å; Y362-Q366 PolarHBondContact OH-OE1 3.28Å
367N88.9Confident88.8Confident109 Ų10964.4 Ų64.458%0.58330%0.3SS*.Iπ-helixtrans-94.4-30.7-169.2-61.1-48.1000113.4D363D363-N367 VanDerWaalsContact O-CB 3.27Å; D363-N367 WeakPolarHBondContact O-CB 3.37Å; D363-N367 PolarHBondContact O-N 3.45Å; D363-N367 VanDerWaalsContact O-N 3.14Å; D363-N367 PolarHBondContact O-ND2 2.89Å
368S83.9Confident88.8Confident70 Ų7065 Ų6549%0.4931%0.305SS..Iπ-helixtrans-107.9-39.3-174-54.60000113.4L364L364-S368 WeakPolarHBondContact O-CB 3.33Å; L364-S368 PolarHBondContact O-N 2.91Å
369F86.7Confident88.5Confident31 Ų3169.8 Ų69.814%0.13633%0.327CS..Iπ-helixtrans-93.1-51.4-173.9-74.4-96.8000112.4L105 Y116 W343 L364 L365 P371 E372 I373L105-F369 HydrophobicContact CD1-CE1 4.33Å; L105-F369 HydrophobicContact CD1-CE2 4.49Å; L105-F369 HydrophobicContact CD1-CZ 4.22Å; L105-F369 HydrophobicContact CD2-CE1 4.18Å; L105-F369 HydrophobicContact CD2-CE2 3.68Å; L105-F369 HydrophobicContact CD2-CZ 3.37Å; L105-F369 HydrophobicContact CG-CZ 4.46Å; Y116-F369 AromaticContact CD1-CE1 3.92Å; Y116-F369 HydrophobicContact CD1-CE1 3.92Å; Y116-F369 HydrophobicContact CD2-CD1 4.3Å; Y116-F369 AromaticContact CD2-CE1 3.93Å; Y116-F369 HydrophobicContact CD2-CE1 3.93Å; Y116-F369 HydrophobicContact CE1-CE1 4.18Å; Y116-F369 HydrophobicContact CE2-CD1 4.38Å; Y116-F369 HydrophobicContact CE2-CE1 4.2Å; Y116-F369 AromaticContact CG-CE1 3.78Å; Y116-F369 HydrophobicContact CG-CE1 3.78Å; W343-F369 HydrophobicContact CH2-CD1 4.17Å; W343-F369 HydrophobicContact CZ3-CB 3.89Å; W343-F369 HydrophobicContact CZ3-CD1 4.26Å; W343-F369 HydrophobicContact CZ3-CG 4.29Å; L364-F369 HydrophobicContact CD1-CE2 4.05Å; L364-F369 HydrophobicContact CD2-CE2 4.21Å; L364-F369 HydrophobicContact CG-CD2 4.11Å; L364-F369 HydrophobicContact CG-CE2 3.84Å; L364-F369 PolarHBondContact O-N 3.29Å; L365-F369 HydrophobicContact CD2-CB 4.48Å; L365-F369 HydrophobicContact CD2-CG 4.49Å; L365-F369 PolarHBondContact O-N 3.48Å; F369-P371 VanDerWaalsContact C-CD 3.49Å; F369-E372 PolarHBondContact O-N 3.25Å; F369-E372 VanDerWaalsContact O-N 3.09Å; F369-I373 VanDerWaalsContact O-CG1 3.29Å; F369-I373 WeakPolarHBondContact O-CG1 3.35Å; F369-I373 PolarHBondContact O-N 3.34Å
370L88.7Confident88Confident16 Ų1668 Ų688%0.08432%0.323CS..Hα-helixtrans-55.1-43.4-170.9-163.870.6000114F340 W343 K344 L365 I373 E374F340-L370 HydrophobicContact CD2-CD1 4.42Å; F340-L370 HydrophobicContact CE2-CD1 3.8Å; F340-L370 HydrophobicContact CE2-CG 4.2Å; W343-L370 HydrophobicContact CB-CD1 3.83Å; K344-L370 HydrophobicContact CG-CD1 4.11Å; K344-L370 HydrophobicContact CG-CD2 4.47Å; L365-L370 WeakPolarHBondContact O-CB 3.42Å; L365-L370 PolarHBondContact O-N 2.97Å; L370-I373 PolarHBondContact O-N 3.32Å; L370-E374 WeakPolarHBondContact O-CB 3.49Å; L370-E374 PolarHBondContact O-N 3.25Å
371P89.3Confident87.7Confident54 Ų5467.5 Ų67.535%0.35133%0.325SS..Hα-helixtrans-64.7-40.4177.3-21.234.3000113.2F369 E374 K375F369-P371 VanDerWaalsContact C-CD 3.49Å; P371-E374 PolarHBondContact O-N 3.14Å; P371-K375 WeakPolarHBondContact O-CG 3.21Å; P371-K375 PolarHBondContact O-N 3.23Å; P371-K375 VanDerWaalsContact O-N 3.16Å
372E84.5Confident87.5Confident87 Ų8771.3 Ų71.341%0.40735%0.349SS..Hα-helixtrans-71.3-39.8179.6-67-56133.100111.3F369 E374 K375 F376F369-E372 PolarHBondContact O-N 3.25Å; F369-E372 VanDerWaalsContact O-N 3.09Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 3Å; E372-K375 PolarHBondContact O-N 2.93Å; E372-K375 IonicContact OE1-NZ 2.99Å; E372-K375 PolarHBondContact OE1-NZ 2.98Å; E372-K375 IonicContact OE2-NZ 3.96Å; E372-F376 WeakPolarHBondContact O-CD2 3.22Å; E372-F376 PolarHBondContact O-N 2.97Å
373I85.6Confident86.8Confident3 Ų372.6 Ų72.62%0.01536%0.356CS..Hα-helixtrans-62.8-41.1174.4-63.7-54.2000110.8G119 F340 W343 F369 L370 F376 Y377G119-I373 WeakPolarHBondContact O-CD1 3.48Å; F340-I373 HydrophobicContact CD2-CG2 4.15Å; W343-I373 HydrophobicContact CD2-CG1 4.39Å; W343-I373 HydrophobicContact CD2-CG2 4.5Å; W343-I373 HydrophobicContact CG-CG2 4.28Å; W343-I373 HydrophobicContact CH2-CG1 4.4Å; W343-I373 HydrophobicContact CZ2-CD1 4.28Å; W343-I373 HydrophobicContact CZ2-CG1 4.23Å; F369-I373 VanDerWaalsContact O-CG1 3.29Å; F369-I373 WeakPolarHBondContact O-CG1 3.35Å; F369-I373 PolarHBondContact O-N 3.34Å; L370-I373 PolarHBondContact O-N 3.32Å; I373-F376 WeakPolarHBondContact O-CB 3.38Å; I373-F376 PolarHBondContact O-N 3.18Å; I373-Y377 HydrophobicContact CG2-CD2 3.71Å; I373-Y377 HydrophobicContact CG2-CE2 3.51Å; I373-Y377 VanDerWaalsContact O-CD2 3.23Å; I373-Y377 WeakPolarHBondContact O-CD2 3.42Å; I373-Y377 PolarHBondContact O-N 3.03Å
374E90.7Very high86.4Confident74 Ų7474.2 Ų74.235%0.34636%0.359SS..Hα-helixtrans-57.2-52.6175.1-170.2158.9-139.900111.3F340 K344 L370 P371 E372 F376 Y377 E378F340-E374 HydrophobicContact CD2-CB 4.42Å; F340-E374 HydrophobicContact CE1-CB 4.3Å; F340-E374 HydrophobicContact CE1-CG 3.83Å; F340-E374 VanDerWaalsContact CE1-OE1 3.28Å; F340-E374 WeakPolarHBondContact CE1-OE1 3.12Å; F340-E374 HydrophobicContact CE2-CB 3.55Å; F340-E374 HydrophobicContact CE2-CG 4.02Å; F340-E374 HydrophobicContact CZ-CB 3.47Å; F340-E374 VanDerWaalsContact CZ-CB 3.47Å; F340-E374 HydrophobicContact CZ-CG 3.42Å; F340-E374 VanDerWaalsContact CZ-CG 3.42Å; F340-E374 VanDerWaalsContact CZ-OE1 3.25Å; F340-E374 WeakPolarHBondContact CZ-OE1 3.22Å; K344-E374 IonicContact NZ-OE1 3.91Å; L370-E374 WeakPolarHBondContact O-CB 3.49Å; L370-E374 PolarHBondContact O-N 3.25Å; P371-E374 PolarHBondContact O-N 3.14Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 3Å; E374-F376 VanDerWaalsContact C-N 3.29Å; E374-F376 PolarHBondContact O-N 2.99Å; E374-Y377 PolarHBondContact O-N 3.33Å; E374-Y377 VanDerWaalsContact O-N 3.1Å; E374-E378 WeakPolarHBondContact O-CG 3.37Å; E374-E378 PolarHBondContact O-N 3.49Å
375K86.8Confident85.9Confident110 Ų11076 Ų7648%0.47837%0.366SS..Hα-helixtrans-54.3-44.2174.9-68.6174-173.7171.10112P371 E372 Y377 E378 Q379P371-K375 WeakPolarHBondContact O-CG 3.21Å; P371-K375 PolarHBondContact O-N 3.23Å; P371-K375 VanDerWaalsContact O-N 3.16Å; E372-K375 PolarHBondContact O-N 2.93Å; E372-K375 IonicContact OE1-NZ 2.99Å; E372-K375 PolarHBondContact OE1-NZ 2.98Å; E372-K375 IonicContact OE2-NZ 3.96Å; K375-Y377 PolarHBondContact O-N 3.47Å; K375-E378 PolarHBondContact O-N 3.37Å; K375-Q379 WeakPolarHBondContact O-CB 3.34Å; K375-Q379 PolarHBondContact O-N 3.35Å
376F84.3Confident85.5Confident67 Ų6781.4 Ų81.429%0.29439%0.391SS..Hα-helixtrans-60.6-40.8178-100.4-75.3000113T120 E372 I373 E374 K380T120-F376 HydrophobicContact CG2-CB 3.93Å; T120-F376 HydrophobicContact CG2-CG 4.47Å; E372-F376 WeakPolarHBondContact O-CD2 3.22Å; E372-F376 PolarHBondContact O-N 2.97Å; I373-F376 WeakPolarHBondContact O-CB 3.38Å; I373-F376 PolarHBondContact O-N 3.18Å; E374-F376 VanDerWaalsContact C-N 3.29Å; E374-F376 PolarHBondContact O-N 2.99Å; F376-K380 WeakPolarHBondContact O-CB 3.43Å; F376-K380 WeakPolarHBondContact O-CG 3.42Å; F376-K380 PolarHBondContact O-N 2.9Å
377Y85.5Confident84.7Confident57 Ų5786.2 Ų86.222%0.22441%0.407CS..Hα-helixtrans-70.4-38.4176.2-82.9-78.9000111.9T120 D338 T339 F340 I373 E374 K375 K381T120-Y377 WeakPolarHBondContact CB-OH 3.37Å; T120-Y377 HydrophobicContact CG2-CD2 4.27Å; T120-Y377 HydrophobicContact CG2-CE2 3.87Å; T120-Y377 PolarHBondContact OG1-OH 2.94Å; D338-Y377 VanDerWaalsContact C-OH 3.24Å; D338-Y377 PolarHBondContact O-OH 2.79Å; T339-Y377 VanDerWaalsContact CA-OH 3.31Å; T339-Y377 WeakPolarHBondContact CA-OH 3.42Å; F340-Y377 HydrophobicContact CB-CD2 3.7Å; F340-Y377 HydrophobicContact CB-CE2 3.88Å; F340-Y377 HydrophobicContact CB-CG 4.14Å; F340-Y377 HydrophobicContact CD2-CD2 4.33Å; F340-Y377 HydrophobicContact CG-CD2 4.32Å; I373-Y377 HydrophobicContact CG2-CD2 3.71Å; I373-Y377 HydrophobicContact CG2-CE2 3.51Å; I373-Y377 VanDerWaalsContact O-CD2 3.23Å; I373-Y377 WeakPolarHBondContact O-CD2 3.42Å; I373-Y377 PolarHBondContact O-N 3.03Å; E374-Y377 PolarHBondContact O-N 3.33Å; E374-Y377 VanDerWaalsContact O-N 3.1Å; K375-Y377 PolarHBondContact O-N 3.47Å; Y377-K381 WeakPolarHBondContact O-CB 3.38Å; Y377-K381 PolarHBondContact O-N 3.29Å
378E87.2Confident84.1Confident119 Ų11984.7 Ų84.756%0.55640%0.396SS*.Hα-helixtrans-61.7-48174.5-70.8-177.3164.600111.5E374 K375 K380 K381 V382E374-E378 WeakPolarHBondContact O-CG 3.37Å; E374-E378 PolarHBondContact O-N 3.49Å; K375-E378 PolarHBondContact O-N 3.37Å; E378-K380 PolarHBondContact O-N 3.42Å; E378-K381 WeakPolarHBondContact O-CB 3.3Å; E378-K381 PolarHBondContact O-N 3.33Å; E378-K381 VanDerWaalsContact O-N 3.16Å; E378-V382 WeakPolarHBondContact O-CG2 3.33Å; E378-V382 PolarHBondContact O-N 2.8Å
379Q85.2Confident83.9Confident108 Ų10885.8 Ų85.851%0.50540%0.396SS..Hα-helixtrans-60.3-48.3176.6-177177.9-1.900111.6K375 K381 V382 E383K375-Q379 WeakPolarHBondContact O-CB 3.34Å; K375-Q379 PolarHBondContact O-N 3.35Å; Q379-K381 PolarHBondContact O-N 3.11Å; Q379-V382 PolarHBondContact O-N 3.14Å; Q379-V382 VanDerWaalsContact O-N 3.1Å; Q379-E383 HydrophobicContact CG-CG 4.42Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.29Å; Q379-E383 PolarHBondContact NE2-OE1 3.25Å; Q379-E383 WeakPolarHBondContact O-CG 3.39Å; Q379-E383 PolarHBondContact O-N 3.01Å
380K81.7Confident83.3Confident96 Ų9686.8 Ų86.842%0.41740%0.402SS..Hα-helixtrans-58.6-34.9176.4-82.5-177.8176.8176.10112.5F376 E378 K384F376-K380 WeakPolarHBondContact O-CB 3.43Å; F376-K380 WeakPolarHBondContact O-CG 3.42Å; F376-K380 PolarHBondContact O-N 2.9Å; E378-K380 PolarHBondContact O-N 3.42Å; K380-K384 VanDerWaalsContact O-CB 3.25Å; K380-K384 WeakPolarHBondContact O-CB 3.32Å; K380-K384 PolarHBondContact O-N 2.81Å
381K83.2Confident82.4Confident165 Ų16591.8 Ų91.872%0.71743%0.426SS*.Hα-helixtrans-66.6-43.9176.3-173.2-178.2178.3-175.70111.1Y377 E378 Q379 K384 Q385Y377-K381 WeakPolarHBondContact O-CB 3.38Å; Y377-K381 PolarHBondContact O-N 3.29Å; E378-K381 WeakPolarHBondContact O-CB 3.3Å; E378-K381 PolarHBondContact O-N 3.33Å; E378-K381 VanDerWaalsContact O-N 3.16Å; Q379-K381 PolarHBondContact O-N 3.11Å; K381-K384 PolarHBondContact O-N 2.74Å; K381-Q385 PolarHBondContact O-N 3.36Å
382V86.7Confident81.6Confident82 Ų8293.9 Ų93.950%0.49744%0.438SS..Hα-helixtrans-62.9-49.6175.7175.10000111E378 Q379 K384 Q385 Q386E378-V382 WeakPolarHBondContact O-CG2 3.33Å; E378-V382 PolarHBondContact O-N 2.8Å; Q379-V382 PolarHBondContact O-N 3.14Å; Q379-V382 VanDerWaalsContact O-N 3.1Å; V382-K384 VanDerWaalsContact C-N 3.3Å; V382-K384 PolarHBondContact O-N 3.44Å; V382-Q385 WeakPolarHBondContact O-CB 3.38Å; V382-Q385 PolarHBondContact O-N 3.43Å; V382-Q385 VanDerWaalsContact O-N 3.15Å; V382-Q386 HydrophobicContact CG1-CG 4.42Å; V382-Q386 WeakPolarHBondContact O-CG 3.48Å; V382-Q386 PolarHBondContact O-N 3.43Å
383E80.1Confident81.2Confident72 Ų7295.1 Ų95.134%0.33644%0.439SS..Hα-helixtrans-61.7-37.1178.8-72.1174.9-174.200112.7Q379 R387Q379-E383 HydrophobicContact CG-CG 4.42Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.29Å; Q379-E383 PolarHBondContact NE2-OE1 3.25Å; Q379-E383 WeakPolarHBondContact O-CG 3.39Å; Q379-E383 PolarHBondContact O-N 3.01Å; E383-R387 WeakPolarHBondContact O-CB 3.33Å; E383-R387 WeakPolarHBondContact O-CG 3.5Å; E383-R387 PolarHBondContact O-N 2.67Å; E383-R387 PolarHBondContact O-NE 3.08Å
384K81.7Confident80.5Confident116 Ų116102.3 Ų102.350%0.50447%0.466SS..Hα-helixtrans-65-45.9174.7-171.4-175.3-177-112.20110.7K380 K381 V382 Q386 R387 E388K380-K384 VanDerWaalsContact O-CB 3.25Å; K380-K384 WeakPolarHBondContact O-CB 3.32Å; K380-K384 PolarHBondContact O-N 2.81Å; K381-K384 PolarHBondContact O-N 2.74Å; V382-K384 VanDerWaalsContact C-N 3.3Å; V382-K384 PolarHBondContact O-N 3.44Å; K384-Q386 VanDerWaalsContact C-N 3.33Å; K384-Q386 PolarHBondContact O-N 3.08Å; K384-R387 PolarHBondContact O-N 3.09Å; K384-E388 WeakPolarHBondContact CE-OE1 3.33Å; K384-E388 IonicContact NZ-OE1 2.79Å; K384-E388 PolarHBondContact NZ-OE1 3.39Å; K384-E388 WeakPolarHBondContact O-CG 3.39Å; K384-E388 PolarHBondContact O-N 3.48Å
385Q80.7Confident79.4Confident97 Ų97103.3 Ų103.345%0.45347%0.473SS..Hα-helixtrans-62.3-41.6177.6-171.464.856.400111.6K381 V382 E388 N389K381-Q385 PolarHBondContact O-N 3.36Å; V382-Q385 WeakPolarHBondContact O-CB 3.38Å; V382-Q385 PolarHBondContact O-N 3.43Å; V382-Q385 VanDerWaalsContact O-N 3.15Å; Q385-E388 PolarHBondContact O-N 3.33Å; Q385-N389 PolarHBondContact NE2-OD1 2.93Å; Q385-N389 WeakPolarHBondContact O-CB 3.4Å; Q385-N389 PolarHBondContact O-N 3.32Å; Q385-N389 PolarHBondContact O-ND2 3.34Å; Q385-N389 PolarHBondContact O-OD1 2.99Å
386Q82.1Confident78.7Confident115 Ų115101.5 Ų101.554%0.53747%0.474SS..Hα-helixtrans-60.8-44.3175.1-73.9174.6-1300111.5V382 K384 N389 E390V382-Q386 HydrophobicContact CG1-CG 4.42Å; V382-Q386 WeakPolarHBondContact O-CG 3.48Å; V382-Q386 PolarHBondContact O-N 3.43Å; K384-Q386 VanDerWaalsContact C-N 3.33Å; K384-Q386 PolarHBondContact O-N 3.08Å; Q386-N389 PolarHBondContact O-N 3.15Å; Q386-E390 VanDerWaalsContact O-CB 3.31Å; Q386-E390 WeakPolarHBondContact O-CB 3.43Å; Q386-E390 PolarHBondContact O-N 3.38Å
387R76Confident78.2Confident162 Ų162102.7 Ų102.761%0.61148%0.481SS*.Hα-helixtrans-64.8-41.1176-79-176.5-79.2162.1-13113.3E383 K384 E390 M391E383-R387 WeakPolarHBondContact O-CB 3.33Å; E383-R387 WeakPolarHBondContact O-CG 3.5Å; E383-R387 PolarHBondContact O-N 2.67Å; E383-R387 PolarHBondContact O-NE 3.08Å; K384-R387 PolarHBondContact O-N 3.09Å; R387-E390 PolarHBondContact O-N 3.26Å; R387-M391 WeakPolarHBondContact O-CB 3.43Å; R387-M391 PolarHBondContact O-N 2.79Å
388E75.8Confident77.3Confident77 Ų77109.1 Ų109.136%0.3650%0.504SS..Hα-helixtrans-63.9-45.5175.7-74174.5-175.800110.8K384 Q385 E390 M391 V392K384-E388 WeakPolarHBondContact CE-OE1 3.33Å; K384-E388 IonicContact NZ-OE1 2.79Å; K384-E388 PolarHBondContact NZ-OE1 3.39Å; K384-E388 WeakPolarHBondContact O-CG 3.39Å; K384-E388 PolarHBondContact O-N 3.48Å; Q385-E388 PolarHBondContact O-N 3.33Å; E388-E390 PolarHBondContact O-N 3.31Å; E388-M391 PolarHBondContact O-N 2.93Å; E388-V392 WeakPolarHBondContact O-CG2 3.4Å; E388-V392 PolarHBondContact O-N 3.13Å
389N79Confident76.3Confident93 Ų93108 Ų10850%0.49750%0.502SS..Hα-helixtrans-61.6-42.2175.8-69.2-6.6000111.8Q385 Q386 V392 R393Q385-N389 PolarHBondContact NE2-OD1 2.93Å; Q385-N389 WeakPolarHBondContact O-CB 3.4Å; Q385-N389 PolarHBondContact O-N 3.32Å; Q385-N389 PolarHBondContact O-ND2 3.34Å; Q385-N389 PolarHBondContact O-OD1 2.99Å; Q386-N389 PolarHBondContact O-N 3.15Å; N389-V392 PolarHBondContact O-N 2.92Å; N389-R393 WeakPolarHBondContact O-CB 3.33Å; N389-R393 PolarHBondContact O-N 3.32Å
390E74.8Confident75.6Confident52 Ų52108.1 Ų108.124%0.24350%0.502CS..Hα-helixtrans-66.4-38.4177.5178.260-166.800112.1Q386 R387 E388 R393 R394Q386-E390 VanDerWaalsContact O-CB 3.31Å; Q386-E390 WeakPolarHBondContact O-CB 3.43Å; Q386-E390 PolarHBondContact O-N 3.38Å; R387-E390 PolarHBondContact O-N 3.26Å; E388-E390 PolarHBondContact O-N 3.31Å; E390-R393 PolarHBondContact O-N 3.06Å; E390-R393 IonicContact OE1-CZ 2.84Å; E390-R393 IonicContact OE1-NE 3.78Å; E390-R393 IonicContact OE1-NH2 2.64Å; E390-R393 PolarHBondContact OE1-NH2 3.31Å; E390-R393 IonicContact OE2-CZ 3.31Å; E390-R393 IonicContact OE2-NE 2.67Å; E390-R393 PolarHBondContact OE2-NE 3.31Å; E390-R393 IonicContact OE2-NH2 3.43Å; E390-R393 PolarHBondContact OE2-NH2 3.44Å; E390-R394 WeakPolarHBondContact O-CB 3.49Å; E390-R394 WeakPolarHBondContact O-CG 3.49Å; E390-R394 PolarHBondContact O-N 3.36Å; E390-R394 IonicContact OE1-CZ 2.67Å; E390-R394 VanDerWaalsContact OE1-CZ 3.25Å; E390-R394 IonicContact OE1-NE 3.79Å; E390-R394 PolarHBondContact OE1-NE 2.9Å; E390-R394 IonicContact OE1-NH2 2.64Å; E390-R394 PolarHBondContact OE1-NH2 3.47Å
391M68.9Low74.9Confident121 Ų121107.5 Ų107.560%0.59651%0.507SS*.Hα-helixtrans-62.7-45.5174.6-173.9-167.1-60.800111.3R387 E388 R393 R394 L395R387-M391 WeakPolarHBondContact O-CB 3.43Å; R387-M391 PolarHBondContact O-N 2.79Å; E388-M391 PolarHBondContact O-N 2.93Å; M391-R393 VanDerWaalsContact C-N 3.33Å; M391-R394 PolarHBondContact O-N 3.16Å; M391-L395 HydrophobicContact CG-CD1 4.27Å; M391-L395 WeakPolarHBondContact O-CB 3.44Å; M391-L395 WeakPolarHBondContact O-CG 3.17Å; M391-L395 PolarHBondContact O-N 3.08Å
392V73.9Confident73.9Confident98 Ų98106.8 Ų106.859%0.59450%0.499SS*.Hα-helixtrans-62-43.1176.2172.80000110.6E388 N389 L395 S396E388-V392 WeakPolarHBondContact O-CG2 3.4Å; E388-V392 PolarHBondContact O-N 3.13Å; N389-V392 PolarHBondContact O-N 2.92Å; V392-L395 PolarHBondContact O-N 3.47Å; V392-S396 PolarHBondContact O-N 2.95Å
393R76.4Confident72.9Confident113 Ų113110.6 Ų110.643%0.42651%0.505SS..Hα-helixtrans-58.4-51175.7-165.4-173.872.674.813.5111.5N389 E390 M391 L395 S396 E397N389-R393 WeakPolarHBondContact O-CB 3.33Å; N389-R393 PolarHBondContact O-N 3.32Å; E390-R393 PolarHBondContact O-N 3.06Å; E390-R393 IonicContact OE1-CZ 2.84Å; E390-R393 IonicContact OE1-NE 3.78Å; E390-R393 IonicContact OE1-NH2 2.64Å; E390-R393 PolarHBondContact OE1-NH2 3.31Å; E390-R393 IonicContact OE2-CZ 3.31Å; E390-R393 IonicContact OE2-NE 2.67Å; E390-R393 PolarHBondContact OE2-NE 3.31Å; E390-R393 IonicContact OE2-NH2 3.43Å; E390-R393 PolarHBondContact OE2-NH2 3.44Å; M391-R393 VanDerWaalsContact C-N 3.33Å; R393-L395 PolarHBondContact O-N 2.59Å; R393-S396 WeakPolarHBondContact O-CB 3.5Å; R393-S396 PolarHBondContact O-N 3Å; R393-S396 VanDerWaalsContact O-N 3.16Å; R393-E397 IonicContact CZ-OE1 3.91Å; R393-E397 IonicContact CZ-OE2 3.25Å; R393-E397 IonicContact NH1-OE1 3.84Å; R393-E397 PolarHBondContact NH1-OE1 3.33Å; R393-E397 IonicContact NH1-OE2 2.59Å; R393-E397 PolarHBondContact NH1-OE2 3.26Å; R393-E397 IonicContact NH2-OE2 3.36Å; R393-E397 WeakPolarHBondContact O-CG 3.41Å; R393-E397 PolarHBondContact O-N 3.31Å
394R70.7Confident72.3Confident155 Ų155110.9 Ų110.959%0.58552%0.515SS*.Hα-helixtrans-61.8-40178-72.7178.6-171.2165.23.9113.2E390 M391 S396 E397 R398E390-R394 WeakPolarHBondContact O-CB 3.49Å; E390-R394 WeakPolarHBondContact O-CG 3.49Å; E390-R394 PolarHBondContact O-N 3.36Å; E390-R394 IonicContact OE1-CZ 2.67Å; E390-R394 VanDerWaalsContact OE1-CZ 3.25Å; E390-R394 IonicContact OE1-NE 3.79Å; E390-R394 PolarHBondContact OE1-NE 2.9Å; E390-R394 IonicContact OE1-NH2 2.64Å; E390-R394 PolarHBondContact OE1-NH2 3.47Å; M391-R394 PolarHBondContact O-N 3.16Å; R394-S396 VanDerWaalsContact C-N 3.33Å; R394-E397 PolarHBondContact O-N 3.07Å; R394-R398 WeakPolarHBondContact O-CB 3.48Å; R394-R398 PolarHBondContact O-N 3.35Å
395L66.7Low71.1Confident94 Ų94110.8 Ų110.849%0.49252%0.519SS..Hα-helixtrans-62.9-42.2175-80.3168.2000111M391 V392 R393 R398 L399M391-L395 HydrophobicContact CG-CD1 4.27Å; M391-L395 WeakPolarHBondContact O-CB 3.44Å; M391-L395 WeakPolarHBondContact O-CG 3.17Å; M391-L395 PolarHBondContact O-N 3.08Å; V392-L395 PolarHBondContact O-N 3.47Å; R393-L395 PolarHBondContact O-N 2.59Å; L395-R398 PolarHBondContact O-N 3.26Å; L395-L399 WeakPolarHBondContact O-CB 3.48Å; L395-L399 VanDerWaalsContact O-CG 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 2.87Å
396S72.7Confident69.9Low73 Ų73115.7 Ų115.751%0.5153%0.534SS..Hα-helixtrans-61.3-47.1175.3-164.90000111.6V392 R393 R394 R398 L399 E400V392-S396 PolarHBondContact O-N 2.95Å; R393-S396 WeakPolarHBondContact O-CB 3.5Å; R393-S396 PolarHBondContact O-N 3Å; R393-S396 VanDerWaalsContact O-N 3.16Å; R394-S396 VanDerWaalsContact C-N 3.33Å; S396-R398 PolarHBondContact O-N 3Å; S396-L399 PolarHBondContact O-N 3.27Å; S396-E400 WeakPolarHBondContact O-CB 3.38Å; S396-E400 PolarHBondContact O-N 3.49Å
397E73.3Confident68.9Low92 Ų92118.3 Ų118.343%0.4355%0.546SS..Hα-helixtrans-61.4-41.5177.5-70.6177.7150.200112.7R393 R394 E400 T401R393-E397 IonicContact CZ-OE1 3.91Å; R393-E397 IonicContact CZ-OE2 3.25Å; R393-E397 IonicContact NH1-OE1 3.84Å; R393-E397 PolarHBondContact NH1-OE1 3.33Å; R393-E397 IonicContact NH1-OE2 2.59Å; R393-E397 PolarHBondContact NH1-OE2 3.26Å; R393-E397 IonicContact NH2-OE2 3.36Å; R393-E397 WeakPolarHBondContact O-CG 3.41Å; R393-E397 PolarHBondContact O-N 3.31Å; R394-E397 PolarHBondContact O-N 3.07Å; E397-E400 PolarHBondContact O-N 3.46Å; E397-T401 WeakPolarHBondContact O-CB 3.49Å; E397-T401 PolarHBondContact O-N 3.35Å; E397-T401 PolarHBondContact O-OG1 3.33Å
398R66.1Low67.8Low192 Ų192120.2 Ų120.273%0.72555%0.553SS**Hα-helixtrans-66.2-40177.3-170.5177.4-177.4179.71.3111.8R394 L395 S396 R402R394-R398 WeakPolarHBondContact O-CB 3.48Å; R394-R398 PolarHBondContact O-N 3.35Å; L395-R398 PolarHBondContact O-N 3.26Å; S396-R398 PolarHBondContact O-N 3Å; R398-R402 WeakPolarHBondContact O-CB 3.38Å; R398-R402 PolarHBondContact O-N 3.18Å
399L67.5Low66.6Low96 Ų96120.7 Ų120.750%0.50357%0.57SS.*Hα-helixtrans-65.4-41175.8-74.5170.4000111.4L395 S396 R402 R403L395-L399 WeakPolarHBondContact O-CB 3.48Å; L395-L399 VanDerWaalsContact O-CG 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 2.87Å; S396-L399 PolarHBondContact O-N 3.27Å; L399-R402 PolarHBondContact O-N 3.48Å; L399-R403 WeakPolarHBondContact O-CG 3.37Å; L399-R403 PolarHBondContact O-N 3.46Å
400E69.7Low65.2Low110 Ų110121.8 Ų121.851%0.51458%0.582SS.*Hα-helixtrans-66-43.8177.4-157.760.9-15500111.6S396 E397 R402 R403 S404S396-E400 WeakPolarHBondContact O-CB 3.38Å; S396-E400 PolarHBondContact O-N 3.49Å; E397-E400 PolarHBondContact O-N 3.46Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 3.29Å; E400-R403 WeakPolarHBondContact O-CB 3.32Å; E400-R403 PolarHBondContact O-N 3.46Å; E400-R403 IonicContact OE2-NH1 3.88Å; E400-S404 PolarHBondContact O-N 2.87Å
401T67.5Low64Low83 Ų83125.2 Ų125.251%0.50961%0.609SS.*Hα-helixtrans-59.7-43.1173.6-52.70000111.3E397 S404 L405E397-T401 WeakPolarHBondContact O-CB 3.49Å; E397-T401 PolarHBondContact O-N 3.35Å; E397-T401 PolarHBondContact O-OG1 3.33Å; T401-S404 PolarHBondContact O-N 3.35Å; T401-L405 HydrophobicContact CG2-CD1 4.16Å; T401-L405 WeakPolarHBondContact O-CG 3.38Å; T401-L405 PolarHBondContact O-N 3.2Å
402R61.5Low62.8Low149 Ų149124.9 Ų124.956%0.56262%0.616SS**Hα-helixtrans-68.6-33.7178.8-159.8179.380146.71.3112.4R398 L399 E400 R406R398-R402 WeakPolarHBondContact O-CB 3.38Å; R398-R402 PolarHBondContact O-N 3.18Å; L399-R402 PolarHBondContact O-N 3.48Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 3.29Å; R402-R406 PolarHBondContact O-N 2.88Å; R402-R406 VanDerWaalsContact O-N 3.12Å
403R66.1Low61Low163 Ų163127.8 Ų127.862%0.61563%0.627SS**Hα-helixtrans-63.8-50.5171.7-79.8178.9179.5173.2-1.3110.7L399 E400 L405 R406 E407L399-R403 WeakPolarHBondContact O-CG 3.37Å; L399-R403 PolarHBondContact O-N 3.46Å; E400-R403 WeakPolarHBondContact O-CB 3.32Å; E400-R403 PolarHBondContact O-N 3.46Å; E400-R403 IonicContact OE2-NH1 3.88Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 2.97Å; R403-R406 PolarHBondContact O-N 3.03Å; R403-R406 VanDerWaalsContact O-N 3.1Å; R403-E407 PolarHBondContact O-N 2.86Å; R403-E407 VanDerWaalsContact O-N 3.1Å
404S66.8Low59.2Low78 Ų78129.3 Ų129.355%0.54564%0.643SS.*Hα-helixtrans-58.4-40.7177.6-179.80000113E400 T401 E407 R408E400-S404 PolarHBondContact O-N 2.87Å; T401-S404 PolarHBondContact O-N 3.35Å; S404-E407 PolarHBondContact O-N 3.26Å; S404-R408 PolarHBondContact O-N 3.3Å
405L58Low57.7Low114 Ų114130.2 Ų130.260%0.59765%0.653SS**Hα-helixtrans-68.4-33.8176.2-73.4170.1000113.2T401 R403 E407 R408T401-L405 HydrophobicContact CG2-CD1 4.16Å; T401-L405 WeakPolarHBondContact O-CG 3.38Å; T401-L405 PolarHBondContact O-N 3.2Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 2.97Å; L405-E407 VanDerWaalsContact C-N 3.33Å; L405-R408 PolarHBondContact O-N 2.83Å
406R55.5Low56.5Low200 Ų200134.7 Ų134.776%0.75567%0.672SS**Hα-helixtrans-70.5-29175.3-99.2-174174.9-165.3-3113.1R402 R403 R408R402-R406 PolarHBondContact O-N 2.88Å; R402-R406 VanDerWaalsContact O-N 3.12Å; R403-R406 PolarHBondContact O-N 3.03Å; R403-R406 VanDerWaalsContact O-N 3.1Å; R406-R408 PolarHBondContact O-N 3.33Å
407E60.7Low54.9Low169 Ų169139.7 Ų139.779%0.7969%0.685SS**THydrogen-bonded Turntrans-76.8-10.9176.2-70.6177.4-178.600112.6R403 S404 L405R403-E407 PolarHBondContact O-N 2.86Å; R403-E407 VanDerWaalsContact O-N 3.1Å; S404-E407 PolarHBondContact O-N 3.26Å; L405-E407 VanDerWaalsContact C-N 3.33Å
408R51.4Low53.5Low203 Ų203142.7 Ų142.777%0.76670%0.697SS**SBendtrans-90.1127.7176.5-163.2172.2179.6139.4-0.9110.7S404 L405 R406S404-R408 PolarHBondContact O-N 3.3Å; L405-R408 PolarHBondContact O-N 2.83Å; R406-R408 PolarHBondContact O-N 3.33Å
409A50.7Low52.5Low87 Ų87143.4 Ų143.472%0.71970%0.701SS**PPolyproline II helixtrans-61134.3177.300000111.5
410P51.2Low51Low116 Ų116145.1 Ų145.175%0.75372%0.721SS**PPolyproline II helixtrans-65.4141.3177.224.9-31.5000111.2
411P48.9Very low49.3Very low123 Ų123143 Ų14380%0.79973%0.728SS**PPolyproline II helixtrans-69.2133.2175.3-7.522.6000110
412P42.7Very low48.1Very low114 Ų114147 Ų14774%0.7475%0.747SS**PPolyproline II helixtrans-78.8143.3174.231.1-29.4000110.1
413L38Very low46.9Very low159 Ų159147.9 Ų147.983%0.83276%0.757SS**  trans95.289.3165.1-47.7-177.2000117.6
414L38.5Very low46Very low145 Ų145148 Ų14876%0.75977%0.77SS**  trans-158.914.7154.5-117.7168.4000114.8
415H39Very low44.9Very low174 Ų174151 Ų15181%0.80678%0.78SS**SBendtrans-94.2-14.4-172.6-166.935.6000114.6
416E40.6Very low44.2Very low188 Ų188152.2 Ų152.288%0.87978%0.782SS**SBendtrans-92.95.4-170.7-94.2176.4163.200115.8
417F40.4Very low43.7Very low179 Ų179151.4 Ų151.479%0.78579%0.787SS**SBendtrans-107.3-4.5-165.3-130.7-93.4000117.1
418F43.4Very low42.9Very low154 Ų154149.3 Ų149.368%0.67578%0.78SS**SBendtrans-119.6-2.3-164.9-79.2-75.9000117.8
419Y44.5Very low42.7Very low208 Ų208141.5 Ų141.582%0.81676%0.757SS**  trans-136.676.5-173.1-59.8-74.3000113.1
420S35.2Very low42.3Very low131 Ų131143.7 Ų143.792%0.91675%0.753SS**  trans-143.5114.7160.9-62.20000107.3
421G35.6Very low42.6Very low65 Ų65141.3 Ų141.367%0.6774%0.74SS**  trans157.385.3174.100000114.7
422D42.2Very low43Very low169 Ų169140 Ų14090%0.90472%0.723SS**  trans83.5107.7138.6-50.5-26.7000120
423E36.5Very low44Very low167 Ų167138.1 Ų138.178%0.7871%0.707SS**  trans-83.3112.6169.4-59.2174156.200108.5
424D46Very low45.7Very low164 Ų164139.8 Ų139.888%0.87770%0.702SS**  trans-164-7.6159.5-91.7-32.4000113.5
425D43.5Very low47.2Very low142 Ų142142 Ų14276%0.75970%0.7SS**  trans-94.512.6-178.3-73.4-35.8000115.5E427 S429D425-E427 PolarHBondContact O-N 2.78Å; D425-S429 VanDerWaalsContact O-CB 3.25Å; D425-S429 WeakPolarHBondContact O-CB 3.19Å; D425-S429 PolarHBondContact O-N 2.92Å
426H44.6Very low48.6Very low139 Ų139140.6 Ų140.664%0.64469%0.688SS**Hα-helixtrans-70.9-18.7-160.2-105.7-13.1000116.9M430H426-M430 WeakPolarHBondContact O-CG 3.24Å
427E43.9Very low50.3Low184 Ų184136.4 Ų136.486%0.8667%0.668SS**Hα-helixtrans-93.6-30.8-173.1-143.3172.5-165.800114D425D425-E427 PolarHBondContact O-N 2.78Å
428I44Very low51.8Low125 Ų125132.1 Ų132.164%0.64165%0.653SS**Hα-helixtrans-77.9-37.1172.3-61.3172.8000110.1M430 S431 E432I428-M430 PolarHBondContact O-N 3.38Å; I428-S431 PolarHBondContact O-N 3.08Å; I428-S431 VanDerWaalsContact O-N 3.16Å; I428-S431 PolarHBondContact O-OG 2.92Å; I428-E432 PolarHBondContact O-N 2.85Å
429S48.3Very low53Low39 Ų39129.3 Ų129.327%0.27365%0.645SS.*Hα-helixtrans-56.6-42.5179-177.80000113.3D425 S431 E432 D433D425-S429 VanDerWaalsContact O-CB 3.25Å; D425-S429 WeakPolarHBondContact O-CB 3.19Å; D425-S429 PolarHBondContact O-N 2.92Å; S429-S431 VanDerWaalsContact C-N 3.25Å; S429-S431 PolarHBondContact O-N 3.41Å; S429-E432 PolarHBondContact O-N 3.46Å; S429-D433 VanDerWaalsContact O-CB 3.26Å; S429-D433 WeakPolarHBondContact O-CB 3.3Å; S429-D433 PolarHBondContact O-N 3.04Å; S429-D433 PolarHBondContact OG-OD2 3.31Å
430M41Very low54.2Low132 Ų132123.3 Ų123.365%0.6563%0.626SS**Hα-helixtrans-63.9-25.9179.4-71.5-68-66.800114.1H426 I428 R434H426-M430 WeakPolarHBondContact O-CG 3.24Å; I428-M430 PolarHBondContact O-N 3.38Å; M430-R434 WeakPolarHBondContact O-CB 3.21Å; M430-R434 PolarHBondContact O-N 3.44Å
431S58.4Low56.1Low67 Ų67121.7 Ų121.747%0.46960%0.604SS.*Hα-helixtrans-84.4-36.7178.179.40000112.4I428 S429 R435I428-S431 PolarHBondContact O-N 3.08Å; I428-S431 VanDerWaalsContact O-N 3.16Å; I428-S431 PolarHBondContact O-OG 2.92Å; S429-S431 VanDerWaalsContact C-N 3.25Å; S429-S431 PolarHBondContact O-N 3.41Å; S431-R435 PolarHBondContact O-N 3.46Å; S431-R435 VanDerWaalsContact O-N 3.16Å
432E57.4Low57.7Low96 Ų96125.7 Ų125.745%0.44960%0.599SS.*Hα-helixtrans-73.4-40174.3-70.2-165.716600111.7I428 S429 R434 R435 R436I428-E432 PolarHBondContact O-N 2.85Å; S429-E432 PolarHBondContact O-N 3.46Å; E432-R434 VanDerWaalsContact C-N 3.35Å; E432-R434 PolarHBondContact O-N 3.39Å; E432-R435 CarbonylContact O-C 3.57Å; E432-R435 WeakPolarHBondContact O-CB 3.5Å; E432-R435 PolarHBondContact O-N 3.25Å; E432-R435 VanDerWaalsContact O-N 3.14Å; E432-R436 WeakPolarHBondContact O-CG 3.37Å; E432-R436 PolarHBondContact O-N 3.21Å; E432-R436 IonicContact OE2-NH2 3.52Å
433D63.3Low58.8Low74 Ų74124.8 Ų124.840%0.39658%0.583SS.*Hα-helixtrans-64.1-40175.6-79.2-15.7000111.4S429 R435 R436 Q437S429-D433 VanDerWaalsContact O-CB 3.26Å; S429-D433 WeakPolarHBondContact O-CB 3.3Å; S429-D433 PolarHBondContact O-N 3.04Å; S429-D433 PolarHBondContact OG-OD2 3.31Å; D433-R435 VanDerWaalsContact C-N 3.34Å; D433-R435 PolarHBondContact O-N 3.07Å; D433-R436 PolarHBondContact O-N 3.14Å; D433-R436 IonicContact OD1-NH1 3.73Å; D433-Q437 VanDerWaalsContact O-CB 3.27Å; D433-Q437 WeakPolarHBondContact O-CB 3.46Å; D433-Q437 PolarHBondContact O-N 3.42Å
434R72.8Confident60.6Low194 Ų194120.9 Ų120.973%0.73257%0.565SS**Hα-helixtrans-63.7-38.7172.2-175176.3-88.5-143.5-3111.8M430 E432 L438M430-R434 WeakPolarHBondContact O-CB 3.21Å; M430-R434 PolarHBondContact O-N 3.44Å; E432-R434 VanDerWaalsContact C-N 3.35Å; E432-R434 PolarHBondContact O-N 3.39Å; R434-L438 HydrophobicContact CG-CD1 4.43Å; R434-L438 VanDerWaalsContact O-CG 3.29Å; R434-L438 WeakPolarHBondContact O-CG 3.37Å; R434-L438 PolarHBondContact O-N 3Å
435R71.2Confident62Low190 Ų190119.3 Ų119.372%0.71755%0.552SS**Hα-helixtrans-64.6-46.4173.8-81-178.8173.8-146.5-0.4111.8S431 E432 D433 Q437 L438 D439S431-R435 PolarHBondContact O-N 3.46Å; S431-R435 VanDerWaalsContact O-N 3.16Å; E432-R435 CarbonylContact O-C 3.57Å; E432-R435 WeakPolarHBondContact O-CB 3.5Å; E432-R435 PolarHBondContact O-N 3.25Å; E432-R435 VanDerWaalsContact O-N 3.14Å; D433-R435 VanDerWaalsContact C-N 3.34Å; D433-R435 PolarHBondContact O-N 3.07Å; R435-Q437 VanDerWaalsContact C-N 3.33Å; R435-Q437 PolarHBondContact O-N 3.46Å; R435-L438 PolarHBondContact O-N 3.04Å; R435-D439 PolarHBondContact O-N 2.67Å
436R68.5Low63.1Low145 Ų145118.8 Ų118.855%0.54754%0.539SS..Hα-helixtrans-60.2-42.7176.3-72174.2-174.2171.94.9111.3E432 D433 D439 I440E432-R436 WeakPolarHBondContact O-CG 3.37Å; E432-R436 PolarHBondContact O-N 3.21Å; E432-R436 IonicContact OE2-NH2 3.52Å; D433-R436 PolarHBondContact O-N 3.14Å; D433-R436 IonicContact OD1-NH1 3.73Å; R436-D439 PolarHBondContact O-N 3.42Å; R436-I440 VanDerWaalsContact O-CG1 3.26Å; R436-I440 WeakPolarHBondContact O-CG1 3.43Å; R436-I440 PolarHBondContact O-N 3.31Å
437Q74.8Confident64.3Low100 Ų100118.1 Ų118.147%0.46753%0.532SS..Hα-helixtrans-62.5-43.8177.3-170.262.822.300111.8D433 R435 D439 I440 E441D433-Q437 VanDerWaalsContact O-CB 3.27Å; D433-Q437 WeakPolarHBondContact O-CB 3.46Å; D433-Q437 PolarHBondContact O-N 3.42Å; R435-Q437 VanDerWaalsContact C-N 3.33Å; R435-Q437 PolarHBondContact O-N 3.46Å; Q437-D439 VanDerWaalsContact C-N 3.33Å; Q437-D439 PolarHBondContact O-N 3.44Å; Q437-I440 PolarHBondContact O-N 2.89Å; Q437-E441 WeakPolarHBondContact O-CB 3.45Å; Q437-E441 WeakPolarHBondContact O-CG 2.92Å; Q437-E441 PolarHBondContact O-N 3.02Å
438L72.3Confident66.1Low90 Ų90117 Ų11747%0.47152%0.52SS..Hα-helixtrans-63.7-36.8175.3-72.9168.9000112.4R434 R435 R442R434-L438 HydrophobicContact CG-CD1 4.43Å; R434-L438 VanDerWaalsContact O-CG 3.29Å; R434-L438 WeakPolarHBondContact O-CG 3.37Å; R434-L438 PolarHBondContact O-N 3Å; R435-L438 PolarHBondContact O-N 3.04Å; L438-R442 VanDerWaalsContact O-CB 3.24Å; L438-R442 WeakPolarHBondContact O-CB 3.49Å; L438-R442 PolarHBondContact O-N 3.35Å
439D68.4Low67.4Low95 Ų95116.9 Ų116.951%0.50852%0.518SS..Hα-helixtrans-70.1-39.2175.7-82.5-18.2000112.5R435 R436 Q437 R443R435-D439 PolarHBondContact O-N 2.67Å; R436-D439 PolarHBondContact O-N 3.42Å; Q437-D439 VanDerWaalsContact C-N 3.33Å; Q437-D439 PolarHBondContact O-N 3.44Å; D439-R443 VanDerWaalsContact O-CB 3.27Å; D439-R443 WeakPolarHBondContact O-CB 3.32Å; D439-R443 PolarHBondContact O-N 3.29Å
440I71.5Confident68.5Low82 Ų82121.7 Ų121.742%0.42153%0.53SS..Hα-helixtrans-62-50.1172.5-68.8164.7000109.7R436 Q437 R442 R443 E444R436-I440 VanDerWaalsContact O-CG1 3.26Å; R436-I440 WeakPolarHBondContact O-CG1 3.43Å; R436-I440 PolarHBondContact O-N 3.31Å; Q437-I440 PolarHBondContact O-N 2.89Å; I440-R442 PolarHBondContact O-N 2.62Å; I440-R443 CarbonylContact O-C 3.6Å; I440-R443 WeakPolarHBondContact O-CA 3.28Å; I440-R443 WeakPolarHBondContact O-CB 3.48Å; I440-R443 PolarHBondContact O-N 3.25Å; I440-R443 VanDerWaalsContact O-N 3.08Å; I440-E444 HydrophobicContact CG2-CG 4.35Å; I440-E444 WeakPolarHBondContact O-CG 3.34Å; I440-E444 PolarHBondContact O-N 3.35Å
441E74.2Confident70.3Confident97 Ų97118.3 Ų118.345%0.45352%0.523SS..Hα-helixtrans-58.6-45.3177.6-77.6176.9-174.500111.9Q437 R443 E444 Q445Q437-E441 WeakPolarHBondContact O-CB 3.45Å; Q437-E441 WeakPolarHBondContact O-CG 2.92Å; Q437-E441 PolarHBondContact O-N 3.02Å; E441-R443 VanDerWaalsContact C-N 3.28Å; E441-R443 PolarHBondContact O-N 3.12Å; E441-E444 PolarHBondContact O-N 3.23Å; E441-Q445 VanDerWaalsContact O-CB 3.3Å; E441-Q445 WeakPolarHBondContact O-CB 3.41Å; E441-Q445 PolarHBondContact O-N 3.2Å
442R69.8Low71.3Confident148 Ų148119.4 Ų119.456%0.55852%0.523SS*.Hα-helixtrans-62.4-36.7176-167.2-170.7-57.2-1132111.7L438 I440 R446L438-R442 VanDerWaalsContact O-CB 3.24Å; L438-R442 WeakPolarHBondContact O-CB 3.49Å; L438-R442 PolarHBondContact O-N 3.35Å; I440-R442 PolarHBondContact O-N 2.62Å; R442-R446 WeakPolarHBondContact O-CG 3.32Å; R442-R446 PolarHBondContact O-N 3.23Å; R442-R446 PolarHBondContact O-NE 3.27Å
443R64.7Low72.1Confident150 Ų150117.4 Ų117.457%0.56651%0.514SS*.Hα-helixtrans-71.2-44.6176.5-167.4178.6-173.4167.90.7111.5D439 I440 E441 R446 Y447D439-R443 VanDerWaalsContact O-CB 3.27Å; D439-R443 WeakPolarHBondContact O-CB 3.32Å; D439-R443 PolarHBondContact O-N 3.29Å; I440-R443 CarbonylContact O-C 3.6Å; I440-R443 WeakPolarHBondContact O-CA 3.28Å; I440-R443 WeakPolarHBondContact O-CB 3.48Å; I440-R443 PolarHBondContact O-N 3.25Å; I440-R443 VanDerWaalsContact O-N 3.08Å; E441-R443 VanDerWaalsContact C-N 3.28Å; E441-R443 PolarHBondContact O-N 3.12Å; R443-R446 PolarHBondContact O-N 3.38Å; R443-Y447 HydrophobicContact CG-CD2 4.03Å; R443-Y447 HydrophobicContact CG-CE2 3.65Å; R443-Y447 WeakPolarHBondContact O-CD2 3.39Å; R443-Y447 PolarHBondContact O-N 3.02Å
444E73.7Confident72.8Confident86 Ų86120 Ų12040%0.40252%0.522SS..Hα-helixtrans-60.9-43.4174.5-76.2-168.7-171.700111.8I440 E441 R446 Y447 R448I440-E444 HydrophobicContact CG2-CG 4.35Å; I440-E444 WeakPolarHBondContact O-CG 3.34Å; I440-E444 PolarHBondContact O-N 3.35Å; E441-E444 PolarHBondContact O-N 3.23Å; E444-R446 VanDerWaalsContact C-N 3.32Å; E444-R446 PolarHBondContact O-N 3.39Å; E444-Y447 PolarHBondContact O-N 3.04Å; E444-Y447 VanDerWaalsContact O-N 3.14Å; E444-R448 WeakPolarHBondContact O-CB 3.39Å; E444-R448 WeakPolarHBondContact O-CG 3.43Å; E444-R448 PolarHBondContact O-N 3.47Å; E444-R448 IonicContact OE2-CZ 3.75Å; E444-R448 IonicContact OE2-NH2 3.34Å; E444-R448 PolarHBondContact OE2-NH2 3.43Å
445Q75.1Confident73.3Confident131 Ų131114.9 Ų114.961%0.61251%0.506SS*.Hα-helixtrans-61.1-41.9177.5-167.4174.56.900111.2E441 R448 M449E441-Q445 VanDerWaalsContact O-CB 3.3Å; E441-Q445 WeakPolarHBondContact O-CB 3.41Å; E441-Q445 PolarHBondContact O-N 3.2Å; Q445-R448 PolarHBondContact O-N 3.44Å; Q445-M449 WeakPolarHBondContact O-CB 3.41Å; Q445-M449 VanDerWaalsContact O-CG 3.3Å; Q445-M449 WeakPolarHBondContact O-CG 3.45Å; Q445-M449 PolarHBondContact O-N 3.05Å
446R67.3Low73.9Confident130 Ų130112.2 Ų112.249%0.49150%0.5SS..Hα-helixtrans-61.1-43.2172.4-76.1179.6-72.2-161.41.8112.3R442 R443 E444 M449 R450R442-R446 WeakPolarHBondContact O-CG 3.32Å; R442-R446 PolarHBondContact O-N 3.23Å; R442-R446 PolarHBondContact O-NE 3.27Å; R443-R446 PolarHBondContact O-N 3.38Å; E444-R446 VanDerWaalsContact C-N 3.32Å; E444-R446 PolarHBondContact O-N 3.39Å; R446-M449 PolarHBondContact O-N 2.85Å; R446-R450 WeakPolarHBondContact O-CG 3.5Å; R446-R450 PolarHBondContact O-N 2.83Å
447Y70.7Confident74.3Confident126 Ų126108.3 Ų108.349%0.49449%0.488SS..Hα-helixtrans-65.6-42.2175.9-76.4-58.5000112.6R443 E444 M449 R450 A451R443-Y447 HydrophobicContact CG-CD2 4.03Å; R443-Y447 HydrophobicContact CG-CE2 3.65Å; R443-Y447 WeakPolarHBondContact O-CD2 3.39Å; R443-Y447 PolarHBondContact O-N 3.02Å; E444-Y447 PolarHBondContact O-N 3.04Å; E444-Y447 VanDerWaalsContact O-N 3.14Å; Y447-M449 PolarHBondContact O-N 3.16Å; Y447-R450 PolarHBondContact O-N 3.48Å; Y447-A451 WeakPolarHBondContact O-CB 3.27Å; Y447-A451 PolarHBondContact O-N 2.93Å
448R80.6Confident74.7Confident161 Ų161108.7 Ų108.761%0.60849%0.49SS*.Hα-helixtrans-60.5-44175.6-71.5177.2-164.3175.98.6111.2E444 Q445 A451 L452E444-R448 WeakPolarHBondContact O-CB 3.39Å; E444-R448 WeakPolarHBondContact O-CG 3.43Å; E444-R448 PolarHBondContact O-N 3.47Å; E444-R448 IonicContact OE2-CZ 3.75Å; E444-R448 IonicContact OE2-NH2 3.34Å; E444-R448 PolarHBondContact OE2-NH2 3.43Å; Q445-R448 PolarHBondContact O-N 3.44Å; R448-A451 PolarHBondContact O-N 3.45Å; R448-L452 WeakPolarHBondContact O-CG 3.27Å; R448-L452 PolarHBondContact O-N 2.82Å
449M72.1Confident75.4Confident122 Ų122109.2 Ų109.260%0.60149%0.488SS*.Hα-helixtrans-62.4-45.8176.2-73-62-67.600112.1Q445 R446 Y447 A451 L452 E453Q445-M449 WeakPolarHBondContact O-CB 3.41Å; Q445-M449 VanDerWaalsContact O-CG 3.3Å; Q445-M449 WeakPolarHBondContact O-CG 3.45Å; Q445-M449 PolarHBondContact O-N 3.05Å; R446-M449 PolarHBondContact O-N 2.85Å; Y447-M449 PolarHBondContact O-N 3.16Å; M449-A451 VanDerWaalsContact C-N 3.32Å; M449-A451 PolarHBondContact O-N 3.29Å; M449-L452 PolarHBondContact O-N 3.13Å; M449-E453 WeakPolarHBondContact O-CB 3.28Å; M449-E453 PolarHBondContact O-N 3.38Å
450R71.8Confident76Confident140 Ų140106.2 Ų106.253%0.52847%0.472SS..Hα-helixtrans-62.6-37.7175.7-72.8176.6-178.6175-0112.6R446 Y447 E453 K454R446-R450 WeakPolarHBondContact O-CG 3.5Å; R446-R450 PolarHBondContact O-N 2.83Å; Y447-R450 PolarHBondContact O-N 3.48Å; R450-E453 PolarHBondContact O-N 3.38Å; R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 PolarHBondContact O-N 3.14Å
451A77.1Confident76.4Confident60 Ų60106.8 Ų106.850%0.49647%0.471SS..Hα-helixtrans-65.5-46.317700000111.7Y447 R448 M449 E453 K454 E455Y447-A451 WeakPolarHBondContact O-CB 3.27Å; Y447-A451 PolarHBondContact O-N 2.93Å; R448-A451 PolarHBondContact O-N 3.45Å; M449-A451 VanDerWaalsContact C-N 3.32Å; M449-A451 PolarHBondContact O-N 3.29Å; A451-E453 VanDerWaalsContact C-N 3.33Å; A451-E453 PolarHBondContact O-N 3.45Å; A451-K454 PolarHBondContact O-N 3.03Å; A451-E455 WeakPolarHBondContact O-CB 3.41Å; A451-E455 PolarHBondContact O-N 3.34Å
452L80.2Confident77Confident90 Ų90107.4 Ų107.447%0.47147%0.474SS..Hα-helixtrans-61.2-40.8175.2-72.7171.9000112R448 M449 E455 K456R448-L452 WeakPolarHBondContact O-CG 3.27Å; R448-L452 PolarHBondContact O-N 2.82Å; M449-L452 PolarHBondContact O-N 3.13Å; L452-E455 PolarHBondContact O-N 3.46Å; L452-K456 WeakPolarHBondContact O-CG 3.05Å; L452-K456 PolarHBondContact O-N 2.89Å
453E74.5Confident77.7Confident54 Ų54108 Ų10825%0.25248%0.477SS..Hα-helixtrans-66.5-42.3177.9-167.262.3-165.900111.7M449 R450 A451 E455 K456 Q457 R561M449-E453 WeakPolarHBondContact O-CB 3.28Å; M449-E453 PolarHBondContact O-N 3.38Å; R450-E453 PolarHBondContact O-N 3.38Å; A451-E453 VanDerWaalsContact C-N 3.33Å; A451-E453 PolarHBondContact O-N 3.45Å; E453-E455 VanDerWaalsContact C-N 3.34Å; E453-E455 PolarHBondContact O-N 3.08Å; E453-K456 WeakPolarHBondContact O-CB 3.25Å; E453-K456 PolarHBondContact O-N 3.28Å; E453-K456 IonicContact OE2-NZ 3.42Å; E453-Q457 WeakPolarHBondContact O-CG 3.46Å; E453-Q457 PolarHBondContact O-N 3.48Å; E453-R561 IonicContact OE1-NH2 2.72Å; E453-R561 PolarHBondContact OE1-NH2 3.28Å
454K78.1Confident78.3Confident129 Ų129101 Ų10156%0.56145%0.45SS*.Hα-helixtrans-61.4-42.5174.4-171.6-178.4176.5-171.10111.7R450 A451 Q457 E458R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 PolarHBondContact O-N 3.14Å; A451-K454 PolarHBondContact O-N 3.03Å; K454-Q457 PolarHBondContact O-N 2.95Å; K454-E458 VanDerWaalsContact CE-OE1 3.31Å; K454-E458 WeakPolarHBondContact CE-OE1 3.44Å; K454-E458 WeakPolarHBondContact O-CG 3.42Å; K454-E458 PolarHBondContact O-N 3.34Å
455E83.2Confident78.7Confident87 Ų87105.4 Ų105.441%0.40746%0.463SS..Hα-helixtrans-62.5-43.4175.8-169.5-167.1155.600111.7A451 L452 E453 Q457 E458 K459A451-E455 WeakPolarHBondContact O-CB 3.41Å; A451-E455 PolarHBondContact O-N 3.34Å; L452-E455 PolarHBondContact O-N 3.46Å; E453-E455 VanDerWaalsContact C-N 3.34Å; E453-E455 PolarHBondContact O-N 3.08Å; E455-Q457 PolarHBondContact O-N 3.04Å; E455-E458 PolarHBondContact O-N 2.95Å; E455-K459 HydrophobicContact CG-CD 4.41Å; E455-K459 WeakPolarHBondContact O-CB 3.36Å; E455-K459 WeakPolarHBondContact O-CG 3.42Å; E455-K459 PolarHBondContact O-N 3.37Å; E455-K459 WeakPolarHBondContact OE1-CE 3.33Å; E455-K459 IonicContact OE1-NZ 3.85Å; E455-K459 PolarHBondContact OE1-NZ 3.34Å
456K82.4Confident79.2Confident134 Ų134104.7 Ų104.758%0.58346%0.46SS*.Hα-helixtrans-59.7-44.9173.5-75.2176.5-176.4174.80111.6L452 E453 K459 L460L452-K456 WeakPolarHBondContact O-CG 3.05Å; L452-K456 PolarHBondContact O-N 2.89Å; E453-K456 WeakPolarHBondContact O-CB 3.25Å; E453-K456 PolarHBondContact O-N 3.28Å; E453-K456 IonicContact OE2-NZ 3.42Å; K456-K459 PolarHBondContact O-N 3.22Å; K456-L460 WeakPolarHBondContact O-CB 3.24Å; K456-L460 PolarHBondContact O-N 3.02Å
457Q77.4Confident79.7Confident62 Ų62100 Ų10029%0.2944%0.444SS..Hα-helixtrans-64-40.3177.6-75.4-174.21.500112.3E453 K454 E455 L460 K461E453-Q457 WeakPolarHBondContact O-CG 3.46Å; E453-Q457 PolarHBondContact O-N 3.48Å; K454-Q457 PolarHBondContact O-N 2.95Å; E455-Q457 PolarHBondContact O-N 3.04Å; Q457-L460 PolarHBondContact O-N 2.8Å; Q457-K461 WeakPolarHBondContact O-CB 3.38Å; Q457-K461 VanDerWaalsContact O-CG 3.29Å; Q457-K461 WeakPolarHBondContact O-CG 3.37Å; Q457-K461 PolarHBondContact O-N 2.84Å
458E84.5Confident80.1Confident109 Ų10999.2 Ų99.251%0.50944%0.44SS..Hα-helixtrans-65.2-45.3175.9-77.2177.9-177.300111.4K454 E455 L460 K461 E462K454-E458 VanDerWaalsContact CE-OE1 3.31Å; K454-E458 WeakPolarHBondContact CE-OE1 3.44Å; K454-E458 WeakPolarHBondContact O-CG 3.42Å; K454-E458 PolarHBondContact O-N 3.34Å; E455-E458 PolarHBondContact O-N 2.95Å; E458-L460 VanDerWaalsContact C-N 3.33Å; E458-L460 PolarHBondContact O-N 3.49Å; E458-K461 PolarHBondContact O-N 3.43Å; E458-E462 WeakPolarHBondContact O-CB 3.3Å; E458-E462 PolarHBondContact O-N 2.94Å
459K86.7Confident80.3Confident100 Ų10094.4 Ų94.444%0.43543%0.434SS..Hα-helixtrans-59.4-40.6173.9-78.2173.4170.4167.90112.7E455 K456 E462 R463E455-K459 HydrophobicContact CG-CD 4.41Å; E455-K459 WeakPolarHBondContact O-CB 3.36Å; E455-K459 WeakPolarHBondContact O-CG 3.42Å; E455-K459 PolarHBondContact O-N 3.37Å; E455-K459 WeakPolarHBondContact OE1-CE 3.33Å; E455-K459 IonicContact OE1-NZ 3.85Å; E455-K459 PolarHBondContact OE1-NZ 3.34Å; K456-K459 PolarHBondContact O-N 3.22Å; K459-E462 PolarHBondContact O-N 3.27Å; K459-R463 WeakPolarHBondContact O-CG 3.44Å; K459-R463 PolarHBondContact O-N 2.88Å
460L80.2Confident80.8Confident33 Ų3394.3 Ų94.317%0.17343%0.427CS..Hα-helixtrans-66-44.5176.9-171.172.3000111.3K456 Q457 E458 E462 R463 A464 L500 Q503 L504 E507K456-L460 WeakPolarHBondContact O-CB 3.24Å; K456-L460 PolarHBondContact O-N 3.02Å; Q457-L460 PolarHBondContact O-N 2.8Å; E458-L460 VanDerWaalsContact C-N 3.33Å; E458-L460 PolarHBondContact O-N 3.49Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.47Å; L460-R463 PolarHBondContact O-N 3.3Å; L460-A464 PolarHBondContact O-N 3.02Å; L460-L500 HydrophobicContact CD1-CD1 3.45Å; L460-L500 VanDerWaalsContact CD1-CD1 3.45Å; L460-L500 HydrophobicContact CG-CD1 4.13Å; L460-Q503 HydrophobicContact CD1-CG 4.08Å; L460-Q503 HydrophobicContact CD2-CB 4.43Å; L460-Q503 HydrophobicContact CD2-CG 3.74Å; L460-L504 HydrophobicContact CD2-CD1 4.48Å; L460-E507 HydrophobicContact CD2-CG 3.88Å
461K80.4Confident80.7Confident94 Ų9490 Ų9041%0.40941%0.411SS..Hα-helixtrans-63.5-39176-75.2170.9-177.5170.30112.2Q457 E458 A464 R465 L504Q457-K461 WeakPolarHBondContact O-CB 3.38Å; Q457-K461 VanDerWaalsContact O-CG 3.29Å; Q457-K461 WeakPolarHBondContact O-CG 3.37Å; Q457-K461 PolarHBondContact O-N 2.84Å; E458-K461 PolarHBondContact O-N 3.43Å; K461-A464 PolarHBondContact O-N 3.1Å; K461-R465 WeakPolarHBondContact O-CG 3.46Å; K461-R465 PolarHBondContact O-N 2.65Å; K461-L504 HydrophobicContact CG-CD1 3.91Å
462E87.3Confident80.7Confident109 Ų10992.9 Ų92.951%0.50942%0.416SS..Hα-helixtrans-62.5-51.3175.2-175.6171.3-143.600110.9E458 K459 L460 A464 R465 E466E458-E462 WeakPolarHBondContact O-CB 3.3Å; E458-E462 PolarHBondContact O-N 2.94Å; K459-E462 PolarHBondContact O-N 3.27Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.47Å; E462-A464 PolarHBondContact O-N 3.06Å; E462-R465 WeakPolarHBondContact O-CB 3.34Å; E462-R465 PolarHBondContact O-N 3.28Å; E462-E466 HydrophobicContact CG-CG 4.47Å; E462-E466 WeakPolarHBondContact O-CG 2.94Å; E462-E466 PolarHBondContact O-N 2.79Å
463R83.5Confident80.8Confident162 Ų16292.8 Ų92.861%0.61141%0.413SS*.Hα-helixtrans-54.5-40.7174-72.9176.6-175.1-173.21.5112.5K459 L460 E466 E467 L500K459-R463 WeakPolarHBondContact O-CG 3.44Å; K459-R463 PolarHBondContact O-N 2.88Å; L460-R463 PolarHBondContact O-N 3.3Å; R463-E466 PolarHBondContact O-N 3.47Å; R463-E467 WeakPolarHBondContact O-CB 3.35Å; R463-E467 PolarHBondContact O-N 3.41Å; R463-L500 HydrophobicContact CB-CD2 4.42Å
464A78.4Confident80.7Confident2 Ų292.2 Ų92.22%0.01741%0.411CS..Hα-helixtrans-66.5-37.8177.500000112.7L460 K461 E462 R468 L500L460-A464 PolarHBondContact O-N 3.02Å; K461-A464 PolarHBondContact O-N 3.1Å; E462-A464 PolarHBondContact O-N 3.06Å; A464-R468 WeakPolarHBondContact O-CB 3.48Å; A464-R468 WeakPolarHBondContact O-CD 3.42Å; A464-R468 WeakPolarHBondContact O-CG 3.47Å; A464-R468 PolarHBondContact O-N 3.06Å; A464-R468 VanDerWaalsContact O-N 3.12Å; A464-L500 VanDerWaalsContact CA-CD2 3.41Å; A464-L500 HydrophobicContact CB-CD2 3.81Å; A464-L500 HydrophobicContact CB-CG 3.97Å
465R81.9Confident80.7Confident178 Ų17893.5 Ų93.567%0.67241%0.412SS*.Hα-helixtrans-68.6-45.3174.6-71.7171.6-174.6167.41.9111.7K461 E462 R468 A469K461-R465 WeakPolarHBondContact O-CG 3.46Å; K461-R465 PolarHBondContact O-N 2.65Å; E462-R465 WeakPolarHBondContact O-CB 3.34Å; E462-R465 PolarHBondContact O-N 3.28Å; R465-R468 PolarHBondContact O-N 3Å; R465-A469 WeakPolarHBondContact O-CB 3.46Å; R465-A469 PolarHBondContact O-N 3.47Å
466E84.5Confident80.4Confident117 Ų11796 Ų9655%0.54742%0.421SS..Hα-helixtrans-59.8-46.5178.4-72.5-179.516000111.4E462 R463 A469 R470E462-E466 HydrophobicContact CG-CG 4.47Å; E462-E466 WeakPolarHBondContact O-CG 2.94Å; E462-E466 PolarHBondContact O-N 2.79Å; R463-E466 PolarHBondContact O-N 3.47Å; E466-A469 PolarHBondContact O-N 2.97Å; E466-R470 WeakPolarHBondContact O-CB 3.42Å; E466-R470 PolarHBondContact O-N 2.82Å
467E78.2Confident80.1Confident32 Ų3296.6 Ų96.615%0.1542%0.42CS..Hα-helixtrans-69.2-37179.9-172.759.3-155.700111.9R463 R470 R471 L497R463-E467 WeakPolarHBondContact O-CB 3.35Å; R463-E467 PolarHBondContact O-N 3.41Å; E467-R470 PolarHBondContact O-N 2.95Å; E467-R470 IonicContact OE2-NH1 3.25Å; E467-R471 PolarHBondContact O-N 2.93Å; E467-R471 IonicContact OE1-NE 3.99Å; E467-L497 HydrophobicContact CB-CD2 3.83Å; E467-L497 HydrophobicContact CG-CD1 4.4Å; E467-L497 HydrophobicContact CG-CD2 3.27Å; E467-L497 HydrophobicContact CG-CG 3.79Å
468R79.6Confident79.9Confident109 Ų109101.3 Ų101.341%0.41144%0.435SS..Hα-helixtrans-62.5-43.9171.2-74.3172.8-169.1153.54.5111.7A464 R465 R471 M472 D501A464-R468 WeakPolarHBondContact O-CB 3.48Å; A464-R468 WeakPolarHBondContact O-CD 3.42Å; A464-R468 WeakPolarHBondContact O-CG 3.47Å; A464-R468 PolarHBondContact O-N 3.06Å; A464-R468 VanDerWaalsContact O-N 3.12Å; R465-R468 PolarHBondContact O-N 3Å; R468-R471 PolarHBondContact O-N 3.49Å; R468-M472 WeakPolarHBondContact O-CG 3.41Å; R468-M472 PolarHBondContact O-N 3.5Å; R468-D501 IonicContact CZ-OD1 2.77Å; R468-D501 IonicContact NE-OD1 3.04Å; R468-D501 IonicContact NH2-OD1 3.67Å; R468-D501 PolarHBondContact NH2-OD1 3.26Å
469A84Confident79.4Confident59 Ų59104.3 Ų104.349%0.48845%0.449SS..Hα-helixtrans-62.6-42.9175.700000111.5R465 E466 R471 M472 E473R465-A469 WeakPolarHBondContact O-CB 3.46Å; R465-A469 PolarHBondContact O-N 3.47Å; E466-A469 PolarHBondContact O-N 2.97Å; A469-R471 PolarHBondContact O-N 3.18Å; A469-M472 PolarHBondContact O-N 2.64Å; A469-E473 PolarHBondContact O-N 3.18Å
470R82Confident78.8Confident120 Ų120103.3 Ų103.345%0.45346%0.459SS..Hα-helixtrans-59.2-43.3175.4-171-176.8-177.4-175.90.4112E466 E467 E473 M474E466-R470 WeakPolarHBondContact O-CB 3.42Å; E466-R470 PolarHBondContact O-N 2.82Å; E467-R470 PolarHBondContact O-N 2.95Å; E467-R470 IonicContact OE2-NH1 3.25Å; R470-E473 PolarHBondContact O-N 2.88Å; R470-M474 WeakPolarHBondContact O-CB 3.24Å; R470-M474 PolarHBondContact O-N 3.24Å
471R71.1Confident78.1Confident49 Ų49104.6 Ų104.619%0.18548%0.481CS..Hα-helixtrans-67.1-38.7175.5-73.7-158.8-175.1-179.9-2.9112.9E467 R468 A469 E473 M474 R475 N493 D494 L497E467-R471 PolarHBondContact O-N 2.93Å; E467-R471 IonicContact OE1-NE 3.99Å; R468-R471 PolarHBondContact O-N 3.49Å; A469-R471 PolarHBondContact O-N 3.18Å; R471-E473 VanDerWaalsContact C-N 3.35Å; R471-M474 PolarHBondContact O-N 3Å; R471-R475 WeakPolarHBondContact O-CG 3.44Å; R471-R475 PolarHBondContact O-N 3.06Å; R471-N493 PolarHBondContact NH2-O 3.34Å; R471-D494 IonicContact CZ-OD1 2.91Å; R471-D494 IonicContact NH1-OD1 3.95Å; R471-D494 PolarHBondContact NH1-OD1 3.42Å; R471-L497 HydrophobicContact CG-CD1 4.21Å
472M77.3Confident77Confident122 Ų122105.3 Ų105.360%0.60149%0.49SS*.Hα-helixtrans-62.4-43.2174.7-73-63.5-73.300111.4R468 A469 R475 K476R468-M472 WeakPolarHBondContact O-CG 3.41Å; R468-M472 PolarHBondContact O-N 3.5Å; A469-M472 PolarHBondContact O-N 2.64Å; M472-R475 PolarHBondContact O-N 2.82Å; M472-K476 PolarHBondContact O-N 3.41Å
473E82Confident75.5Confident88 Ų88109.7 Ų109.741%0.41151%0.507SS..Hα-helixtrans-64.7-42.4175.3-175.157.2-152.600111.8A469 R470 R471 R475 K476 R477A469-E473 PolarHBondContact O-N 3.18Å; R470-E473 PolarHBondContact O-N 2.88Å; R471-E473 VanDerWaalsContact C-N 3.35Å; E473-R475 PolarHBondContact O-N 3.33Å; E473-K476 WeakPolarHBondContact O-CB 3.26Å; E473-K476 PolarHBondContact O-N 3.19Å; E473-R477 WeakPolarHBondContact O-CG 3.43Å; E473-R477 PolarHBondContact O-N 2.94Å; E473-R477 IonicContact OE1-NE 3.6Å
474M73Confident74.1Confident41 Ų41109.4 Ų109.420%0.20252%0.517CS..Hα-helixtrans-62-40.8175.4-170-169.7-7500112.1R470 R471 R477 R478 L492R470-M474 WeakPolarHBondContact O-CB 3.24Å; R470-M474 PolarHBondContact O-N 3.24Å; R471-M474 PolarHBondContact O-N 3Å; M474-R477 PolarHBondContact O-N 3.45Å; M474-R478 WeakPolarHBondContact O-CG 3.45Å; M474-R478 PolarHBondContact O-N 3.06Å; M474-L492 HydrophobicContact CE-CD1 3.64Å; M474-L492 HydrophobicContact CE-CG 4.35Å
475R76.7Confident72.9Confident157 Ų157112.3 Ų112.359%0.59254%0.541SS*.Hα-helixtrans-63.1-41.7174.3-76.7177.1176.3170.9-0.9111.7R471 M472 E473 R478 Q479R471-R475 WeakPolarHBondContact O-CG 3.44Å; R471-R475 PolarHBondContact O-N 3.06Å; M472-R475 PolarHBondContact O-N 2.82Å; E473-R475 PolarHBondContact O-N 3.33Å; R475-R478 PolarHBondContact O-N 3.35Å; R475-Q479 WeakPolarHBondContact O-CG 3.27Å; R475-Q479 PolarHBondContact O-N 3.26Å
476K78.3Confident71.5Confident139 Ų139107 Ų10760%0.60453%0.531SS*.Hα-helixtrans-62.9-42.2176.5-166.8179.4179.3-175.30111.8M472 E473 Q479 A480M472-K476 PolarHBondContact O-N 3.41Å; E473-K476 WeakPolarHBondContact O-CB 3.26Å; E473-K476 PolarHBondContact O-N 3.19Å; K476-Q479 PolarHBondContact O-N 2.92Å; K476-A480 WeakPolarHBondContact O-CB 3.29Å; K476-A480 PolarHBondContact O-N 3.38Å
477R76.2Confident70Confident147 Ų147107.9 Ų107.956%0.55554%0.539SS*.Hα-helixtrans-63-42.7173.8-71.2-177.7-178.7-168.9-4112.8E473 M474 Q479 A480E473-R477 WeakPolarHBondContact O-CG 3.43Å; E473-R477 PolarHBondContact O-N 2.94Å; E473-R477 IonicContact OE1-NE 3.6Å; M474-R477 PolarHBondContact O-N 3.45Å; R477-Q479 VanDerWaalsContact C-N 3.35Å; R477-Q479 PolarHBondContact O-N 2.91Å; R477-A480 PolarHBondContact O-N 3.04Å
478R72.3Confident68.8Low160 Ų160113.3 Ų113.360%0.60457%0.569SS**Hα-helixtrans-62-40.5174.8-72.3177.5-177.5-176.32.4112.2M474 R475 G481M474-R478 WeakPolarHBondContact O-CG 3.45Å; M474-R478 PolarHBondContact O-N 3.06Å; R475-R478 PolarHBondContact O-N 3.35Å; R478-G481 PolarHBondContact O-N 3.2Å
479Q73Confident67.5Low172 Ų172111 Ų11180%0.80457%0.565SS**Hα-helixtrans-70.7-30.1176.1-73.2176.9-0.500112.9R475 K476 R477 G481R475-Q479 WeakPolarHBondContact O-CG 3.27Å; R475-Q479 PolarHBondContact O-N 3.26Å; K476-Q479 PolarHBondContact O-N 2.92Å; R477-Q479 VanDerWaalsContact C-N 3.35Å; R477-Q479 PolarHBondContact O-N 2.91Å; Q479-G481 PolarHBondContact O-N 2.66Å
480A75.8Confident65.8Low79 Ų79113.4 Ų113.465%0.65357%0.569SS**THydrogen-bonded Turntrans-73.8-0.8176.900000114.1K476 R477 D482K476-A480 WeakPolarHBondContact O-CB 3.29Å; K476-A480 PolarHBondContact O-N 3.38Å; R477-A480 PolarHBondContact O-N 3.04Å; A480-D482 VanDerWaalsContact C-N 3.32Å; A480-D482 PolarHBondContact O-N 3.46Å
481G64.3Low64.2Low61 Ų61112.6 Ų112.663%0.62958%0.577SS**THydrogen-bonded Turntrans73.718.1174.300000114.9R478 Q479 F483R478-G481 PolarHBondContact O-N 3.2Å; Q479-G481 PolarHBondContact O-N 2.66Å; G481-F483 PolarHBondContact O-N 2.86Å; G481-F483 VanDerWaalsContact O-N 3.1Å
482D58.1Low63.2Low109 Ų109112.8 Ų112.858%0.58358%0.581SS**  trans-81.192-179.4-155.23.9000110.3A480 L484A480-D482 VanDerWaalsContact C-N 3.32Å; A480-D482 PolarHBondContact O-N 3.46Å; D482-L484 PolarHBondContact O-N 3.41Å; D482-L484 VanDerWaalsContact O-N 3.15Å
483F54.5Low61.9Low201 Ų201111 Ų11188%0.88257%0.574SS**  trans-76.915.7-174.9-170.5-103.9000113.8G481G481-F483 PolarHBondContact O-N 2.86Å; G481-F483 VanDerWaalsContact O-N 3.1Å
484L55.4Low60.4Low156 Ų156111.6 Ų111.682%0.81758%0.58SS**  trans-105.930178.6-63-179.9000113.5D482 S486D482-L484 PolarHBondContact O-N 3.41Å; D482-L484 VanDerWaalsContact O-N 3.15Å; L484-S486 PolarHBondContact O-N 3.49Å
485A53.6Low59.5Low62 Ų62118.6 Ų118.651%0.51260%0.604SS.*  trans-73.4106.5166.500000108.9
486S51.9Low58.5Low66 Ų66113.4 Ų113.446%0.46259%0.592SS.*  trans-45.3138.7170.841.60000110.7L484 D488 D489L484-S486 PolarHBondContact O-N 3.49Å; S486-D488 PolarHBondContact O-N 2.92Å; S486-D489 PolarHBondContact O-N 2.87Å
487N52.6Low57.4Low137 Ų137107.4 Ų107.473%0.73357%0.566SS**G310 helixtrans-52.4-15.9-178.9-77.8-39.9000114.2
488D53.2Low56.8Low145 Ų145104.3 Ų104.378%0.77556%0.561SS**G310 helixtrans-73.2-21175.6-61.4-34.3000114.1S486S486-D488 PolarHBondContact O-N 2.92Å
489D51.5Low56.8Low62 Ų62103.1 Ų103.133%0.33256%0.562SS.*G310 helixtrans-84.9-10.3-179.5-87.4-30.5000113.9S486 V491S486-D489 PolarHBondContact O-N 2.87Å; D489-V491 PolarHBondContact O-N 3.42Å
490I49.7Very low56.6Low109 Ų10996.3 Ų96.356%0.55953%0.531SS*.G310 helixtrans-77.4-11.8-174.8-61.8175.9000111.7
491V48.8Very low56.3Low102 Ų10295 Ų9562%0.61851%0.513SS*.G310 helixtrans-117.940.4-173.5-158.10000112.6D489 N493D489-V491 PolarHBondContact O-N 3.42Å; V491-N493 PolarHBondContact O-N 3.4Å
492L50.2Low56.7Low54 Ų5497 Ų9728%0.28351%0.509SS..  trans-74.289.2152.3-69.1-179.5000107.7M474 D494M474-L492 HydrophobicContact CE-CD1 3.64Å; M474-L492 HydrophobicContact CE-CG 4.35Å; L492-D494 PolarHBondContact O-N 3.37Å
493N48.8Very low57.5Low84 Ų8495.3 Ų95.345%0.44950%0.497SS..  trans-48.4122.1-174.7-121.4-14.1000110.5R471 V491 R495 S496R471-N493 PolarHBondContact NH2-O 3.34Å; V491-N493 PolarHBondContact O-N 3.4Å; N493-R495 HydrophobicContact CB-CB 4.23Å; N493-R495 PolarHBondContact O-N 3.28Å; N493-S496 PolarHBondContact O-N 2.97Å; N493-S496 PolarHBondContact O-OG 3.48Å; N493-S496 VanDerWaalsContact O-OG 3.05Å
494D50.9Low58.5Low100 Ų10088 Ų8854%0.53547%0.467SS..Hα-helixtrans-49.7-27.4172.8-16836.5000112.4R471 L492 S496 L497 N498R471-D494 IonicContact CZ-OD1 2.91Å; R471-D494 IonicContact NH1-OD1 3.95Å; R471-D494 PolarHBondContact NH1-OD1 3.42Å; L492-D494 PolarHBondContact O-N 3.37Å; D494-S496 PolarHBondContact O-N 2.86Å; D494-L497 PolarHBondContact O-N 3.41Å; D494-N498 PolarHBondContact O-N 3.25Å
495R53.2Low59.4Low188 Ų18887.2 Ų87.271%0.70946%0.459SS*.Hα-helixtrans-53.2-40.8172.1-63.1-175.9178.1178.9-0114.8N493 N498 E499N493-R495 HydrophobicContact CB-CB 4.23Å; N493-R495 PolarHBondContact O-N 3.28Å; R495-N498 PolarHBondContact O-N 3.45Å; R495-E499 WeakPolarHBondContact O-CB 3.27Å; R495-E499 PolarHBondContact O-N 2.72Å
496S55.8Low60.8Low48 Ų4886.5 Ų86.534%0.33645%0.447SS..Hα-helixtrans-71.8-30.9-175.362.70000112.9N493 D494 L500N493-S496 PolarHBondContact O-N 2.97Å; N493-S496 PolarHBondContact O-OG 3.48Å; N493-S496 VanDerWaalsContact O-OG 3.05Å; D494-S496 PolarHBondContact O-N 2.86Å; S496-L500 WeakPolarHBondContact O-CB 3.24Å; S496-L500 PolarHBondContact O-N 2.93Å
497L56.2Low62.2Low13 Ų1384.7 Ų84.77%0.06843%0.431CS..Hα-helixtrans-74.2-41.4171.9-90.3-158.6000112E467 R471 D494 E499 L500 D501E467-L497 HydrophobicContact CB-CD2 3.83Å; E467-L497 HydrophobicContact CG-CD1 4.4Å; E467-L497 HydrophobicContact CG-CD2 3.27Å; E467-L497 HydrophobicContact CG-CG 3.79Å; R471-L497 HydrophobicContact CG-CD1 4.21Å; D494-L497 PolarHBondContact O-N 3.41Å; L497-E499 PolarHBondContact O-N 3.4Å; L497-L500 HydrophobicContact CD2-CD2 4.44Å; L497-L500 PolarHBondContact O-N 3.29Å; L497-L500 VanDerWaalsContact O-N 3.17Å; L497-D501 WeakPolarHBondContact O-CB 3.23Å; L497-D501 PolarHBondContact O-N 3.07Å
498N63.2Low63.5Low82 Ų8285 Ų8544%0.43943%0.426SS..Hα-helixtrans-58-40.6172.1-71.8-26.4000110.5D494 R495 I502D494-N498 PolarHBondContact O-N 3.25Å; R495-N498 PolarHBondContact O-N 3.45Å; N498-I502 WeakPolarHBondContact O-CB 3.25Å; N498-I502 VanDerWaalsContact O-CD1 3.24Å; N498-I502 WeakPolarHBondContact O-CD1 3.49Å; N498-I502 WeakPolarHBondContact O-CG1 3.45Å; N498-I502 PolarHBondContact O-N 3.18Å
499E72.2Confident65.2Low135 Ų13578.9 Ų78.963%0.63139%0.393SS*.Hα-helixtrans-62.9-43.1175.6-174.9172.5-169.500112.6R495 L497 Q503R495-E499 WeakPolarHBondContact O-CB 3.27Å; R495-E499 PolarHBondContact O-N 2.72Å; L497-E499 PolarHBondContact O-N 3.4Å; E499-Q503 WeakPolarHBondContact O-CB 3.48Å; E499-Q503 PolarHBondContact O-N 2.98Å
500L69.9Low66.9Low30 Ų3076.2 Ų76.216%0.15738%0.378CS..Hα-helixtrans-71.8-37.4179.9-169.456.8000112.9L460 R463 A464 S496 L497 Q503 L504L460-L500 HydrophobicContact CD1-CD1 3.45Å; L460-L500 VanDerWaalsContact CD1-CD1 3.45Å; L460-L500 HydrophobicContact CG-CD1 4.13Å; R463-L500 HydrophobicContact CB-CD2 4.42Å; A464-L500 VanDerWaalsContact CA-CD2 3.41Å; A464-L500 HydrophobicContact CB-CD2 3.81Å; A464-L500 HydrophobicContact CB-CG 3.97Å; S496-L500 WeakPolarHBondContact O-CB 3.24Å; S496-L500 PolarHBondContact O-N 2.93Å; L497-L500 HydrophobicContact CD2-CD2 4.44Å; L497-L500 PolarHBondContact O-N 3.29Å; L497-L500 VanDerWaalsContact O-N 3.17Å; L500-Q503 PolarHBondContact O-N 3.39Å; L500-L504 WeakPolarHBondContact O-CB 2.95Å; L500-L504 PolarHBondContact O-N 2.83Å
501D67.8Low68.6Low50 Ų5072.1 Ų72.127%0.26736%0.363SS..Hα-helixtrans-68.1-43.2173.7-71.2-34.4000110.6R468 L497 Q503 L504 E505R468-D501 IonicContact CZ-OD1 2.77Å; R468-D501 IonicContact NE-OD1 3.04Å; R468-D501 IonicContact NH2-OD1 3.67Å; R468-D501 PolarHBondContact NH2-OD1 3.26Å; L497-D501 WeakPolarHBondContact O-CB 3.23Å; L497-D501 PolarHBondContact O-N 3.07Å; D501-Q503 VanDerWaalsContact C-N 3.33Å; D501-Q503 PolarHBondContact O-N 3.28Å; D501-L504 PolarHBondContact O-N 2.78Å; D501-E505 WeakPolarHBondContact O-CG 3.29Å; D501-E505 PolarHBondContact O-N 3.37Å
502I73.1Confident70.4Confident104 Ų10470.3 Ų70.353%0.53335%0.348SS..Hα-helixtrans-59.3-44.3172.1-71.5163.3000110.5N498 L504 E505 L506N498-I502 WeakPolarHBondContact O-CB 3.25Å; N498-I502 VanDerWaalsContact O-CD1 3.24Å; N498-I502 WeakPolarHBondContact O-CD1 3.49Å; N498-I502 WeakPolarHBondContact O-CG1 3.45Å; N498-I502 PolarHBondContact O-N 3.18Å; I502-L504 VanDerWaalsContact C-N 3.31Å; I502-L504 PolarHBondContact O-N 3.33Å; I502-E505 PolarHBondContact O-N 3.17Å; I502-L506 VanDerWaalsContact O-CB 3.29Å; I502-L506 WeakPolarHBondContact O-CB 3.43Å; I502-L506 PolarHBondContact O-N 2.72Å
503Q75.1Confident72.3Confident73 Ų7368.1 Ų68.134%0.34134%0.336SS..Hα-helixtrans-62-41.4177.8-169.967.522.100110.9L460 E499 L500 D501 L506 E507L460-Q503 HydrophobicContact CD1-CG 4.08Å; L460-Q503 HydrophobicContact CD2-CB 4.43Å; L460-Q503 HydrophobicContact CD2-CG 3.74Å; E499-Q503 WeakPolarHBondContact O-CB 3.48Å; E499-Q503 PolarHBondContact O-N 2.98Å; L500-Q503 PolarHBondContact O-N 3.39Å; D501-Q503 VanDerWaalsContact C-N 3.33Å; D501-Q503 PolarHBondContact O-N 3.28Å; Q503-L506 PolarHBondContact O-N 3.33Å; Q503-E507 PolarHBondContact NE2-OE1 3.15Å; Q503-E507 WeakPolarHBondContact O-CB 3.2Å; Q503-E507 VanDerWaalsContact O-CG 3.3Å; Q503-E507 WeakPolarHBondContact O-CG 3.31Å; Q503-E507 PolarHBondContact O-N 3.4Å
504L75Confident74.2Confident47 Ų4767.4 Ų67.425%0.24633%0.33CS..Hα-helixtrans-66.9-39.6178.3-167.669.4000112.2L460 K461 L500 D501 I502 F508L460-L504 HydrophobicContact CD2-CD1 4.48Å; K461-L504 HydrophobicContact CG-CD1 3.91Å; L500-L504 WeakPolarHBondContact O-CB 2.95Å; L500-L504 PolarHBondContact O-N 2.83Å; D501-L504 PolarHBondContact O-N 2.78Å; I502-L504 VanDerWaalsContact C-N 3.31Å; I502-L504 PolarHBondContact O-N 3.33Å; L504-F508 WeakPolarHBondContact O-CB 3.28Å; L504-F508 PolarHBondContact O-N 2.78Å
505E75.9Confident76Confident140 Ų14070.2 Ų70.265%0.65434%0.337SS*.Hα-helixtrans-64-41.4173.2-74.8-176.2177.100111.9D501 I502 F508 M509D501-E505 WeakPolarHBondContact O-CG 3.29Å; D501-E505 PolarHBondContact O-N 3.37Å; I502-E505 PolarHBondContact O-N 3.17Å; E505-F508 PolarHBondContact O-N 3.21Å; E505-M509 WeakPolarHBondContact O-CB 3.44Å; E505-M509 PolarHBondContact O-N 3.49Å
506L82.5Confident77.7Confident48 Ų4862.7 Ų62.725%0.25131%0.311SS..Hα-helixtrans-64.8-48.5178-164.374.3000110.7I502 Q503 F508 M509 Y510I502-L506 VanDerWaalsContact O-CB 3.29Å; I502-L506 WeakPolarHBondContact O-CB 3.43Å; I502-L506 PolarHBondContact O-N 2.72Å; Q503-L506 PolarHBondContact O-N 3.33Å; L506-F508 VanDerWaalsContact C-N 3.3Å; L506-F508 PolarHBondContact O-N 2.75Å; L506-M509 HydrophobicContact CD1-CE 3.51Å; L506-M509 HydrophobicContact CG-CE 4.31Å; L506-M509 WeakPolarHBondContact O-CA 3.32Å; L506-M509 WeakPolarHBondContact O-CB 3.48Å; L506-M509 PolarHBondContact O-N 2.85Å; L506-M509 VanDerWaalsContact O-N 3.09Å; L506-Y510 HydrophobicContact CD1-CE2 4Å; L506-Y510 HydrophobicContact CD2-CE2 4.14Å; L506-Y510 HydrophobicContact CG-CD2 3.95Å; L506-Y510 HydrophobicContact CG-CE2 3.71Å; L506-Y510 VanDerWaalsContact O-CD2 3.22Å; L506-Y510 WeakPolarHBondContact O-CD2 3.2Å; L506-Y510 PolarHBondContact O-N 2.92Å
507E80Confident79.4Confident28 Ų2860.5 Ų60.513%0.13130%0.296CS..Hα-helixtrans-58.4-41.7174.6-72.2-59.4151.200112L460 Q503 M509 Y510 G511 R561L460-E507 HydrophobicContact CD2-CG 3.88Å; Q503-E507 PolarHBondContact NE2-OE1 3.15Å; Q503-E507 WeakPolarHBondContact O-CB 3.2Å; Q503-E507 VanDerWaalsContact O-CG 3.3Å; Q503-E507 WeakPolarHBondContact O-CG 3.31Å; Q503-E507 PolarHBondContact O-N 3.4Å; E507-M509 VanDerWaalsContact C-N 3.32Å; E507-M509 PolarHBondContact O-N 3.33Å; E507-Y510 PolarHBondContact O-N 3.14Å; E507-G511 PolarHBondContact O-N 3.37Å; E507-R561 IonicContact OE2-NH2 3.7Å
508F81.4Confident80.9Confident144 Ų14463.7 Ų63.763%0.63231%0.308SS*.Hα-helixtrans-64.6-36.1175.5179.6-110.1000112.6L504 E505 L506 Q512L504-F508 WeakPolarHBondContact O-CB 3.28Å; L504-F508 PolarHBondContact O-N 2.78Å; E505-F508 PolarHBondContact O-N 3.21Å; L506-F508 VanDerWaalsContact C-N 3.3Å; L506-F508 PolarHBondContact O-N 2.75Å; F508-Q512 HydrophobicContact CZ-CG 4.47Å; F508-Q512 WeakPolarHBondContact O-CG 3.45Å; F508-Q512 PolarHBondContact O-N 3.22Å; F508-Q512 PolarHBondContact O-NE2 3.29Å
509M87.5Confident82.1Confident16 Ų1661.3 Ų61.38%0.07930%0.299CS..Hα-helixtrans-65.7-49.8173178.2-164.570.600111E505 L506 E507 G511 Q512 L513 Y563 N565 K566E505-M509 WeakPolarHBondContact O-CB 3.44Å; E505-M509 PolarHBondContact O-N 3.49Å; L506-M509 HydrophobicContact CD1-CE 3.51Å; L506-M509 HydrophobicContact CG-CE 4.31Å; L506-M509 WeakPolarHBondContact O-CA 3.32Å; L506-M509 WeakPolarHBondContact O-CB 3.48Å; L506-M509 PolarHBondContact O-N 2.85Å; L506-M509 VanDerWaalsContact O-N 3.09Å; E507-M509 VanDerWaalsContact C-N 3.32Å; E507-M509 PolarHBondContact O-N 3.33Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.49Å; M509-Q512 WeakPolarHBondContact O-CB 3.34Å; M509-Q512 PolarHBondContact O-N 3.15Å; M509-L513 HydrophobicContact CE-CD1 4.39Å; M509-L513 HydrophobicContact CG-CD1 4.15Å; M509-L513 HydrophobicContact CG-CG 4.29Å; M509-L513 WeakPolarHBondContact O-CG 3.41Å; M509-L513 PolarHBondContact O-N 3.39Å; M509-Y563 WeakPolarHBondContact CE-O 3.16Å; M509-N565 VanDerWaalsContact SD-C 3.57Å; M509-N565 VanDerWaalsContact SD-CA 3.55Å; M509-K566 HydrophobicContact CG-CG 3.72Å; M509-K566 HydrophobicContact SD-CG 4.05Å
510Y88.5Confident82.9Confident5 Ų555 Ų552%0.0227%0.27CS..Hα-helixtrans-56.5-42.3178.6-86.6-78.2000112.2L506 E507 Q512 L513 E514 L558 R561 E562 Y563L506-Y510 HydrophobicContact CD1-CE2 4Å; L506-Y510 HydrophobicContact CD2-CE2 4.14Å; L506-Y510 HydrophobicContact CG-CD2 3.95Å; L506-Y510 HydrophobicContact CG-CE2 3.71Å; L506-Y510 VanDerWaalsContact O-CD2 3.22Å; L506-Y510 WeakPolarHBondContact O-CD2 3.2Å; L506-Y510 PolarHBondContact O-N 2.92Å; E507-Y510 PolarHBondContact O-N 3.14Å; Y510-Q512 VanDerWaalsContact C-N 3.28Å; Y510-Q512 PolarHBondContact O-N 3.46Å; Y510-L513 PolarHBondContact O-N 2.83Å; Y510-E514 WeakPolarHBondContact O-CB 3.42Å; Y510-E514 PolarHBondContact O-N 3.46Å; Y510-L558 HydrophobicContact CD1-CD1 3.48Å; Y510-L558 VanDerWaalsContact CD1-CD1 3.48Å; Y510-L558 HydrophobicContact CD1-CG 4.09Å; Y510-L558 HydrophobicContact CE1-CD1 3.81Å; Y510-L558 HydrophobicContact CE1-CG 4.45Å; Y510-L558 WeakPolarHBondContact CE1-O 3.47Å; Y510-R561 HydrophobicContact CE1-CB 4.39Å; Y510-R561 HydrophobicContact CE2-CB 4.38Å; Y510-R561 WeakPolarHBondContact OH-CA 3.35Å; Y510-R561 PolarHBondContact OH-O 3.18Å; Y510-R561 VanDerWaalsContact OH-O 3.09Å; Y510-E562 PolarHBondContact OH-N 2.9Å; Y510-Y563 HydrophobicContact CE1-CD2 4.49Å; Y510-Y563 WeakPolarHBondContact OH-CA 3.43Å; Y510-Y563 PolarHBondContact OH-N 3.32Å; Y510-Y563 PolarHBondContact OH-O 3.13Å
511G84.4Confident83.8Confident23 Ų2356.1 Ų56.124%0.23727%0.273CS..Hα-helixtrans-65.7-25.6175.500000114.6E507 M509 K515E507-G511 PolarHBondContact O-N 3.37Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.49Å; G511-K515 WeakPolarHBondContact O-CG 3.43Å
512Q87.2Confident84.7Confident65 Ų6561.2 Ų61.230%0.30430%0.295SS..Hα-helixtrans-77.1-42.9171.5-74.6166.790.100111.6F508 M509 Y510 E514 K515 L516F508-Q512 HydrophobicContact CZ-CG 4.47Å; F508-Q512 WeakPolarHBondContact O-CG 3.45Å; F508-Q512 PolarHBondContact O-N 3.22Å; F508-Q512 PolarHBondContact O-NE2 3.29Å; M509-Q512 WeakPolarHBondContact O-CB 3.34Å; M509-Q512 PolarHBondContact O-N 3.15Å; Y510-Q512 VanDerWaalsContact C-N 3.28Å; Y510-Q512 PolarHBondContact O-N 3.46Å; Q512-E514 VanDerWaalsContact C-N 3.34Å; Q512-K515 PolarHBondContact O-N 3.46Å; Q512-L516 PolarHBondContact O-N 3.37Å
513L89.8Confident85Confident7 Ų758.6 Ų58.64%0.03728%0.282CS..Hα-helixtrans-64.4-38.9178.9-63.9-177000111.5M509 Y510 K515 L516 L517 L558 Y563 K566 F569M509-L513 HydrophobicContact CE-CD1 4.39Å; M509-L513 HydrophobicContact CG-CD1 4.15Å; M509-L513 HydrophobicContact CG-CG 4.29Å; M509-L513 WeakPolarHBondContact O-CG 3.41Å; M509-L513 PolarHBondContact O-N 3.39Å; Y510-L513 PolarHBondContact O-N 2.83Å; L513-K515 PolarHBondContact O-N 2.9Å; L513-L516 PolarHBondContact O-N 2.94Å; L513-L517 WeakPolarHBondContact O-CB 3.15Å; L513-L517 PolarHBondContact O-N 3.49Å; L513-L558 HydrophobicContact CB-CD1 3.53Å; L513-L558 HydrophobicContact CD1-CD1 4.01Å; L513-L558 HydrophobicContact CG-CD1 4.43Å; L513-Y563 HydrophobicContact CD1-CD2 4.42Å; L513-K566 HydrophobicContact CD2-CG 4.37Å; L513-F569 HydrophobicContact CB-CD2 4.3Å; L513-F569 HydrophobicContact CB-CE2 4.35Å; L513-F569 HydrophobicContact CD1-CB 4.02Å; L513-F569 HydrophobicContact CD1-CD2 4.16Å; L513-F569 HydrophobicContact CD1-CG 4.19Å; L513-F569 HydrophobicContact CD2-CB 4.01Å; L513-F569 HydrophobicContact CD2-CD1 3.82Å; L513-F569 HydrophobicContact CD2-CD2 4.18Å; L513-F569 HydrophobicContact CD2-CE1 4.34Å; L513-F569 HydrophobicContact CD2-CG 3.74Å; L513-F569 HydrophobicContact CG-CD2 4.44Å; L513-F569 HydrophobicContact CG-CG 4.41Å
514E89.1Confident85.2Confident70 Ų7062 Ų6233%0.32730%0.303SS..Hα-helixtrans-58.8-47.1174.7-173.5-178.4-16700111.7Y510 Q512 L516 L517 Y518 L558Y510-E514 WeakPolarHBondContact O-CB 3.42Å; Y510-E514 PolarHBondContact O-N 3.46Å; Q512-E514 VanDerWaalsContact C-N 3.34Å; E514-L516 VanDerWaalsContact C-N 3.35Å; E514-L516 PolarHBondContact O-N 3.34Å; E514-L517 PolarHBondContact O-N 2.9Å; E514-Y518 HydrophobicContact CG-CD2 3.81Å; E514-Y518 HydrophobicContact CG-CE2 3.53Å; E514-Y518 WeakPolarHBondContact O-CD2 3.48Å; E514-Y518 PolarHBondContact O-N 3.2Å; E514-L558 HydrophobicContact CB-CD2 3.89Å; E514-L558 HydrophobicContact CG-CD2 4.38Å
515K88.1Confident85.4Confident158 Ų15862.4 Ų62.469%0.68731%0.305SS*.Hα-helixtrans-61.8-42.3176.4-70.9175.8-177.5-175.80112.4G511 Q512 L513 Y518 A519G511-K515 WeakPolarHBondContact O-CG 3.43Å; Q512-K515 PolarHBondContact O-N 3.46Å; L513-K515 PolarHBondContact O-N 2.9Å; K515-Y518 PolarHBondContact O-N 2.98Å; K515-A519 WeakPolarHBondContact O-CB 3.34Å; K515-A519 PolarHBondContact O-N 3.36Å
516L90.1Very high86Confident31 Ų3155.7 Ų55.716%0.16227%0.274CS..Hα-helixtrans-64.5-43.6178.5-177.761000111.1Q512 L513 E514 A519 L520 F569 L602 F603Q512-L516 PolarHBondContact O-N 3.37Å; L513-L516 PolarHBondContact O-N 2.94Å; E514-L516 VanDerWaalsContact C-N 3.35Å; E514-L516 PolarHBondContact O-N 3.34Å; L516-A519 PolarHBondContact O-N 2.8Å; L516-L520 HydrophobicContact CG-CD1 4.44Å; L516-L520 WeakPolarHBondContact O-CG 3.34Å; L516-L520 PolarHBondContact O-N 3.14Å; L516-F569 HydrophobicContact CD2-CD1 4.39Å; L516-F569 HydrophobicContact CD2-CE1 3.66Å; L516-F569 HydrophobicContact CD2-CZ 4.39Å; L516-F569 HydrophobicContact CG-CE1 4.26Å; L516-L602 HydrophobicContact CD1-CB 3.71Å; L516-L602 HydrophobicContact CD1-CD1 3.94Å; L516-L602 HydrophobicContact CD1-CG 4.42Å; L516-F603 HydrophobicContact CD1-CE2 4.12Å; L516-F603 HydrophobicContact CD1-CZ 4.33Å; L516-F603 HydrophobicContact CD2-CZ 4.41Å
517L91.1Very high86.2Confident2 Ų261.8 Ų61.81%0.0129%0.294CS..Hα-helixtrans-61.8-45176.7-179.164.1000111.9L513 E514 A519 L520 K521 L551 I554 E555 L558 F569L513-L517 WeakPolarHBondContact O-CB 3.15Å; L513-L517 PolarHBondContact O-N 3.49Å; E514-L517 PolarHBondContact O-N 2.9Å; L517-A519 PolarHBondContact O-N 3.47Å; L517-L520 WeakPolarHBondContact O-CB 3.43Å; L517-L520 PolarHBondContact O-N 3.16Å; L517-K521 HydrophobicContact CG-CD 4.39Å; L517-K521 WeakPolarHBondContact O-CG 3.5Å; L517-K521 PolarHBondContact O-N 3.41Å; L517-L551 HydrophobicContact CD1-CB 4.33Å; L517-L551 HydrophobicContact CD1-CD2 3.92Å; L517-I554 HydrophobicContact CD1-CB 4.43Å; L517-I554 HydrophobicContact CD1-CG2 3.89Å; L517-E555 HydrophobicContact CD2-CB 3.71Å; L517-E555 HydrophobicContact CD2-CG 3.92Å; L517-L558 HydrophobicContact CD2-CD2 4.01Å; L517-F569 HydrophobicContact CB-CZ 4.39Å
518Y87.9Confident86.5Confident80 Ų8062.6 Ų62.631%0.31430%0.301SS..Hα-helixtrans-62.3-42.9175.9-80.7-59.6000112.1E514 K515 L520 K521 E522E514-Y518 HydrophobicContact CG-CD2 3.81Å; E514-Y518 HydrophobicContact CG-CE2 3.53Å; E514-Y518 WeakPolarHBondContact O-CD2 3.48Å; E514-Y518 PolarHBondContact O-N 3.2Å; K515-Y518 PolarHBondContact O-N 2.98Å; Y518-L520 VanDerWaalsContact C-N 3.28Å; Y518-L520 PolarHBondContact O-N 3.49Å; Y518-K521 PolarHBondContact O-N 3.28Å; Y518-E522 WeakPolarHBondContact O-CG 3.09Å; Y518-E522 PolarHBondContact O-N 3.45Å
519A87Confident87Confident31 Ų3157.2 Ų57.226%0.25628%0.278SS..Hα-helixtrans-62.4-34.9175.500000112.7K515 L516 L517 L602K515-A519 WeakPolarHBondContact O-CB 3.34Å; K515-A519 PolarHBondContact O-N 3.36Å; L516-A519 PolarHBondContact O-N 2.8Å; L517-A519 PolarHBondContact O-N 3.47Å; A519-L602 HydrophobicContact CB-CD1 3.46Å; A519-L602 VanDerWaalsContact CB-CD1 3.46Å
520L88.6Confident87.2Confident3 Ų358.8 Ų58.82%0.01629%0.286CS..Hα-helixtrans-66.5-44173-73.9168.8000111.8L516 L517 Y518 E522 N523 A526 L551 I573 F597 F603L516-L520 HydrophobicContact CG-CD1 4.44Å; L516-L520 WeakPolarHBondContact O-CG 3.34Å; L516-L520 PolarHBondContact O-N 3.14Å; L517-L520 WeakPolarHBondContact O-CB 3.43Å; L517-L520 PolarHBondContact O-N 3.16Å; Y518-L520 VanDerWaalsContact C-N 3.28Å; Y518-L520 PolarHBondContact O-N 3.49Å; L520-E522 VanDerWaalsContact C-N 3.33Å; L520-E522 PolarHBondContact O-N 3.34Å; L520-N523 WeakPolarHBondContact O-CB 3.32Å; L520-N523 PolarHBondContact O-N 2.8Å; L520-A526 WeakPolarHBondContact O-CB 3.37Å; L520-L551 HydrophobicContact CB-CD2 4.35Å; L520-L551 HydrophobicContact CD1-CD2 4.39Å; L520-I573 HydrophobicContact CD1-CD1 3.59Å; L520-F597 HydrophobicContact CD2-CD1 4.41Å; L520-F597 HydrophobicContact CD2-CE1 3.78Å; L520-F597 HydrophobicContact CD2-CZ 4.49Å; L520-F603 HydrophobicContact CD1-CZ 4.36Å; L520-F603 HydrophobicContact CD2-CE2 3.9Å; L520-F603 HydrophobicContact CD2-CZ 4.23Å
521K89.3Confident87.3Confident53 Ų5365.1 Ų65.123%0.2332%0.316CS..Hα-helixtrans-68.5-29.3179-70.2-178.373.4150.70113.1L517 Y518 N523 L551 E555L517-K521 HydrophobicContact CG-CD 4.39Å; L517-K521 WeakPolarHBondContact O-CG 3.5Å; L517-K521 PolarHBondContact O-N 3.41Å; Y518-K521 PolarHBondContact O-N 3.28Å; K521-N523 VanDerWaalsContact C-N 3.29Å; K521-L551 HydrophobicContact CD-CB 4.49Å; K521-L551 HydrophobicContact CG-CB 4.18Å; K521-L551 HydrophobicContact CG-CD1 3.84Å; K521-E555 IonicContact NZ-OE2 3.82Å; K521-E555 PolarHBondContact NZ-OE2 3.21Å
522E86.6Confident87.7Confident157 Ų15766.9 Ų66.973%0.73432%0.323SS*.THydrogen-bonded Turntrans-77-11.2176.8-76.5-179173.700113.7Y518 L520 N524Y518-E522 WeakPolarHBondContact O-CG 3.09Å; Y518-E522 PolarHBondContact O-N 3.45Å; L520-E522 VanDerWaalsContact C-N 3.33Å; L520-E522 PolarHBondContact O-N 3.34Å; E522-N524 PolarHBondContact O-N 3.43Å
523N80.9Confident87.8Confident49 Ų4965.7 Ų65.726%0.26232%0.32SS..SBendtrans-67.9132.7177.3-168.6-15.2000110.4L520 K521 D525 A526 F597L520-N523 WeakPolarHBondContact O-CB 3.32Å; L520-N523 PolarHBondContact O-N 2.8Å; K521-N523 VanDerWaalsContact C-N 3.29Å; N523-D525 PolarHBondContact O-N 3.17Å; N523-D525 VanDerWaalsContact O-N 3.09Å; N523-D525 PolarHBondContact OD1-N 3.38Å; N523-A526 HydrophobicContact CB-CB 4.25Å; N523-A526 WeakPolarHBondContact O-CB 3.35Å; N523-A526 PolarHBondContact O-N 3.38Å; N523-F597 HydrophobicContact CB-CE2 3.99Å; N523-F597 HydrophobicContact CB-CZ 4.3Å
524N79.3Confident87.7Confident146 Ų14668.1 Ų68.178%0.78134%0.335SS*.G310 helixtrans-56.1-30-179.4-70.4-20000113E522 A526E522-N524 PolarHBondContact O-N 3.43Å; N524-A526 VanDerWaalsContact C-N 3.3Å
525D79Confident87.4Confident54 Ų5470.5 Ų70.529%0.28935%0.347SS..G310 helixtrans-86.93.9179.9-65.4-29.9000112.9N523 P528 R596 F597N523-D525 PolarHBondContact O-N 3.17Å; N523-D525 VanDerWaalsContact O-N 3.09Å; N523-D525 PolarHBondContact OD1-N 3.38Å; D525-P528 VanDerWaalsContact O-CD 3.31Å; D525-P528 WeakPolarHBondContact O-CD 3.22Å; D525-R596 WeakPolarHBondContact OD2-CB 3.46Å; D525-F597 HydrophobicContact CB-CD2 3.89Å; D525-F597 HydrophobicContact CB-CE2 4.15Å
526A87.9Confident87.2Confident0 Ų069.3 Ų69.30%035%0.348CS..G310 helixtrans-81.2-21.7-171.900000113.7L520 N523 N524 P528 F529 I530 L551 F597L520-A526 WeakPolarHBondContact O-CB 3.37Å; N523-A526 HydrophobicContact CB-CB 4.25Å; N523-A526 WeakPolarHBondContact O-CB 3.35Å; N523-A526 PolarHBondContact O-N 3.38Å; N524-A526 VanDerWaalsContact C-N 3.3Å; A526-P528 VanDerWaalsContact C-N 3.29Å; A526-P528 WeakPolarHBondContact O-CD 3.2Å; A526-P528 VanDerWaalsContact O-N 3.08Å; A526-F529 WeakPolarHBondContact O-CA 3.47Å; A526-F529 WeakPolarHBondContact O-CB 3.47Å; A526-F529 PolarHBondContact O-N 3.19Å; A526-I530 WeakPolarHBondContact O-CG1 3.42Å; A526-I530 PolarHBondContact O-N 2.74Å; A526-L551 HydrophobicContact CB-CD1 4.42Å; A526-F597 VanDerWaalsContact CA-CE2 3.41Å; A526-F597 HydrophobicContact CB-CE2 3.74Å; A526-F597 HydrophobicContact CB-CZ 3.63Å
527W85.8Confident86.6Confident176 Ų17674 Ų7467%0.66737%0.372SS*.G310 helixtrans-50.4-34.2-171.471.2-92.7000115.6F529 F593W527-F529 PolarHBondContact O-N 2.7Å; W527-F593 HydrophobicContact CZ2-CZ 4.19Å
528P87.1Confident86Confident44 Ų4474.2 Ų74.229%0.28637%0.374SS..G310 helixtrans-74-13.6176.9-13.230000114.2D525 A526 F593D525-P528 VanDerWaalsContact O-CD 3.31Å; D525-P528 WeakPolarHBondContact O-CD 3.22Å; A526-P528 VanDerWaalsContact C-N 3.29Å; A526-P528 WeakPolarHBondContact O-CD 3.2Å; A526-P528 VanDerWaalsContact O-N 3.08Å; P528-F593 HydrophobicContact CG-CE1 4.05Å; P528-F593 HydrophobicContact CG-CZ 4.39Å
529F92.7Very high85.8Confident31 Ų3174.2 Ų74.214%0.13638%0.383CS..G310 helixtrans-107.4-2.9-175.7-54.9-80.2000112.6A526 W527 L551 M576 C580 F597A526-F529 WeakPolarHBondContact O-CA 3.47Å; A526-F529 WeakPolarHBondContact O-CB 3.47Å; A526-F529 PolarHBondContact O-N 3.19Å; W527-F529 PolarHBondContact O-N 2.7Å; F529-L551 HydrophobicContact CB-CD1 4.23Å; F529-L551 HydrophobicContact CB-CG 4.3Å; F529-L551 WeakPolarHBondContact O-CB 3.47Å; F529-L551 WeakPolarHBondContact O-CG 3.4Å; F529-L551 PolarHBondContact O-N 2.79Å; F529-M576 HydrophobicContact CB-SD 3.81Å; F529-M576 HydrophobicContact CD1-CE 4.49Å; F529-M576 HydrophobicContact CD1-CG 3.84Å; F529-M576 HydrophobicContact CD1-SD 4.07Å; F529-M576 HydrophobicContact CG-SD 4.28Å; F529-C580 HydrophobicContact CE1-CB 3.96Å; F529-F597 HydrophobicContact CD2-CE2 4.5Å
530I90.8Very high85.8Confident49 Ų4976.3 Ų76.325%0.25139%0.39SS..SBendtrans-70.4-49.9-174.3-66.7178.9000111.1A526 L551 E552A526-I530 WeakPolarHBondContact O-CG1 3.42Å; A526-I530 PolarHBondContact O-N 2.74Å; I530-L551 HydrophobicContact CG1-CD1 4.45Å; I530-E552 WeakPolarHBondContact O-CB 3.48Å; I530-E552 PolarHBondContact O-N 3.1Å
531E90.1Very high85.7Confident138 Ų13876.7 Ų76.765%0.64539%0.392SS*.SBendtrans-106.7154.1-175.1-61.8-179.2172.600110.7
532P93.5Very high85.8Confident61 Ų6178.7 Ų78.740%0.39640%0.401SS..  trans-57.4138.3174.5-22.731.4000112.4T534 D550 E552P532-T534 PolarHBondContact O-N 3.04Å; P532-D550 WeakPolarHBondContact CG-OD2 3.41Å; P532-E552 WeakPolarHBondContact CD-OE2 3.25Å
533V89.7Confident86Confident39 Ų3977 Ų7724%0.23639%0.393CS..  trans-64.8131178.1-179.60000110.4A538 Y541 F542V533-A538 HydrophobicContact CG1-CB 3.49Å; V533-A538 VanDerWaalsContact CG1-CB 3.49Å; V533-Y541 HydrophobicContact CB-CD1 4.1Å; V533-Y541 HydrophobicContact CB-CE1 3.94Å; V533-Y541 HydrophobicContact CB-CG 4.46Å; V533-Y541 HydrophobicContact CG1-CD1 3.91Å; V533-Y541 HydrophobicContact CG1-CD2 3.95Å; V533-Y541 HydrophobicContact CG1-CE1 4.16Å; V533-Y541 HydrophobicContact CG1-CE2 4.2Å; V533-Y541 HydrophobicContact CG1-CG 3.8Å; V533-Y541 HydrophobicContact CG2-CE1 4.19Å; V533-Y541 HydrophobicContact CG2-CE2 4.29Å; V533-F542 VanDerWaalsContact O-CZ 3.22Å; V533-F542 WeakPolarHBondContact O-CZ 3.47Å
534T87.3Confident86.2Confident58 Ų5880.4 Ų80.436%0.35641%0.405SS..  trans-106.3155.2175.358.60000111.4P532 D536 I537 A538P532-T534 PolarHBondContact O-N 3.04Å; T534-D536 VanDerWaalsContact C-N 3.26Å; T534-D536 WeakPolarHBondContact CB-OD1 3.26Å; T534-D536 PolarHBondContact O-N 3.2Å; T534-D536 PolarHBondContact OG1-OD1 3.37Å; T534-I537 PolarHBondContact O-N 3.12Å; T534-I537 VanDerWaalsContact O-N 3.15Å; T534-I537 WeakPolarHBondContact OG1-CD1 3.4Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.34Å; T534-A538 PolarHBondContact O-N 2.87Å
535E83.5Confident86.6Confident121 Ų12173.6 Ų73.657%0.56537%0.369SS*.THydrogen-bonded Turntrans-68.2-23.5-173.1-168.2167.2-160.300113.6A538E535-A538 CarbonylContact O-C 3.41Å
536D83Confident87.3Confident133 Ų13379.1 Ų79.171%0.71139%0.39SS*.THydrogen-bonded Turntrans-70.4-32173.260-56.1000112.8T534T534-D536 VanDerWaalsContact C-N 3.26Å; T534-D536 WeakPolarHBondContact CB-OD1 3.26Å; T534-D536 PolarHBondContact O-N 3.2Å; T534-D536 PolarHBondContact OG1-OD1 3.37Å
537I77.8Confident87.6Confident129 Ų12984.6 Ų84.666%0.66241%0.414SS*.THydrogen-bonded Turntrans-83.2-39.2177.9-59.7173.9000110.4T534T534-I537 PolarHBondContact O-N 3.12Å; T534-I537 VanDerWaalsContact O-N 3.15Å; T534-I537 WeakPolarHBondContact OG1-CD1 3.4Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.34Å
538A79.3Confident88.1Confident7 Ų778.9 Ų78.96%0.05840%0.399CS..SBendtrans-130.689.7-176.800000110.9V533 T534 E535 N540 Y541 Y583V533-A538 HydrophobicContact CG1-CB 3.49Å; V533-A538 VanDerWaalsContact CG1-CB 3.49Å; T534-A538 PolarHBondContact O-N 2.87Å; E535-A538 CarbonylContact O-C 3.41Å; A538-N540 PolarHBondContact O-N 3.33Å; A538-Y541 HydrophobicContact CB-CD2 3.9Å; A538-Y541 HydrophobicContact CB-CG 4.11Å; A538-Y541 VanDerWaalsContact O-CB 3.22Å; A538-Y541 WeakPolarHBondContact O-CB 3.41Å; A538-Y541 PolarHBondContact O-N 3.49Å; A538-Y541 VanDerWaalsContact O-N 3.14Å; A538-Y583 VanDerWaalsContact C-OH 3.23Å; A538-Y583 WeakPolarHBondContact CA-OH 3.43Å; A538-Y583 HydrophobicContact CB-CE1 3.8Å; A538-Y583 WeakPolarHBondContact CB-OH 3.32Å
539P83.6Confident88.4Confident79 Ų7977.5 Ų77.551%0.51339%0.39SS..THydrogen-bonded Turntrans-58.9132.6179.5-25.534.9000112.3Y541 Y583P539-Y541 PolarHBondContact O-N 3.26Å; P539-Y583 PolarHBondContact O-OH 2.85Å
540N85.2Confident88.6Confident75 Ų7576.4 Ų76.440%0.40139%0.385SS..THydrogen-bonded Turntrans63.815.7-177.9-49.6-22000114.7A538 F542 E543 F544A538-N540 PolarHBondContact O-N 3.33Å; N540-F542 VanDerWaalsContact C-N 3.31Å; N540-F542 PolarHBondContact O-N 3.36Å; N540-E543 HydrophobicContact CB-CB 4.33Å; N540-E543 HydrophobicContact CB-CG 4.14Å; N540-E543 WeakPolarHBondContact O-CB 3.49Å; N540-E543 PolarHBondContact O-N 3.01Å; N540-F544 HydrophobicContact CB-CD2 4.41Å; N540-F544 HydrophobicContact CB-CE2 3.98Å; N540-F544 VanDerWaalsContact O-CD2 3.24Å; N540-F544 WeakPolarHBondContact O-CD2 3.33Å; N540-F544 PolarHBondContact O-N 3.41Å
541Y87.6Confident88.8Confident12 Ų1274.1 Ų74.15%0.04737%0.373CS..Hα-helixtrans-52.2-47.4-178.3-173.9-98.9000113.1V533 A538 P539 E543 F544 I545 P548 Y583V533-Y541 HydrophobicContact CB-CD1 4.1Å; V533-Y541 HydrophobicContact CB-CE1 3.94Å; V533-Y541 HydrophobicContact CB-CG 4.46Å; V533-Y541 HydrophobicContact CG1-CD1 3.91Å; V533-Y541 HydrophobicContact CG1-CD2 3.95Å; V533-Y541 HydrophobicContact CG1-CE1 4.16Å; V533-Y541 HydrophobicContact CG1-CE2 4.2Å; V533-Y541 HydrophobicContact CG1-CG 3.8Å; V533-Y541 HydrophobicContact CG2-CE1 4.19Å; V533-Y541 HydrophobicContact CG2-CE2 4.29Å; A538-Y541 HydrophobicContact CB-CD2 3.9Å; A538-Y541 HydrophobicContact CB-CG 4.11Å; A538-Y541 VanDerWaalsContact O-CB 3.22Å; A538-Y541 WeakPolarHBondContact O-CB 3.41Å; A538-Y541 PolarHBondContact O-N 3.49Å; A538-Y541 VanDerWaalsContact O-N 3.14Å; P539-Y541 PolarHBondContact O-N 3.26Å; Y541-E543 PolarHBondContact O-N 2.92Å; Y541-F544 PolarHBondContact O-N 2.88Å; Y541-I545 HydrophobicContact CD1-CB 4.17Å; Y541-I545 HydrophobicContact CD1-CG1 4.4Å; Y541-I545 HydrophobicContact CD2-CG1 4.16Å; Y541-I545 HydrophobicContact CE1-CB 3.82Å; Y541-I545 HydrophobicContact CE1-CG1 4.03Å; Y541-I545 HydrophobicContact CE1-CG2 3.87Å; Y541-I545 HydrophobicContact CE2-CB 4.48Å; Y541-I545 HydrophobicContact CE2-CG1 3.77Å; Y541-I545 HydrophobicContact CG-CG1 4.46Å; Y541-I545 WeakPolarHBondContact O-CB 3.38Å; Y541-I545 PolarHBondContact O-N 2.97Å; Y541-P548 HydrophobicContact CE1-CB 4.27Å; Y541-Y583 AromaticContact CD2-CD1 3.82Å; Y541-Y583 HydrophobicContact CD2-CD1 3.82Å; Y541-Y583 AromaticContact CD2-CD2 3.47Å; Y541-Y583 HydrophobicContact CD2-CD2 3.47Å; Y541-Y583 VanDerWaalsContact CD2-CD2 3.47Å; Y541-Y583 HydrophobicContact CD2-CE1 4.1Å; Y541-Y583 AromaticContact CD2-CE2 3.79Å; Y541-Y583 HydrophobicContact CD2-CE2 3.79Å; Y541-Y583 AromaticContact CD2-CG 3.48Å; Y541-Y583 HydrophobicContact CD2-CG 3.48Å; Y541-Y583 VanDerWaalsContact CD2-CG 3.48Å; Y541-Y583 HydrophobicContact CE2-CD1 4.12Å; Y541-Y583 HydrophobicContact CE2-CD2 4.17Å; Y541-Y583 AromaticContact CE2-CG 3.78Å; Y541-Y583 HydrophobicContact CE2-CG 3.78Å; Y541-Y583 HydrophobicContact CG-CD2 4.27Å; Y541-Y583 HydrophobicContact CG-CE2 4.36Å
542F91.4Very high89Confident95 Ų9572.2 Ų72.242%0.41736%0.364SS..Hα-helixtrans-75.1-10.5-178.7-55.9-70.7000114.1V533 N540 P548V533-F542 VanDerWaalsContact O-CZ 3.22Å; V533-F542 WeakPolarHBondContact O-CZ 3.47Å; N540-F542 VanDerWaalsContact C-N 3.31Å; N540-F542 PolarHBondContact O-N 3.36Å; F542-P548 HydrophobicContact CD1-CG 4.46Å; F542-P548 HydrophobicContact CE1-CB 4.17Å; F542-P548 HydrophobicContact CE1-CG 4.07Å
543E89.9Confident89.1Confident122 Ų12271.6 Ų71.657%0.5736%0.359SS*.Hα-helixtrans-73.8-39.3170.3-59.5-168.4160.800110.7N540 Y541 K546N540-E543 HydrophobicContact CB-CB 4.33Å; N540-E543 HydrophobicContact CB-CG 4.14Å; N540-E543 WeakPolarHBondContact O-CB 3.49Å; N540-E543 PolarHBondContact O-N 3.01Å; Y541-E543 PolarHBondContact O-N 2.92Å; E543-K546 PolarHBondContact O-NZ 3.46Å
544F84.8Confident89.4Confident120 Ų12069.7 Ų69.753%0.52635%0.348SS..Hα-helixtrans-85.5-51.5177.7-60.7-76.1000111.8N540 Y541 Y583N540-F544 HydrophobicContact CB-CD2 4.41Å; N540-F544 HydrophobicContact CB-CE2 3.98Å; N540-F544 VanDerWaalsContact O-CD2 3.24Å; N540-F544 WeakPolarHBondContact O-CD2 3.33Å; N540-F544 PolarHBondContact O-N 3.41Å; Y541-F544 PolarHBondContact O-N 2.88Å; F544-Y583 HydrophobicContact CD2-CD2 4.25Å; F544-Y583 HydrophobicContact CD2-CE2 4.29Å
545I89Confident89.8Confident2 Ų269 Ų691%0.0134%0.341CS..  trans-90.8112.9-173-56.9-50.9000110.8Y541 N579 E582Y541-I545 HydrophobicContact CD1-CB 4.17Å; Y541-I545 HydrophobicContact CD1-CG1 4.4Å; Y541-I545 HydrophobicContact CD2-CG1 4.16Å; Y541-I545 HydrophobicContact CE1-CB 3.82Å; Y541-I545 HydrophobicContact CE1-CG1 4.03Å; Y541-I545 HydrophobicContact CE1-CG2 3.87Å; Y541-I545 HydrophobicContact CE2-CB 4.48Å; Y541-I545 HydrophobicContact CE2-CG1 3.77Å; Y541-I545 HydrophobicContact CG-CG1 4.46Å; Y541-I545 WeakPolarHBondContact O-CB 3.38Å; Y541-I545 PolarHBondContact O-N 2.97Å; I545-N579 HydrophobicContact CD1-CB 4.13Å; I545-N579 HydrophobicContact CG1-CB 4.35Å; I545-N579 HydrophobicContact CG2-CB 3.9Å; I545-N579 WeakPolarHBondContact CG2-OD1 3.04Å; I545-E582 HydrophobicContact CD1-CB 3.84Å; I545-E582 HydrophobicContact CD1-CG 3.83Å
546K93.6Very high90.3Very high170 Ų17065.4 Ų65.474%0.73933%0.332SS*.SBendtrans-84-27.7-176.5-57.8-50.1-175.1-163.80114.5E543E543-K546 PolarHBondContact O-NZ 3.46Å
547K94.1Very high90.9Very high115 Ų11561.2 Ų61.250%0.531%0.308SS..SBendtrans-131.182.9-178.6-167.1-173163.3-156.40109D572 L575 N579K547-D572 IonicContact NZ-OD1 3.5Å; K547-D572 PolarHBondContact NZ-OD1 3.12Å; K547-L575 HydrophobicContact CB-CD1 4.44Å; K547-L575 HydrophobicContact CB-CD2 4.14Å; K547-L575 HydrophobicContact CD-CD2 3.42Å; K547-L575 VanDerWaalsContact CD-CD2 3.42Å; K547-L575 VanDerWaalsContact CE-CD2 3.46Å; K547-L575 HydrophobicContact CG-CD2 3.7Å; K547-N579 PolarHBondContact O-ND2 2.81Å
548P95.2Very high91.6Very high56 Ų5655.2 Ų55.236%0.36428%0.277SS..  trans-60150.1177.827.2-35.6000111Y541 F542Y541-P548 HydrophobicContact CE1-CB 4.27Å; F542-P548 HydrophobicContact CD1-CG 4.46Å; F542-P548 HydrophobicContact CE1-CB 4.17Å; F542-P548 HydrophobicContact CE1-CG 4.07Å
549M95.4Very high92Very high16 Ų1659.1 Ų59.18%0.07930%0.295CS..  trans-156141.2178.3-169.754.95900110.4T553 I554 D572 L575 M576M549-T553 HydrophobicContact CE-CG2 4.1Å; M549-T553 HydrophobicContact SD-CG2 3.69Å; M549-I554 HydrophobicContact CG-CD1 4.12Å; M549-I554 HydrophobicContact CG-CG1 4.16Å; M549-I554 HydrophobicContact SD-CD1 4.3Å; M549-I554 HydrophobicContact SD-CG1 3.66Å; M549-D572 HydrophobicContact CE-CB 4.2Å; M549-D572 HydrophobicContact CG-CB 3.96Å; M549-D572 VanDerWaalsContact CG-O 3.27Å; M549-D572 WeakPolarHBondContact CG-O 3.17Å; M549-D572 HydrophobicContact SD-CB 3.98Å; M549-L575 HydrophobicContact CB-CB 4.44Å; M549-L575 HydrophobicContact CB-CD2 3.96Å; M549-L575 HydrophobicContact CB-CG 4.02Å; M549-L575 HydrophobicContact CE-CD2 4.26Å; M549-L575 HydrophobicContact CG-CD2 4.48Å; M549-M576 HydrophobicContact CB-CB 4.11Å; M549-M576 HydrophobicContact CG-CB 4.12Å; M549-M576 WeakPolarHBondContact O-CG 3.25Å
550D95.3Very high92.3Very high8 Ų860.7 Ų60.74%0.04330%0.299CS..  trans-154.2168.2-174.162.286.6000110P532 E552 T553 I554P532-D550 WeakPolarHBondContact CG-OD2 3.41Å; D550-E552 PolarHBondContact O-N 3.38Å; D550-E552 WeakPolarHBondContact OD1-CA 3.5Å; D550-E552 WeakPolarHBondContact OD1-CB 3.21Å; D550-E552 PolarHBondContact OD1-N 3.44Å; D550-T553 VanDerWaalsContact CG-OG1 3.3Å; D550-T553 PolarHBondContact O-N 3.36Å; D550-T553 PolarHBondContact OD1-N 3.16Å; D550-T553 PolarHBondContact OD1-OG1 2.64Å; D550-T553 WeakPolarHBondContact OD2-CB 3.47Å; D550-T553 PolarHBondContact OD2-OG1 2.92Å; D550-I554 VanDerWaalsContact O-CG1 3.3Å; D550-I554 WeakPolarHBondContact O-CG1 3.19Å; D550-I554 PolarHBondContact O-N 3.03Å
551L95.2Very high92.5Very high0 Ų061.5 Ų61.50%030%0.296CS..Hα-helixtrans-70.8-29.2-174.1-63.2173.6000113.2L517 L520 K521 A526 F529 I530 E555 I573 M576L517-L551 HydrophobicContact CD1-CB 4.33Å; L517-L551 HydrophobicContact CD1-CD2 3.92Å; L520-L551 HydrophobicContact CB-CD2 4.35Å; L520-L551 HydrophobicContact CD1-CD2 4.39Å; K521-L551 HydrophobicContact CD-CB 4.49Å; K521-L551 HydrophobicContact CG-CB 4.18Å; K521-L551 HydrophobicContact CG-CD1 3.84Å; A526-L551 HydrophobicContact CB-CD1 4.42Å; F529-L551 HydrophobicContact CB-CD1 4.23Å; F529-L551 HydrophobicContact CB-CG 4.3Å; F529-L551 WeakPolarHBondContact O-CB 3.47Å; F529-L551 WeakPolarHBondContact O-CG 3.4Å; F529-L551 PolarHBondContact O-N 2.79Å; I530-L551 HydrophobicContact CG1-CD1 4.45Å; L551-E555 WeakPolarHBondContact O-CB 3.36Å; L551-E555 PolarHBondContact O-N 2.88Å; L551-I573 HydrophobicContact CD2-CD1 4.15Å; L551-M576 HydrophobicContact CD2-CE 4Å; L551-M576 HydrophobicContact CD2-SD 3.97Å; L551-M576 HydrophobicContact CG-SD 4Å
552E94.4Very high92.7Very high98 Ų9865.3 Ų65.346%0.45832%0.315SS..Hα-helixtrans-69.8-42.1174.1-178.6175.7-165.700111.2I530 P532 D550 I554 E555 A556I530-E552 WeakPolarHBondContact O-CB 3.48Å; I530-E552 PolarHBondContact O-N 3.1Å; P532-E552 WeakPolarHBondContact CD-OE2 3.25Å; D550-E552 PolarHBondContact O-N 3.38Å; D550-E552 WeakPolarHBondContact OD1-CA 3.5Å; D550-E552 WeakPolarHBondContact OD1-CB 3.21Å; D550-E552 PolarHBondContact OD1-N 3.44Å; E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 2.79Å; E552-E555 WeakPolarHBondContact O-CB 3.35Å; E552-E555 PolarHBondContact O-N 3.13Å; E552-A556 PolarHBondContact O-N 3.06Å
553T96.2Very high92.7Very high48 Ų4860.9 Ų60.929%0.29430%0.295SS..Hα-helixtrans-60.7-43.9171.9-63.80000110.9M549 D550 E555 A556 K557M549-T553 HydrophobicContact CE-CG2 4.1Å; M549-T553 HydrophobicContact SD-CG2 3.69Å; D550-T553 VanDerWaalsContact CG-OG1 3.3Å; D550-T553 PolarHBondContact O-N 3.36Å; D550-T553 PolarHBondContact OD1-N 3.16Å; D550-T553 PolarHBondContact OD1-OG1 2.64Å; D550-T553 WeakPolarHBondContact OD2-CB 3.47Å; D550-T553 PolarHBondContact OD2-OG1 2.92Å; T553-E555 VanDerWaalsContact C-N 3.33Å; T553-E555 PolarHBondContact O-N 3.25Å; T553-A556 PolarHBondContact O-N 2.92Å; T553-K557 WeakPolarHBondContact O-CG 3.26Å; T553-K557 PolarHBondContact O-N 3.42Å
554I96.1Very high92.5Very high0 Ų062.7 Ų62.70%030%0.301CS..Hα-helixtrans-63-39.4175.2-69171.9000111.2L517 M549 D550 E552 K557 L558 F569 D572 I573L517-I554 HydrophobicContact CD1-CB 4.43Å; L517-I554 HydrophobicContact CD1-CG2 3.89Å; M549-I554 HydrophobicContact CG-CD1 4.12Å; M549-I554 HydrophobicContact CG-CG1 4.16Å; M549-I554 HydrophobicContact SD-CD1 4.3Å; M549-I554 HydrophobicContact SD-CG1 3.66Å; D550-I554 VanDerWaalsContact O-CG1 3.3Å; D550-I554 WeakPolarHBondContact O-CG1 3.19Å; D550-I554 PolarHBondContact O-N 3.03Å; E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 2.79Å; I554-K557 PolarHBondContact O-N 3.31Å; I554-L558 WeakPolarHBondContact O-CB 3.31Å; I554-L558 PolarHBondContact O-N 2.99Å; I554-F569 HydrophobicContact CG2-CD2 3.91Å; I554-F569 HydrophobicContact CG2-CE2 3.39Å; I554-F569 HydrophobicContact CG2-CZ 4.12Å; I554-D572 HydrophobicContact CD1-CB 4.14Å; I554-D572 HydrophobicContact CG1-CB 4.08Å; I554-I573 HydrophobicContact CD1-CD1 3.54Å; I554-I573 HydrophobicContact CD1-CG1 4.11Å
555E94.6Very high92.4Very high42 Ų4259.9 Ų59.920%0.19629%0.292CS..Hα-helixtrans-61.1-46.4174.4-167167.4-164.600111.4L517 K521 L551 E552 T553 K557 L558 M559L517-E555 HydrophobicContact CD2-CB 3.71Å; L517-E555 HydrophobicContact CD2-CG 3.92Å; K521-E555 IonicContact NZ-OE2 3.82Å; K521-E555 PolarHBondContact NZ-OE2 3.21Å; L551-E555 WeakPolarHBondContact O-CB 3.36Å; L551-E555 PolarHBondContact O-N 2.88Å; E552-E555 WeakPolarHBondContact O-CB 3.35Å; E552-E555 PolarHBondContact O-N 3.13Å; T553-E555 VanDerWaalsContact C-N 3.33Å; T553-E555 PolarHBondContact O-N 3.25Å; E555-K557 PolarHBondContact O-N 3.32Å; E555-L558 WeakPolarHBondContact O-CB 3.33Å; E555-L558 PolarHBondContact O-N 2.81Å; E555-M559 HydrophobicContact CG-CE 4.42Å; E555-M559 WeakPolarHBondContact O-CG 3.36Å; E555-M559 PolarHBondContact O-N 3.5Å
556A94.1Very high92.3Very high47 Ų4764.2 Ų64.239%0.38831%0.31SS..Hα-helixtrans-60.2-46.7177.500000111.8E552 T553 L558 M559 N560E552-A556 PolarHBondContact O-N 3.06Å; T553-A556 PolarHBondContact O-N 2.92Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.25Å; A556-M559 PolarHBondContact O-N 3.26Å; A556-N560 WeakPolarHBondContact O-CB 3.32Å; A556-N560 VanDerWaalsContact O-CG 3.27Å; A556-N560 PolarHBondContact O-N 2.87Å
557K95.6Very high91.9Very high45 Ų4561.5 Ų61.520%0.19630%0.304CS..Hα-helixtrans-60-37.5175.4-70.4-172.268.7179.20112.7T553 I554 E555 R561 E562 Y563 D572T553-K557 WeakPolarHBondContact O-CG 3.26Å; T553-K557 PolarHBondContact O-N 3.42Å; I554-K557 PolarHBondContact O-N 3.31Å; E555-K557 PolarHBondContact O-N 3.32Å; K557-R561 PolarHBondContact O-N 3.14Å; K557-E562 HydrophobicContact CB-CB 4.3Å; K557-E562 WeakPolarHBondContact CE-OE2 3.44Å; K557-E562 PolarHBondContact O-N 3.25Å; K557-Y563 HydrophobicContact CB-CE2 3.69Å; K557-Y563 HydrophobicContact CD-CE1 4.45Å; K557-D572 WeakPolarHBondContact CE-OD2 3.35Å; K557-D572 IonicContact NZ-OD1 3.61Å; K557-D572 IonicContact NZ-OD2 3.39Å; K557-D572 PolarHBondContact NZ-OD2 3.16Å
558L92.5Very high91.6Very high2 Ų258.3 Ų58.31%0.0129%0.29CS..Hα-helixtrans-67-43.4177.1-171.575.4000111.7Y510 L513 E514 L517 I554 E555 A556 R561 Y563Y510-L558 HydrophobicContact CD1-CD1 3.48Å; Y510-L558 VanDerWaalsContact CD1-CD1 3.48Å; Y510-L558 HydrophobicContact CD1-CG 4.09Å; Y510-L558 HydrophobicContact CE1-CD1 3.81Å; Y510-L558 HydrophobicContact CE1-CG 4.45Å; Y510-L558 WeakPolarHBondContact CE1-O 3.47Å; L513-L558 HydrophobicContact CB-CD1 3.53Å; L513-L558 HydrophobicContact CD1-CD1 4.01Å; L513-L558 HydrophobicContact CG-CD1 4.43Å; E514-L558 HydrophobicContact CB-CD2 3.89Å; E514-L558 HydrophobicContact CG-CD2 4.38Å; L517-L558 HydrophobicContact CD2-CD2 4.01Å; I554-L558 WeakPolarHBondContact O-CB 3.31Å; I554-L558 PolarHBondContact O-N 2.99Å; E555-L558 WeakPolarHBondContact O-CB 3.33Å; E555-L558 PolarHBondContact O-N 2.81Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.25Å; L558-R561 PolarHBondContact O-N 2.9Å; L558-R561 PolarHBondContact O-NH1 3.39Å; L558-Y563 HydrophobicContact CB-CE2 4.21Å; L558-Y563 HydrophobicContact CD1-CD2 4.09Å; L558-Y563 HydrophobicContact CD1-CE2 4.4Å
559M87.9Confident91.5Very high90 Ų9055.7 Ų55.744%0.44327%0.273SS..Hα-helixtrans-67.6-36.4177.5-67.1-62.2164.100112E555 A556 R561E555-M559 HydrophobicContact CG-CE 4.42Å; E555-M559 WeakPolarHBondContact O-CG 3.36Å; E555-M559 PolarHBondContact O-N 3.5Å; A556-M559 PolarHBondContact O-N 3.26Å; M559-R561 PolarHBondContact O-N 3.09Å
560N89.7Confident91.1Very high111 Ų11158 Ų5859%0.59429%0.285SS*.THydrogen-bonded Turntrans-78.1-0.7176.8-69.7-11.5000114.2A556 E562A556-N560 WeakPolarHBondContact O-CB 3.32Å; A556-N560 VanDerWaalsContact O-CG 3.27Å; A556-N560 PolarHBondContact O-N 2.87Å; N560-E562 HydrophobicContact CB-CG 3.85Å; N560-E562 WeakPolarHBondContact CB-OE1 3.25Å; N560-E562 PolarHBondContact ND2-OE1 3.43Å; N560-E562 VanDerWaalsContact ND2-OE1 3.14Å; N560-E562 PolarHBondContact O-N 3.28Å
561R89.1Confident90.9Very high93 Ų9363.5 Ų63.535%0.35131%0.311SS..THydrogen-bonded Turntrans57.843.3-178.5-57.7-68.9-169.9-105.92.1113.6E453 E507 Y510 K557 L558 M559E453-R561 IonicContact OE1-NH2 2.72Å; E453-R561 PolarHBondContact OE1-NH2 3.28Å; E507-R561 IonicContact OE2-NH2 3.7Å; Y510-R561 HydrophobicContact CE1-CB 4.39Å; Y510-R561 HydrophobicContact CE2-CB 4.38Å; Y510-R561 WeakPolarHBondContact OH-CA 3.35Å; Y510-R561 PolarHBondContact OH-O 3.18Å; Y510-R561 VanDerWaalsContact OH-O 3.09Å; K557-R561 PolarHBondContact O-N 3.14Å; L558-R561 PolarHBondContact O-N 2.9Å; L558-R561 PolarHBondContact O-NH1 3.39Å; M559-R561 PolarHBondContact O-N 3.09Å
562E93.2Very high90.8Very high92 Ų9263.7 Ų63.743%0.4331%0.312SS..  trans-85.4-18.8-177-66.8178.9-146.500114.9Y510 K557 N560Y510-E562 PolarHBondContact OH-N 2.9Å; K557-E562 HydrophobicContact CB-CB 4.3Å; K557-E562 WeakPolarHBondContact CE-OE2 3.44Å; K557-E562 PolarHBondContact O-N 3.25Å; N560-E562 HydrophobicContact CB-CG 3.85Å; N560-E562 WeakPolarHBondContact CB-OE1 3.25Å; N560-E562 PolarHBondContact ND2-OE1 3.43Å; N560-E562 VanDerWaalsContact ND2-OE1 3.14Å; N560-E562 PolarHBondContact O-N 3.28Å
563Y89.9Confident90.7Very high1 Ų159.2 Ų59.20%0.00429%0.291CS..  trans-83.1118.9179.4-60.5-63.5000112.1M509 Y510 L513 K557 L558 E568 F569 D572M509-Y563 WeakPolarHBondContact CE-O 3.16Å; Y510-Y563 HydrophobicContact CE1-CD2 4.49Å; Y510-Y563 WeakPolarHBondContact OH-CA 3.43Å; Y510-Y563 PolarHBondContact OH-N 3.32Å; Y510-Y563 PolarHBondContact OH-O 3.13Å; L513-Y563 HydrophobicContact CD1-CD2 4.42Å; K557-Y563 HydrophobicContact CB-CE2 3.69Å; K557-Y563 HydrophobicContact CD-CE1 4.45Å; L558-Y563 HydrophobicContact CB-CE2 4.21Å; L558-Y563 HydrophobicContact CD1-CD2 4.09Å; L558-Y563 HydrophobicContact CD1-CE2 4.4Å; Y563-E568 WeakPolarHBondContact CA-OE2 3.31Å; Y563-E568 HydrophobicContact CD1-CB 3.8Å; Y563-F569 HydrophobicContact CD1-CB 4.11Å; Y563-F569 HydrophobicContact CD2-CD2 4.23Å; Y563-F569 HydrophobicContact CE1-CB 4.17Å; Y563-F569 AromaticContact CE2-CD2 3.82Å; Y563-F569 HydrophobicContact CE2-CD2 3.82Å; Y563-F569 HydrophobicContact CG-CB 4.28Å; Y563-D572 WeakPolarHBondContact CE1-OD2 3.44Å; Y563-D572 PolarHBondContact OH-OD2 3.39Å
564K86Confident90.2Very high160 Ų16060.3 Ų60.370%0.69630%0.295SS*.SBendtrans-82.7-25.5177.9-61.6173.8-171.9162.70112.7E568K564-E568 PolarHBondContact N-OE2 3.42Å
565N83.6Confident90.1Very high62 Ų6261.7 Ų61.733%0.33230%0.302SS..SBendtrans-153.7168.8-178.460.963.3000109.7M509 L567 E568M509-N565 VanDerWaalsContact SD-C 3.57Å; M509-N565 VanDerWaalsContact SD-CA 3.55Å; N565-L567 PolarHBondContact O-N 2.99Å; N565-L567 WeakPolarHBondContact OD1-CA 3.35Å; N565-L567 WeakPolarHBondContact OD1-CB 3.24Å; N565-L567 PolarHBondContact OD1-N 3.13Å; N565-E568 PolarHBondContact O-N 3.31Å; N565-E568 PolarHBondContact OD1-N 3.01Å; N565-E568 VanDerWaalsContact OD1-N 3.07Å
566K86.3Confident89.9Confident92 Ų9260 Ų6040%0.429%0.294SS..Hα-helixtrans-65.6-23.2179.7-61.9-178.1176.2-172.60113.6M509 L513 F569 I570M509-K566 HydrophobicContact CG-CG 3.72Å; M509-K566 HydrophobicContact SD-CG 4.05Å; L513-K566 HydrophobicContact CD2-CG 4.37Å; K566-F569 PolarHBondContact O-N 3.34Å; K566-I570 WeakPolarHBondContact O-CG1 3.32Å; K566-I570 PolarHBondContact O-N 3.47Å; K566-I570 VanDerWaalsContact O-N 3.16Å
567L85.7Confident89.5Confident114 Ų11458.8 Ų58.860%0.59728%0.281SS*.Hα-helixtrans-69.5-41.3-178.5-59.6170.8000110.9N565 F569 I570 E571N565-L567 PolarHBondContact O-N 2.99Å; N565-L567 WeakPolarHBondContact OD1-CA 3.35Å; N565-L567 WeakPolarHBondContact OD1-CB 3.24Å; N565-L567 PolarHBondContact OD1-N 3.13Å; L567-F569 VanDerWaalsContact C-N 3.26Å; L567-F569 PolarHBondContact O-N 3.2Å; L567-I570 CarbonylContact O-C 3.57Å; L567-I570 PolarHBondContact O-N 3.07Å; L567-I570 VanDerWaalsContact O-N 3.08Å; L567-E571 WeakPolarHBondContact O-CG 3.39Å; L567-E571 PolarHBondContact O-N 3.15Å
568E88.6Confident89.1Confident48 Ų4860.5 Ų60.522%0.22429%0.292CS..Hα-helixtrans-60.4-35.6177.4-67.6178.2177.600112.1Y563 K564 N565 D572Y563-E568 WeakPolarHBondContact CA-OE2 3.31Å; Y563-E568 HydrophobicContact CD1-CB 3.8Å; K564-E568 PolarHBondContact N-OE2 3.42Å; N565-E568 PolarHBondContact O-N 3.31Å; N565-E568 PolarHBondContact OD1-N 3.01Å; N565-E568 VanDerWaalsContact OD1-N 3.07Å; E568-D572 PolarHBondContact O-N 3.28Å
569F91.3Very high88.9Confident0 Ų060.7 Ų60.70%029%0.293CS..Hα-helixtrans-66.9-44.8172.7177.8-86.8000111.9L513 L516 L517 I554 Y563 K566 L567 E571 D572 I573L513-F569 HydrophobicContact CB-CD2 4.3Å; L513-F569 HydrophobicContact CB-CE2 4.35Å; L513-F569 HydrophobicContact CD1-CB 4.02Å; L513-F569 HydrophobicContact CD1-CD2 4.16Å; L513-F569 HydrophobicContact CD1-CG 4.19Å; L513-F569 HydrophobicContact CD2-CB 4.01Å; L513-F569 HydrophobicContact CD2-CD1 3.82Å; L513-F569 HydrophobicContact CD2-CD2 4.18Å; L513-F569 HydrophobicContact CD2-CE1 4.34Å; L513-F569 HydrophobicContact CD2-CG 3.74Å; L513-F569 HydrophobicContact CG-CD2 4.44Å; L513-F569 HydrophobicContact CG-CG 4.41Å; L516-F569 HydrophobicContact CD2-CD1 4.39Å; L516-F569 HydrophobicContact CD2-CE1 3.66Å; L516-F569 HydrophobicContact CD2-CZ 4.39Å; L516-F569 HydrophobicContact CG-CE1 4.26Å; L517-F569 HydrophobicContact CB-CZ 4.39Å; I554-F569 HydrophobicContact CG2-CD2 3.91Å; I554-F569 HydrophobicContact CG2-CE2 3.39Å; I554-F569 HydrophobicContact CG2-CZ 4.12Å; Y563-F569 HydrophobicContact CD1-CB 4.11Å; Y563-F569 HydrophobicContact CD2-CD2 4.23Å; Y563-F569 HydrophobicContact CE1-CB 4.17Å; Y563-F569 AromaticContact CE2-CD2 3.82Å; Y563-F569 HydrophobicContact CE2-CD2 3.82Å; Y563-F569 HydrophobicContact CG-CB 4.28Å; K566-F569 PolarHBondContact O-N 3.34Å; L567-F569 VanDerWaalsContact C-N 3.26Å; L567-F569 PolarHBondContact O-N 3.2Å; F569-E571 VanDerWaalsContact C-N 3.29Å; F569-E571 PolarHBondContact O-N 2.54Å; F569-D572 PolarHBondContact O-N 2.87Å; F569-I573 HydrophobicContact CD1-CG1 4.1Å; F569-I573 HydrophobicContact CE1-CD1 4.24Å; F569-I573 HydrophobicContact CE1-CG1 3.72Å; F569-I573 HydrophobicContact CZ-CD1 4.27Å; F569-I573 HydrophobicContact CZ-CG1 4.19Å; F569-I573 WeakPolarHBondContact O-CG1 3.49Å; F569-I573 PolarHBondContact O-N 2.84Å; F569-I573 VanDerWaalsContact O-N 3.08Å
570I88.7Confident88.6Confident65 Ų6558.3 Ų58.333%0.33329%0.285SS..Hα-helixtrans-64.3-35.9177.4-68.1165.4000111K566 L567 I573 N574K566-I570 WeakPolarHBondContact O-CG1 3.32Å; K566-I570 PolarHBondContact O-N 3.47Å; K566-I570 VanDerWaalsContact O-N 3.16Å; L567-I570 CarbonylContact O-C 3.57Å; L567-I570 PolarHBondContact O-N 3.07Å; L567-I570 VanDerWaalsContact O-N 3.08Å; I570-I573 PolarHBondContact O-N 3.42Å; I570-N574 WeakPolarHBondContact O-CB 3.07Å; I570-N574 VanDerWaalsContact O-CG 3.25Å; I570-N574 PolarHBondContact O-N 3.22Å; I570-N574 PolarHBondContact O-ND2 3.15Å
571E90.2Very high88.2Confident123 Ų12357 Ų5758%0.57528%0.277SS*.Hα-helixtrans-61.2-42176-77.5172.8-176.800111.9L567 F569 N574 L575L567-E571 WeakPolarHBondContact O-CG 3.39Å; L567-E571 PolarHBondContact O-N 3.15Å; F569-E571 VanDerWaalsContact C-N 3.29Å; F569-E571 PolarHBondContact O-N 2.54Å; E571-N574 PolarHBondContact O-N 3.26Å; E571-L575 VanDerWaalsContact O-CB 3.27Å; E571-L575 WeakPolarHBondContact O-CB 2.97Å; E571-L575 PolarHBondContact O-N 2.84Å
572D93.9Very high87.8Confident4 Ų458.6 Ų58.62%0.02129%0.289CS..Hα-helixtrans-72.6-37176.5-75.2-23.5000112.5K547 M549 I554 K557 Y563 E568 F569 N574 L575 M576K547-D572 IonicContact NZ-OD1 3.5Å; K547-D572 PolarHBondContact NZ-OD1 3.12Å; M549-D572 HydrophobicContact CE-CB 4.2Å; M549-D572 HydrophobicContact CG-CB 3.96Å; M549-D572 VanDerWaalsContact CG-O 3.27Å; M549-D572 WeakPolarHBondContact CG-O 3.17Å; M549-D572 HydrophobicContact SD-CB 3.98Å; I554-D572 HydrophobicContact CD1-CB 4.14Å; I554-D572 HydrophobicContact CG1-CB 4.08Å; K557-D572 WeakPolarHBondContact CE-OD2 3.35Å; K557-D572 IonicContact NZ-OD1 3.61Å; K557-D572 IonicContact NZ-OD2 3.39Å; K557-D572 PolarHBondContact NZ-OD2 3.16Å; Y563-D572 WeakPolarHBondContact CE1-OD2 3.44Å; Y563-D572 PolarHBondContact OH-OD2 3.39Å; E568-D572 PolarHBondContact O-N 3.28Å; F569-D572 PolarHBondContact O-N 2.87Å; D572-N574 VanDerWaalsContact C-N 3.34Å; D572-L575 WeakPolarHBondContact O-CB 3.41Å; D572-L575 PolarHBondContact O-N 2.89Å; D572-M576 PolarHBondContact O-N 3.19Å
573I91.5Very high87.1Confident4 Ų457.2 Ų57.22%0.02128%0.28CS..Hα-helixtrans-59.9-46.6170.6-66.9-69.7000110.6L520 L551 I554 F569 I570 L575 M576 L577 F603L520-I573 HydrophobicContact CD1-CD1 3.59Å; L551-I573 HydrophobicContact CD2-CD1 4.15Å; I554-I573 HydrophobicContact CD1-CD1 3.54Å; I554-I573 HydrophobicContact CD1-CG1 4.11Å; F569-I573 HydrophobicContact CD1-CG1 4.1Å; F569-I573 HydrophobicContact CE1-CD1 4.24Å; F569-I573 HydrophobicContact CE1-CG1 3.72Å; F569-I573 HydrophobicContact CZ-CD1 4.27Å; F569-I573 HydrophobicContact CZ-CG1 4.19Å; F569-I573 WeakPolarHBondContact O-CG1 3.49Å; F569-I573 PolarHBondContact O-N 2.84Å; F569-I573 VanDerWaalsContact O-N 3.08Å; I570-I573 PolarHBondContact O-N 3.42Å; I573-L575 VanDerWaalsContact C-N 3.33Å; I573-L575 PolarHBondContact O-N 3.09Å; I573-M576 HydrophobicContact CD1-CE 4.19Å; I573-M576 WeakPolarHBondContact O-CB 3.22Å; I573-M576 PolarHBondContact O-N 2.97Å; I573-L577 HydrophobicContact CG2-CD1 3.95Å; I573-L577 VanDerWaalsContact O-CG 3.28Å; I573-L577 WeakPolarHBondContact O-CG 3.4Å; I573-L577 PolarHBondContact O-N 3.39Å; I573-L577 VanDerWaalsContact O-N 3.13Å; I573-F603 HydrophobicContact CG2-CE1 4.45Å; I573-F603 HydrophobicContact CG2-CZ 4.36Å
574N86.8Confident86.5Confident72 Ų7261.3 Ų61.339%0.38530%0.302SS..Hα-helixtrans-64-39.7177-75.8-24.4000111.5I570 E571 D572 L577 L578I570-N574 WeakPolarHBondContact O-CB 3.07Å; I570-N574 VanDerWaalsContact O-CG 3.25Å; I570-N574 PolarHBondContact O-N 3.22Å; I570-N574 PolarHBondContact O-ND2 3.15Å; E571-N574 PolarHBondContact O-N 3.26Å; D572-N574 VanDerWaalsContact C-N 3.34Å; N574-L577 PolarHBondContact O-N 3.11Å; N574-L578 VanDerWaalsContact O-CB 3.31Å; N574-L578 WeakPolarHBondContact O-CB 3.36Å; N574-L578 WeakPolarHBondContact O-CG 3.34Å; N574-L578 PolarHBondContact O-N 2.75Å
575L92.1Very high85.4Confident29 Ų2955.5 Ų55.515%0.15229%0.287CS..Hα-helixtrans-61.1-46.2176.2176.963.6000111.7K547 M549 E571 D572 I573 L577 L578 N579K547-L575 HydrophobicContact CB-CD1 4.44Å; K547-L575 HydrophobicContact CB-CD2 4.14Å; K547-L575 HydrophobicContact CD-CD2 3.42Å; K547-L575 VanDerWaalsContact CD-CD2 3.42Å; K547-L575 VanDerWaalsContact CE-CD2 3.46Å; K547-L575 HydrophobicContact CG-CD2 3.7Å; M549-L575 HydrophobicContact CB-CB 4.44Å; M549-L575 HydrophobicContact CB-CD2 3.96Å; M549-L575 HydrophobicContact CB-CG 4.02Å; M549-L575 HydrophobicContact CE-CD2 4.26Å; M549-L575 HydrophobicContact CG-CD2 4.48Å; E571-L575 VanDerWaalsContact O-CB 3.27Å; E571-L575 WeakPolarHBondContact O-CB 2.97Å; E571-L575 PolarHBondContact O-N 2.84Å; D572-L575 WeakPolarHBondContact O-CB 3.41Å; D572-L575 PolarHBondContact O-N 2.89Å; I573-L575 VanDerWaalsContact C-N 3.33Å; I573-L575 PolarHBondContact O-N 3.09Å; L575-L577 VanDerWaalsContact C-N 3.28Å; L575-L577 PolarHBondContact O-N 3.24Å; L575-L578 PolarHBondContact O-N 3.36Å; L575-N579 WeakPolarHBondContact CD1-OD1 3.34Å; L575-N579 WeakPolarHBondContact O-CB 3.19Å; L575-N579 PolarHBondContact O-N 3.05Å; L575-N579 PolarHBondContact O-ND2 3.06Å; L575-N579 PolarHBondContact O-OD1 2.93Å
576M91.6Very high83.8Confident5 Ų558.3 Ų58.33%0.02530%0.302CS..Hα-helixtrans-55-45174.4175.8-175.471.800111.4F529 M549 L551 D572 I573 C580F529-M576 HydrophobicContact CB-SD 3.81Å; F529-M576 HydrophobicContact CD1-CE 4.49Å; F529-M576 HydrophobicContact CD1-CG 3.84Å; F529-M576 HydrophobicContact CD1-SD 4.07Å; F529-M576 HydrophobicContact CG-SD 4.28Å; M549-M576 HydrophobicContact CB-CB 4.11Å; M549-M576 HydrophobicContact CG-CB 4.12Å; M549-M576 WeakPolarHBondContact O-CG 3.25Å; L551-M576 HydrophobicContact CD2-CE 4Å; L551-M576 HydrophobicContact CD2-SD 3.97Å; L551-M576 HydrophobicContact CG-SD 4Å; D572-M576 PolarHBondContact O-N 3.19Å; I573-M576 HydrophobicContact CD1-CE 4.19Å; I573-M576 WeakPolarHBondContact O-CB 3.22Å; I573-M576 PolarHBondContact O-N 2.97Å; M576-C580 PolarHBondContact O-N 2.87Å
577L86.2Confident81.8Confident22 Ų2263.3 Ų63.312%0.11532%0.324CS..Hα-helixtrans-70.9-39.7179.4-63.1166.4000112.4I573 N574 L575 C580 L581 F598I573-L577 HydrophobicContact CG2-CD1 3.95Å; I573-L577 VanDerWaalsContact O-CG 3.28Å; I573-L577 WeakPolarHBondContact O-CG 3.4Å; I573-L577 PolarHBondContact O-N 3.39Å; I573-L577 VanDerWaalsContact O-N 3.13Å; N574-L577 PolarHBondContact O-N 3.11Å; L575-L577 VanDerWaalsContact C-N 3.28Å; L575-L577 PolarHBondContact O-N 3.24Å; L577-C580 WeakPolarHBondContact O-CB 2.97Å; L577-C580 PolarHBondContact O-N 2.89Å; L577-L581 WeakPolarHBondContact O-CG 3.36Å; L577-L581 PolarHBondContact O-N 2.67Å; L577-F598 HydrophobicContact CB-CZ 4.24Å; L577-F598 HydrophobicContact CD1-CE1 3.93Å; L577-F598 HydrophobicContact CD1-CE2 4.11Å; L577-F598 HydrophobicContact CD1-CZ 3.51Å; L577-F598 HydrophobicContact CD2-CE2 4.21Å; L577-F598 HydrophobicContact CD2-CZ 4.4Å; L577-F598 HydrophobicContact CG-CZ 4.25Å
578L86.2Confident79.8Confident82 Ų8263.2 Ų63.243%0.42932%0.323SS..Hα-helixtrans-66.2-42.9176.7-74.6170.7000111.6N574 L575 C580 L581 E582N574-L578 VanDerWaalsContact O-CB 3.31Å; N574-L578 WeakPolarHBondContact O-CB 3.36Å; N574-L578 WeakPolarHBondContact O-CG 3.34Å; N574-L578 PolarHBondContact O-N 2.75Å; L575-L578 PolarHBondContact O-N 3.36Å; L578-C580 VanDerWaalsContact C-N 3.27Å; L578-C580 PolarHBondContact O-N 3.26Å; L578-L581 PolarHBondContact O-N 3.36Å; L578-L581 VanDerWaalsContact O-N 3.12Å; L578-E582 WeakPolarHBondContact O-CB 3.17Å; L578-E582 PolarHBondContact O-N 3.21Å
579N87.7Confident77.3Confident6 Ų664.6 Ų64.63%0.03235%0.351CS..Hα-helixtrans-59.8-40.7175.1-68.9-16.4000111.2I545 K547 L575 E582 Y583I545-N579 HydrophobicContact CD1-CB 4.13Å; I545-N579 HydrophobicContact CG1-CB 4.35Å; I545-N579 HydrophobicContact CG2-CB 3.9Å; I545-N579 WeakPolarHBondContact CG2-OD1 3.04Å; K547-N579 PolarHBondContact O-ND2 2.81Å; L575-N579 WeakPolarHBondContact CD1-OD1 3.34Å; L575-N579 WeakPolarHBondContact O-CB 3.19Å; L575-N579 PolarHBondContact O-N 3.05Å; L575-N579 PolarHBondContact O-ND2 3.06Å; L575-N579 PolarHBondContact O-OD1 2.93Å; N579-E582 PolarHBondContact O-N 3.1Å; N579-Y583 WeakPolarHBondContact O-CB 3.42Å; N579-Y583 PolarHBondContact O-N 3.29Å
580C83.5Confident74.7Confident39 Ų3968.9 Ų68.926%0.26438%0.381SS..Hα-helixtrans-62.2-44.4174.4-178.80000111.6F529 M576 L577 L578 N584F529-C580 HydrophobicContact CE1-CB 3.96Å; M576-C580 PolarHBondContact O-N 2.87Å; L577-C580 WeakPolarHBondContact O-CB 2.97Å; L577-C580 PolarHBondContact O-N 2.89Å; L578-C580 VanDerWaalsContact C-N 3.27Å; L578-C580 PolarHBondContact O-N 3.26Å; C580-N584 VanDerWaalsContact O-CB 3.26Å; C580-N584 WeakPolarHBondContact O-CB 3.39Å; C580-N584 PolarHBondContact O-N 3.4Å; C580-N584 VanDerWaalsContact O-N 3.1Å; C580-N584 PolarHBondContact O-ND2 3.2Å; C580-N584 PolarHBondContact SG-ND2 3.02Å; C580-N584 VanDerWaalsContact SG-ND2 3.44Å
581L79.3Confident72.3Confident84 Ų8467.2 Ų67.244%0.4438%0.377SS..Hα-helixtrans-66.5-39.8177.3-71.2168.9000112.8L577 L578 G585L577-L581 WeakPolarHBondContact O-CG 3.36Å; L577-L581 PolarHBondContact O-N 2.67Å; L578-L581 PolarHBondContact O-N 3.36Å; L578-L581 VanDerWaalsContact O-N 3.12Å; L581-G585 WeakPolarHBondContact O-CA 3.4Å; L581-G585 PolarHBondContact O-N 3.35Å
582E81.3Confident69.8Low126 Ų12666.7 Ų66.759%0.58939%0.386SS*.Hα-helixtrans-68.6-48.9-178.7-179.3169.3-165.800111.5I545 L578 N579I545-E582 HydrophobicContact CD1-CB 3.84Å; I545-E582 HydrophobicContact CD1-CG 3.83Å; L578-E582 WeakPolarHBondContact O-CB 3.17Å; L578-E582 PolarHBondContact O-N 3.21Å; N579-E582 PolarHBondContact O-N 3.1Å
583Y79.7Confident67.3Low64 Ų6473.3 Ų73.325%0.25142%0.415SS..Hα-helixtrans-69.1-42.4-179.5-178.2-101000112.5A538 P539 Y541 F544 N579A538-Y583 VanDerWaalsContact C-OH 3.23Å; A538-Y583 WeakPolarHBondContact CA-OH 3.43Å; A538-Y583 HydrophobicContact CB-CE1 3.8Å; A538-Y583 WeakPolarHBondContact CB-OH 3.32Å; P539-Y583 PolarHBondContact O-OH 2.85Å; Y541-Y583 AromaticContact CD2-CD1 3.82Å; Y541-Y583 HydrophobicContact CD2-CD1 3.82Å; Y541-Y583 AromaticContact CD2-CD2 3.47Å; Y541-Y583 HydrophobicContact CD2-CD2 3.47Å; Y541-Y583 VanDerWaalsContact CD2-CD2 3.47Å; Y541-Y583 HydrophobicContact CD2-CE1 4.1Å; Y541-Y583 AromaticContact CD2-CE2 3.79Å; Y541-Y583 HydrophobicContact CD2-CE2 3.79Å; Y541-Y583 AromaticContact CD2-CG 3.48Å; Y541-Y583 HydrophobicContact CD2-CG 3.48Å; Y541-Y583 VanDerWaalsContact CD2-CG 3.48Å; Y541-Y583 HydrophobicContact CE2-CD1 4.12Å; Y541-Y583 HydrophobicContact CE2-CD2 4.17Å; Y541-Y583 AromaticContact CE2-CG 3.78Å; Y541-Y583 HydrophobicContact CE2-CG 3.78Å; Y541-Y583 HydrophobicContact CG-CD2 4.27Å; Y541-Y583 HydrophobicContact CG-CE2 4.36Å; F544-Y583 HydrophobicContact CD2-CD2 4.25Å; F544-Y583 HydrophobicContact CD2-CE2 4.29Å; N579-Y583 WeakPolarHBondContact O-CB 3.42Å; N579-Y583 PolarHBondContact O-N 3.29Å
584N76.4Confident65Low87 Ų8778.9 Ų78.947%0.46544%0.436SS..Hα-helixtrans-85.4-18.5-175.5-62.7-66.8000113.5C580C580-N584 VanDerWaalsContact O-CB 3.26Å; C580-N584 WeakPolarHBondContact O-CB 3.39Å; C580-N584 PolarHBondContact O-N 3.4Å; C580-N584 VanDerWaalsContact O-N 3.1Å; C580-N584 PolarHBondContact O-ND2 3.2Å; C580-N584 PolarHBondContact SG-ND2 3.02Å; C580-N584 VanDerWaalsContact SG-ND2 3.44Å
585G63.3Low63.2Low37 Ų3780.1 Ų80.138%0.38144%0.442SS..  trans65.2150.9179.300000114.8L581 K587L581-G585 WeakPolarHBondContact O-CA 3.4Å; L581-G585 PolarHBondContact O-N 3.35Å; G585-K587 PolarHBondContact O-N 3.5Å
586L49.9Very low60.8Low122 Ų12287.4 Ų87.464%0.63947%0.468SS*.SBendtrans-73.4-13.7171-80.5164000113.5R594L586-R594 PolarHBondContact O-NH2 3.44Å
587K45.2Very low58.6Low197 Ų19788.1 Ų88.186%0.85747%0.471SS*.SBendtrans-97.5-13.9-161-70.1-176.4177.4177.70115.5G585G585-K587 PolarHBondContact O-N 3.5Å
588N43.1Very low56.5Low111 Ų11191.7 Ų91.759%0.59449%0.485SS*.SBendtrans-94.8131.9172.4-58.2-15.6000106.8S590 A591N588-S590 PolarHBondContact O-N 3.01Å; N588-A591 PolarHBondContact O-N 2.92Å
589G36Very low54.3Low77 Ų7794 Ų9479%0.79450%0.498SS*.G310 helixtrans-54.26.6-176.600000117.3A591G589-A591 PolarHBondContact O-N 2.81Å; G589-A591 VanDerWaalsContact O-N 3.1Å
590S36Very low51.9Low91 Ų9194.8 Ų94.864%0.63650%0.504SS*.G310 helixtrans-70.415.2162.5-61.60000114.1N588 S592 F593N588-S590 PolarHBondContact O-N 3.01Å; S590-S592 PolarHBondContact O-N 3.47Å; S590-F593 PolarHBondContact O-N 2.84Å
591A37.9Very low49.5Very low30 Ų3097.4 Ų97.425%0.24852%0.52CS..G310 helixtrans-44.8-11.815200000115N588 G589 R594N588-A591 PolarHBondContact O-N 2.92Å; G589-A591 PolarHBondContact O-N 2.81Å; G589-A591 VanDerWaalsContact O-N 3.1Å; A591-R594 HydrophobicContact CB-CG 4.26Å; A591-R594 WeakPolarHBondContact O-CB 3.47Å; A591-R594 WeakPolarHBondContact O-CD 3.34Å; A591-R594 WeakPolarHBondContact O-CG 3.49Å; A591-R594 PolarHBondContact O-N 3.48Å
592S39.3Very low47.4Very low111 Ų11198.3 Ų98.378%0.77653%0.525SS*.G310 helixtrans-76.2-20.7173.7-159.40000113.7S590 R594S590-S592 PolarHBondContact O-N 3.47Å; S592-R594 PolarHBondContact O-N 3.44Å
593F40.6Very low45.1Very low144 Ų14496.4 Ų96.463%0.63252%0.515SS*.G310 helixtrans-76.2-2.1166.3-116.8-86.4000112W527 P528 S590 L595W527-F593 HydrophobicContact CZ2-CZ 4.19Å; P528-F593 HydrophobicContact CG-CE1 4.05Å; P528-F593 HydrophobicContact CG-CZ 4.39Å; S590-F593 PolarHBondContact O-N 2.84Å; F593-L595 PolarHBondContact O-N 3.33Å
594R43.3Very low42.6Very low121 Ų121103.7 Ų103.746%0.45755%0.548SS..  trans-60.5120.4-176.9-82.5171.1-172.91683.4111.5L586 A591 S592 R596L586-R594 PolarHBondContact O-NH2 3.44Å; A591-R594 HydrophobicContact CB-CG 4.26Å; A591-R594 WeakPolarHBondContact O-CB 3.47Å; A591-R594 WeakPolarHBondContact O-CD 3.34Å; A591-R594 WeakPolarHBondContact O-CG 3.49Å; A591-R594 PolarHBondContact O-N 3.48Å; S592-R594 PolarHBondContact O-N 3.44Å; R594-R596 PolarHBondContact O-N 3.18Å; R594-R596 VanDerWaalsContact O-N 3.15Å
595L47.9Very low40.9Very low97 Ų97104.5 Ų104.551%0.50855%0.552SS.*SBendtrans71.612.8135.1-63163.3000117.9F593 F597 F598F593-L595 PolarHBondContact O-N 3.33Å; L595-F597 VanDerWaalsContact C-N 3.28Å; L595-F597 PolarHBondContact O-N 3.44Å; L595-F598 HydrophobicContact CD2-CD2 3.45Å; L595-F598 VanDerWaalsContact CD2-CD2 3.45Å; L595-F598 HydrophobicContact CD2-CE2 3.67Å; L595-F598 HydrophobicContact CD2-CG 4.33Å
596R42.7Very low39.8Very low183 Ų183108.1 Ų108.169%0.69156%0.561SS**G310 helixtrans-68.8-27.5167.4-92.2-168.1-90.1-171.4-2.7113.4D525 R594 F598 N599D525-R596 WeakPolarHBondContact OD2-CB 3.46Å; R594-R596 PolarHBondContact O-N 3.18Å; R594-R596 VanDerWaalsContact O-N 3.15Å; R596-F598 PolarHBondContact O-N 3.43Å; R596-F598 VanDerWaalsContact O-N 3.16Å; R596-N599 PolarHBondContact O-N 3.3Å
597F44.2Very low39.2Very low20 Ų20107.3 Ų107.39%0.08856%0.557CS.*G310 helixtrans-60.1-26177.5-131.7-107000113.8L520 N523 D525 A526 F529 L595L520-F597 HydrophobicContact CD2-CD1 4.41Å; L520-F597 HydrophobicContact CD2-CE1 3.78Å; L520-F597 HydrophobicContact CD2-CZ 4.49Å; N523-F597 HydrophobicContact CB-CE2 3.99Å; N523-F597 HydrophobicContact CB-CZ 4.3Å; D525-F597 HydrophobicContact CB-CD2 3.89Å; D525-F597 HydrophobicContact CB-CE2 4.15Å; A526-F597 VanDerWaalsContact CA-CE2 3.41Å; A526-F597 HydrophobicContact CB-CE2 3.74Å; A526-F597 HydrophobicContact CB-CZ 3.63Å; F529-F597 HydrophobicContact CD2-CE2 4.5Å; L595-F597 VanDerWaalsContact C-N 3.28Å; L595-F597 PolarHBondContact O-N 3.44Å
598F43.2Very low38.9Very low96 Ų96102 Ų10242%0.42154%0.539SS..G310 helixtrans-83.2-5.7-177.2-78.7-86.5000114.9L577 L595 R596 C600L577-F598 HydrophobicContact CB-CZ 4.24Å; L577-F598 HydrophobicContact CD1-CE1 3.93Å; L577-F598 HydrophobicContact CD1-CE2 4.11Å; L577-F598 HydrophobicContact CD1-CZ 3.51Å; L577-F598 HydrophobicContact CD2-CE2 4.21Å; L577-F598 HydrophobicContact CD2-CZ 4.4Å; L577-F598 HydrophobicContact CG-CZ 4.25Å; L595-F598 HydrophobicContact CD2-CD2 3.45Å; L595-F598 VanDerWaalsContact CD2-CD2 3.45Å; L595-F598 HydrophobicContact CD2-CE2 3.67Å; L595-F598 HydrophobicContact CD2-CG 4.33Å; R596-F598 PolarHBondContact O-N 3.43Å; R596-F598 VanDerWaalsContact O-N 3.16Å; F598-C600 VanDerWaalsContact C-N 3.26Å; F598-C600 PolarHBondContact O-N 3.49Å
599N39.8Very low38.6Very low132 Ų132101.4 Ų101.471%0.70654%0.536SS*.G310 helixtrans-89.218.5175.6-82.1-26.3000113.2R596 P601R596-N599 PolarHBondContact O-N 3.3Å; N599-P601 VanDerWaalsContact O-CD 3.28Å; N599-P601 WeakPolarHBondContact O-CD 3.5Å
600C36.3Very low38.8Very low21 Ų21103.1 Ų103.114%0.14252%0.519CS..  trans-71.6118.4173.7-167.20000109.6F598 L602 F603F598-C600 VanDerWaalsContact C-N 3.26Å; F598-C600 PolarHBondContact O-N 3.49Å; C600-L602 PolarHBondContact O-N 2.82Å; C600-F603 HydrophobicContact CB-CD2 4.07Å; C600-F603 HydrophobicContact CB-CE2 4.47Å; C600-F603 PolarHBondContact O-N 3.5Å
601P33.4Very low39Very low94 Ų94103.9 Ų103.961%0.6151%0.51SS*.G310 helixtrans-60.3-11.5-179.6-21.832.6000114.1N599 F603N599-P601 VanDerWaalsContact O-CD 3.28Å; N599-P601 WeakPolarHBondContact O-CD 3.5Å; P601-F603 VanDerWaalsContact C-N 3.25Å; P601-F603 PolarHBondContact O-N 3.42Å
602L36.3Very low39Very low104 Ų104109.6 Ų109.655%0.54553%0.531SS..G310 helixtrans-75-10.4-179.1-65.4171.7000113.9L516 A519 C600L516-L602 HydrophobicContact CD1-CB 3.71Å; L516-L602 HydrophobicContact CD1-CD1 3.94Å; L516-L602 HydrophobicContact CD1-CG 4.42Å; A519-L602 HydrophobicContact CB-CD1 3.46Å; A519-L602 VanDerWaalsContact CB-CD1 3.46Å; C600-L602 PolarHBondContact O-N 2.82Å
603F32.3Very low39Very low86 Ų86109.5 Ų109.538%0.37751%0.51SS..G310 helixtrans-100.4-0.5179.3-74.1-91.5000114.3L516 L520 I573 C600 P601L516-F603 HydrophobicContact CD1-CE2 4.12Å; L516-F603 HydrophobicContact CD1-CZ 4.33Å; L516-F603 HydrophobicContact CD2-CZ 4.41Å; L520-F603 HydrophobicContact CD1-CZ 4.36Å; L520-F603 HydrophobicContact CD2-CE2 3.9Å; L520-F603 HydrophobicContact CD2-CZ 4.23Å; I573-F603 HydrophobicContact CG2-CE1 4.45Å; I573-F603 HydrophobicContact CG2-CZ 4.36Å; C600-F603 HydrophobicContact CB-CD2 4.07Å; C600-F603 HydrophobicContact CB-CE2 4.47Å; C600-F603 PolarHBondContact O-N 3.5Å; P601-F603 VanDerWaalsContact C-N 3.25Å; P601-F603 PolarHBondContact O-N 3.42Å
604F28.1Very low38.9Very low216 Ų216106.4 Ų106.495%0.94750%0.499SS*.  trans-1060178.3-75.5-79.7000113.1

Retrieved 604 of 604 residues in 175.2 ms (Link to these results)

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