A0A087X436_POEFO Loading...

inositol-1,3,4-trisphosphate 5/6-kinase

AlphaFold DB , UniProt , Accession A0A087X436, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1E44.8Very low76.5Confident235 Ų235123.3 Ų123.3100%1.09861%0.605SS**  0-26.70-73.6-177.5150.500115.5
2N55.9Low78Confident117 Ų117128.6 Ų128.663%0.62661%0.613SS**  trans-91.5-7.8-179.3-80-20.1000116.7P4 R5 C6N2-P4 VanDerWaalsContact C-CD 3.47Å; N2-R5 PolarHBondContact O-N 3.27Å; N2-C6 PolarHBondContact O-N 3.22Å
3E60.5Low79.3Confident165 Ų165124.2 Ų124.277%0.77159%0.59SS**Hα-helixtrans-58.7-40.6-170.4-152.3172.2-17300115.2R5 F7E3-R5 PolarHBondContact O-N 3.02Å; E3-F7 WeakPolarHBondContact O-CB 3.25Å; E3-F7 PolarHBondContact O-N 3.38Å; E3-F7 VanDerWaalsContact O-N 3.13Å
4P69.6Low80.3Confident86 Ų86118.7 Ų118.756%0.55856%0.564SS**Hα-helixtrans-67.8-35.9-179.5-17.530.3000112.8N2 C8N2-P4 VanDerWaalsContact C-CD 3.47Å; P4-C8 PolarHBondContact O-N 3.03Å; P4-C8 PolarHBondContact O-SG 3.31Å
5R82.2Confident81.3Confident199 Ų199117.5 Ų117.575%0.75156%0.562SS**Hα-helixtrans-72-41.9-178.1-66.8-176.3-176.4-176.42.2111.4N2 E3 F7 C8 F9N2-R5 PolarHBondContact O-N 3.27Å; E3-R5 PolarHBondContact O-N 3.02Å; R5-F7 VanDerWaalsContact C-N 3.34Å; R5-C8 PolarHBondContact O-N 3.16Å; R5-F9 PolarHBondContact O-N 3.22Å
6C84.1Confident82.3Confident84 Ų84117.6 Ų117.657%0.56856%0.556SS**Hα-helixtrans-62.6-42.2175.3-65.70000111.3N2 F9 H10N2-C6 PolarHBondContact O-N 3.22Å; C6-F9 PolarHBondContact O-N 3.47Å; C6-H10 WeakPolarHBondContact O-CB 3.16Å; C6-H10 PolarHBondContact O-N 3.03Å
7F84.2Confident83.1Confident126 Ų126112.8 Ų112.855%0.55353%0.534SS*.Hα-helixtrans-62.5-46.3176.4-175.9-103.1000112.1E3 R5 F9 H10 L11E3-F7 WeakPolarHBondContact O-CB 3.25Å; E3-F7 PolarHBondContact O-N 3.38Å; E3-F7 VanDerWaalsContact O-N 3.13Å; R5-F7 VanDerWaalsContact C-N 3.34Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 2.99Å; F7-H10 PolarHBondContact O-N 3.26Å; F7-L11 HydrophobicContact CD1-CD1 3.81Å; F7-L11 HydrophobicContact CD1-CG 4.37Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE1-CG 4.02Å; F7-L11 HydrophobicContact CZ-CD1 3.7Å; F7-L11 HydrophobicContact CZ-CD2 4.27Å; F7-L11 HydrophobicContact CZ-CG 4.08Å; F7-L11 PolarHBondContact O-N 3.31Å
8C88.1Confident83.7Confident60 Ų60112.6 Ų112.641%0.40554%0.537SS..Hα-helixtrans-61.7-39175.8-70.30000112.9P4 R5 R12P4-C8 PolarHBondContact O-N 3.03Å; P4-C8 PolarHBondContact O-SG 3.31Å; R5-C8 PolarHBondContact O-N 3.16Å; C8-R12 VanDerWaalsContact O-CG 3.3Å; C8-R12 WeakPolarHBondContact O-CG 3.41Å; C8-R12 PolarHBondContact O-N 3.35Å
9F90.8Very high84.4Confident150 Ų150110.2 Ų110.266%0.65854%0.538SS*.Hα-helixtrans-64-45.3175.8-179.1-93.2000111.2R5 C6 F7 L11 R12 F13R5-F9 PolarHBondContact O-N 3.22Å; C6-F9 PolarHBondContact O-N 3.47Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 2.99Å; F9-L11 PolarHBondContact O-N 3.46Å; F9-R12 PolarHBondContact O-N 3.49Å; F9-F13 WeakPolarHBondContact O-CB 3.18Å; F9-F13 PolarHBondContact O-N 2.96Å
10H89.6Confident85Confident62 Ų62107.8 Ų107.829%0.28753%0.525SS..Hα-helixtrans-59-46.2178.2-178.358.8000112.2C6 F7 F13 Q14 R33C6-H10 WeakPolarHBondContact O-CB 3.16Å; C6-H10 PolarHBondContact O-N 3.03Å; F7-H10 PolarHBondContact O-N 3.26Å; H10-F13 PolarHBondContact O-N 3.38Å; H10-Q14 WeakPolarHBondContact O-CB 3.47Å; H10-Q14 PolarHBondContact O-N 3.34Å; H10-R33 PolarHBondContact CE1-NH2 3.42Å; H10-R33 PolarHBondContact NE2-NH2 2.78Å
11L91.3Very high85.4Confident72 Ų72107.7 Ų107.738%0.37753%0.533SS..Hα-helixtrans-61.2-49.8176.8-73.2179.1000111.8F7 F9 F13 Q14 D15F7-L11 HydrophobicContact CD1-CD1 3.81Å; F7-L11 HydrophobicContact CD1-CG 4.37Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE1-CG 4.02Å; F7-L11 HydrophobicContact CZ-CD1 3.7Å; F7-L11 HydrophobicContact CZ-CD2 4.27Å; F7-L11 HydrophobicContact CZ-CG 4.08Å; F7-L11 PolarHBondContact O-N 3.31Å; F9-L11 PolarHBondContact O-N 3.46Å; L11-F13 VanDerWaalsContact C-N 3.26Å; L11-F13 PolarHBondContact O-N 3.5Å; L11-Q14 PolarHBondContact O-N 3.4Å; L11-Q14 VanDerWaalsContact O-N 3.1Å; L11-D15 WeakPolarHBondContact O-CB 3.15Å; L11-D15 PolarHBondContact O-N 2.66Å
12R94.6Very high87.7Confident187 Ų187102 Ų10271%0.70651%0.507SS*.Hα-helixtrans-59.2-38.5179.1-71.9175.7-171.2-175.72.6112.7C8 F9 Y16C8-R12 VanDerWaalsContact O-CG 3.3Å; C8-R12 WeakPolarHBondContact O-CG 3.41Å; C8-R12 PolarHBondContact O-N 3.35Å; F9-R12 PolarHBondContact O-N 3.49Å; R12-Y16 WeakPolarHBondContact O-CB 3.44Å; R12-Y16 PolarHBondContact O-N 2.9Å; R12-Y16 VanDerWaalsContact O-N 3.1Å
13F94.9Very high89.5Confident71 Ų7198.8 Ų98.831%0.31149%0.491SS..Hα-helixtrans-67-45.5176.4-175.9-99.2000110.9F9 H10 L11 Y16 I17 V25 L29F9-F13 WeakPolarHBondContact O-CB 3.18Å; F9-F13 PolarHBondContact O-N 2.96Å; H10-F13 PolarHBondContact O-N 3.38Å; L11-F13 VanDerWaalsContact C-N 3.26Å; L11-F13 PolarHBondContact O-N 3.5Å; F13-Y16 PolarHBondContact O-N 2.79Å; F13-I17 HydrophobicContact CD1-CG1 4.2Å; F13-I17 HydrophobicContact CE1-CD1 4.4Å; F13-I17 HydrophobicContact CE1-CG1 3.8Å; F13-I17 HydrophobicContact CE2-CD1 4.36Å; F13-I17 HydrophobicContact CE2-CG1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 4.02Å; F13-I17 HydrophobicContact CZ-CG1 3.93Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 3.22Å; F13-V25 HydrophobicContact CZ-CG1 4.23Å; F13-L29 HydrophobicContact CD1-CD1 3.62Å; F13-L29 HydrophobicContact CD1-CD2 4.13Å; F13-L29 HydrophobicContact CD1-CG 4.16Å; F13-L29 HydrophobicContact CE1-CD1 3.8Å; F13-L29 HydrophobicContact CE1-CD2 3.82Å; F13-L29 HydrophobicContact CE1-CG 3.85Å
14Q93.5Very high91.1Very high48 Ų4893.3 Ų93.322%0.22447%0.466CS..Hα-helixtrans-61-46.6176.7-170.365.864.700111.6H10 L11 Y16 I17 D18H10-Q14 WeakPolarHBondContact O-CB 3.47Å; H10-Q14 PolarHBondContact O-N 3.34Å; L11-Q14 PolarHBondContact O-N 3.4Å; L11-Q14 VanDerWaalsContact O-N 3.1Å; Q14-Y16 VanDerWaalsContact C-N 3.26Å; Q14-Y16 PolarHBondContact O-N 3.27Å; Q14-I17 PolarHBondContact O-N 3.49Å; Q14-I17 VanDerWaalsContact O-N 3.16Å; Q14-D18 PolarHBondContact NE2-OD1 3.14Å; Q14-D18 WeakPolarHBondContact O-CB 3.3Å; Q14-D18 PolarHBondContact O-N 3.47Å
15D95.8Very high92.2Very high101 Ų10190.8 Ų90.854%0.5445%0.45SS..Hα-helixtrans-57.7-39.9177.3-65.8-21.6000111.6L11 A19L11-D15 WeakPolarHBondContact O-CB 3.15Å; L11-D15 PolarHBondContact O-N 2.66Å; D15-A19 VanDerWaalsContact O-CB 3.29Å; D15-A19 WeakPolarHBondContact O-CB 3.46Å; D15-A19 PolarHBondContact O-N 3.4Å
16Y96.8Very high92.8Very high119 Ų11983.8 Ų83.847%0.46743%0.427SS..Hα-helixtrans-66.5-46.3176.4-178.4-88.1000111.8R12 F13 Q14 D18 A19 H20 T23R12-Y16 WeakPolarHBondContact O-CB 3.44Å; R12-Y16 PolarHBondContact O-N 2.9Å; R12-Y16 VanDerWaalsContact O-N 3.1Å; F13-Y16 PolarHBondContact O-N 2.79Å; Q14-Y16 VanDerWaalsContact C-N 3.26Å; Q14-Y16 PolarHBondContact O-N 3.27Å; Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 3.28Å; Y16-A19 PolarHBondContact O-N 3.13Å; Y16-H20 AromaticContact CD2-CD2 3.5Å; Y16-H20 AromaticContact CD2-NE2 3.95Å; Y16-H20 HydrophobicContact CE1-CB 4.23Å; Y16-H20 AromaticContact CE2-CD2 3.36Å; Y16-H20 WeakPolarHBondContact CE2-CD2 3.36Å; Y16-H20 AromaticContact CE2-NE2 3.65Å; Y16-H20 AromaticContact CG-CD2 3.93Å; Y16-H20 AromaticContact CZ-CD2 3.65Å; Y16-H20 WeakPolarHBondContact O-CB 3.48Å; Y16-H20 PolarHBondContact O-CD2 3.29Å; Y16-H20 VanDerWaalsContact O-CD2 3.25Å; Y16-H20 PolarHBondContact O-N 2.98Å; Y16-T23 HydrophobicContact CE1-CG2 4.29Å
17I95.4Very high93.2Very high35 Ų3580.4 Ų80.418%0.17940%0.403CS..Hα-helixtrans-63.4-39.9178.7-64-51.1000111.4F13 Q14 A19 H20 T23 V25F13-I17 HydrophobicContact CD1-CG1 4.2Å; F13-I17 HydrophobicContact CE1-CD1 4.4Å; F13-I17 HydrophobicContact CE1-CG1 3.8Å; F13-I17 HydrophobicContact CE2-CD1 4.36Å; F13-I17 HydrophobicContact CE2-CG1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 4.02Å; F13-I17 HydrophobicContact CZ-CG1 3.93Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 3.22Å; Q14-I17 PolarHBondContact O-N 3.49Å; Q14-I17 VanDerWaalsContact O-N 3.16Å; I17-A19 VanDerWaalsContact C-N 3.3Å; I17-A19 PolarHBondContact O-N 3.28Å; I17-H20 CarbonylContact O-C 3.59Å; I17-H20 PolarHBondContact O-N 3.43Å; I17-T23 HydrophobicContact CD1-CG2 4.39Å; I17-V25 HydrophobicContact CD1-CG2 3.29Å; I17-V25 HydrophobicContact CG1-CG2 3.97Å; I17-V25 HydrophobicContact CG2-CG2 4.11Å
18D94.5Very high93.6Very high109 Ų10976.3 Ų76.358%0.58339%0.389SS*.Hα-helixtrans-67.6-32.5178.5-65.7-9000111.7Q14 Y16Q14-D18 PolarHBondContact NE2-OD1 3.14Å; Q14-D18 WeakPolarHBondContact O-CB 3.3Å; Q14-D18 PolarHBondContact O-N 3.47Å; Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 3.28Å
19A97.4Very high93.8Very high67 Ų6775.2 Ų75.255%0.55438%0.379SS*.Hα-helixtrans-80.3-21.5176.600000114.2D15 Y16 I17 P21D15-A19 VanDerWaalsContact O-CB 3.29Å; D15-A19 WeakPolarHBondContact O-CB 3.46Å; D15-A19 PolarHBondContact O-N 3.4Å; Y16-A19 PolarHBondContact O-N 3.13Å; I17-A19 VanDerWaalsContact C-N 3.3Å; I17-A19 PolarHBondContact O-N 3.28Å; A19-P21 WeakPolarHBondContact O-CD 3.41Å
20H96Very high93.9Very high63 Ų6372 Ų7229%0.29237%0.374SS..  trans-127.268.2-173-66.1-74.3000112.1Y16 I17 E22 T23Y16-H20 AromaticContact CD2-CD2 3.5Å; Y16-H20 AromaticContact CD2-NE2 3.95Å; Y16-H20 HydrophobicContact CE1-CB 4.23Å; Y16-H20 AromaticContact CE2-CD2 3.36Å; Y16-H20 WeakPolarHBondContact CE2-CD2 3.36Å; Y16-H20 AromaticContact CE2-NE2 3.65Å; Y16-H20 AromaticContact CG-CD2 3.93Å; Y16-H20 AromaticContact CZ-CD2 3.65Å; Y16-H20 WeakPolarHBondContact O-CB 3.48Å; Y16-H20 PolarHBondContact O-CD2 3.29Å; Y16-H20 VanDerWaalsContact O-CD2 3.25Å; Y16-H20 PolarHBondContact O-N 2.98Å; I17-H20 CarbonylContact O-C 3.59Å; I17-H20 PolarHBondContact O-N 3.43Å; H20-E22 VanDerWaalsContact CA-OE2 3.3Å; H20-E22 WeakPolarHBondContact CA-OE2 3.36Å; H20-E22 IonicContact CG-OE1 2.7Å; H20-E22 IonicContact ND1-OE1 3.18Å; H20-E22 PolarHBondContact ND1-OE1 3.3Å; H20-E22 PolarHBondContact O-N 3.11Å; H20-E22 VanDerWaalsContact O-N 3.12Å; H20-T23 WeakPolarHBondContact O-CB 3.36Å; H20-T23 PolarHBondContact O-N 3.35Å
21P93.3Very high93.9Very high106 Ų10669.3 Ų69.369%0.68836%0.362SS*.THydrogen-bonded Turntrans-63.2-17-179.227.9-36.3000113.9A19 T23A19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-T23 VanDerWaalsContact C-N 3.26Å
22E92.9Very high94Very high116 Ų11667.9 Ų67.954%0.54235%0.354SS..THydrogen-bonded Turntrans-70.9-18.6170.773.1-77.4-176.300113.5H20 I24H20-E22 VanDerWaalsContact CA-OE2 3.3Å; H20-E22 WeakPolarHBondContact CA-OE2 3.36Å; H20-E22 IonicContact CG-OE1 2.7Å; H20-E22 IonicContact ND1-OE1 3.18Å; H20-E22 PolarHBondContact ND1-OE1 3.3Å; H20-E22 PolarHBondContact O-N 3.11Å; H20-E22 VanDerWaalsContact O-N 3.12Å; E22-I24 PolarHBondContact O-N 3.44Å
23T94.7Very high93.9Very high49 Ų4964 Ų6430%0.30134%0.34SS..SBendtrans-78.4118.7179-62.20000110.2Y16 I17 H20 P21Y16-T23 HydrophobicContact CE1-CG2 4.29Å; I17-T23 HydrophobicContact CD1-CG2 4.39Å; H20-T23 WeakPolarHBondContact O-CB 3.36Å; H20-T23 PolarHBondContact O-N 3.35Å; P21-T23 VanDerWaalsContact C-N 3.26Å
24I92.4Very high93.9Very high49 Ų4962.3 Ų62.325%0.25134%0.335SS..  trans-77.2124.6175.7-50.8-171000109.5E22 L26 V256 L257 Q260E22-I24 PolarHBondContact O-N 3.44Å; I24-L26 HydrophobicContact CG2-CD2 4.08Å; I24-L26 HydrophobicContact CG2-CG 4.26Å; I24-V256 HydrophobicContact CD1-CG1 3.73Å; I24-V256 HydrophobicContact CG2-CG1 3.53Å; I24-L257 HydrophobicContact CD1-CD2 3.91Å; I24-Q260 HydrophobicContact CD1-CG 3.87Å
25V94.2Very high93.9Very high34 Ų3460.3 Ų60.321%0.20633%0.326CS..  trans-104.8116.4178.7-171.10000109.8F13 I17 D27 P28F13-V25 HydrophobicContact CZ-CG1 4.23Å; I17-V25 HydrophobicContact CD1-CG2 3.29Å; I17-V25 HydrophobicContact CG1-CG2 3.97Å; I17-V25 HydrophobicContact CG2-CG2 4.11Å; V25-D27 WeakPolarHBondContact CG1-O 3.48Å; V25-P28 WeakPolarHBondContact O-CD 3.04Å
26L93.8Very high93.8Very high52 Ų5259.2 Ų59.227%0.27232%0.32SS..SBendtrans-112.899.7175.4-58.2179.7000108.8I24 Y213 I253I24-L26 HydrophobicContact CG2-CD2 4.08Å; I24-L26 HydrophobicContact CG2-CG 4.26Å; L26-Y213 HydrophobicContact CD2-CD2 3.59Å; L26-Y213 HydrophobicContact CD2-CE2 3.97Å; L26-Y213 HydrophobicContact CD2-CG 4.44Å; L26-I253 HydrophobicContact CD1-CG1 4.13Å
27D93.9Very high93.7Very high12 Ų1254.5 Ų54.56%0.06430%0.302CS..SBendcis-104.9157.4-2.3-68.3-56.3000112.4V25 L29 I32 I212 Y213 L214V25-D27 WeakPolarHBondContact CG1-O 3.48Å; D27-L29 PolarHBondContact O-N 2.78Å; D27-I32 HydrophobicContact CB-CD1 3.91Å; D27-I32 HydrophobicContact CB-CG1 4.33Å; D27-I212 WeakPolarHBondContact OD2-CG2 3.38Å; D27-Y213 VanDerWaalsContact CG-N 3.33Å; D27-Y213 WeakPolarHBondContact OD1-CB 3.37Å; D27-Y213 WeakPolarHBondContact OD1-CD2 3.36Å; D27-Y213 PolarHBondContact OD1-N 3.34Å; D27-Y213 PolarHBondContact OD2-N 3.02Å; D27-L214 PolarHBondContact OD2-N 2.85Å
28P92.6Very high93.7Very high41 Ų4152.9 Ų52.927%0.26629%0.294SS..  trans-54.9137.6177.1-25.634.8000113.4V25 P30 A31 I32 T211V25-P28 WeakPolarHBondContact O-CD 3.04Å; P28-P30 VanDerWaalsContact C-N 3.34Å; P28-A31 WeakPolarHBondContact O-CA 3.45Å; P28-A31 WeakPolarHBondContact O-CB 3.29Å; P28-A31 PolarHBondContact O-N 3.48Å; P28-I32 PolarHBondContact O-N 2.96Å; P28-T211 WeakPolarHBondContact CD-O 3.27Å; P28-T211 HydrophobicContact CG-CG2 4.43Å
29L91.6Very high93.7Very high36 Ų3648.5 Ų48.519%0.18827%0.272CS..Hα-helixtrans-53.2-39.2-179.2-62.7178.4000114.8F13 D27 A31 I32 R33F13-L29 HydrophobicContact CD1-CD1 3.62Å; F13-L29 HydrophobicContact CD1-CD2 4.13Å; F13-L29 HydrophobicContact CD1-CG 4.16Å; F13-L29 HydrophobicContact CE1-CD1 3.8Å; F13-L29 HydrophobicContact CE1-CD2 3.82Å; F13-L29 HydrophobicContact CE1-CG 3.85Å; D27-L29 PolarHBondContact O-N 2.78Å; L29-A31 PolarHBondContact O-N 2.87Å; L29-I32 PolarHBondContact O-N 2.97Å; L29-R33 WeakPolarHBondContact O-CB 3.4Å; L29-R33 VanDerWaalsContact O-CG 3.29Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.81Å
30P92Very high93.6Very high84 Ų8450 Ų5055%0.54527%0.265SS..Hα-helixtrans-58.7-37.7175.5-25.336.2000112.7P28 R33 T34P28-P30 VanDerWaalsContact C-N 3.34Å; P30-R33 PolarHBondContact O-N 2.9Å; P30-T34 PolarHBondContact O-N 3.28Å; P30-T34 PolarHBondContact O-OG1 3.03Å
31A91.3Very high93.6Very high5 Ų547 Ų474%0.04125%0.252CS..Hα-helixtrans-70.6-44.8-179.300000111P28 L29 R33 T34 L35 N210 I212P28-A31 WeakPolarHBondContact O-CA 3.45Å; P28-A31 WeakPolarHBondContact O-CB 3.29Å; P28-A31 PolarHBondContact O-N 3.48Å; L29-A31 PolarHBondContact O-N 2.87Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.18Å; A31-T34 VanDerWaalsContact O-CB 3.28Å; A31-T34 WeakPolarHBondContact O-CB 3.38Å; A31-T34 PolarHBondContact O-N 3.42Å; A31-T34 VanDerWaalsContact O-N 3.09Å; A31-L35 PolarHBondContact O-N 2.76Å; A31-N210 WeakPolarHBondContact CA-OD1 3.32Å; A31-N210 VanDerWaalsContact CB-OD1 3.3Å; A31-N210 WeakPolarHBondContact CB-OD1 3.41Å; A31-I212 HydrophobicContact CB-CD1 3.9Å; A31-I212 HydrophobicContact CB-CG1 3.46Å; A31-I212 VanDerWaalsContact CB-CG1 3.46Å
32I92.9Very high93.6Very high42 Ų4242 Ų4222%0.21522%0.219CC..Hα-helixtrans-57.2-44.9172.3-59-60.8000111.4D27 P28 L29 T34 L35 L36 A235D27-I32 HydrophobicContact CB-CD1 3.91Å; D27-I32 HydrophobicContact CB-CG1 4.33Å; P28-I32 PolarHBondContact O-N 2.96Å; L29-I32 PolarHBondContact O-N 2.97Å; I32-T34 PolarHBondContact O-N 3.35Å; I32-L35 PolarHBondContact O-N 2.92Å; I32-L36 HydrophobicContact CG2-CD1 4.18Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.11Å; I32-A235 HydrophobicContact CD1-CB 3.67Å
33R92.7Very high93.6Very high106 Ų10640.7 Ų40.740%0.421%0.213SC..Hα-helixtrans-61.3-29178.1-73.7176.5-172.5135.9-6.5113.1H10 L29 P30 A31H10-R33 PolarHBondContact CE1-NH2 3.42Å; H10-R33 PolarHBondContact NE2-NH2 2.78Å; L29-R33 WeakPolarHBondContact O-CB 3.4Å; L29-R33 VanDerWaalsContact O-CG 3.29Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.81Å; P30-R33 PolarHBondContact O-N 2.9Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.18Å
34T93.6Very high93.5Very high35 Ų3538.9 Ų38.922%0.21520%0.201CC..Hα-helixtrans-64.1-47.5171.6-60.80000110P30 A31 I32 L36 D37 K40 S41 L44P30-T34 PolarHBondContact O-N 3.28Å; P30-T34 PolarHBondContact O-OG1 3.03Å; A31-T34 VanDerWaalsContact O-CB 3.28Å; A31-T34 WeakPolarHBondContact O-CB 3.38Å; A31-T34 PolarHBondContact O-N 3.42Å; A31-T34 VanDerWaalsContact O-N 3.09Å; I32-T34 PolarHBondContact O-N 3.35Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.44Å; T34-D37 PolarHBondContact O-N 3.41Å; T34-K40 HydrophobicContact CG2-CB 4.08Å; T34-S41 PolarHBondContact O-OG 3.17Å; T34-L44 HydrophobicContact CG2-CD2 4.29Å
35L93.7Very high93.4Very high6 Ų636.8 Ų36.83%0.03119%0.191CC..Hα-helixtrans-73.1-17.1-177.7-62.6-165.4000114.6A31 I32 D37 S41 A95 I212 I233 A235A31-L35 PolarHBondContact O-N 2.76Å; I32-L35 PolarHBondContact O-N 2.92Å; L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 3.26Å; L35-S41 WeakPolarHBondContact CA-OG 3.44Å; L35-A95 WeakPolarHBondContact O-CB 3.21Å; L35-I212 HydrophobicContact CD1-CD1 3.25Å; L35-I212 HydrophobicContact CD1-CG2 4.44Å; L35-I212 HydrophobicContact CD2-CD1 4.2Å; L35-I212 HydrophobicContact CG-CD1 3.43Å; L35-I212 VanDerWaalsContact CG-CD1 3.43Å; L35-I233 HydrophobicContact CD1-CG2 3.77Å; L35-I233 HydrophobicContact CD2-CB 4.06Å; L35-I233 HydrophobicContact CD2-CG2 3.76Å; L35-I233 HydrophobicContact CG-CG2 4.44Å; L35-A235 HydrophobicContact CB-CB 4.31Å; L35-A235 HydrophobicContact CD1-CB 3.86Å
36L94Very high93.2Very high78 Ų7839.7 Ų39.741%0.40820%0.202SC..THydrogen-bonded Turntrans-75.7-12.4175-69.1175.8000114I32 T34 A95 H96I32-L36 HydrophobicContact CG2-CD1 4.18Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.11Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.44Å; L36-A95 PolarHBondContact O-N 3.37Å; L36-H96 HydrophobicContact CD2-CB 3.96Å
37D95.2Very high92.9Very high20 Ų2044.4 Ų44.411%0.10722%0.216CC..BIsolated β-bridgetrans-121108.9178.4-175.1-28.5000109.8T34 L35 C39 K40 S41 R93T34-D37 PolarHBondContact O-N 3.41Å; L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 3.26Å; D37-C39 PolarHBondContact O-N 3.23Å; D37-C39 VanDerWaalsContact O-N 3.1Å; D37-C39 WeakPolarHBondContact OD1-CB 3.22Å; D37-C39 PolarHBondContact OD1-N 3.01Å; D37-K40 HydrophobicContact CB-CB 4.2Å; D37-K40 HydrophobicContact CB-CD 3.97Å; D37-K40 HydrophobicContact CB-CG 3.95Å; D37-K40 WeakPolarHBondContact O-CA 3.17Å; D37-K40 WeakPolarHBondContact O-CB 3.13Å; D37-K40 PolarHBondContact O-N 2.86Å; D37-S41 PolarHBondContact O-N 3.4Å; D37-S41 PolarHBondContact O-OG 3.02Å; D37-R93 WeakPolarHBondContact OD1-CG 3.47Å; D37-R93 IonicContact OD1-NE 3.23Å; D37-R93 PolarHBondContact OD1-NE 3.43Å; D37-R93 IonicContact OD2-CZ 3.33Å; D37-R93 IonicContact OD2-NE 3.01Å; D37-R93 PolarHBondContact OD2-NE 3.32Å; D37-R93 IonicContact OD2-NH2 2.78Å; D37-R93 PolarHBondContact OD2-NH2 2.81Å
38R95.7Very high92.4Very high1 Ų144 Ų440%0.00421%0.214CC..Hα-helixtrans-57.3-30.5-176.8-70.6-164.2175.6101.6-0.5113.3S41 Y42 T92 R93 V94 A95 S100 V120 D232R38-S41 PolarHBondContact O-N 3.41Å; R38-Y42 HydrophobicContact CB-CE2 4.28Å; R38-Y42 WeakPolarHBondContact O-CB 3.31Å; R38-Y42 WeakPolarHBondContact O-CD2 3.35Å; R38-Y42 PolarHBondContact O-N 3.26Å; R38-T92 WeakPolarHBondContact CD-O 3.38Å; R38-T92 PolarHBondContact NH1-O 3.44Å; R38-T92 PolarHBondContact NH1-OG1 3.11Å; R38-R93 PolarHBondContact N-O 2.98Å; R38-V94 PolarHBondContact NH1-O 2.84Å; R38-A95 HydrophobicContact CG-CB 3.66Å; R38-A95 PolarHBondContact NH2-O 3.48Å; R38-S100 PolarHBondContact NH1-O 3.19Å; R38-S100 VanDerWaalsContact NH1-O 3.1Å; R38-S100 PolarHBondContact NH2-O 3.04Å; R38-V120 HydrophobicContact CB-CG2 3.98Å; R38-D232 IonicContact NE-OD1 3.76Å
39C94.8Very high92.1Very high17 Ų1742.9 Ų42.912%0.11521%0.205CC..Hα-helixtrans-61.9-47174.11790000110.6D37 Y42 Q43 V66D37-C39 PolarHBondContact O-N 3.23Å; D37-C39 VanDerWaalsContact O-N 3.1Å; D37-C39 WeakPolarHBondContact OD1-CB 3.22Å; D37-C39 PolarHBondContact OD1-N 3.01Å; C39-Y42 PolarHBondContact O-N 2.89Å; C39-Q43 WeakPolarHBondContact O-CB 3.45Å; C39-Q43 VanDerWaalsContact O-CG 3.23Å; C39-Q43 WeakPolarHBondContact O-CG 3.4Å; C39-Q43 PolarHBondContact O-N 2.78Å; C39-Q43 PolarHBondContact SG-NE2 2.72Å; C39-Q43 VanDerWaalsContact SG-NE2 3.43Å; C39-V66 HydrophobicContact CB-CG2 3.55Å; C39-V66 WeakPolarHBondContact SG-CG2 3.39Å
40K95.1Very high91.8Very high97 Ų9748 Ų4842%0.42223%0.226SC..Hα-helixtrans-67.6-42.5178.7-61.2-176.3-173.5174.80111.4T34 D37 Y42 Q43 L44T34-K40 HydrophobicContact CG2-CB 4.08Å; D37-K40 HydrophobicContact CB-CB 4.2Å; D37-K40 HydrophobicContact CB-CD 3.97Å; D37-K40 HydrophobicContact CB-CG 3.95Å; D37-K40 WeakPolarHBondContact O-CA 3.17Å; D37-K40 WeakPolarHBondContact O-CB 3.13Å; D37-K40 PolarHBondContact O-N 2.86Å; K40-Y42 PolarHBondContact O-N 2.96Å; K40-Q43 PolarHBondContact O-N 2.89Å; K40-L44 PolarHBondContact O-N 2.84Å
41S94.5Very high91.2Very high0 Ų046.8 Ų46.80%022%0.219CC..Hα-helixtrans-59.4-45.5176.3-48.90000111.8T34 L35 D37 R38 L44 V45T34-S41 PolarHBondContact O-OG 3.17Å; L35-S41 WeakPolarHBondContact CA-OG 3.44Å; D37-S41 PolarHBondContact O-N 3.4Å; D37-S41 PolarHBondContact O-OG 3.02Å; R38-S41 PolarHBondContact O-N 3.41Å; S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 PolarHBondContact O-N 2.99Å; S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 2.98Å
42Y94.6Very high90.4Very high1 Ų146.8 Ų46.80%0.00422%0.218CC..Hα-helixtrans-72.3-32.3179.4-61.8-16.6000112.8R38 C39 K40 L44 V45 H46 F64 K91 V120 I231R38-Y42 HydrophobicContact CB-CE2 4.28Å; R38-Y42 WeakPolarHBondContact O-CB 3.31Å; R38-Y42 WeakPolarHBondContact O-CD2 3.35Å; R38-Y42 PolarHBondContact O-N 3.26Å; C39-Y42 PolarHBondContact O-N 2.89Å; K40-Y42 PolarHBondContact O-N 2.96Å; Y42-L44 VanDerWaalsContact C-N 3.29Å; Y42-L44 PolarHBondContact O-N 2.86Å; Y42-V45 PolarHBondContact O-N 3.35Å; Y42-H46 WeakPolarHBondContact O-CB 3.46Å; Y42-H46 PolarHBondContact O-N 3.09Å; Y42-F64 VanDerWaalsContact CB-CE1 3.4Å; Y42-F64 VanDerWaalsContact CB-CZ 3.41Å; Y42-F64 HydrophobicContact CD2-CB 4.19Å; Y42-F64 HydrophobicContact CD2-CD1 4.24Å; Y42-F64 AromaticContact CD2-CD2 3.77Å; Y42-F64 HydrophobicContact CD2-CD2 3.77Å; Y42-F64 HydrophobicContact CD2-CE2 4.21Å; Y42-F64 AromaticContact CD2-CG 3.79Å; Y42-F64 HydrophobicContact CD2-CG 3.79Å; Y42-F64 HydrophobicContact CG-CD1 4.42Å; Y42-F64 HydrophobicContact CG-CD2 4.45Å; Y42-F64 HydrophobicContact CG-CG 4.39Å; Y42-K91 WeakPolarHBondContact OH-CD 3.42Å; Y42-K91 PolarHBondContact OH-NZ 3.31Å; Y42-V120 HydrophobicContact CD2-CG1 3.86Å; Y42-V120 HydrophobicContact CE2-CB 4.5Å; Y42-V120 HydrophobicContact CE2-CG1 3.66Å; Y42-I231 WeakPolarHBondContact CE1-O 3.49Å; Y42-I231 PolarHBondContact OH-O 3.35Å; Y42-I231 VanDerWaalsContact OH-O 3.08Å
43Q93.4Very high89.4Confident89 Ų8949.3 Ų49.342%0.41623%0.229SC..Hα-helixtrans-62.1-38168.9-74.2175.65.400111.9C39 K40 R47 F64C39-Q43 WeakPolarHBondContact O-CB 3.45Å; C39-Q43 VanDerWaalsContact O-CG 3.23Å; C39-Q43 WeakPolarHBondContact O-CG 3.4Å; C39-Q43 PolarHBondContact O-N 2.78Å; C39-Q43 PolarHBondContact SG-NE2 2.72Å; C39-Q43 VanDerWaalsContact SG-NE2 3.43Å; K40-Q43 PolarHBondContact O-N 2.89Å; Q43-R47 VanDerWaalsContact O-CG 3.3Å; Q43-R47 WeakPolarHBondContact O-CG 3.18Å; Q43-R47 PolarHBondContact O-N 3.1Å; Q43-R47 VanDerWaalsContact O-N 3.08Å; Q43-F64 HydrophobicContact CG-CZ 4Å
44L91.3Very high88.2Confident11 Ų1150.6 Ų50.66%0.05825%0.248CC..Hα-helixtrans-63.7-48.3173.5173.364.3000111T34 K40 S41 Y42 H46 R47 I48 E206 F209 N210T34-L44 HydrophobicContact CG2-CD2 4.29Å; K40-L44 PolarHBondContact O-N 2.84Å; S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 PolarHBondContact O-N 2.99Å; Y42-L44 VanDerWaalsContact C-N 3.29Å; Y42-L44 PolarHBondContact O-N 2.86Å; L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 2.81Å; L44-R47 WeakPolarHBondContact O-CB 3.38Å; L44-R47 PolarHBondContact O-N 2.96Å; L44-R47 VanDerWaalsContact O-N 3.15Å; L44-I48 HydrophobicContact CD1-CD1 4.09Å; L44-I48 HydrophobicContact CD1-CG1 4.38Å; L44-I48 HydrophobicContact CG-CD1 3.95Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 2.95Å; L44-E206 HydrophobicContact CD2-CG 4.3Å; L44-F209 HydrophobicContact CD1-CB 3.58Å; L44-F209 HydrophobicContact CD1-CG 4.45Å; L44-N210 HydrophobicContact CD1-CB 4.1Å; L44-N210 HydrophobicContact CD2-CB 3.62Å; L44-N210 WeakPolarHBondContact CD2-ND2 3.34Å
45V90.1Very high86.9Confident6 Ų655.4 Ų55.44%0.03627%0.272CS..Hα-helixtrans-54.4-48.3175172.40000111.2S41 Y42 R47 I48 E49 V230 I233S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 2.98Å; Y42-V45 PolarHBondContact O-N 3.35Å; V45-R47 VanDerWaalsContact C-N 3.3Å; V45-R47 PolarHBondContact O-N 2.88Å; V45-I48 WeakPolarHBondContact O-CB 3.41Å; V45-I48 PolarHBondContact O-N 3.05Å; V45-I48 VanDerWaalsContact O-N 3.14Å; V45-E49 WeakPolarHBondContact O-CB 3.44Å; V45-E49 PolarHBondContact O-N 2.92Å; V45-V230 HydrophobicContact CG1-CB 3.79Å; V45-V230 HydrophobicContact CG1-CG1 4.12Å; V45-V230 HydrophobicContact CG2-CB 4.36Å; V45-V230 HydrophobicContact CG2-CG1 3.76Å; V45-I233 HydrophobicContact CG2-CD1 3.41Å; V45-I233 VanDerWaalsContact CG2-CD1 3.41Å; V45-I233 HydrophobicContact CG2-CG1 4.03Å
46H90.2Very high85.8Confident94 Ų9455.8 Ų55.844%0.43527%0.274SS..Hα-helixtrans-64.8-34.3-179.1-173.960000112.6Y42 L44 E49 K50Y42-H46 WeakPolarHBondContact O-CB 3.46Å; Y42-H46 PolarHBondContact O-N 3.09Å; L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 2.81Å; H46-E49 IonicContact CE1-OE2 3.77Å; H46-E49 IonicContact ND1-OE2 3Å; H46-E49 PolarHBondContact ND1-OE2 2.94Å; H46-K50 WeakPolarHBondContact O-CB 3.45Å; H46-K50 PolarHBondContact O-N 3.26Å
47R88.3Confident85Confident152 Ų15259.4 Ų59.457%0.57429%0.289SS*.Hα-helixtrans-66.6-42172.2-72172.4-173.1-171.83.6111.8Q43 L44 V45 K50 C51Q43-R47 VanDerWaalsContact O-CG 3.3Å; Q43-R47 WeakPolarHBondContact O-CG 3.18Å; Q43-R47 PolarHBondContact O-N 3.1Å; Q43-R47 VanDerWaalsContact O-N 3.08Å; L44-R47 WeakPolarHBondContact O-CB 3.38Å; L44-R47 PolarHBondContact O-N 2.96Å; L44-R47 VanDerWaalsContact O-N 3.15Å; V45-R47 VanDerWaalsContact C-N 3.3Å; V45-R47 PolarHBondContact O-N 2.88Å; R47-K50 PolarHBondContact O-N 2.77Å; R47-C51 PolarHBondContact O-N 3.38Å; R47-C51 VanDerWaalsContact O-N 3.1Å
48I83.8Confident84.5Confident3 Ų362.9 Ų62.92%0.01530%0.3CS..Hα-helixtrans-61-51.3175.7-67.7162.8000109.5L44 V45 K50 C51 M52 L202 K205 E206 F209L44-I48 HydrophobicContact CD1-CD1 4.09Å; L44-I48 HydrophobicContact CD1-CG1 4.38Å; L44-I48 HydrophobicContact CG-CD1 3.95Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 2.95Å; V45-I48 WeakPolarHBondContact O-CB 3.41Å; V45-I48 PolarHBondContact O-N 3.05Å; V45-I48 VanDerWaalsContact O-N 3.14Å; I48-K50 PolarHBondContact O-N 3.4Å; I48-C51 PolarHBondContact O-N 2.95Å; I48-C51 VanDerWaalsContact O-N 3.16Å; I48-M52 HydrophobicContact CG2-CG 4.09Å; I48-M52 WeakPolarHBondContact O-CB 3.38Å; I48-M52 VanDerWaalsContact O-CG 3.23Å; I48-M52 WeakPolarHBondContact O-CG 3.31Å; I48-M52 PolarHBondContact O-N 3.18Å; I48-L202 HydrophobicContact CG2-CD2 3.82Å; I48-K205 HydrophobicContact CG2-CB 4.15Å; I48-K205 HydrophobicContact CG2-CG 4.13Å; I48-E206 HydrophobicContact CD1-CB 3.79Å; I48-E206 HydrophobicContact CD1-CG 4.11Å; I48-F209 HydrophobicContact CG1-CD2 3.85Å; I48-F209 HydrophobicContact CG1-CE2 4.34Å
49E86.2Confident84Confident17 Ų1763 Ų638%0.07930%0.301CS..Hα-helixtrans-51.7-52.9175.5178.3-164.7-163.200111.3V45 H46 C51 M52 Q53 C60 S61V45-E49 WeakPolarHBondContact O-CB 3.44Å; V45-E49 PolarHBondContact O-N 2.92Å; H46-E49 IonicContact CE1-OE2 3.77Å; H46-E49 IonicContact ND1-OE2 3Å; H46-E49 PolarHBondContact ND1-OE2 2.94Å; E49-C51 VanDerWaalsContact C-N 3.27Å; E49-C51 PolarHBondContact O-N 3.12Å; E49-M52 CarbonylContact O-C 3.58Å; E49-M52 WeakPolarHBondContact O-CA 3.39Å; E49-M52 PolarHBondContact O-N 2.86Å; E49-Q53 HydrophobicContact CG-CG 4.5Å; E49-Q53 WeakPolarHBondContact O-CG 3.22Å; E49-Q53 PolarHBondContact O-N 2.99Å; E49-C60 VanDerWaalsContact OE1-CA 3.26Å; E49-C60 WeakPolarHBondContact OE1-CA 3.38Å; E49-S61 PolarHBondContact OE1-N 3.46Å; E49-S61 WeakPolarHBondContact OE2-CB 3.33Å; E49-S61 PolarHBondContact OE2-N 2.83Å
50K85.3Confident83.6Confident145 Ų14562.9 Ų62.963%0.6330%0.3SS*.Hα-helixtrans-59.9-36.1-178.9-172.5176.2-177.51760112.9H46 R47 I48H46-K50 WeakPolarHBondContact O-CB 3.45Å; H46-K50 PolarHBondContact O-N 3.26Å; R47-K50 PolarHBondContact O-N 2.77Å; I48-K50 PolarHBondContact O-N 3.4Å
51C78.3Confident83.3Confident57 Ų5759 Ų5939%0.38529%0.285SS..Hα-helixtrans-74.5-31.2174.6-74.10000112.9R47 I48 E49 K205 F209R47-C51 PolarHBondContact O-N 3.38Å; R47-C51 VanDerWaalsContact O-N 3.1Å; I48-C51 PolarHBondContact O-N 2.95Å; I48-C51 VanDerWaalsContact O-N 3.16Å; E49-C51 VanDerWaalsContact C-N 3.27Å; E49-C51 PolarHBondContact O-N 3.12Å; C51-K205 HydrophobicContact CB-CD 4.37Å; C51-F209 HydrophobicContact CB-CE2 4.33Å; C51-F209 HydrophobicContact CB-CZ 4.43Å; C51-F209 VanDerWaalsContact SG-CZ 3.54Å
52M75.6Confident83.2Confident6 Ų659.1 Ų59.13%0.0329%0.286CS..Hα-helixtrans-82.6-21.9-179.6-72.3-57.1-55.100113.2I48 E49 V54 L55 D56 I59 N201 K205I48-M52 HydrophobicContact CG2-CG 4.09Å; I48-M52 WeakPolarHBondContact O-CB 3.38Å; I48-M52 VanDerWaalsContact O-CG 3.23Å; I48-M52 WeakPolarHBondContact O-CG 3.31Å; I48-M52 PolarHBondContact O-N 3.18Å; E49-M52 CarbonylContact O-C 3.58Å; E49-M52 WeakPolarHBondContact O-CA 3.39Å; E49-M52 PolarHBondContact O-N 2.86Å; M52-V54 PolarHBondContact O-N 2.75Å; M52-L55 HydrophobicContact CE-CB 4.18Å; M52-L55 HydrophobicContact CE-CD1 4.33Å; M52-L55 CarbonylContact O-C 3.55Å; M52-L55 WeakPolarHBondContact O-CA 3.14Å; M52-L55 PolarHBondContact O-N 3.32Å; M52-L55 HydrophobicContact SD-CD1 4.33Å; M52-D56 HydrophobicContact CE-CB 4.43Å; M52-D56 PolarHBondContact O-N 3.27Å; M52-I59 HydrophobicContact CB-CD1 4.05Å; M52-I59 HydrophobicContact CE-CD1 4.33Å; M52-I59 HydrophobicContact CG-CD1 4.21Å; M52-N201 HydrophobicContact CE-CB 3.42Å; M52-N201 VanDerWaalsContact CE-CB 3.42Å; M52-N201 HydrophobicContact SD-CB 4.22Å; M52-K205 HydrophobicContact CG-CG 4.41Å; M52-K205 HydrophobicContact SD-CB 4.21Å; M52-K205 HydrophobicContact SD-CG 4.33Å
53Q72.2Confident83.2Confident95 Ų9561.8 Ų61.844%0.44430%0.303SS..THydrogen-bonded Turntrans-53.7-29.2-179.9-91.9175.10.800113.6E49 L55E49-Q53 HydrophobicContact CG-CG 4.5Å; E49-Q53 WeakPolarHBondContact O-CG 3.22Å; E49-Q53 PolarHBondContact O-N 2.99Å; Q53-L55 VanDerWaalsContact C-N 3.31Å
54V67.1Low83.3Confident133 Ų13359.3 Ų59.381%0.80629%0.291SS*.THydrogen-bonded Turntrans-72.6-26176.6-177.40000112.3M52M52-V54 PolarHBondContact O-N 2.75Å
55L65.7Low83.5Confident135 Ų13560 Ų6071%0.70730%0.295SS*.THydrogen-bonded Turntrans-104.8-32.1-174.9-63.5173.6000112.7M52 Q53M52-L55 HydrophobicContact CE-CB 4.18Å; M52-L55 HydrophobicContact CE-CD1 4.33Å; M52-L55 CarbonylContact O-C 3.55Å; M52-L55 WeakPolarHBondContact O-CA 3.14Å; M52-L55 PolarHBondContact O-N 3.32Å; M52-L55 HydrophobicContact SD-CD1 4.33Å; Q53-L55 VanDerWaalsContact C-N 3.31Å
56D70.9Confident83.8Confident15 Ų1561 Ų618%0.0830%0.301CS..  trans-156.3102.5-173.4-158-28.2000111.7M52 R58 L198M52-D56 HydrophobicContact CE-CB 4.43Å; M52-D56 PolarHBondContact O-N 3.27Å; D56-R58 PolarHBondContact O-N 3.04Å; D56-R58 WeakPolarHBondContact OD1-CB 3.37Å; D56-R58 VanDerWaalsContact OD1-CG 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.05Å; D56-R58 IonicContact OD1-CZ 3.64Å; D56-R58 PolarHBondContact OD1-N 3.16Å; D56-R58 IonicContact OD1-NE 2.78Å; D56-R58 PolarHBondContact OD1-NE 2.98Å; D56-R58 IonicContact OD1-NH2 3.69Å; D56-R58 IonicContact OD2-CZ 3.42Å; D56-R58 IonicContact OD2-NE 3.32Å; D56-R58 PolarHBondContact OD2-NE 2.94Å; D56-R58 IonicContact OD2-NH2 2.7Å; D56-R58 PolarHBondContact OD2-NH2 2.99Å; D56-L198 HydrophobicContact CB-CD1 4.43Å; D56-L198 WeakPolarHBondContact OD2-CD1 3.02Å
57E77.7Confident84Confident154 Ų15456.8 Ų56.872%0.7228%0.281SS*.THydrogen-bonded Turntrans-72.3-2.5177.6-62.1-178.8168.200113.4Q227E57-Q227 PolarHBondContact O-NE2 3.02Å
58R84.1Confident84.1Confident92 Ų9254.7 Ų54.735%0.34728%0.281SS..THydrogen-bonded Turntrans-81.8-14-177-58.5174.2-66.8-1797.3113.1D56 L198 Q227 H228D56-R58 PolarHBondContact O-N 3.04Å; D56-R58 WeakPolarHBondContact OD1-CB 3.37Å; D56-R58 VanDerWaalsContact OD1-CG 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.05Å; D56-R58 IonicContact OD1-CZ 3.64Å; D56-R58 PolarHBondContact OD1-N 3.16Å; D56-R58 IonicContact OD1-NE 2.78Å; D56-R58 PolarHBondContact OD1-NE 2.98Å; D56-R58 IonicContact OD1-NH2 3.69Å; D56-R58 IonicContact OD2-CZ 3.42Å; D56-R58 IonicContact OD2-NE 3.32Å; D56-R58 PolarHBondContact OD2-NE 2.94Å; D56-R58 IonicContact OD2-NH2 2.7Å; D56-R58 PolarHBondContact OD2-NH2 2.99Å; R58-L198 HydrophobicContact CB-CD1 4.49Å; R58-Q227 CarbonylContact O-C 3.6Å; R58-Q227 VanDerWaalsContact O-CA 3.26Å; R58-Q227 WeakPolarHBondContact O-CA 3.49Å; R58-Q227 WeakPolarHBondContact O-CB 3.48Å; R58-H228 PolarHBondContact O-N 3.12Å
59I84.5Confident84.4Confident5 Ų558.7 Ų58.73%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-87.7133.7176.6-55.2173.6000108.4M52 L198 L202 H228M52-I59 HydrophobicContact CB-CD1 4.05Å; M52-I59 HydrophobicContact CE-CD1 4.33Å; M52-I59 HydrophobicContact CG-CD1 4.21Å; I59-L198 HydrophobicContact CD1-CD1 3.7Å; I59-L198 HydrophobicContact CD1-CG 4.24Å; I59-L198 HydrophobicContact CG1-CD1 3.36Å; I59-L198 HydrophobicContact CG1-CD2 4.4Å; I59-L198 HydrophobicContact CG1-CG 4.01Å; I59-L202 HydrophobicContact CD1-CD1 4.21Å; I59-L202 HydrophobicContact CD1-CD2 3.65Å; I59-L202 HydrophobicContact CD1-CG 3.72Å; I59-L202 HydrophobicContact CG2-CD2 4.2Å; I59-H228 WeakPolarHBondContact CA-O 3.44Å
60C87.6Confident84.5Confident14 Ų1465.4 Ų65.410%0.09534%0.338CS..EExtended strand (participates in β ladder)trans-132.7153.2169.965.50000112.9E49 Q227 H228 A229 V230E49-C60 VanDerWaalsContact OE1-CA 3.26Å; E49-C60 WeakPolarHBondContact OE1-CA 3.38Å; C60-Q227 HydrophobicContact CB-CB 4.37Å; C60-H228 PolarHBondContact N-O 3.34Å; C60-A229 VanDerWaalsContact O-CA 3.32Å; C60-A229 WeakPolarHBondContact O-CA 3.32Å; C60-V230 PolarHBondContact O-N 3.49Å
61S88.8Confident84.5Confident14 Ų1460.4 Ų60.410%0.09832%0.321CS..  trans-108.3119.7167.2-166.20000108.7E49E49-S61 PolarHBondContact OE1-N 3.46Å; E49-S61 WeakPolarHBondContact OE2-CB 3.33Å; E49-S61 PolarHBondContact OE2-N 2.83Å
62P92.5Very high85Confident3 Ų360.5 Ų60.52%0.01932%0.319CS..  trans-62.2136.3177.1-13.523.6000110.2F64 Q122 I125 A229 I231P62-F64 PolarHBondContact O-N 3.43Å; P62-Q122 HydrophobicContact CB-CG 3.72Å; P62-Q122 HydrophobicContact CG-CG 4.37Å; P62-I125 HydrophobicContact CB-CD1 3.88Å; P62-I125 HydrophobicContact CB-CG1 4.42Å; P62-I125 HydrophobicContact CG-CD1 3.66Å; P62-I125 HydrophobicContact CG-CG1 4.49Å; P62-A229 HydrophobicContact CG-CB 3.99Å; P62-I231 HydrophobicContact CG-CG2 4.06Å
63P94.3Very high85.7Confident57 Ų5765.1 Ų65.137%0.3735%0.35SS..  trans-51.8133.1175.3-26.434000111.1L84 Q122 S123P63-L84 HydrophobicContact CB-CD1 4.31Å; P63-L84 HydrophobicContact CB-CG 4.16Å; P63-Q122 WeakPolarHBondContact O-CA 3.23Å; P63-S123 PolarHBondContact O-N 3.02Å
64F96.1Very high86.6Confident37 Ų3766.1 Ų66.116%0.16236%0.358CS..EExtended strand (participates in β ladder)trans-142.2155.7-178.879.4-84.1000111.2Y42 Q43 P62 V120 I121 Q122Y42-F64 VanDerWaalsContact CB-CE1 3.4Å; Y42-F64 VanDerWaalsContact CB-CZ 3.41Å; Y42-F64 HydrophobicContact CD2-CB 4.19Å; Y42-F64 HydrophobicContact CD2-CD1 4.24Å; Y42-F64 AromaticContact CD2-CD2 3.77Å; Y42-F64 HydrophobicContact CD2-CD2 3.77Å; Y42-F64 HydrophobicContact CD2-CE2 4.21Å; Y42-F64 AromaticContact CD2-CG 3.79Å; Y42-F64 HydrophobicContact CD2-CG 3.79Å; Y42-F64 HydrophobicContact CG-CD1 4.42Å; Y42-F64 HydrophobicContact CG-CD2 4.45Å; Y42-F64 HydrophobicContact CG-CG 4.39Å; Q43-F64 HydrophobicContact CG-CZ 4Å; P62-F64 PolarHBondContact O-N 3.43Å; F64-V120 HydrophobicContact CB-CG1 4.26Å; F64-V120 HydrophobicContact CD2-CG1 3.92Å; F64-I121 CarbonylContact C-O 3.39Å; F64-I121 WeakPolarHBondContact CA-O 3.25Å; F64-I121 WeakPolarHBondContact CB-O 3.43Å; F64-Q122 HydrophobicContact CB-CB 4.04Å; F64-Q122 HydrophobicContact CB-CG 4.14Å
65M95.3Very high87.7Confident26 Ų2660.8 Ų60.813%0.12833%0.326CS..EExtended strand (participates in β ladder)trans-143.5149.7177.5-176.5-178.8160.600109.9L67 V75 Q78 I79 L84 V120 I121M65-L67 HydrophobicContact CE-CD2 3.98Å; M65-L67 HydrophobicContact SD-CD2 4.4Å; M65-V75 HydrophobicContact CE-CG1 4.23Å; M65-Q78 HydrophobicContact CE-CB 4Å; M65-Q78 HydrophobicContact SD-CB 4.27Å; M65-I79 HydrophobicContact SD-CG1 3.95Å; M65-L84 HydrophobicContact CB-CD1 4.16Å; M65-L84 HydrophobicContact CB-CD2 4.19Å; M65-V120 WeakPolarHBondContact O-CA 3.4Å; M65-I121 HydrophobicContact CB-CD1 4.23Å; M65-I121 HydrophobicContact CB-CG1 3.91Å; M65-I121 PolarHBondContact N-O 2.94Å; M65-I121 WeakPolarHBondContact O-CG1 3.29Å; M65-I121 PolarHBondContact O-N 3.48Å
66V95.5Very high88.9Confident27 Ų2756.1 Ų56.116%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-92.7125.6170.5-176.90000109.4C39 N68 C119 V120C39-V66 HydrophobicContact CB-CG2 3.55Å; C39-V66 WeakPolarHBondContact SG-CG2 3.39Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.23Å; V66-C119 WeakPolarHBondContact CA-O 3.38Å; V66-V120 HydrophobicContact CG2-CG2 4.35Å
67L93.6Very high89.9Confident6 Ų660.8 Ų60.83%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-94.7114.1167-57.4-174.5000108.4M65 V75 P118 C119 I121M65-L67 HydrophobicContact CE-CD2 3.98Å; M65-L67 HydrophobicContact SD-CD2 4.4Å; L67-V75 HydrophobicContact CD2-CG1 3.59Å; L67-P118 VanDerWaalsContact O-CA 3.27Å; L67-P118 WeakPolarHBondContact O-CA 3.28Å; L67-C119 PolarHBondContact N-O 3.2Å; L67-C119 PolarHBondContact O-N 3.24Å; L67-I121 HydrophobicContact CD1-CD1 4.15Å; L67-I121 HydrophobicContact CD1-CG1 4.47Å; L67-I121 HydrophobicContact CD1-CG2 3.56Å; L67-I121 HydrophobicContact CD2-CD1 3.96Å; L67-I121 HydrophobicContact CD2-CG1 4.43Å; L67-I121 HydrophobicContact CG-CD1 4.08Å; L67-I121 HydrophobicContact CG-CG1 4.17Å; L67-I121 HydrophobicContact CG-CG2 3.96Å
68N90.8Very high90.7Very high107 Ų10757.6 Ų57.657%0.57231%0.308SS*.  trans-92.1-25.1175.9-65.6-53.8000112.4V66V66-N68 WeakPolarHBondContact CG1-OD1 3.23Å
69T89.7Confident91.1Very high88 Ų8853.5 Ų53.554%0.5429%0.293SS..SBendtrans-132.6171-178.157.60000109.6P117T69-P117 WeakPolarHBondContact O-CG 3.29Å
70E88.9Confident91.4Very high158 Ų15859.3 Ų59.374%0.73832%0.318SS*.  trans-56.8157.2174.5-64.8-179.7-18000111.4T72E70-T72 PolarHBondContact O-N 3.41Å
71C86Confident91.7Very high40 Ų4064.4 Ų64.427%0.2734%0.343SS..  trans-71.7117.6-175.8-163.50000110.6L76 L112C71-L76 VanDerWaalsContact SG-CD2 3.52Å; C71-L112 HydrophobicContact CB-CB 4.01Å
72T89.3Confident91.8Very high58 Ų5868.3 Ų68.336%0.35636%0.36SS..  trans-108.1165.8172.865.30000110.2E70 D74 V75 L76E70-T72 PolarHBondContact O-N 3.41Å; T72-D74 PolarHBondContact O-N 2.95Å; T72-V75 WeakPolarHBondContact O-CA 3.24Å; T72-V75 WeakPolarHBondContact O-CB 3.38Å; T72-V75 PolarHBondContact O-N 3.06Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.37Å; T72-V75 PolarHBondContact OG1-N 2.82Å; T72-L76 PolarHBondContact O-N 3.35Å
73P90.1Very high91.8Very high104 Ų10470.2 Ų70.268%0.67538%0.38SS*.Hα-helixtrans-52.4-38.9173.5-28.436.6000113.4V75 L76 E77P73-V75 PolarHBondContact O-N 3.1Å; P73-L76 WeakPolarHBondContact O-CB 3.36Å; P73-L76 PolarHBondContact O-N 3.27Å; P73-E77 PolarHBondContact O-N 3.46Å
74D90.5Very high91.9Very high116 Ų11668 Ų6862%0.6237%0.365SS*.Hα-helixtrans-63.6-40.6176.1-57.8-16.9000111.7T72 L76 E77 Q78T72-D74 PolarHBondContact O-N 2.95Å; D74-L76 VanDerWaalsContact C-N 3.33Å; D74-L76 PolarHBondContact O-N 3.4Å; D74-E77 PolarHBondContact O-N 3.34Å; D74-Q78 WeakPolarHBondContact O-CG 3.3Å; D74-Q78 PolarHBondContact O-N 3.49Å
75V90.5Very high91.8Very high21 Ų2170.5 Ų70.513%0.12738%0.384CS..Hα-helixtrans-63.5-40.2175.4171.50000110.8M65 L67 T72 P73 E77 Q78 I79M65-V75 HydrophobicContact CE-CG1 4.23Å; L67-V75 HydrophobicContact CD2-CG1 3.59Å; T72-V75 WeakPolarHBondContact O-CA 3.24Å; T72-V75 WeakPolarHBondContact O-CB 3.38Å; T72-V75 PolarHBondContact O-N 3.06Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.37Å; T72-V75 PolarHBondContact OG1-N 2.82Å; P73-V75 PolarHBondContact O-N 3.1Å; V75-E77 VanDerWaalsContact C-N 3.32Å; V75-E77 PolarHBondContact O-N 2.98Å; V75-Q78 PolarHBondContact O-N 2.91Å; V75-I79 HydrophobicContact CG1-CD1 4.08Å; V75-I79 HydrophobicContact CG1-CG1 4.47Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.26Å; V75-I79 PolarHBondContact O-N 3.47Å
76L90.9Very high91.7Very high36 Ų3670.4 Ų70.419%0.18838%0.382CS..Hα-helixtrans-62.7-39.1175.5-67.6173.2000112C71 T72 P73 D74 I79 K80 E109 L112C71-L76 VanDerWaalsContact SG-CD2 3.52Å; T72-L76 PolarHBondContact O-N 3.35Å; P73-L76 WeakPolarHBondContact O-CB 3.36Å; P73-L76 PolarHBondContact O-N 3.27Å; D74-L76 VanDerWaalsContact C-N 3.33Å; D74-L76 PolarHBondContact O-N 3.4Å; L76-I79 HydrophobicContact CD2-CD1 4.42Å; L76-I79 PolarHBondContact O-N 2.89Å; L76-K80 WeakPolarHBondContact O-CG 3.35Å; L76-K80 PolarHBondContact O-N 3.49Å; L76-K80 VanDerWaalsContact O-N 3.14Å; L76-E109 HydrophobicContact CD2-CB 4.1Å; L76-E109 HydrophobicContact CD2-CG 4.03Å; L76-L112 HydrophobicContact CD2-CD1 3.56Å
77E92.3Very high91.7Very high114 Ų11469.3 Ų69.353%0.53338%0.376SS..Hα-helixtrans-63.9-43.7173.5-169.8177.9-174.600111.1P73 D74 V75 I79 K80 L81P73-E77 PolarHBondContact O-N 3.46Å; D74-E77 PolarHBondContact O-N 3.34Å; V75-E77 VanDerWaalsContact C-N 3.32Å; V75-E77 PolarHBondContact O-N 2.98Å; E77-I79 VanDerWaalsContact C-N 3.34Å; E77-I79 PolarHBondContact O-N 2.99Å; E77-K80 WeakPolarHBondContact O-CB 3.49Å; E77-K80 PolarHBondContact O-N 3.1Å; E77-L81 HydrophobicContact CG-CD1 4.17Å; E77-L81 HydrophobicContact CG-CG 4.46Å; E77-L81 WeakPolarHBondContact O-CG 3.3Å; E77-L81 PolarHBondContact O-N 2.91Å
78Q92.5Very high91.8Very high86 Ų8669.1 Ų69.140%0.40238%0.375SS..Hα-helixtrans-61-40.4175.2-67.2-56.6-47.900112.7M65 D74 V75 K80 L81 Q82M65-Q78 HydrophobicContact CE-CB 4Å; M65-Q78 HydrophobicContact SD-CB 4.27Å; D74-Q78 WeakPolarHBondContact O-CG 3.3Å; D74-Q78 PolarHBondContact O-N 3.49Å; V75-Q78 PolarHBondContact O-N 2.91Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.06Å; Q78-L81 PolarHBondContact O-N 2.91Å; Q78-Q82 WeakPolarHBondContact O-CB 3.31Å; Q78-Q82 WeakPolarHBondContact O-CG 3.46Å; Q78-Q82 PolarHBondContact O-N 2.94Å
79I93.3Very high92.1Very high6 Ų664.9 Ų64.93%0.03135%0.352CS..Hα-helixtrans-57.4-46174.9-73.2170.3000110.4M65 V75 L76 E77 Q82 G83 L84 F88 L112 I121M65-I79 HydrophobicContact SD-CG1 3.95Å; V75-I79 HydrophobicContact CG1-CD1 4.08Å; V75-I79 HydrophobicContact CG1-CG1 4.47Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.26Å; V75-I79 PolarHBondContact O-N 3.47Å; L76-I79 HydrophobicContact CD2-CD1 4.42Å; L76-I79 PolarHBondContact O-N 2.89Å; E77-I79 VanDerWaalsContact C-N 3.34Å; E77-I79 PolarHBondContact O-N 2.99Å; I79-Q82 PolarHBondContact O-N 3.19Å; I79-G83 PolarHBondContact O-N 3.34Å; I79-L84 HydrophobicContact CG2-CB 3.84Å; I79-L84 PolarHBondContact O-N 3Å; I79-L84 VanDerWaalsContact O-N 3.17Å; I79-F88 HydrophobicContact CG2-CE2 4.08Å; I79-F88 HydrophobicContact CG2-CZ 3.58Å; I79-L112 HydrophobicContact CD1-CD1 4.01Å; I79-I121 HydrophobicContact CD1-CD1 3.69Å; I79-I121 HydrophobicContact CG1-CD1 3.79Å
80K91.3Very high92.4Very high127 Ų12761 Ų6155%0.55233%0.328SS*.Hα-helixtrans-64.7-44.8177.8-71.3169.2-178.7164.70111.6L76 E77 Q78 Q82 G83 E109L76-K80 WeakPolarHBondContact O-CG 3.35Å; L76-K80 PolarHBondContact O-N 3.49Å; L76-K80 VanDerWaalsContact O-N 3.14Å; E77-K80 WeakPolarHBondContact O-CB 3.49Å; E77-K80 PolarHBondContact O-N 3.1Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.06Å; K80-Q82 VanDerWaalsContact C-N 3.31Å; K80-Q82 PolarHBondContact O-N 2.93Å; K80-G83 PolarHBondContact O-N 3.06Å; K80-G83 VanDerWaalsContact O-N 3.11Å; K80-E109 WeakPolarHBondContact CE-OE1 3.39Å; K80-E109 IonicContact NZ-OE1 2.79Å; K80-E109 PolarHBondContact NZ-OE1 3.08Å; K80-E109 IonicContact NZ-OE2 3.84Å
81L93.1Very high92.7Very high121 Ų12153.9 Ų53.963%0.63430%0.295SS*.Hα-helixtrans-64.3-33.5179.1-71.5172.4000112.9E77 Q78 G83E77-L81 HydrophobicContact CG-CD1 4.17Å; E77-L81 HydrophobicContact CG-CG 4.46Å; E77-L81 WeakPolarHBondContact O-CG 3.3Å; E77-L81 PolarHBondContact O-N 2.91Å; Q78-L81 PolarHBondContact O-N 2.91Å; L81-G83 PolarHBondContact O-N 2.84Å
82Q91.1Very high93.1Very high97 Ų9753.9 Ų53.945%0.45329%0.294SS..THydrogen-bonded Turntrans-82.61.2176.4-68.3-167.80.800113.6Q78 I79 K80 L84Q78-Q82 WeakPolarHBondContact O-CB 3.31Å; Q78-Q82 WeakPolarHBondContact O-CG 3.46Å; Q78-Q82 PolarHBondContact O-N 2.94Å; I79-Q82 PolarHBondContact O-N 3.19Å; K80-Q82 VanDerWaalsContact C-N 3.31Å; K80-Q82 PolarHBondContact O-N 2.93Å; Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 HydrophobicContact CB-CD1 3.51Å; Q82-L84 PolarHBondContact O-N 3.32Å
83G93.3Very high93.2Very high42 Ų4255.3 Ų55.343%0.43329%0.293SS..THydrogen-bonded Turntrans70.523.4175.900000114.1I79 K80 L81I79-G83 PolarHBondContact O-N 3.34Å; K80-G83 PolarHBondContact O-N 3.06Å; K80-G83 VanDerWaalsContact O-N 3.11Å; L81-G83 PolarHBondContact O-N 2.84Å
84L95Very high93.4Very high12 Ų1254.7 Ų54.76%0.06329%0.287CS..  trans-72.5137.1172.7-80.588.7000109.9P63 M65 I79 Q82 F88 I121 S123P63-L84 HydrophobicContact CB-CD1 4.31Å; P63-L84 HydrophobicContact CB-CG 4.16Å; M65-L84 HydrophobicContact CB-CD1 4.16Å; M65-L84 HydrophobicContact CB-CD2 4.19Å; I79-L84 HydrophobicContact CG2-CB 3.84Å; I79-L84 PolarHBondContact O-N 3Å; I79-L84 VanDerWaalsContact O-N 3.17Å; Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 HydrophobicContact CB-CD1 3.51Å; Q82-L84 PolarHBondContact O-N 3.32Å; L84-F88 HydrophobicContact CB-CE1 3.7Å; L84-F88 HydrophobicContact CB-CZ 4.08Å; L84-F88 HydrophobicContact CD2-CE1 4.4Å; L84-I121 HydrophobicContact CD2-CB 4.44Å; L84-I121 HydrophobicContact CD2-CD1 3.74Å; L84-I121 HydrophobicContact CD2-CG1 3.69Å; L84-S123 WeakPolarHBondContact CA-OG 3.48Å
85T94.3Very high93.3Very high89 Ų8949.5 Ų49.555%0.54626%0.26SS..  trans-126.8143.5-179.355.90000112.4F88 S123T85-F88 VanDerWaalsContact O-CD1 3.22Å; T85-F88 WeakPolarHBondContact O-CD1 3.46Å; T85-F88 WeakPolarHBondContact O-CE1 3.45Å; T85-S123 PolarHBondContact N-OG 3.49Å
86F94.1Very high93.1Very high23 Ų2354.6 Ų54.610%0.10128%0.282CS..SBendtrans-70.7148.2176.3-72.8-76.3000112F88 I106 S108 E109 L112 G155 P156F86-F88 HydrophobicContact CD1-CD1 4.42Å; F86-F88 AromaticContact CD1-CD2 3.74Å; F86-F88 HydrophobicContact CD1-CD2 3.74Å; F86-F88 HydrophobicContact CD1-CE1 4.37Å; F86-F88 AromaticContact CD1-CE2 3.71Å; F86-F88 HydrophobicContact CD1-CE2 3.71Å; F86-F88 HydrophobicContact CD1-CG 4.11Å; F86-F88 HydrophobicContact CD1-CZ 4.02Å; F86-F88 HydrophobicContact CD2-CE2 4.38Å; F86-F88 HydrophobicContact CD2-CZ 4.13Å; F86-F88 AromaticContact CE1-CD2 3.34Å; F86-F88 HydrophobicContact CE1-CD2 3.34Å; F86-F88 AromaticContact CE1-CE2 3.16Å; F86-F88 HydrophobicContact CE1-CE2 3.16Å; F86-F88 HydrophobicContact CE1-CG 4.17Å; F86-F88 AromaticContact CE1-CZ 3.84Å; F86-F88 HydrophobicContact CE1-CZ 3.84Å; F86-F88 AromaticContact CE2-CE2 3.92Å; F86-F88 HydrophobicContact CE2-CE2 3.92Å; F86-F88 AromaticContact CE2-CZ 3.96Å; F86-F88 HydrophobicContact CE2-CZ 3.96Å; F86-F88 HydrophobicContact CG-CE1 4.44Å; F86-F88 HydrophobicContact CG-CE2 4.29Å; F86-F88 HydrophobicContact CG-CZ 4.16Å; F86-F88 AromaticContact CZ-CD2 3.96Å; F86-F88 HydrophobicContact CZ-CD2 3.96Å; F86-F88 AromaticContact CZ-CE2 3.28Å; F86-F88 HydrophobicContact CZ-CE2 3.28Å; F86-F88 AromaticContact CZ-CZ 3.8Å; F86-F88 HydrophobicContact CZ-CZ 3.8Å; F86-I106 HydrophobicContact CE1-CG2 4Å; F86-S108 VanDerWaalsContact CE1-O 3.24Å; F86-S108 WeakPolarHBondContact CE1-O 3.38Å; F86-S108 WeakPolarHBondContact CZ-O 3.26Å; F86-E109 HydrophobicContact CE2-CG 3.67Å; F86-E109 HydrophobicContact CZ-CB 4.38Å; F86-E109 HydrophobicContact CZ-CG 3.86Å; F86-E109 VanDerWaalsContact CZ-N 3.31Å; F86-L112 HydrophobicContact CZ-CD1 4.21Å; F86-G155 WeakPolarHBondContact O-CA 3.46Å; F86-G155 PolarHBondContact O-N 3.43Å; F86-P156 HydrophobicContact CB-CG 4.47Å; F86-P156 HydrophobicContact CD2-CG 4.07Å
87P95.8Very high92.8Very high5 Ų554.5 Ų54.53%0.03229%0.29CS..SBendcis-75.7154.4-223.9-23.6000112.9I105 I106 F107 F124 F152P87-I105 HydrophobicContact CB-CG2 3.93Å; P87-I106 CarbonylContact C-O 3.54Å; P87-I106 VanDerWaalsContact CA-O 3.22Å; P87-I106 WeakPolarHBondContact CA-O 3.31Å; P87-I106 WeakPolarHBondContact CB-O 3.48Å; P87-F107 HydrophobicContact CB-CD1 3.78Å; P87-F107 HydrophobicContact CB-CE1 3.94Å; P87-F107 HydrophobicContact CG-CD1 4.33Å; P87-F107 HydrophobicContact CG-CE1 4.23Å; P87-F124 HydrophobicContact CB-CB 4.34Å; P87-F124 HydrophobicContact CG-CB 3.93Å; P87-F124 HydrophobicContact CG-CD1 4.21Å; P87-F124 HydrophobicContact CG-CG 4.28Å; P87-F124 WeakPolarHBondContact O-CA 3.2Å; P87-F124 WeakPolarHBondContact O-CB 3.4Å; P87-F124 PolarHBondContact O-N 3.42Å; P87-F152 HydrophobicContact CG-CB 4.11Å
88F95.4Very high92.1Very high1 Ų155.5 Ų55.50%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-98.5143.6172.1-56-38.3000110.7I79 L84 T85 F86 I105 I106 L112 Q122I79-F88 HydrophobicContact CG2-CE2 4.08Å; I79-F88 HydrophobicContact CG2-CZ 3.58Å; L84-F88 HydrophobicContact CB-CE1 3.7Å; L84-F88 HydrophobicContact CB-CZ 4.08Å; L84-F88 HydrophobicContact CD2-CE1 4.4Å; T85-F88 VanDerWaalsContact O-CD1 3.22Å; T85-F88 WeakPolarHBondContact O-CD1 3.46Å; T85-F88 WeakPolarHBondContact O-CE1 3.45Å; F86-F88 HydrophobicContact CD1-CD1 4.42Å; F86-F88 AromaticContact CD1-CD2 3.74Å; F86-F88 HydrophobicContact CD1-CD2 3.74Å; F86-F88 HydrophobicContact CD1-CE1 4.37Å; F86-F88 AromaticContact CD1-CE2 3.71Å; F86-F88 HydrophobicContact CD1-CE2 3.71Å; F86-F88 HydrophobicContact CD1-CG 4.11Å; F86-F88 HydrophobicContact CD1-CZ 4.02Å; F86-F88 HydrophobicContact CD2-CE2 4.38Å; F86-F88 HydrophobicContact CD2-CZ 4.13Å; F86-F88 AromaticContact CE1-CD2 3.34Å; F86-F88 HydrophobicContact CE1-CD2 3.34Å; F86-F88 AromaticContact CE1-CE2 3.16Å; F86-F88 HydrophobicContact CE1-CE2 3.16Å; F86-F88 HydrophobicContact CE1-CG 4.17Å; F86-F88 AromaticContact CE1-CZ 3.84Å; F86-F88 HydrophobicContact CE1-CZ 3.84Å; F86-F88 AromaticContact CE2-CE2 3.92Å; F86-F88 HydrophobicContact CE2-CE2 3.92Å; F86-F88 AromaticContact CE2-CZ 3.96Å; F86-F88 HydrophobicContact CE2-CZ 3.96Å; F86-F88 HydrophobicContact CG-CE1 4.44Å; F86-F88 HydrophobicContact CG-CE2 4.29Å; F86-F88 HydrophobicContact CG-CZ 4.16Å; F86-F88 AromaticContact CZ-CD2 3.96Å; F86-F88 HydrophobicContact CZ-CD2 3.96Å; F86-F88 AromaticContact CZ-CE2 3.28Å; F86-F88 HydrophobicContact CZ-CE2 3.28Å; F86-F88 AromaticContact CZ-CZ 3.8Å; F86-F88 HydrophobicContact CZ-CZ 3.8Å; F88-I105 CarbonylContact O-C 3.45Å; F88-I105 VanDerWaalsContact O-CA 3.24Å; F88-I105 WeakPolarHBondContact O-CA 3.22Å; F88-I106 HydrophobicContact CB-CB 4.4Å; F88-I106 PolarHBondContact N-O 2.78Å; F88-I106 PolarHBondContact O-N 2.97Å; F88-L112 HydrophobicContact CD2-CD2 4Å; F88-L112 HydrophobicContact CE2-CD1 4.39Å; F88-L112 HydrophobicContact CE2-CD2 4.3Å; F88-Q122 CarbonylContact C-O 3.52Å; F88-Q122 WeakPolarHBondContact CA-O 3.43Å
89I96.3Very high91.6Very high18 Ų1856.8 Ų56.89%0.09231%0.314CS..EExtended strand (participates in β ladder)trans-96.3124.2158.7-171168.1000109.3K91 M103 A104 Q122 F124 L149 F164I89-K91 HydrophobicContact CG1-CG 4.31Å; I89-M103 HydrophobicContact CD1-SD 4.21Å; I89-A104 CarbonylContact C-O 3.51Å; I89-A104 WeakPolarHBondContact CA-O 3.28Å; I89-Q122 HydrophobicContact CG2-CB 3.96Å; I89-Q122 PolarHBondContact N-O 2.9Å; I89-Q122 PolarHBondContact O-N 3.32Å; I89-F124 HydrophobicContact CB-CD2 4.4Å; I89-L149 HydrophobicContact CD1-CD1 4.02Å; I89-F164 HydrophobicContact CD1-CZ 4.09Å
90C95.6Very high91.3Very high6 Ų656.7 Ų56.74%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-99.7129.9175.6-53.90000109.5M103 A104 I106 V115 V120C90-M103 VanDerWaalsContact O-CA 3.23Å; C90-M103 WeakPolarHBondContact O-CA 3.46Å; C90-M103 WeakPolarHBondContact O-CB 3.15Å; C90-A104 HydrophobicContact CB-CB 4.16Å; C90-A104 PolarHBondContact N-O 3.28Å; C90-A104 PolarHBondContact O-N 2.84Å; C90-I106 WeakPolarHBondContact SG-CG1 3.45Å; C90-V115 HydrophobicContact CB-CG1 4.07Å; C90-V115 HydrophobicContact CB-CG2 4.37Å; C90-V115 VanDerWaalsContact SG-CG2 3.57Å; C90-V120 CarbonylContact C-O 3.58Å; C90-V120 WeakPolarHBondContact CA-O 3.27Å
91K95.6Very high91.1Very high9 Ų951.8 Ų51.84%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-128.3146.6-178.6-59.2169.6177.6170.30108.4Y42 I89 M103 C119 V120 I231Y42-K91 WeakPolarHBondContact OH-CD 3.42Å; Y42-K91 PolarHBondContact OH-NZ 3.31Å; I89-K91 HydrophobicContact CG1-CG 4.31Å; K91-M103 HydrophobicContact CD-CE 4.43Å; K91-M103 HydrophobicContact CG-CE 4.06Å; K91-M103 HydrophobicContact CG-CG 4.18Å; K91-M103 HydrophobicContact CG-SD 3.97Å; K91-C119 CarbonylContact O-C 3.56Å; K91-C119 WeakPolarHBondContact O-CA 3.34Å; K91-C119 VanDerWaalsContact O-CB 3.32Å; K91-C119 WeakPolarHBondContact O-CB 3.41Å; K91-V120 PolarHBondContact N-O 3.46Å; K91-V120 PolarHBondContact O-N 2.93Å; K91-I231 PolarHBondContact NZ-O 3.47Å
92T94.2Very high91.1Very high41 Ų4150.3 Ų50.325%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-59.6149.8170.549.50000110.7R38 V94 S100R38-T92 WeakPolarHBondContact CD-O 3.38Å; R38-T92 PolarHBondContact NH1-O 3.44Å; R38-T92 PolarHBondContact NH1-OG1 3.11Å; T92-V94 PolarHBondContact OG1-O 3.01Å; T92-V94 VanDerWaalsContact OG1-O 3.09Å; T92-S100 VanDerWaalsContact OG1-CA 3.29Å; T92-S100 WeakPolarHBondContact OG1-CA 3.02Å; T92-S100 PolarHBondContact OG1-O 3.17Å
93R93.1Very high91.2Very high88 Ų8846.6 Ų46.633%0.33227%0.265SS..SBendtrans-68.7-41.6177.5-179175.2169.1-169.7-7.1112D37 R38 A95D37-R93 WeakPolarHBondContact OD1-CG 3.47Å; D37-R93 IonicContact OD1-NE 3.23Å; D37-R93 PolarHBondContact OD1-NE 3.43Å; D37-R93 IonicContact OD2-CZ 3.33Å; D37-R93 IonicContact OD2-NE 3.01Å; D37-R93 PolarHBondContact OD2-NE 3.32Å; D37-R93 IonicContact OD2-NH2 2.78Å; D37-R93 PolarHBondContact OD2-NH2 2.81Å; R38-R93 PolarHBondContact N-O 2.98Å; R93-A95 PolarHBondContact O-N 3.33Å
94V92.7Very high91.3Very high91 Ų9144.9 Ų44.955%0.55225%0.247SC*.BIsolated β-bridgetrans-67.9121.3172.8-179.60000108.4R38 T92 H96 S100R38-V94 PolarHBondContact NH1-O 2.84Å; T92-V94 PolarHBondContact OG1-O 3.01Å; T92-V94 VanDerWaalsContact OG1-O 3.09Å; V94-H96 WeakPolarHBondContact CG1-O 3.41Å; V94-S100 VanDerWaalsContact O-CB 3.31Å; V94-S100 WeakPolarHBondContact O-CB 3.46Å
95A88.3Confident91.3Very high6 Ų644.3 Ų44.35%0.0524%0.244CC..  trans-83-20-169.700000114.1L35 L36 R38 R93L35-A95 WeakPolarHBondContact O-CB 3.21Å; L36-A95 PolarHBondContact O-N 3.37Å; R38-A95 HydrophobicContact CG-CB 3.66Å; R38-A95 PolarHBondContact NH2-O 3.48Å; R93-A95 PolarHBondContact O-N 3.33Å
96H87.6Confident91.3Very high129 Ų12940 Ų4060%0.59722%0.218SC*.SBendtrans-142.6149.9-173.9-168.2-89.8000112.5L36 V94 S100L36-H96 HydrophobicContact CD2-CB 3.96Å; V94-H96 WeakPolarHBondContact CG1-O 3.41Å; H96-S100 VanDerWaalsContact CA-OG 3.23Å; H96-S100 WeakPolarHBondContact CA-OG 3.35Å
97G84.1Confident91.3Very high34 Ų3439 Ų3935%0.35121%0.213SC..SBendtrans115.7-170.3176.900000113.6N99 S100G97-N99 PolarHBondContact O-N 2.92Å; G97-S100 PolarHBondContact N-OG 3.24Å; G97-S100 PolarHBondContact O-N 3.33Å; G97-S100 PolarHBondContact O-OG 3.38Å
98T77.9Confident91.1Very high135 Ų13539.8 Ų39.883%0.82822%0.219SC*.THydrogen-bonded Turntrans-62.7127.7178.9-43.40000109.5S100T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.24Å
99N82.1Confident90.9Very high113 Ų11343.6 Ų43.660%0.60424%0.236SC*.THydrogen-bonded Turntrans70.82.6-177.9-46.9-33.2000116.8G97 H101 E102G97-N99 PolarHBondContact O-N 2.92Å; N99-H101 PolarHBondContact O-N 2.86Å; N99-H101 VanDerWaalsContact O-N 3.11Å; N99-E102 PolarHBondContact O-N 3.46Å
100S86.4Confident90.5Very high4 Ų449.8 Ų49.83%0.02827%0.265CS..THydrogen-bonded Turntrans-70.3-6.417662.80000114R38 T92 V94 H96 G97 T98R38-S100 PolarHBondContact NH1-O 3.19Å; R38-S100 VanDerWaalsContact NH1-O 3.1Å; R38-S100 PolarHBondContact NH2-O 3.04Å; T92-S100 VanDerWaalsContact OG1-CA 3.29Å; T92-S100 WeakPolarHBondContact OG1-CA 3.02Å; T92-S100 PolarHBondContact OG1-O 3.17Å; V94-S100 VanDerWaalsContact O-CB 3.31Å; V94-S100 WeakPolarHBondContact O-CB 3.46Å; H96-S100 VanDerWaalsContact CA-OG 3.23Å; H96-S100 WeakPolarHBondContact CA-OG 3.35Å; G97-S100 PolarHBondContact N-OG 3.24Å; G97-S100 PolarHBondContact O-N 3.33Å; G97-S100 PolarHBondContact O-OG 3.38Å; T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.24Å
101H87.8Confident90.1Very high23 Ų2350.6 Ų50.611%0.10627%0.269CS..THydrogen-bonded Turntrans-106.1-4.7-173.9-65-65.7000113.5N99 M103 N165 S166 H167N99-H101 PolarHBondContact O-N 2.86Å; N99-H101 VanDerWaalsContact O-N 3.11Å; H101-M103 PolarHBondContact O-N 3.16Å; H101-N165 CarbonylContact O-C 3.53Å; H101-N165 WeakPolarHBondContact O-CA 3.41Å; H101-S166 VanDerWaalsContact CB-OG 3.3Å; H101-S166 WeakPolarHBondContact CB-OG 3.36Å; H101-S166 PolarHBondContact ND1-OG 3.35Å; H101-S166 VanDerWaalsContact ND1-OG 3.11Å; H101-S166 PolarHBondContact O-N 3.14Å; H101-S166 PolarHBondContact O-OG 3.22Å; H101-H167 AromaticContact CD2-CD2 3.93Å; H101-H167 AromaticContact CD2-CE1 3.68Å; H101-H167 AromaticContact CD2-NE2 3.18Å; H101-H167 PolarHBondContact CD2-NE2 3.06Å; H101-H167 AromaticContact CE1-CE1 3.55Å; H101-H167 AromaticContact CE1-NE2 3.85Å; H101-H167 AromaticContact CG-CD2 3.95Å; H101-H167 AromaticContact CG-CE1 3.75Å; H101-H167 AromaticContact CG-NE2 3.52Å; H101-H167 AromaticContact ND1-CE1 3.67Å; H101-H167 AromaticContact ND1-NE2 3.91Å; H101-H167 AromaticContact NE2-CE1 3.57Å; H101-H167 AromaticContact NE2-NE2 3.44Å; H101-H167 PolarHBondContact NE2-NE2 3.33Å
102E91.7Very high89.8Confident91 Ų9150.3 Ų50.343%0.42527%0.268SS..EExtended strand (participates in β ladder)trans-72.1123.4170.6-62.5-56.3140.900109.3N99 N165N99-E102 PolarHBondContact O-N 3.46Å; E102-N165 PolarHBondContact OE1-ND2 2.9Å
103M94.6Very high89.5Confident18 Ų1855.7 Ų55.79%0.08929%0.288CS..EExtended strand (participates in β ladder)trans-133.5159.9-175.8-65.8-175.3-173.900110.3I89 C90 K91 H101 F164I89-M103 HydrophobicContact CD1-SD 4.21Å; C90-M103 VanDerWaalsContact O-CA 3.23Å; C90-M103 WeakPolarHBondContact O-CA 3.46Å; C90-M103 WeakPolarHBondContact O-CB 3.15Å; K91-M103 HydrophobicContact CD-CE 4.43Å; K91-M103 HydrophobicContact CG-CE 4.06Å; K91-M103 HydrophobicContact CG-CG 4.18Å; K91-M103 HydrophobicContact CG-SD 3.97Å; H101-M103 PolarHBondContact O-N 3.16Å; M103-F164 HydrophobicContact CB-CD1 4.25Å; M103-F164 HydrophobicContact CB-CD2 4.44Å; M103-F164 HydrophobicContact CB-CE1 3.65Å; M103-F164 HydrophobicContact CB-CE2 3.91Å; M103-F164 HydrophobicContact CB-CZ 3.47Å; M103-F164 VanDerWaalsContact CB-CZ 3.47Å; M103-F164 HydrophobicContact CG-CE2 4.49Å; M103-F164 HydrophobicContact CG-CZ 4.29Å; M103-F164 PolarHBondContact N-O 3.31Å; M103-F164 PolarHBondContact O-N 3.38Å; M103-F164 VanDerWaalsContact O-O 3.13Å; M103-F164 HydrophobicContact SD-CE2 4.08Å; M103-F164 HydrophobicContact SD-CZ 3.98Å
104A94.4Very high89.1Confident6 Ų654.7 Ų54.75%0.0529%0.289CS..EExtended strand (participates in β ladder)trans-133153173.300000111.6I89 C90 I106 I162 F163I89-A104 CarbonylContact C-O 3.51Å; I89-A104 WeakPolarHBondContact CA-O 3.28Å; C90-A104 HydrophobicContact CB-CB 4.16Å; C90-A104 PolarHBondContact N-O 3.28Å; C90-A104 PolarHBondContact O-N 2.84Å; A104-I106 HydrophobicContact CB-CD1 4.09Å; A104-I162 CarbonylContact C-O 3.6Å; A104-I162 WeakPolarHBondContact CA-O 3.1Å; A104-F163 HydrophobicContact CB-CD1 3.74Å; A104-F163 HydrophobicContact CB-CE1 3.67Å; A104-F163 HydrophobicContact CB-CZ 4.39Å
105I95.4Very high88.9Confident0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-113122.6164.9-48.7-179000107.7P87 F88 F107 F124 L149 F152 S161 I162 F164P87-I105 HydrophobicContact CB-CG2 3.93Å; F88-I105 CarbonylContact O-C 3.45Å; F88-I105 VanDerWaalsContact O-CA 3.24Å; F88-I105 WeakPolarHBondContact O-CA 3.22Å; I105-F107 HydrophobicContact CB-CE2 4.25Å; I105-F107 HydrophobicContact CB-CZ 4.24Å; I105-F107 HydrophobicContact CG2-CE1 4.08Å; I105-F107 HydrophobicContact CG2-CE2 3.96Å; I105-F107 HydrophobicContact CG2-CZ 3.62Å; I105-F124 HydrophobicContact CD1-CE2 4.35Å; I105-L149 HydrophobicContact CD1-CD1 3.96Å; I105-L149 HydrophobicContact CD1-CD2 4.32Å; I105-F152 HydrophobicContact CD1-CD2 4.28Å; I105-F152 HydrophobicContact CD1-CE2 3.4Å; I105-F152 VanDerWaalsContact CD1-CE2 3.4Å; I105-F152 HydrophobicContact CD1-CZ 3.63Å; I105-S161 VanDerWaalsContact O-CA 3.31Å; I105-S161 WeakPolarHBondContact O-CA 3.32Å; I105-I162 HydrophobicContact CB-CB 4.24Å; I105-I162 PolarHBondContact N-O 3.1Å; I105-I162 PolarHBondContact O-N 3.01Å; I105-F164 HydrophobicContact CD1-CE1 4.26Å; I105-F164 HydrophobicContact CG1-CD1 4.46Å; I105-F164 HydrophobicContact CG1-CE1 3.79Å
106I94.4Very high88.8Confident0 Ų059.6 Ų59.60%030%0.303CS..EExtended strand (participates in β ladder)trans-111129-175.4-55.9-56000108.2F86 P87 F88 C90 A104 S108 D111 L112 V115 S161F86-I106 HydrophobicContact CE1-CG2 4Å; P87-I106 CarbonylContact C-O 3.54Å; P87-I106 VanDerWaalsContact CA-O 3.22Å; P87-I106 WeakPolarHBondContact CA-O 3.31Å; P87-I106 WeakPolarHBondContact CB-O 3.48Å; F88-I106 HydrophobicContact CB-CB 4.4Å; F88-I106 PolarHBondContact N-O 2.78Å; F88-I106 PolarHBondContact O-N 2.97Å; C90-I106 WeakPolarHBondContact SG-CG1 3.45Å; A104-I106 HydrophobicContact CB-CD1 4.09Å; I106-S108 WeakPolarHBondContact CG2-O 3.29Å; I106-D111 HydrophobicContact CG2-CB 3.57Å; I106-L112 HydrophobicContact CG2-CD2 4.07Å; I106-L112 HydrophobicContact CG2-CG 4.1Å; I106-V115 HydrophobicContact CD1-CG2 3.67Å; I106-V115 HydrophobicContact CG1-CG2 3.65Å; I106-S161 WeakPolarHBondContact CD1-OG 3.47Å
107F93.3Very high89Confident1 Ų155.4 Ų55.40%0.00429%0.287CS..  trans-105.5-13.9-173.3-64.9-83.2000113.6P87 I105 F152 P156 A157 R159 I162P87-F107 HydrophobicContact CB-CD1 3.78Å; P87-F107 HydrophobicContact CB-CE1 3.94Å; P87-F107 HydrophobicContact CG-CD1 4.33Å; P87-F107 HydrophobicContact CG-CE1 4.23Å; I105-F107 HydrophobicContact CB-CE2 4.25Å; I105-F107 HydrophobicContact CB-CZ 4.24Å; I105-F107 HydrophobicContact CG2-CE1 4.08Å; I105-F107 HydrophobicContact CG2-CE2 3.96Å; I105-F107 HydrophobicContact CG2-CZ 3.62Å; F107-F152 HydrophobicContact CE1-CB 3.95Å; F107-F152 AromaticContact CE1-CD1 3.66Å; F107-F152 HydrophobicContact CE1-CD1 3.66Å; F107-F152 HydrophobicContact CE1-CE1 4.37Å; F107-F152 AromaticContact CE1-CG 3.85Å; F107-F152 HydrophobicContact CE1-CG 3.85Å; F107-F152 AromaticContact CZ-CD1 3.62Å; F107-F152 HydrophobicContact CZ-CD1 3.62Å; F107-F152 AromaticContact CZ-CE1 3.86Å; F107-F152 HydrophobicContact CZ-CE1 3.86Å; F107-F152 HydrophobicContact CZ-CG 4.11Å; F107-P156 CarbonylContact O-C 3.54Å; F107-P156 WeakPolarHBondContact O-CA 3.4Å; F107-A157 HydrophobicContact CB-CB 4.29Å; F107-A157 WeakPolarHBondContact CB-O 3.16Å; F107-A157 HydrophobicContact CD1-CB 4.46Å; F107-A157 PolarHBondContact O-N 2.93Å; F107-R159 HydrophobicContact CD2-CB 4.29Å; F107-R159 HydrophobicContact CD2-CG 4.2Å; F107-R159 HydrophobicContact CE2-CG 4.34Å; F107-R159 HydrophobicContact CG-CB 4.29Å; F107-I162 HydrophobicContact CE2-CD1 3.8Å; F107-I162 HydrophobicContact CE2-CG1 3.94Å; F107-I162 HydrophobicContact CZ-CD1 3.75Å; F107-I162 HydrophobicContact CZ-CG1 4.4Å
108S91.9Very high89.4Confident21 Ų2157.5 Ų57.515%0.14730%0.295CS..SBendtrans-148.4166.8-17874.40000112.6F86 I106 E110 D111F86-S108 VanDerWaalsContact CE1-O 3.24Å; F86-S108 WeakPolarHBondContact CE1-O 3.38Å; F86-S108 WeakPolarHBondContact CZ-O 3.26Å; I106-S108 WeakPolarHBondContact CG2-O 3.29Å; S108-E110 PolarHBondContact O-N 3.39Å; S108-E110 PolarHBondContact OG-N 3.09Å; S108-D111 PolarHBondContact N-OD2 3.35Å; S108-D111 PolarHBondContact O-N 3.21Å; S108-D111 PolarHBondContact OG-N 3.25Å; S108-D111 PolarHBondContact OG-OD2 2.93Å
109E91.6Very high90.2Very high81 Ų8151.3 Ų51.338%0.37926%0.257SS..SBendtrans-61.8-34.2175.3-64.6-174.4-178.100111.7L76 K80 F86 D111 L112L76-E109 HydrophobicContact CD2-CB 4.1Å; L76-E109 HydrophobicContact CD2-CG 4.03Å; K80-E109 WeakPolarHBondContact CE-OE1 3.39Å; K80-E109 IonicContact NZ-OE1 2.79Å; K80-E109 PolarHBondContact NZ-OE1 3.08Å; K80-E109 IonicContact NZ-OE2 3.84Å; F86-E109 HydrophobicContact CE2-CG 3.67Å; F86-E109 HydrophobicContact CZ-CB 4.38Å; F86-E109 HydrophobicContact CZ-CG 3.86Å; F86-E109 VanDerWaalsContact CZ-N 3.31Å; E109-D111 VanDerWaalsContact C-N 3.28Å; E109-D111 PolarHBondContact O-N 3.38Å; E109-L112 WeakPolarHBondContact O-CB 3.48Å; E109-L112 PolarHBondContact O-N 3.42Å
110E88.4Confident90.9Very high148 Ų14846 Ų4669%0.69223%0.228SC*.G310 helixtrans-67.9-29.1-179.1-61-174.5-170.400113.1S108 L112 K113S108-E110 PolarHBondContact O-N 3.39Å; S108-E110 PolarHBondContact OG-N 3.09Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-K113 WeakPolarHBondContact O-CD 3.38Å; E110-K113 WeakPolarHBondContact O-CE 3.46Å; E110-K113 VanDerWaalsContact O-CG 3.25Å; E110-K113 WeakPolarHBondContact O-CG 3.23Å
111D87.7Confident91.4Very high23 Ų2345.8 Ų45.812%0.12323%0.227CC..G310 helixtrans-78.5-14.3-178.7-68.6-41.3000112.5I106 S108 E109 K113 D114 S161I106-D111 HydrophobicContact CG2-CB 3.57Å; S108-D111 PolarHBondContact N-OD2 3.35Å; S108-D111 PolarHBondContact O-N 3.21Å; S108-D111 PolarHBondContact OG-N 3.25Å; S108-D111 PolarHBondContact OG-OD2 2.93Å; E109-D111 VanDerWaalsContact C-N 3.28Å; E109-D111 PolarHBondContact O-N 3.38Å; D111-K113 PolarHBondContact O-N 3.17Å; D111-K113 VanDerWaalsContact O-N 3.16Å; D111-D114 WeakPolarHBondContact O-CB 3.49Å; D111-D114 PolarHBondContact O-N 3.31Å; D111-S161 WeakPolarHBondContact CB-OG 3.49Å
112L88.3Confident91.8Very high4 Ų444.8 Ų44.82%0.02122%0.222CC..G310 helixtrans-62.8-21.7178.3-77.1168.4000113.1C71 L76 I79 F86 F88 I106 E109 E110 D114 V115C71-L112 HydrophobicContact CB-CB 4.01Å; L76-L112 HydrophobicContact CD2-CD1 3.56Å; I79-L112 HydrophobicContact CD1-CD1 4.01Å; F86-L112 HydrophobicContact CZ-CD1 4.21Å; F88-L112 HydrophobicContact CD2-CD2 4Å; F88-L112 HydrophobicContact CE2-CD1 4.39Å; F88-L112 HydrophobicContact CE2-CD2 4.3Å; I106-L112 HydrophobicContact CG2-CD2 4.07Å; I106-L112 HydrophobicContact CG2-CG 4.1Å; E109-L112 WeakPolarHBondContact O-CB 3.48Å; E109-L112 PolarHBondContact O-N 3.42Å; E110-L112 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 3.27Å; L112-V115 HydrophobicContact CD2-CG2 4.48Å; L112-V115 WeakPolarHBondContact O-CB 3.46Å; L112-V115 PolarHBondContact O-N 3.36Å
113K87.3Confident92Very high154 Ų15440.8 Ų40.867%0.6721%0.205SC*.G310 helixtrans-64.2-22.3173.773.3-165.7170.8-162.10113.3E110 D111 V115E110-K113 WeakPolarHBondContact O-CD 3.38Å; E110-K113 WeakPolarHBondContact O-CE 3.46Å; E110-K113 VanDerWaalsContact O-CG 3.25Å; E110-K113 WeakPolarHBondContact O-CG 3.23Å; D111-K113 PolarHBondContact O-N 3.17Å; D111-K113 VanDerWaalsContact O-N 3.16Å; K113-V115 VanDerWaalsContact C-N 3.28Å
114D85.4Confident92.1Very high66 Ų6641 Ų4135%0.35321%0.205SC..G310 helixtrans-83.3-10.5-178.9-55.4-30.7000112.1D111 L112 S161 F163D111-D114 WeakPolarHBondContact O-CB 3.49Å; D111-D114 PolarHBondContact O-N 3.31Å; L112-D114 PolarHBondContact O-N 3.27Å; D114-S161 PolarHBondContact OD2-OG 3.01Å; D114-F163 HydrophobicContact CB-CE2 4.5Å; D114-F163 HydrophobicContact CB-CZ 3.76Å
115V87.3Confident92.2Very high17 Ų1741.9 Ų41.910%0.10321%0.209CC..SBendtrans-79.4142.1178.2-174.60000109.5C90 I106 L112 K113 P117 C119C90-V115 HydrophobicContact CB-CG1 4.07Å; C90-V115 HydrophobicContact CB-CG2 4.37Å; C90-V115 VanDerWaalsContact SG-CG2 3.57Å; I106-V115 HydrophobicContact CD1-CG2 3.67Å; I106-V115 HydrophobicContact CG1-CG2 3.65Å; L112-V115 HydrophobicContact CD2-CG2 4.48Å; L112-V115 WeakPolarHBondContact O-CB 3.46Å; L112-V115 PolarHBondContact O-N 3.36Å; K113-V115 VanDerWaalsContact C-N 3.28Å; V115-P117 VanDerWaalsContact O-CD 3.3Å; V115-P117 WeakPolarHBondContact O-CD 3.5Å; V115-C119 HydrophobicContact CG1-CB 4.31Å; V115-C119 WeakPolarHBondContact CG1-SG 3.4Å
116K88.1Confident92.2Very high183 Ų18343.1 Ų43.180%0.79622%0.215SC*.  trans-107104.4179.3-65.1-178.5-178.1176.60111.3
117P91.1Very high92.1Very high41 Ų4143.5 Ų43.527%0.26622%0.217SC..SBendtrans-64.9153170.3-19.131.9000112.2T69 V115T69-P117 WeakPolarHBondContact O-CG 3.29Å; V115-P117 VanDerWaalsContact O-CD 3.3Å; V115-P117 WeakPolarHBondContact O-CD 3.5Å
118P92.6Very high92.2Very high79 Ų7946.5 Ų46.551%0.51323%0.233SC..SBendcis-77.3129.2-1.930.8-34000112.4L67L67-P118 VanDerWaalsContact O-CA 3.27Å; L67-P118 WeakPolarHBondContact O-CA 3.28Å
119C94.6Very high92.2Very high5 Ų545.9 Ų45.93%0.03423%0.229CC..EExtended strand (participates in β ladder)trans-143.5167.9-179.673.60000111.6V66 L67 K91 V115V66-C119 WeakPolarHBondContact CA-O 3.38Å; L67-C119 PolarHBondContact N-O 3.2Å; L67-C119 PolarHBondContact O-N 3.24Å; K91-C119 CarbonylContact O-C 3.56Å; K91-C119 WeakPolarHBondContact O-CA 3.34Å; K91-C119 VanDerWaalsContact O-CB 3.32Å; K91-C119 WeakPolarHBondContact O-CB 3.41Å; V115-C119 HydrophobicContact CG1-CB 4.31Å; V115-C119 WeakPolarHBondContact CG1-SG 3.4Å
120V96.2Very high92.1Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-108.3127.2171.1-177.10000107.9R38 Y42 F64 M65 V66 C90 K91R38-V120 HydrophobicContact CB-CG2 3.98Å; Y42-V120 HydrophobicContact CD2-CG1 3.86Å; Y42-V120 HydrophobicContact CE2-CB 4.5Å; Y42-V120 HydrophobicContact CE2-CG1 3.66Å; F64-V120 HydrophobicContact CB-CG1 4.26Å; F64-V120 HydrophobicContact CD2-CG1 3.92Å; M65-V120 WeakPolarHBondContact O-CA 3.4Å; V66-V120 HydrophobicContact CG2-CG2 4.35Å; C90-V120 CarbonylContact C-O 3.58Å; C90-V120 WeakPolarHBondContact CA-O 3.27Å; K91-V120 PolarHBondContact N-O 3.46Å; K91-V120 PolarHBondContact O-N 2.93Å
121I96.6Very high92.3Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-101139.8167.960.7170.5000108.7F64 M65 L67 I79 L84F64-I121 CarbonylContact C-O 3.39Å; F64-I121 WeakPolarHBondContact CA-O 3.25Å; F64-I121 WeakPolarHBondContact CB-O 3.43Å; M65-I121 HydrophobicContact CB-CD1 4.23Å; M65-I121 HydrophobicContact CB-CG1 3.91Å; M65-I121 PolarHBondContact N-O 2.94Å; M65-I121 WeakPolarHBondContact O-CG1 3.29Å; M65-I121 PolarHBondContact O-N 3.48Å; L67-I121 HydrophobicContact CD1-CD1 4.15Å; L67-I121 HydrophobicContact CD1-CG1 4.47Å; L67-I121 HydrophobicContact CD1-CG2 3.56Å; L67-I121 HydrophobicContact CD2-CD1 3.96Å; L67-I121 HydrophobicContact CD2-CG1 4.43Å; L67-I121 HydrophobicContact CG-CD1 4.08Å; L67-I121 HydrophobicContact CG-CG1 4.17Å; L67-I121 HydrophobicContact CG-CG2 3.96Å; I79-I121 HydrophobicContact CD1-CD1 3.69Å; I79-I121 HydrophobicContact CG1-CD1 3.79Å; L84-I121 HydrophobicContact CD2-CB 4.44Å; L84-I121 HydrophobicContact CD2-CD1 3.74Å; L84-I121 HydrophobicContact CD2-CG1 3.69Å
122Q97.1Very high92.5Very high2 Ų239.2 Ų39.21%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-141.8138.8-179.3-179.3174.256.700108.9P62 P63 F64 F88 I89 F124P62-Q122 HydrophobicContact CB-CG 3.72Å; P62-Q122 HydrophobicContact CG-CG 4.37Å; P63-Q122 WeakPolarHBondContact O-CA 3.23Å; F64-Q122 HydrophobicContact CB-CB 4.04Å; F64-Q122 HydrophobicContact CB-CG 4.14Å; F88-Q122 CarbonylContact C-O 3.52Å; F88-Q122 WeakPolarHBondContact CA-O 3.43Å; I89-Q122 HydrophobicContact CG2-CB 3.96Å; I89-Q122 PolarHBondContact N-O 2.9Å; I89-Q122 PolarHBondContact O-N 3.32Å; Q122-F124 PolarHBondContact O-N 3.33Å
123S96.4Very high92.7Very high7 Ų740.9 Ų40.95%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-58.1129.3174.8-60.70000110.1P63 L84 T85P63-S123 PolarHBondContact O-N 3.02Å; L84-S123 WeakPolarHBondContact CA-OG 3.48Å; T85-S123 PolarHBondContact N-OG 3.49Å
124F96.3Very high93Very high24 Ų2433.6 Ų33.611%0.10517%0.174CC..  trans-75.7132.3176.7-174.7-88.5000109.9P87 I89 I105 Q122 N126 L149 F152P87-F124 HydrophobicContact CB-CB 4.34Å; P87-F124 HydrophobicContact CG-CB 3.93Å; P87-F124 HydrophobicContact CG-CD1 4.21Å; P87-F124 HydrophobicContact CG-CG 4.28Å; P87-F124 WeakPolarHBondContact O-CA 3.2Å; P87-F124 WeakPolarHBondContact O-CB 3.4Å; P87-F124 PolarHBondContact O-N 3.42Å; I89-F124 HydrophobicContact CB-CD2 4.4Å; I105-F124 HydrophobicContact CD1-CE2 4.35Å; Q122-F124 PolarHBondContact O-N 3.33Å; F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; F124-L149 HydrophobicContact CE2-CB 3.95Å; F124-L149 HydrophobicContact CE2-CD1 3.76Å; F124-L149 HydrophobicContact CZ-CB 3.95Å; F124-F152 HydrophobicContact CD1-CD2 4.18Å; F124-F152 AromaticContact CE1-CD2 3.61Å; F124-F152 HydrophobicContact CE1-CD2 3.61Å; F124-F152 HydrophobicContact CE1-CE2 4.29Å; F124-F152 HydrophobicContact CE2-CD2 4.23Å; F124-F152 HydrophobicContact CE2-CE2 4.21Å; F124-F152 AromaticContact CZ-CD2 3.64Å; F124-F152 HydrophobicContact CZ-CD2 3.64Å; F124-F152 AromaticContact CZ-CE2 3.83Å; F124-F152 HydrophobicContact CZ-CE2 3.83Å
125I95.4Very high93.3Very high23 Ų2330.7 Ų30.712%0.11816%0.158CC..  trans-109125.3176.7-63.3-178.1000108.2P62 H127 I220 N222 A229P62-I125 HydrophobicContact CB-CD1 3.88Å; P62-I125 HydrophobicContact CB-CG1 4.42Å; P62-I125 HydrophobicContact CG-CD1 3.66Å; P62-I125 HydrophobicContact CG-CG1 4.49Å; I125-H127 PolarHBondContact O-N 3Å; I125-H127 PolarHBondContact O-ND1 2.87Å; I125-I220 HydrophobicContact CB-CD1 3.85Å; I125-I220 HydrophobicContact CG2-CD1 4.18Å; I125-N222 HydrophobicContact CG2-CB 3.6Å; I125-A229 HydrophobicContact CD1-CB 3.7Å
126N95.4Very high93.6Very high26 Ų2630 Ų3014%0.13915%0.154CC..  trans-67.7128.1170.2-78.3-29.4000110.3F124 N151 F152 N223F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; N126-N151 HydrophobicContact CB-CB 4.27Å; N126-N151 WeakPolarHBondContact CB-OD1 2.96Å; N126-N151 WeakPolarHBondContact OD1-CA 3.45Å; N126-N151 WeakPolarHBondContact OD1-CB 3.46Å; N126-F152 PolarHBondContact ND2-O 3.25Å; N126-F152 PolarHBondContact OD1-N 3Å; N126-F152 PolarHBondContact OD1-O 2.97Å; N126-N223 WeakPolarHBondContact CB-OD1 3.36Å; N126-N223 PolarHBondContact O-N 2.86Å; N126-N223 PolarHBondContact O-OD1 2.75Å
127H94.3Very high93.8Very high9 Ų921.3 Ų21.34%0.04212%0.116CC..  trans-145.325-170.659.2-84.1000113I125 A129 V130 S148 L149 N151 I220 E221I125-H127 PolarHBondContact O-N 3Å; I125-H127 PolarHBondContact O-ND1 2.87Å; H127-A129 PolarHBondContact O-N 3.45Å; H127-A129 VanDerWaalsContact O-N 3.12Å; H127-V130 PolarHBondContact CD2-O 2.72Å; H127-V130 VanDerWaalsContact CD2-O 3.29Å; H127-V130 PolarHBondContact O-N 3.03Å; H127-S148 WeakPolarHBondContact NE2-CB 3.33Å; H127-S148 PolarHBondContact NE2-OG 3.25Å; H127-L149 PolarHBondContact CE1-O 3.45Å; H127-L149 PolarHBondContact NE2-O 3.33Å; H127-N151 PolarHBondContact N-OD1 3.15Å; H127-N151 VanDerWaalsContact N-OD1 3.15Å; H127-I220 HydrophobicContact CB-CB 3.72Å; H127-I220 HydrophobicContact CB-CD1 4.14Å; H127-I220 HydrophobicContact CB-CG1 4.3Å; H127-I220 HydrophobicContact CB-CG2 4.36Å; H127-E221 VanDerWaalsContact CA-O 3.23Å; H127-E221 WeakPolarHBondContact CA-O 3.23Å; H127-E221 WeakPolarHBondContact CB-O 3.45Å
128N93.6Very high93.8Very high64 Ų6419.4 Ų19.434%0.34210%0.104SC..THydrogen-bonded Turntrans56.731.5173-54.8-33.1000114.4V130 N151 N223N128-V130 PolarHBondContact O-N 3.29Å; N128-N151 PolarHBondContact N-OD1 2.96Å; N128-N151 PolarHBondContact OD1-ND2 3.38Å; N128-N223 WeakPolarHBondContact ND2-CB 3.44Å; N128-N223 PolarHBondContact OD1-ND2 2.78Å
129A92.8Very high93.5Very high8 Ų820.9 Ų20.97%0.06611%0.108CC..THydrogen-bonded Turntrans6220.7177.600000115.8H127 S148 L149 V181H127-A129 PolarHBondContact O-N 3.45Å; H127-A129 VanDerWaalsContact O-N 3.12Å; A129-S148 WeakPolarHBondContact CB-O 3.3Å; A129-S148 WeakPolarHBondContact O-CB 3.5Å; A129-S148 PolarHBondContact O-N 2.6Å; A129-L149 WeakPolarHBondContact CA-O 3.07Å; A129-V181 HydrophobicContact CB-CG2 3.75Å
130V90.3Very high93.3Very high44 Ų4422.6 Ų22.627%0.26712%0.12SC..EExtended strand (participates in β ladder)trans-113124.2177-176.30000111H127 N128 Y132 E145H127-V130 PolarHBondContact CD2-O 2.72Å; H127-V130 VanDerWaalsContact CD2-O 3.29Å; H127-V130 PolarHBondContact O-N 3.03Å; N128-V130 PolarHBondContact O-N 3.29Å; V130-Y132 HydrophobicContact CG1-CD2 4.49Å; V130-Y132 HydrophobicContact CG1-CE1 4.14Å; V130-Y132 HydrophobicContact CG1-CE2 3.92Å; V130-E145 HydrophobicContact CG1-CG 4.43Å
131L92.1Very high93Very high7 Ų725.1 Ų25.14%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-107.9130.1172.4172.568.8000109.7K133 E145 R146 I220 I231L131-K133 HydrophobicContact CD2-CG 4.14Å; L131-K133 HydrophobicContact CG-CG 4.31Å; L131-E145 CarbonylContact O-C 3.46Å; L131-E145 WeakPolarHBondContact O-CA 3.36Å; L131-R146 HydrophobicContact CB-CB 4.25Å; L131-R146 HydrophobicContact CD2-CB 4.32Å; L131-R146 PolarHBondContact N-O 3.26Å; L131-R146 PolarHBondContact O-N 2.87Å; L131-I220 HydrophobicContact CD1-CG2 3.81Å; L131-I231 HydrophobicContact CD1-CD1 4.18Å
132Y92.4Very high92.7Very high60 Ų6027 Ų2724%0.23514%0.141CC..EExtended strand (participates in β ladder)trans-98.5112.6171.5-59.8-81.8000109.4V130 V143 E145 V219V130-Y132 HydrophobicContact CG1-CD2 4.49Å; V130-Y132 HydrophobicContact CG1-CE1 4.14Å; V130-Y132 HydrophobicContact CG1-CE2 3.92Å; Y132-V143 HydrophobicContact CD1-CG1 4.08Å; Y132-E145 HydrophobicContact CD1-CG 3.75Å; Y132-E145 HydrophobicContact CE1-CG 3.59Å; Y132-E145 WeakPolarHBondContact CE1-OE1 3.33Å; Y132-V219 WeakPolarHBondContact CB-O 3.47Å; Y132-V219 PolarHBondContact N-O 2.93Å; Y132-V219 PolarHBondContact O-N 3.21Å
133K91.8Very high92.4Very high39 Ų3929.9 Ų29.917%0.1716%0.158CC..EExtended strand (participates in β ladder)trans-89.9111.6171.3-70-160174.5-172.70109.7L131 F135 V143 V144 R146L131-K133 HydrophobicContact CD2-CG 4.14Å; L131-K133 HydrophobicContact CG-CG 4.31Å; K133-F135 HydrophobicContact CB-CD2 4.23Å; K133-F135 HydrophobicContact CB-CE2 3.72Å; K133-F135 HydrophobicContact CB-CZ 4Å; K133-F135 HydrophobicContact CD-CE2 4.35Å; K133-F135 HydrophobicContact CD-CZ 3.85Å; K133-F135 PolarHBondContact O-N 3.3Å; K133-V143 CarbonylContact O-C 3.48Å; K133-V143 VanDerWaalsContact O-CA 3.31Å; K133-V143 WeakPolarHBondContact O-CA 3.44Å; K133-V144 PolarHBondContact N-O 3.15Å; K133-V144 PolarHBondContact O-N 3.12Å; K133-R146 HydrophobicContact CD-CG 3.86Å; K133-R146 HydrophobicContact CG-CG 3.87Å
134V92.7Very high92Very high2 Ų230.7 Ų30.71%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-94.196.1175.2-171.90000107.1Y141 V143 N199 C216 F217 V219V134-Y141 HydrophobicContact CG1-CD2 3.9Å; V134-Y141 HydrophobicContact CG1-CG 4.36Å; V134-V143 HydrophobicContact CG1-CG2 4.43Å; V134-V143 HydrophobicContact CG2-CG2 4.23Å; V134-N199 HydrophobicContact CG1-CB 4.06Å; V134-C216 CarbonylContact O-C 3.47Å; V134-C216 WeakPolarHBondContact O-CA 3.22Å; V134-F217 HydrophobicContact CB-CB 4.2Å; V134-F217 PolarHBondContact N-O 2.95Å; V134-F217 PolarHBondContact O-N 3.38Å; V134-V219 HydrophobicContact CG2-CG2 3.9Å
135F92.8Very high91.8Very high4 Ų435.3 Ų35.32%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-80.8124.4176.4-68.2-75000109.9K133 Y141 T142 V144 C216 P237 Y239 V242K133-F135 HydrophobicContact CB-CD2 4.23Å; K133-F135 HydrophobicContact CB-CE2 3.72Å; K133-F135 HydrophobicContact CB-CZ 4Å; K133-F135 HydrophobicContact CD-CE2 4.35Å; K133-F135 HydrophobicContact CD-CZ 3.85Å; K133-F135 PolarHBondContact O-N 3.3Å; F135-Y141 CarbonylContact O-C 3.57Å; F135-Y141 WeakPolarHBondContact O-CA 3.22Å; F135-Y141 WeakPolarHBondContact O-CB 3.17Å; F135-T142 PolarHBondContact N-O 2.91Å; F135-T142 PolarHBondContact O-N 2.94Å; F135-V144 HydrophobicContact CD2-CB 4.28Å; F135-V144 HydrophobicContact CD2-CG2 3.81Å; F135-V144 HydrophobicContact CE2-CB 3.87Å; F135-V144 HydrophobicContact CE2-CG2 3.74Å; F135-C216 HydrophobicContact CD1-CB 3.72Å; F135-C216 HydrophobicContact CE1-CB 4.03Å; F135-C216 HydrophobicContact CG-CB 4.49Å; F135-P237 HydrophobicContact CD1-CB 4.21Å; F135-P237 HydrophobicContact CD1-CG 3.64Å; F135-P237 HydrophobicContact CE1-CB 3.93Å; F135-P237 HydrophobicContact CE1-CG 3.88Å; F135-Y239 HydrophobicContact CB-CD1 3.78Å; F135-Y239 HydrophobicContact CB-CE1 3.94Å; F135-Y239 AromaticContact CD1-CD1 3.78Å; F135-Y239 HydrophobicContact CD1-CD1 3.78Å; F135-Y239 HydrophobicContact CD1-CE1 4.17Å; F135-Y239 HydrophobicContact CD1-CG 4.31Å; F135-Y239 HydrophobicContact CG-CD1 4.04Å; F135-Y239 HydrophobicContact CG-CE1 4.5Å; F135-V242 HydrophobicContact CB-CG2 3.77Å; F135-V242 HydrophobicContact CD2-CG2 3.41Å; F135-V242 VanDerWaalsContact CD2-CG2 3.41Å; F135-V242 HydrophobicContact CE2-CG2 4.1Å; F135-V242 HydrophobicContact CG-CG2 3.68Å
136V92.8Very high91.4Very high2 Ų234.8 Ų34.81%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-109.1135.6-178.2-172.90000109.6G138 N203 D215 F217 Y239V136-G138 WeakPolarHBondContact CG1-O 3.3Å; V136-N203 HydrophobicContact CG1-CB 4.44Å; V136-N203 WeakPolarHBondContact CG2-OD1 3.47Å; V136-D215 WeakPolarHBondContact CB-OD1 3.26Å; V136-D215 WeakPolarHBondContact CG2-OD1 3.44Å; V136-D215 PolarHBondContact N-O 3.41Å; V136-D215 PolarHBondContact O-N 2.65Å; V136-F217 HydrophobicContact CG2-CD2 4.06Å; V136-F217 HydrophobicContact CG2-CE2 4.07Å; V136-Y239 WeakPolarHBondContact O-CE1 3.33Å; V136-Y239 PolarHBondContact O-OH 3.32Å
137V93.8Very high91.1Very high2 Ų235.4 Ų35.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-137.591.7174.6-174.90000107.9D139 S140 Y213 L214 Y239 F245 D248 L249V137-D139 PolarHBondContact O-N 2.95Å; V137-S140 PolarHBondContact N-O 3.37Å; V137-S140 PolarHBondContact O-N 3Å; V137-S140 VanDerWaalsContact O-N 3.08Å; V137-Y213 WeakPolarHBondContact CA-O 3.31Å; V137-L214 HydrophobicContact CB-CD2 4.38Å; V137-L214 HydrophobicContact CG1-CD2 3.84Å; V137-Y239 HydrophobicContact CG2-CD1 4.01Å; V137-Y239 HydrophobicContact CG2-CE1 3.42Å; V137-Y239 VanDerWaalsContact CG2-CE1 3.42Å; V137-F245 HydrophobicContact CG2-CD2 3.81Å; V137-F245 HydrophobicContact CG2-CE2 4.08Å; V137-D248 HydrophobicContact CB-CB 3.82Å; V137-D248 HydrophobicContact CG1-CB 3.7Å; V137-D248 HydrophobicContact CG2-CB 4.39Å; V137-L249 HydrophobicContact CG1-CB 4.05Å; V137-L249 HydrophobicContact CG1-CD1 4.49Å
138G90.3Very high91.1Very high0 Ų035.3 Ų35.30%019%0.187CC..THydrogen-bonded Turntrans57.6-124.6-171.800000110.8V136 S140 R207 Y213 H252V136-G138 WeakPolarHBondContact CG1-O 3.3Å; G138-S140 VanDerWaalsContact C-N 3.31Å; G138-R207 VanDerWaalsContact CA-NH2 3.34Å; G138-R207 PolarHBondContact O-NE 2.73Å; G138-R207 PolarHBondContact O-NH1 2.83Å; G138-R207 VanDerWaalsContact O-NH1 3.13Å; G138-R207 PolarHBondContact O-NH2 2.78Å; G138-Y213 PolarHBondContact N-O 3.31Å; G138-H252 VanDerWaalsContact CA-ND1 3.32Å; G138-H252 WeakPolarHBondContact CA-ND1 3.26Å
139D86.5Confident91.1Very high111 Ų11132.7 Ų32.759%0.59417%0.173SC*.THydrogen-bonded Turntrans-81.9-11.1-178-59.8-44.7000113.6V137 R207V137-D139 PolarHBondContact O-N 2.95Å; D139-R207 IonicContact OD1-CZ 3.62Å; D139-R207 IonicContact OD1-NH1 2.75Å; D139-R207 PolarHBondContact OD1-NH1 2.92Å; D139-R207 IonicContact OD1-NH2 2.94Å; D139-R207 PolarHBondContact OD1-NH2 3.18Å
140S89.5Confident91.1Very high41 Ų4135 Ų3529%0.28718%0.182SC..EExtended strand (participates in β ladder)trans-90.2152.7175.3-68.50000111.3V137 G138 D248V137-S140 PolarHBondContact N-O 3.37Å; V137-S140 PolarHBondContact O-N 3Å; V137-S140 VanDerWaalsContact O-N 3.08Å; G138-S140 VanDerWaalsContact C-N 3.31Å; S140-D248 VanDerWaalsContact CB-CG 3.41Å; S140-D248 VanDerWaalsContact CB-OD1 3.23Å; S140-D248 WeakPolarHBondContact CB-OD1 3.32Å; S140-D248 PolarHBondContact OG-OD1 2.98Å
141Y90.7Very high91.2Very high53 Ų5335.7 Ų35.721%0.20818%0.184CC..EExtended strand (participates in β ladder)trans-147.1154.3167.372.2-82.2000111.5V134 F135 V143 K196 N199 I200 N203V134-Y141 HydrophobicContact CG1-CD2 3.9Å; V134-Y141 HydrophobicContact CG1-CG 4.36Å; F135-Y141 CarbonylContact O-C 3.57Å; F135-Y141 WeakPolarHBondContact O-CA 3.22Å; F135-Y141 WeakPolarHBondContact O-CB 3.17Å; Y141-V143 HydrophobicContact CD2-CG2 4.04Å; Y141-V143 HydrophobicContact CE2-CG2 3.94Å; Y141-K196 VanDerWaalsContact OH-CA 3.26Å; Y141-K196 WeakPolarHBondContact OH-CA 3.38Å; Y141-K196 PolarHBondContact OH-O 3.49Å; Y141-N199 HydrophobicContact CD2-CB 3.98Å; Y141-N199 HydrophobicContact CE1-CB 4.5Å; Y141-N199 HydrophobicContact CE2-CB 3.63Å; Y141-I200 HydrophobicContact CD1-CG1 4.27Å; Y141-I200 HydrophobicContact CE1-CD1 4.14Å; Y141-I200 HydrophobicContact CE1-CG1 3.38Å; Y141-N203 WeakPolarHBondContact CB-ND2 3.18Å
142T89.6Confident91.2Very high38 Ų3835.7 Ų35.723%0.23318%0.184CC..EExtended strand (participates in β ladder)trans-131.5134.1174.3-66.40000109.8F135 V144 V242F135-T142 PolarHBondContact N-O 2.91Å; F135-T142 PolarHBondContact O-N 2.94Å; T142-V144 HydrophobicContact CG2-CG2 4.16Å; T142-V242 HydrophobicContact CG2-CG1 4.26Å; T142-V242 HydrophobicContact CG2-CG2 4.05Å
143V90.8Very high91Very high63 Ų6337 Ų3738%0.38220%0.199SC..EExtended strand (participates in β ladder)trans-99.4127.7176.6-172.90000109.5Y132 K133 V134 Y141 N199Y132-V143 HydrophobicContact CD1-CG1 4.08Å; K133-V143 CarbonylContact O-C 3.48Å; K133-V143 VanDerWaalsContact O-CA 3.31Å; K133-V143 WeakPolarHBondContact O-CA 3.44Å; V134-V143 HydrophobicContact CG1-CG2 4.43Å; V134-V143 HydrophobicContact CG2-CG2 4.23Å; Y141-V143 HydrophobicContact CD2-CG2 4.04Å; Y141-V143 HydrophobicContact CE2-CG2 3.94Å; V143-N199 WeakPolarHBondContact CG2-ND2 3.36Å
144V89.3Confident90.7Very high24 Ų2438.8 Ų38.815%0.14522%0.221CC..EExtended strand (participates in β ladder)trans-124.9125.2177.3-178.60000109K133 F135 T142 V242K133-V144 PolarHBondContact N-O 3.15Å; K133-V144 PolarHBondContact O-N 3.12Å; F135-V144 HydrophobicContact CD2-CB 4.28Å; F135-V144 HydrophobicContact CD2-CG2 3.81Å; F135-V144 HydrophobicContact CE2-CB 3.87Å; F135-V144 HydrophobicContact CE2-CG2 3.74Å; T142-V144 HydrophobicContact CG2-CG2 4.16Å; V144-V242 HydrophobicContact CG2-CG2 4.3Å
145E91.1Very high90.4Very high121 Ų12139.8 Ų39.857%0.56523%0.232SC*.EExtended strand (participates in β ladder)trans-73.8141.3173-68.1-176.5-169.500110.9V130 L131 Y132V130-E145 HydrophobicContact CG1-CG 4.43Å; L131-E145 CarbonylContact O-C 3.46Å; L131-E145 WeakPolarHBondContact O-CA 3.36Å; Y132-E145 HydrophobicContact CD1-CG 3.75Å; Y132-E145 HydrophobicContact CE1-CG 3.59Å; Y132-E145 WeakPolarHBondContact CE1-OE1 3.33Å
146R88.3Confident90.1Very high13 Ų1344.4 Ų44.45%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-135.9151.2177.4-61.2-63.3-176.1107.9-7.8110.1L131 K133 P172 E240L131-R146 HydrophobicContact CB-CB 4.25Å; L131-R146 HydrophobicContact CD2-CB 4.32Å; L131-R146 PolarHBondContact N-O 3.26Å; L131-R146 PolarHBondContact O-N 2.87Å; K133-R146 HydrophobicContact CD-CG 3.86Å; K133-R146 HydrophobicContact CG-CG 3.87Å; R146-P172 VanDerWaalsContact NH1-CD 3.31Å; R146-E240 IonicContact CZ-OE2 3.37Å; R146-E240 IonicContact NH1-OE2 2.95Å; R146-E240 PolarHBondContact NH1-OE2 2.9Å; R146-E240 PolarHBondContact NH2-O 3.19Å; R146-E240 IonicContact NH2-OE2 2.95Å; R146-E240 PolarHBondContact NH2-OE2 3.24Å
147P89.1Confident89.7Confident39 Ų3945.5 Ų45.525%0.25327%0.272SS..EExtended strand (participates in β ladder)trans-55.5145.5165.4-22.733.5000111.4S170 T179P147-S170 VanDerWaalsContact O-CA 3.28Å; P147-S170 WeakPolarHBondContact O-CA 3.36Å; P147-S170 WeakPolarHBondContact O-CB 3.41Å; P147-S170 PolarHBondContact O-OG 2.93Å; P147-T179 HydrophobicContact CB-CG2 4.2Å
148S93.4Very high89.2Confident6 Ų655.5 Ų55.54%0.04232%0.319CS..  trans-142.7177.8179.1-159.60000111.5H127 A129 K150 T179H127-S148 WeakPolarHBondContact NE2-CB 3.33Å; H127-S148 PolarHBondContact NE2-OG 3.25Å; A129-S148 WeakPolarHBondContact CB-O 3.3Å; A129-S148 WeakPolarHBondContact O-CB 3.5Å; A129-S148 PolarHBondContact O-N 2.6Å; S148-K150 PolarHBondContact O-N 3.45Å; S148-T179 WeakPolarHBondContact O-CA 3.22Å
149L93.4Very high88.9Confident10 Ų1060.9 Ų60.95%0.05234%0.339CS..PPolyproline II helixtrans-63.8132.9179.1-65.8168.3000110.9I89 I105 F124 H127 A129 F164 V169 L178I89-L149 HydrophobicContact CD1-CD1 4.02Å; I105-L149 HydrophobicContact CD1-CD1 3.96Å; I105-L149 HydrophobicContact CD1-CD2 4.32Å; F124-L149 HydrophobicContact CE2-CB 3.95Å; F124-L149 HydrophobicContact CE2-CD1 3.76Å; F124-L149 HydrophobicContact CZ-CB 3.95Å; H127-L149 PolarHBondContact CE1-O 3.45Å; H127-L149 PolarHBondContact NE2-O 3.33Å; A129-L149 WeakPolarHBondContact CA-O 3.07Å; L149-F164 HydrophobicContact CD1-CE1 4.31Å; L149-F164 HydrophobicContact CD1-CE2 4.29Å; L149-F164 HydrophobicContact CD1-CZ 3.72Å; L149-F164 HydrophobicContact CD2-CE2 4.28Å; L149-F164 HydrophobicContact CD2-CZ 4.24Å; L149-V169 HydrophobicContact CD2-CG1 3.7Å; L149-V169 HydrophobicContact CD2-CG2 4.24Å; L149-V169 HydrophobicContact CG-CG1 3.91Å; L149-L178 HydrophobicContact CD2-CB 4.11Å
150K92.1Very high88.9Confident55 Ų5564.3 Ų64.324%0.23935%0.348CS..PPolyproline II helixtrans-62.2168.9172.971.9-177.3179.3-167.90112.4S148 F152 D177 L178S148-K150 PolarHBondContact O-N 3.45Å; K150-F152 HydrophobicContact CG-CZ 4.24Å; K150-F152 WeakPolarHBondContact O-CD2 3.26Å; K150-F152 VanDerWaalsContact O-CE2 3.26Å; K150-F152 WeakPolarHBondContact O-CE2 3.49Å; K150-D177 WeakPolarHBondContact CD-O 3.38Å; K150-D177 VanDerWaalsContact CE-O 3.31Å; K150-D177 WeakPolarHBondContact CE-O 3.38Å; K150-D177 PolarHBondContact NZ-O 3.08Å; K150-L178 PolarHBondContact N-O 2.9Å
151N93Very high88.9Confident60 Ų6063.1 Ų63.132%0.32134%0.34SS..PPolyproline II helixtrans-70.8147.1176.9-61.9-27.1000111.9N126 H127 N128 N223N126-N151 HydrophobicContact CB-CB 4.27Å; N126-N151 WeakPolarHBondContact CB-OD1 2.96Å; N126-N151 WeakPolarHBondContact OD1-CA 3.45Å; N126-N151 WeakPolarHBondContact OD1-CB 3.46Å; H127-N151 PolarHBondContact N-OD1 3.15Å; H127-N151 VanDerWaalsContact N-OD1 3.15Å; N128-N151 PolarHBondContact N-OD1 2.96Å; N128-N151 PolarHBondContact OD1-ND2 3.38Å; N151-N223 PolarHBondContact ND2-ND2 2.8Å
152F91.4Very high89Confident7 Ų761.6 Ų61.63%0.03134%0.336CS..  trans-121.7155.6172.2-63.9-78.5000110.9P87 I105 F107 F124 N126 K150 A154 I162P87-F152 HydrophobicContact CG-CB 4.11Å; I105-F152 HydrophobicContact CD1-CD2 4.28Å; I105-F152 HydrophobicContact CD1-CE2 3.4Å; I105-F152 VanDerWaalsContact CD1-CE2 3.4Å; I105-F152 HydrophobicContact CD1-CZ 3.63Å; F107-F152 HydrophobicContact CE1-CB 3.95Å; F107-F152 AromaticContact CE1-CD1 3.66Å; F107-F152 HydrophobicContact CE1-CD1 3.66Å; F107-F152 HydrophobicContact CE1-CE1 4.37Å; F107-F152 AromaticContact CE1-CG 3.85Å; F107-F152 HydrophobicContact CE1-CG 3.85Å; F107-F152 AromaticContact CZ-CD1 3.62Å; F107-F152 HydrophobicContact CZ-CD1 3.62Å; F107-F152 AromaticContact CZ-CE1 3.86Å; F107-F152 HydrophobicContact CZ-CE1 3.86Å; F107-F152 HydrophobicContact CZ-CG 4.11Å; F124-F152 HydrophobicContact CD1-CD2 4.18Å; F124-F152 AromaticContact CE1-CD2 3.61Å; F124-F152 HydrophobicContact CE1-CD2 3.61Å; F124-F152 HydrophobicContact CE1-CE2 4.29Å; F124-F152 HydrophobicContact CE2-CD2 4.23Å; F124-F152 HydrophobicContact CE2-CE2 4.21Å; F124-F152 AromaticContact CZ-CD2 3.64Å; F124-F152 HydrophobicContact CZ-CD2 3.64Å; F124-F152 AromaticContact CZ-CE2 3.83Å; F124-F152 HydrophobicContact CZ-CE2 3.83Å; N126-F152 PolarHBondContact ND2-O 3.25Å; N126-F152 PolarHBondContact OD1-N 3Å; N126-F152 PolarHBondContact OD1-O 2.97Å; K150-F152 HydrophobicContact CG-CZ 4.24Å; K150-F152 WeakPolarHBondContact O-CD2 3.26Å; K150-F152 VanDerWaalsContact O-CE2 3.26Å; K150-F152 WeakPolarHBondContact O-CE2 3.49Å; F152-A154 PolarHBondContact O-N 3.48Å; F152-I162 HydrophobicContact CE1-CD1 3.56Å; F152-I162 HydrophobicContact CZ-CD1 3.82Å
153P88.1Confident89.1Confident86 Ų8665.8 Ų65.856%0.55835%0.351SS*.  trans-54.2139.3169.9-23.634.5000110.9
154A86.4Confident89.2Confident77 Ų7763.6 Ų63.664%0.63634%0.336SS*.SBendtrans-76.4147.3176.900000110.8F152F152-A154 PolarHBondContact O-N 3.48Å
155G87Confident89.2Confident23 Ų2364.1 Ų64.124%0.23734%0.338CS..SBendtrans80.8-175.818000000113.4F86F86-G155 WeakPolarHBondContact O-CA 3.46Å; F86-G155 PolarHBondContact O-N 3.43Å
156P86Confident88.9Confident102 Ų10259.4 Ų59.466%0.66232%0.318SS*.  trans-63.1139.2179.3-21.232.8000111.7F86 F107F86-P156 HydrophobicContact CB-CG 4.47Å; F86-P156 HydrophobicContact CD2-CG 4.07Å; F107-P156 CarbonylContact O-C 3.54Å; F107-P156 WeakPolarHBondContact O-CA 3.4Å
157A84.9Confident88.7Confident25 Ų2562.6 Ų62.621%0.20733%0.334CS..  trans-135.8139175.800000110.7F107 R159F107-A157 HydrophobicContact CB-CB 4.29Å; F107-A157 WeakPolarHBondContact CB-O 3.16Å; F107-A157 HydrophobicContact CD1-CB 4.46Å; F107-A157 PolarHBondContact O-N 2.93Å; A157-R159 PolarHBondContact O-N 2.95Å
158E82.6Confident88.3Confident212 Ų21266.1 Ų66.199%0.99135%0.351SS*.SBendtrans-72.574.8171.7-70.4-173.6179.600110.1
159R83.4Confident87.7Confident113 Ų11366 Ų6643%0.42635%0.35SS..  trans-144.1140.3-178.4178.2-178.2-179.9146.46.3109.2F107 A157F107-R159 HydrophobicContact CD2-CB 4.29Å; F107-R159 HydrophobicContact CD2-CG 4.2Å; F107-R159 HydrophobicContact CE2-CG 4.34Å; F107-R159 HydrophobicContact CG-CB 4.29Å; A157-R159 PolarHBondContact O-N 2.95Å
160K86.2Confident86.6Confident182 Ų18266.6 Ų66.679%0.79135%0.354SS*.  trans-59.5140.4174-64.2-172.4177.6-175.50112.4
161S90.6Very high85.6Confident17 Ų1768.2 Ų68.212%0.11936%0.361CS..  trans-44.2139.7165.4-580000112.4I105 I106 D111 D114I105-S161 VanDerWaalsContact O-CA 3.31Å; I105-S161 WeakPolarHBondContact O-CA 3.32Å; I106-S161 WeakPolarHBondContact CD1-OG 3.47Å; D111-S161 WeakPolarHBondContact CB-OG 3.49Å; D114-S161 PolarHBondContact OD2-OG 3.01Å
162I92.3Very high83.3Confident21 Ų2167.8 Ų67.811%0.10836%0.362CS..EExtended strand (participates in β ladder)trans-104.7122.6174.9-64.2167.8000108.1A104 I105 F107 F152 F164 L178A104-I162 CarbonylContact C-O 3.6Å; A104-I162 WeakPolarHBondContact CA-O 3.1Å; I105-I162 HydrophobicContact CB-CB 4.24Å; I105-I162 PolarHBondContact N-O 3.1Å; I105-I162 PolarHBondContact O-N 3.01Å; F107-I162 HydrophobicContact CE2-CD1 3.8Å; F107-I162 HydrophobicContact CE2-CG1 3.94Å; F107-I162 HydrophobicContact CZ-CD1 3.75Å; F107-I162 HydrophobicContact CZ-CG1 4.4Å; F152-I162 HydrophobicContact CE1-CD1 3.56Å; F152-I162 HydrophobicContact CZ-CD1 3.82Å; I162-F164 HydrophobicContact CG2-CD1 4.36Å; I162-L178 HydrophobicContact CD1-CD2 4.18Å; I162-L178 HydrophobicContact CG2-CD1 3.99Å; I162-L178 HydrophobicContact CG2-CD2 3.77Å
163F92.1Very high82Confident125 Ų12575.9 Ų75.955%0.54840%0.4SS..EExtended strand (participates in β ladder)trans-104.9134.5173.1-64.3-88000109.9A104 D114A104-F163 HydrophobicContact CB-CD1 3.74Å; A104-F163 HydrophobicContact CB-CE1 3.67Å; A104-F163 HydrophobicContact CB-CZ 4.39Å; D114-F163 HydrophobicContact CB-CE2 4.5Å; D114-F163 HydrophobicContact CB-CZ 3.76Å
164F91.8Very high80.8Confident18 Ų1872.5 Ų72.58%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-154.8156.1-178.569.6-80000111.7I89 M103 I105 L149 I162 V169 L178I89-F164 HydrophobicContact CD1-CZ 4.09Å; M103-F164 HydrophobicContact CB-CD1 4.25Å; M103-F164 HydrophobicContact CB-CD2 4.44Å; M103-F164 HydrophobicContact CB-CE1 3.65Å; M103-F164 HydrophobicContact CB-CE2 3.91Å; M103-F164 HydrophobicContact CB-CZ 3.47Å; M103-F164 VanDerWaalsContact CB-CZ 3.47Å; M103-F164 HydrophobicContact CG-CE2 4.49Å; M103-F164 HydrophobicContact CG-CZ 4.29Å; M103-F164 PolarHBondContact N-O 3.31Å; M103-F164 PolarHBondContact O-N 3.38Å; M103-F164 VanDerWaalsContact O-O 3.13Å; M103-F164 HydrophobicContact SD-CE2 4.08Å; M103-F164 HydrophobicContact SD-CZ 3.98Å; I105-F164 HydrophobicContact CD1-CE1 4.26Å; I105-F164 HydrophobicContact CG1-CD1 4.46Å; I105-F164 HydrophobicContact CG1-CE1 3.79Å; L149-F164 HydrophobicContact CD1-CE1 4.31Å; L149-F164 HydrophobicContact CD1-CE2 4.29Å; L149-F164 HydrophobicContact CD1-CZ 3.72Å; L149-F164 HydrophobicContact CD2-CE2 4.28Å; L149-F164 HydrophobicContact CD2-CZ 4.24Å; I162-F164 HydrophobicContact CG2-CD1 4.36Å; F164-V169 HydrophobicContact CD2-CB 4.47Å; F164-V169 HydrophobicContact CD2-CG2 3.45Å; F164-V169 VanDerWaalsContact CD2-CG2 3.45Å; F164-V169 HydrophobicContact CE2-CG2 3.95Å; F164-V169 HydrophobicContact CG-CG2 4.3Å; F164-L178 HydrophobicContact CB-CD1 3.8Å; F164-L178 HydrophobicContact CG-CD1 4.22Å
165N89.9Confident79.6Confident34 Ų3474.3 Ų74.318%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-94.9125.9168-170.9-61.7000109.6H101 E102 H167 N168H101-N165 CarbonylContact O-C 3.53Å; H101-N165 WeakPolarHBondContact O-CA 3.41Å; E102-N165 PolarHBondContact OE1-ND2 2.9Å; N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 VanDerWaalsContact O-N 3.12Å; N165-H167 WeakPolarHBondContact OD1-CB 3.41Å; N165-H167 PolarHBondContact OD1-N 2.83Å; N165-N168 WeakPolarHBondContact O-CB 3.44Å; N165-N168 PolarHBondContact O-N 3.41Å
166S85.9Confident79Confident22 Ų2275.1 Ų75.115%0.15439%0.389CS..G310 helixtrans-58.2-25.4-17761.50000114.5H101 N168 V169 S170H101-S166 VanDerWaalsContact CB-OG 3.3Å; H101-S166 WeakPolarHBondContact CB-OG 3.36Å; H101-S166 PolarHBondContact ND1-OG 3.35Å; H101-S166 VanDerWaalsContact ND1-OG 3.11Å; H101-S166 PolarHBondContact O-N 3.14Å; H101-S166 PolarHBondContact O-OG 3.22Å; S166-N168 VanDerWaalsContact C-N 3.25Å; S166-N168 PolarHBondContact O-N 3.27Å; S166-V169 PolarHBondContact O-N 3.26Å; S166-S170 PolarHBondContact O-N 2.99Å
167H82.4Confident78.4Confident80 Ų8076.6 Ų76.637%0.3739%0.391SS..G310 helixtrans-66.5-26.2174.2-69-34.3000113.4H101 N165 V169 K171 S174H101-H167 AromaticContact CD2-CD2 3.93Å; H101-H167 AromaticContact CD2-CE1 3.68Å; H101-H167 AromaticContact CD2-NE2 3.18Å; H101-H167 PolarHBondContact CD2-NE2 3.06Å; H101-H167 AromaticContact CE1-CE1 3.55Å; H101-H167 AromaticContact CE1-NE2 3.85Å; H101-H167 AromaticContact CG-CD2 3.95Å; H101-H167 AromaticContact CG-CE1 3.75Å; H101-H167 AromaticContact CG-NE2 3.52Å; H101-H167 AromaticContact ND1-CE1 3.67Å; H101-H167 AromaticContact ND1-NE2 3.91Å; H101-H167 AromaticContact NE2-CE1 3.57Å; H101-H167 AromaticContact NE2-NE2 3.44Å; H101-H167 PolarHBondContact NE2-NE2 3.33Å; N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 VanDerWaalsContact O-N 3.12Å; N165-H167 WeakPolarHBondContact OD1-CB 3.41Å; N165-H167 PolarHBondContact OD1-N 2.83Å; H167-V169 VanDerWaalsContact C-N 3.26Å; H167-V169 PolarHBondContact O-N 3.4Å; H167-K171 WeakPolarHBondContact O-CG 3.46Å; H167-S174 PolarHBondContact O-OG 2.93Å
168N81.4Confident77.8Confident114 Ų11476.9 Ų76.961%0.6139%0.389SS*.G310 helixtrans-83.5-6179-61.9-17.8000112.5N165 S166 S174N165-N168 WeakPolarHBondContact O-CB 3.44Å; N165-N168 PolarHBondContact O-N 3.41Å; S166-N168 VanDerWaalsContact C-N 3.25Å; S166-N168 PolarHBondContact O-N 3.27Å; N168-S174 WeakPolarHBondContact O-CB 3.34Å; N168-S174 PolarHBondContact O-OG 2.75Å
169V81.4Confident77.3Confident4 Ų467.6 Ų67.62%0.02435%0.346CS..THydrogen-bonded Turntrans-108.1-43.1-175179.10000112.1L149 F164 S166 H167 S174 T179L149-V169 HydrophobicContact CD2-CG1 3.7Å; L149-V169 HydrophobicContact CD2-CG2 4.24Å; L149-V169 HydrophobicContact CG-CG1 3.91Å; F164-V169 HydrophobicContact CD2-CB 4.47Å; F164-V169 HydrophobicContact CD2-CG2 3.45Å; F164-V169 VanDerWaalsContact CD2-CG2 3.45Å; F164-V169 HydrophobicContact CE2-CG2 3.95Å; F164-V169 HydrophobicContact CG-CG2 4.3Å; S166-V169 PolarHBondContact O-N 3.26Å; H167-V169 VanDerWaalsContact C-N 3.26Å; H167-V169 PolarHBondContact O-N 3.4Å; V169-S174 VanDerWaalsContact C-CB 3.46Å; V169-S174 VanDerWaalsContact O-CB 3.22Å; V169-S174 WeakPolarHBondContact O-CB 3.16Å; V169-T179 HydrophobicContact CB-CG2 4.4Å; V169-T179 HydrophobicContact CG1-CG2 3.74Å; V169-T179 VanDerWaalsContact O-CG2 3.31Å; V169-T179 WeakPolarHBondContact O-CG2 3.22Å
170S69.8Low76.6Confident21 Ų2164.7 Ų64.715%0.14734%0.344CS..SBendtrans-123.429.9-167.8-58.90000115.4P147 S166P147-S170 VanDerWaalsContact O-CA 3.28Å; P147-S170 WeakPolarHBondContact O-CA 3.36Å; P147-S170 WeakPolarHBondContact O-CB 3.41Å; P147-S170 PolarHBondContact O-OG 2.93Å; S166-S170 PolarHBondContact O-N 2.99Å
171K70.9Confident75.4Confident89 Ų8959.5 Ų59.539%0.38733%0.327SS..SBendtrans-91.3160.4165.1-67.1-72-171.3169.20109.9H167 E173 S174H167-K171 WeakPolarHBondContact O-CG 3.46Å; K171-E173 PolarHBondContact O-N 3.42Å; K171-S174 WeakPolarHBondContact CB-OG 3.27Å; K171-S174 PolarHBondContact N-OG 2.88Å; K171-S174 VanDerWaalsContact O-CB 3.26Å; K171-S174 WeakPolarHBondContact O-CB 3.44Å; K171-S174 PolarHBondContact O-N 3.27Å; K171-S174 PolarHBondContact O-OG 2.9Å
172P45.5Very low73.2Confident51 Ų5161.5 Ų61.533%0.33135%0.35SS..THydrogen-bonded Turntrans-58.1-38.4-172.4-23.535.3000113R146 E240R146-P172 VanDerWaalsContact NH1-CD 3.31Å; P172-E240 WeakPolarHBondContact CD-OE2 3.07Å; P172-E240 HydrophobicContact CG-CG 4.08Å; P172-E240 WeakPolarHBondContact CG-OE1 3.48Å; P172-E240 WeakPolarHBondContact CG-OE2 3.37Å
173E62.9Low70.5Confident177 Ų17769.7 Ų69.783%0.82739%0.393SS*.THydrogen-bonded Turntrans-93.311.2-179.8-53.1-55.3146.300113.3K171 S175K171-E173 PolarHBondContact O-N 3.42Å; E173-S175 PolarHBondContact O-N 2.98Å
174S64.3Low67.7Low15 Ų1569.4 Ų69.411%0.10541%0.405CS..  trans-70.1113.4-178.8-72.20000111.3H167 N168 V169 K171H167-S174 PolarHBondContact O-OG 2.93Å; N168-S174 WeakPolarHBondContact O-CB 3.34Å; N168-S174 PolarHBondContact O-OG 2.75Å; V169-S174 VanDerWaalsContact C-CB 3.46Å; V169-S174 VanDerWaalsContact O-CB 3.22Å; V169-S174 WeakPolarHBondContact O-CB 3.16Å; K171-S174 WeakPolarHBondContact CB-OG 3.27Å; K171-S174 PolarHBondContact N-OG 2.88Å; K171-S174 VanDerWaalsContact O-CB 3.26Å; K171-S174 WeakPolarHBondContact O-CB 3.44Å; K171-S174 PolarHBondContact O-N 3.27Å; K171-S174 PolarHBondContact O-OG 2.9Å
175S59.6Low64.9Low115 Ų11571.9 Ų71.980%0.80442%0.422SS*.  trans-130.9120.5173.4-176.10000109.8E173E173-S175 PolarHBondContact O-N 2.98Å
176S74.8Confident62Low41 Ų4174.3 Ų74.329%0.28744%0.441SS..SBendtrans-154.9170.2177.768.60000110.9L178 T179 S180S176-L178 PolarHBondContact O-N 3.38Å; S176-L178 PolarHBondContact OG-N 3.43Å; S176-T179 PolarHBondContact N-OG1 2.86Å; S176-T179 CarbonylContact O-C 3.57Å; S176-T179 PolarHBondContact O-N 2.94Å; S176-T179 PolarHBondContact O-OG1 2.8Å; S176-S180 PolarHBondContact O-N 2.8Å
177D73.5Confident59.7Low133 Ų13383.4 Ų83.471%0.71148%0.479SS*.THydrogen-bonded Turntrans-58.7-18.1171.7-72.2-24.8000113.8K150 S180K150-D177 WeakPolarHBondContact CD-O 3.38Å; K150-D177 VanDerWaalsContact CE-O 3.31Å; K150-D177 WeakPolarHBondContact CE-O 3.38Å; K150-D177 PolarHBondContact NZ-O 3.08Å; D177-S180 PolarHBondContact O-OG 3.35Å; D177-S180 VanDerWaalsContact O-OG 3.12Å
178L73.7Confident57.4Low31 Ų3187.6 Ų87.616%0.16250%0.496CS..THydrogen-bonded Turntrans-83.5-22.6177-62.1179.6000112.7L149 K150 I162 F164 S176L149-L178 HydrophobicContact CD2-CB 4.11Å; K150-L178 PolarHBondContact N-O 2.9Å; I162-L178 HydrophobicContact CD1-CD2 4.18Å; I162-L178 HydrophobicContact CG2-CD1 3.99Å; I162-L178 HydrophobicContact CG2-CD2 3.77Å; F164-L178 HydrophobicContact CB-CD1 3.8Å; F164-L178 HydrophobicContact CG-CD1 4.22Å; S176-L178 PolarHBondContact O-N 3.38Å; S176-L178 PolarHBondContact OG-N 3.43Å
179T71.3Confident54.9Low16 Ų1684.8 Ų84.810%0.09849%0.494CS..THydrogen-bonded Turntrans-105.2-6.9176.860.50000112.5P147 S148 V169 S176 V181P147-T179 HydrophobicContact CB-CG2 4.2Å; S148-T179 WeakPolarHBondContact O-CA 3.22Å; V169-T179 HydrophobicContact CB-CG2 4.4Å; V169-T179 HydrophobicContact CG1-CG2 3.74Å; V169-T179 VanDerWaalsContact O-CG2 3.31Å; V169-T179 WeakPolarHBondContact O-CG2 3.22Å; S176-T179 PolarHBondContact N-OG1 2.86Å; S176-T179 CarbonylContact O-C 3.57Å; S176-T179 PolarHBondContact O-N 2.94Å; S176-T179 PolarHBondContact O-OG1 2.8Å; T179-V181 PolarHBondContact O-N 3.22Å; T179-V181 VanDerWaalsContact O-N 3.17Å
180S69.8Low52.6Low53 Ų5390.1 Ų90.137%0.37153%0.526SS..  trans-67.3115.4177.564.70000110.7S176 D177 G182S176-S180 PolarHBondContact O-N 2.8Å; D177-S180 PolarHBondContact O-OG 3.35Å; D177-S180 VanDerWaalsContact O-OG 3.12Å; S180-G182 PolarHBondContact O-N 2.77Å
181V59.3Low51.1Low73 Ų7398.9 Ų98.944%0.44256%0.556SS.*  trans-75.6105.5168.1-170.90000105.9A129 T179 L183 V185A129-V181 HydrophobicContact CB-CG2 3.75Å; T179-V181 PolarHBondContact O-N 3.22Å; T179-V181 VanDerWaalsContact O-N 3.17Å; V181-L183 PolarHBondContact O-N 2.83Å; V181-V185 HydrophobicContact CG1-CB 3.63Å; V181-V185 HydrophobicContact CG1-CG2 3.25Å
182G44.7Very low49.5Very low59 Ų5999.9 Ų99.961%0.60857%0.57SS**  trans-50.4139167.300000108.4S180 C184S180-G182 PolarHBondContact O-N 2.77Å; G182-C184 PolarHBondContact O-N 2.81Å
183L35.7Very low49Very low192 Ų19299.9 Ų99.9100%1.00558%0.579SS**SBendtrans-33.77.3-170.6-99.2135.9000121.1V181V181-L183 PolarHBondContact O-N 2.83Å
184C33.2Very low48Very low119 Ų11993.9 Ų93.980%0.80456%0.56SS**  trans-121.451.4-176-1620000112.9G182G182-C184 PolarHBondContact O-N 2.81Å
185V33.9Very low47.4Very low71 Ų7194.1 Ų94.143%0.4357%0.565SS.*  trans-131.692.5154.6-173.10000107.6V181 F187V181-V185 HydrophobicContact CG1-CB 3.63Å; V181-V185 HydrophobicContact CG1-CG2 3.25Å; V185-F187 PolarHBondContact O-N 2.88Å
186S29Very low47.2Very low84 Ų8495 Ų9559%0.58755%0.554SS**  trans-55.1132.616449.60000109.7F188S186-F188 WeakPolarHBondContact O-CD2 3.34Å; S186-F188 PolarHBondContact O-N 3.21Å
187F36.3Very low46.3Very low214 Ų21495.7 Ų95.794%0.93956%0.559SS**  trans-22.791.5163.7-132.5-98.3000113.1V185V185-F187 PolarHBondContact O-N 2.88Å
188F33.9Very low45.7Very low167 Ų16789.4 Ų89.473%0.73253%0.526SS*.  trans-93.3111.5170-91-77.1000108.3S186S186-F188 WeakPolarHBondContact O-CD2 3.34Å; S186-F188 PolarHBondContact O-N 3.21Å
189G30.2Very low45.3Very low55 Ų5588.6 Ų88.657%0.56752%0.521SS*.  trans-60.1146.4-174.400000113.6R191G189-R191 PolarHBondContact O-N 2.73Å
190V32Very low44.9Very low116 Ų11691.1 Ų91.170%0.70353%0.534SS*.  trans-24.798.3161.3-179.60000112.2T192V190-T192 HydrophobicContact CG1-CG2 3.18Å; V190-T192 PolarHBondContact O-N 3.03Å; V190-T192 VanDerWaalsContact O-N 3.13Å
191R38.2Very low44.8Very low206 Ų20691.2 Ų91.278%0.77753%0.53SS*.  trans-83.767.8167.1-74.5-175.4172.3-173.3-1.9109.5G189 G193G189-R191 PolarHBondContact O-N 2.73Å; R191-G193 PolarHBondContact O-N 3.33Å
192T37.9Very low45.4Very low109 Ų10988 Ų8867%0.66951%0.51SS*.THydrogen-bonded Turntrans-79.499.3173.543.40000110.7V190V190-T192 HydrophobicContact CG1-CG2 3.18Å; V190-T192 PolarHBondContact O-N 3.03Å; V190-T192 VanDerWaalsContact O-N 3.13Å
193G34.8Very low46.6Very low51 Ų5185.4 Ų85.453%0.52648%0.482SS..THydrogen-bonded Turntrans178.2-56.3165.900000112.6R191R191-G193 PolarHBondContact O-N 3.33Å
194A41.5Very low48.3Very low51 Ų5182 Ų8242%0.42146%0.461SS..Hα-helixtrans-75.1-31.4-176.600000114.5S197A194-S197 PolarHBondContact O-OG 2.95Å
195G52.6Low50.3Low21 Ų2179.3 Ų79.322%0.21644%0.436CS..Hα-helixtrans-73.8-22.1-178.500000114.5L198 N199G195-L198 PolarHBondContact O-N 2.88Å; G195-N199 PolarHBondContact O-N 3.46Å; G195-N199 PolarHBondContact O-ND2 2.77Å
196K54.3Low52.1Low132 Ų13276 Ų7657%0.57442%0.416SS*.Hα-helixtrans-69-40.6-178.2-72.6-172177-174.90112.7Y141 I200Y141-K196 VanDerWaalsContact OH-CA 3.26Å; Y141-K196 WeakPolarHBondContact OH-CA 3.38Å; Y141-K196 PolarHBondContact OH-O 3.49Å; K196-I200 WeakPolarHBondContact O-CD1 3.47Å; K196-I200 VanDerWaalsContact O-CG1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.49Å
197S56Low54.3Low57 Ų5774 Ų7440%0.39940%0.395SS..Hα-helixtrans-72.9-33177.554.70000112.4A194 I200 N201A194-S197 PolarHBondContact O-OG 2.95Å; S197-I200 PolarHBondContact O-N 3.1Å; S197-N201 PolarHBondContact O-N 3.16Å; S197-N201 PolarHBondContact O-ND2 3.4Å
198L61.3Low55.9Low1 Ų167.3 Ų67.31%0.00538%0.375CS..Hα-helixtrans-59.8-49.7178-164.774.6000112.1D56 R58 I59 G195 I200 N201 L202 H228D56-L198 HydrophobicContact CB-CD1 4.43Å; D56-L198 WeakPolarHBondContact OD2-CD1 3.02Å; R58-L198 HydrophobicContact CB-CD1 4.49Å; I59-L198 HydrophobicContact CD1-CD1 3.7Å; I59-L198 HydrophobicContact CD1-CG 4.24Å; I59-L198 HydrophobicContact CG1-CD1 3.36Å; I59-L198 HydrophobicContact CG1-CD2 4.4Å; I59-L198 HydrophobicContact CG1-CG 4.01Å; G195-L198 PolarHBondContact O-N 2.88Å; L198-I200 PolarHBondContact O-N 2.8Å; L198-N201 PolarHBondContact O-N 3.26Å; L198-L202 HydrophobicContact CG-CD1 4.36Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 2.94Å; L198-H228 HydrophobicContact CD2-CB 3.67Å
199N66.1Low57.6Low13 Ų1363.5 Ų63.57%0.0736%0.358CS..Hα-helixtrans-68.3-35.9-176.9-66.3-33.1000112.3V134 Y141 V143 G195 N201 L202 N203V134-N199 HydrophobicContact CG1-CB 4.06Å; Y141-N199 HydrophobicContact CD2-CB 3.98Å; Y141-N199 HydrophobicContact CE1-CB 4.5Å; Y141-N199 HydrophobicContact CE2-CB 3.63Å; V143-N199 WeakPolarHBondContact CG2-ND2 3.36Å; G195-N199 PolarHBondContact O-N 3.46Å; G195-N199 PolarHBondContact O-ND2 2.77Å; N199-N201 PolarHBondContact O-N 3.46Å; N199-L202 PolarHBondContact O-N 2.9Å; N199-N203 WeakPolarHBondContact O-CB 3.41Å; N199-N203 PolarHBondContact O-N 2.78Å; N199-N203 PolarHBondContact O-ND2 3.22Å; N199-N203 PolarHBondContact O-OD1 3.45Å
200I61.4Low59.7Low70 Ų7061.5 Ų61.536%0.35934%0.335SS..Hα-helixtrans-61.3-46.9175.3-66.8167.4000110.5Y141 K196 S197 L198 N203 Q204Y141-I200 HydrophobicContact CD1-CG1 4.27Å; Y141-I200 HydrophobicContact CE1-CD1 4.14Å; Y141-I200 HydrophobicContact CE1-CG1 3.38Å; K196-I200 WeakPolarHBondContact O-CD1 3.47Å; K196-I200 VanDerWaalsContact O-CG1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.49Å; S197-I200 PolarHBondContact O-N 3.1Å; L198-I200 PolarHBondContact O-N 2.8Å; I200-N203 PolarHBondContact O-N 2.74Å; I200-Q204 WeakPolarHBondContact O-CB 3.47Å; I200-Q204 WeakPolarHBondContact O-CG 3.46Å; I200-Q204 PolarHBondContact O-N 3.05Å
201N69.4Low62Low54 Ų5459 Ų5929%0.28932%0.32SS..Hα-helixtrans-68.6-38.5-178.6-68.3-30.7000112.2M52 S197 L198 N199 K205M52-N201 HydrophobicContact CE-CB 3.42Å; M52-N201 VanDerWaalsContact CE-CB 3.42Å; M52-N201 HydrophobicContact SD-CB 4.22Å; S197-N201 PolarHBondContact O-N 3.16Å; S197-N201 PolarHBondContact O-ND2 3.4Å; L198-N201 PolarHBondContact O-N 3.26Å; N199-N201 PolarHBondContact O-N 3.46Å; N201-K205 VanDerWaalsContact O-CB 3.25Å; N201-K205 WeakPolarHBondContact O-CB 3.46Å; N201-K205 PolarHBondContact O-N 2.89Å
202L71.7Confident64.4Low5 Ų549.2 Ų49.23%0.02628%0.283CS..Hα-helixtrans-57.1-52.3173.1-82.2169.8000111.3I48 I59 L198 N199 Q204 K205 E206I48-L202 HydrophobicContact CG2-CD2 3.82Å; I59-L202 HydrophobicContact CD1-CD1 4.21Å; I59-L202 HydrophobicContact CD1-CD2 3.65Å; I59-L202 HydrophobicContact CD1-CG 3.72Å; I59-L202 HydrophobicContact CG2-CD2 4.2Å; L198-L202 HydrophobicContact CG-CD1 4.36Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 2.94Å; N199-L202 PolarHBondContact O-N 2.9Å; L202-Q204 PolarHBondContact O-N 3.12Å; L202-K205 PolarHBondContact O-N 3.15Å; L202-E206 PolarHBondContact O-N 2.98Å
203N69.9Low66.8Low6 Ų646.7 Ų46.73%0.03226%0.261CS..Hα-helixtrans-63-44.8-178.5-62.2-6.9000111.7V136 Y141 N199 I200 K205 R207 F217V136-N203 HydrophobicContact CG1-CB 4.44Å; V136-N203 WeakPolarHBondContact CG2-OD1 3.47Å; Y141-N203 WeakPolarHBondContact CB-ND2 3.18Å; N199-N203 WeakPolarHBondContact O-CB 3.41Å; N199-N203 PolarHBondContact O-N 2.78Å; N199-N203 PolarHBondContact O-ND2 3.22Å; N199-N203 PolarHBondContact O-OD1 3.45Å; I200-N203 PolarHBondContact O-N 2.74Å; N203-K205 VanDerWaalsContact C-N 3.3Å; N203-K205 PolarHBondContact O-N 2.87Å; N203-R207 WeakPolarHBondContact O-CG 3.33Å; N203-R207 PolarHBondContact O-N 3.48Å; N203-F217 WeakPolarHBondContact OD1-CE2 3.49Å
204Q71.7Confident69.6Low119 Ų11944.5 Ų44.556%0.55624%0.237SC*.Hα-helixtrans-62.5-39.4177.2-74.7-177.12.700111.8I200 L202 S208I200-Q204 WeakPolarHBondContact O-CB 3.47Å; I200-Q204 WeakPolarHBondContact O-CG 3.46Å; I200-Q204 PolarHBondContact O-N 3.05Å; L202-Q204 PolarHBondContact O-N 3.12Å; Q204-S208 PolarHBondContact O-N 3.35Å
205K74.1Confident72.1Confident64 Ų6442.1 Ų42.128%0.27822%0.218SC..Hα-helixtrans-75-38.3-177.6-164.970.5-156.4160.90112.3I48 C51 M52 N201 L202 N203 R207 S208 F209I48-K205 HydrophobicContact CG2-CB 4.15Å; I48-K205 HydrophobicContact CG2-CG 4.13Å; C51-K205 HydrophobicContact CB-CD 4.37Å; M52-K205 HydrophobicContact CG-CG 4.41Å; M52-K205 HydrophobicContact SD-CB 4.21Å; M52-K205 HydrophobicContact SD-CG 4.33Å; N201-K205 VanDerWaalsContact O-CB 3.25Å; N201-K205 WeakPolarHBondContact O-CB 3.46Å; N201-K205 PolarHBondContact O-N 2.89Å; L202-K205 PolarHBondContact O-N 3.15Å; N203-K205 VanDerWaalsContact C-N 3.3Å; N203-K205 PolarHBondContact O-N 2.87Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 2.92Å; K205-S208 WeakPolarHBondContact CE-OG 3.34Å; K205-S208 PolarHBondContact NZ-OG 2.86Å; K205-S208 WeakPolarHBondContact O-CB 3.43Å; K205-S208 PolarHBondContact O-N 2.78Å; K205-S208 VanDerWaalsContact O-N 3.15Å; K205-S208 PolarHBondContact O-OG 3.31Å; K205-F209 HydrophobicContact CD-CE2 4.11Å; K205-F209 VanDerWaalsContact CE-CZ 3.5Å; K205-F209 HydrophobicContact CG-CD2 4.16Å; K205-F209 HydrophobicContact CG-CE2 3.87Å; K205-F209 WeakPolarHBondContact O-CD2 3.34Å; K205-F209 PolarHBondContact O-N 2.83Å
206E71.9Confident74Confident1 Ų141.2 Ų41.21%0.00521%0.208CC..Hα-helixtrans-56.3-49.3172.2-176.6176.9-15200110.6L44 I48 L202 S208 F209 N210 F217L44-E206 HydrophobicContact CD2-CG 4.3Å; I48-E206 HydrophobicContact CD1-CB 3.79Å; I48-E206 HydrophobicContact CD1-CG 4.11Å; L202-E206 PolarHBondContact O-N 2.98Å; E206-S208 PolarHBondContact O-N 2.78Å; E206-F209 CarbonylContact O-C 3.55Å; E206-F209 WeakPolarHBondContact O-CA 3.32Å; E206-F209 PolarHBondContact O-N 3.5Å; E206-N210 CarbonylContact C-O 3.5Å; E206-N210 HydrophobicContact CG-CB 4.29Å; E206-N210 PolarHBondContact O-N 2.85Å; E206-F217 HydrophobicContact CB-CZ 4.04Å; E206-F217 HydrophobicContact CG-CZ 4.4Å; E206-F217 VanDerWaalsContact OE2-CE2 3.31Å; E206-F217 WeakPolarHBondContact OE2-CE2 3.37Å; E206-F217 WeakPolarHBondContact OE2-CZ 3.3Å
207R74.3Confident75.8Confident43 Ų4335 Ų3516%0.16218%0.181CC..Hα-helixtrans-56.3-29.1179-70.4-172.2-157.7165-85.9114.1G138 D139 N203 K205 F209 N210 I212G138-R207 VanDerWaalsContact CA-NH2 3.34Å; G138-R207 PolarHBondContact O-NE 2.73Å; G138-R207 PolarHBondContact O-NH1 2.83Å; G138-R207 VanDerWaalsContact O-NH1 3.13Å; G138-R207 PolarHBondContact O-NH2 2.78Å; D139-R207 IonicContact OD1-CZ 3.62Å; D139-R207 IonicContact OD1-NH1 2.75Å; D139-R207 PolarHBondContact OD1-NH1 2.92Å; D139-R207 IonicContact OD1-NH2 2.94Å; D139-R207 PolarHBondContact OD1-NH2 3.18Å; N203-R207 WeakPolarHBondContact O-CG 3.33Å; N203-R207 PolarHBondContact O-N 3.48Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 2.92Å; R207-F209 VanDerWaalsContact C-N 3.31Å; R207-N210 WeakPolarHBondContact CA-O 3.23Å; R207-I212 WeakPolarHBondContact CG-O 3.08Å
208S69.9Low77.6Confident72 Ų7232.7 Ų32.750%0.50317%0.165SC..Hα-helixtrans-72.9-21.3175.376.80000113.9Q204 K205 E206Q204-S208 PolarHBondContact O-N 3.35Å; K205-S208 WeakPolarHBondContact CE-OG 3.34Å; K205-S208 PolarHBondContact NZ-OG 2.86Å; K205-S208 WeakPolarHBondContact O-CB 3.43Å; K205-S208 PolarHBondContact O-N 2.78Å; K205-S208 VanDerWaalsContact O-N 3.15Å; K205-S208 PolarHBondContact O-OG 3.31Å; E206-S208 PolarHBondContact O-N 2.78Å
209F71.3Confident79.1Confident88 Ų8832.8 Ų32.839%0.38617%0.165SC..Hα-helixtrans-109.6-29.5-178.6-71.9-55.9000114.2L44 I48 C51 K205 E206 R207L44-F209 HydrophobicContact CD1-CB 3.58Å; L44-F209 HydrophobicContact CD1-CG 4.45Å; I48-F209 HydrophobicContact CG1-CD2 3.85Å; I48-F209 HydrophobicContact CG1-CE2 4.34Å; C51-F209 HydrophobicContact CB-CE2 4.33Å; C51-F209 HydrophobicContact CB-CZ 4.43Å; C51-F209 VanDerWaalsContact SG-CZ 3.54Å; K205-F209 HydrophobicContact CD-CE2 4.11Å; K205-F209 VanDerWaalsContact CE-CZ 3.5Å; K205-F209 HydrophobicContact CG-CD2 4.16Å; K205-F209 HydrophobicContact CG-CE2 3.87Å; K205-F209 WeakPolarHBondContact O-CD2 3.34Å; K205-F209 PolarHBondContact O-N 2.83Å; E206-F209 CarbonylContact O-C 3.55Å; E206-F209 WeakPolarHBondContact O-CA 3.32Å; E206-F209 PolarHBondContact O-N 3.5Å; R207-F209 VanDerWaalsContact C-N 3.31Å
210N72.8Confident80.4Confident13 Ų1332.4 Ų32.47%0.0716%0.163CC..SBendtrans-146.9110.9-176.3-161.227.8000106.7A31 L44 E206 R207 I212A31-N210 WeakPolarHBondContact CA-OD1 3.32Å; A31-N210 VanDerWaalsContact CB-OD1 3.3Å; A31-N210 WeakPolarHBondContact CB-OD1 3.41Å; L44-N210 HydrophobicContact CD1-CB 4.1Å; L44-N210 HydrophobicContact CD2-CB 3.62Å; L44-N210 WeakPolarHBondContact CD2-ND2 3.34Å; E206-N210 CarbonylContact C-O 3.5Å; E206-N210 HydrophobicContact CG-CB 4.29Å; E206-N210 PolarHBondContact O-N 2.85Å; R207-N210 WeakPolarHBondContact CA-O 3.23Å; N210-I212 WeakPolarHBondContact ND2-CD1 3.49Å; N210-I212 PolarHBondContact O-N 3.36Å
211T81.6Confident81.9Confident64 Ų6431.7 Ų31.739%0.39316%0.158SC..  trans-7377.4-176.5-50.30000109.9P28 Y213P28-T211 WeakPolarHBondContact CD-O 3.27Å; P28-T211 HydrophobicContact CG-CG2 4.43Å; T211-Y213 HydrophobicContact CG2-CE2 3.61Å; T211-Y213 WeakPolarHBondContact CG2-OH 3.48Å
212I87.6Confident83Confident0 Ų030.1 Ų30.10%015%0.15CC..  trans-120.4134.4176.1-58.6-169000108.2D27 A31 L35 R207 N210 D215D27-I212 WeakPolarHBondContact OD2-CG2 3.38Å; A31-I212 HydrophobicContact CB-CD1 3.9Å; A31-I212 HydrophobicContact CB-CG1 3.46Å; A31-I212 VanDerWaalsContact CB-CG1 3.46Å; L35-I212 HydrophobicContact CD1-CD1 3.25Å; L35-I212 HydrophobicContact CD1-CG2 4.44Å; L35-I212 HydrophobicContact CD2-CD1 4.2Å; L35-I212 HydrophobicContact CG-CD1 3.43Å; L35-I212 VanDerWaalsContact CG-CD1 3.43Å; R207-I212 WeakPolarHBondContact CG-O 3.08Å; N210-I212 WeakPolarHBondContact ND2-CD1 3.49Å; N210-I212 PolarHBondContact O-N 3.36Å; I212-D215 HydrophobicContact CG2-CB 3.72Å; I212-D215 WeakPolarHBondContact CG2-OD2 3.23Å
213Y89.1Confident84Confident56 Ų5632.8 Ų32.822%0.2216%0.164CC..SBendtrans-117.6-26.2-178.2-57.2-70.1000111.9L26 D27 V137 G138 T211 H252L26-Y213 HydrophobicContact CD2-CD2 3.59Å; L26-Y213 HydrophobicContact CD2-CE2 3.97Å; L26-Y213 HydrophobicContact CD2-CG 4.44Å; D27-Y213 VanDerWaalsContact CG-N 3.33Å; D27-Y213 WeakPolarHBondContact OD1-CB 3.37Å; D27-Y213 WeakPolarHBondContact OD1-CD2 3.36Å; D27-Y213 PolarHBondContact OD1-N 3.34Å; D27-Y213 PolarHBondContact OD2-N 3.02Å; V137-Y213 WeakPolarHBondContact CA-O 3.31Å; G138-Y213 PolarHBondContact N-O 3.31Å; T211-Y213 HydrophobicContact CG2-CE2 3.61Å; T211-Y213 WeakPolarHBondContact CG2-OH 3.48Å; Y213-H252 WeakPolarHBondContact CB-NE2 2.84Å; Y213-H252 AromaticContact CD1-CE1 3.45Å; Y213-H252 VanDerWaalsContact CD1-CE1 3.45Å; Y213-H252 WeakPolarHBondContact CD1-CE1 3.48Å; Y213-H252 AromaticContact CD1-NE2 3.61Å; Y213-H252 AromaticContact CD2-NE2 3.81Å; Y213-H252 AromaticContact CE1-CE1 3.99Å; Y213-H252 AromaticContact CG-CE1 3.64Å; Y213-H252 AromaticContact CG-NE2 3.27Å; Y213-H252 VanDerWaalsContact CG-NE2 3.27Å
214L93.4Very high85Confident4 Ų439.5 Ų39.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-117.391.7-178.1-56.8179.7000109.1D27 V137 F236 Y239 L249D27-L214 PolarHBondContact OD2-N 2.85Å; V137-L214 HydrophobicContact CB-CD2 4.38Å; V137-L214 HydrophobicContact CG1-CD2 3.84Å; L214-F236 HydrophobicContact CB-CD2 3.96Å; L214-F236 HydrophobicContact CB-CG 4.44Å; L214-F236 HydrophobicContact CD1-CD2 3.51Å; L214-F236 HydrophobicContact CD1-CE2 3.35Å; L214-F236 HydrophobicContact CD1-CZ 4.34Å; L214-F236 HydrophobicContact CG-CD2 4.38Å; L214-F236 WeakPolarHBondContact O-CA 3.36Å; L214-F236 PolarHBondContact O-N 2.89Å; L214-Y239 VanDerWaalsContact C-OH 3.28Å; L214-Y239 WeakPolarHBondContact CA-OH 3.46Å; L214-Y239 WeakPolarHBondContact CB-OH 3.39Å; L214-L249 HydrophobicContact CD1-CD1 4.12Å; L214-L249 HydrophobicContact CD2-CD1 3.97Å
215D94.3Very high85.9Confident1 Ų137.6 Ų37.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-145.3-179-179.959.448.4000113.4V136 I212 I233 N234 Y239V136-D215 WeakPolarHBondContact CB-OD1 3.26Å; V136-D215 WeakPolarHBondContact CG2-OD1 3.44Å; V136-D215 PolarHBondContact N-O 3.41Å; V136-D215 PolarHBondContact O-N 2.65Å; I212-D215 HydrophobicContact CG2-CB 3.72Å; I212-D215 WeakPolarHBondContact CG2-OD2 3.23Å; D215-I233 HydrophobicContact CB-CG2 4.48Å; D215-N234 CarbonylContact C-O 3.54Å; D215-N234 WeakPolarHBondContact CA-O 3.25Å; D215-N234 WeakPolarHBondContact CB-O 3.45Å; D215-Y239 PolarHBondContact N-OH 3.03Å
216C92.4Very high86.6Confident2 Ų235.9 Ų35.91%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-143.6129.8167.6163.50000111V134 F135 I233 N234 P237V134-C216 CarbonylContact O-C 3.47Å; V134-C216 WeakPolarHBondContact O-CA 3.22Å; F135-C216 HydrophobicContact CD1-CB 3.72Å; F135-C216 HydrophobicContact CE1-CB 4.03Å; F135-C216 HydrophobicContact CG-CB 4.49Å; C216-I233 WeakPolarHBondContact O-CA 3.39Å; C216-N234 PolarHBondContact N-O 3.45Å; C216-N234 PolarHBondContact O-N 3.41Å; C216-P237 HydrophobicContact CB-CB 3.85Å; C216-P237 HydrophobicContact CB-CG 3.53Å
217F92.1Very high87.4Confident3 Ų338.9 Ų38.91%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-87.1132.8166.4-61.7-94.6000110.6V134 V136 N203 E206 V219 V230 I233V134-F217 HydrophobicContact CB-CB 4.2Å; V134-F217 PolarHBondContact N-O 2.95Å; V134-F217 PolarHBondContact O-N 3.38Å; V136-F217 HydrophobicContact CG2-CD2 4.06Å; V136-F217 HydrophobicContact CG2-CE2 4.07Å; N203-F217 WeakPolarHBondContact OD1-CE2 3.49Å; E206-F217 HydrophobicContact CB-CZ 4.04Å; E206-F217 HydrophobicContact CG-CZ 4.4Å; E206-F217 VanDerWaalsContact OE2-CE2 3.31Å; E206-F217 WeakPolarHBondContact OE2-CE2 3.37Å; E206-F217 WeakPolarHBondContact OE2-CZ 3.3Å; F217-V219 HydrophobicContact CB-CG2 3.94Å; F217-V230 HydrophobicContact CD1-CG1 3.8Å; F217-V230 HydrophobicContact CD1-CG2 4.48Å; F217-I233 HydrophobicContact CD1-CD1 3.84Å; F217-I233 HydrophobicContact CD1-CG1 3.73Å; F217-I233 HydrophobicContact CE1-CD1 3.58Å; F217-I233 HydrophobicContact CE1-CG1 4Å
218S92.8Very high88.2Confident8 Ų838.4 Ų38.46%0.05621%0.207CC..EExtended strand (participates in β ladder)trans-93.5110166.6-67.70000108.7I231 D232S218-I231 VanDerWaalsContact O-CG1 3.27Å; S218-I231 WeakPolarHBondContact O-CG1 3.49Å; S218-I231 PolarHBondContact O-N 2.7Å; S218-D232 PolarHBondContact N-O 3.32Å
219V93.4Very high89.3Confident3 Ų335 Ų352%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-116.6134-174.4-173.90000110.3Y132 V134 F217 H228 A229 V230Y132-V219 WeakPolarHBondContact CB-O 3.47Å; Y132-V219 PolarHBondContact N-O 2.93Å; Y132-V219 PolarHBondContact O-N 3.21Å; V134-V219 HydrophobicContact CG2-CG2 3.9Å; F217-V219 HydrophobicContact CB-CG2 3.94Å; V219-H228 HydrophobicContact CG1-CB 3.87Å; V219-A229 WeakPolarHBondContact CA-O 3.12Å; V219-V230 HydrophobicContact CG2-CG2 4.29Å
220I93.9Very high90.4Very high4 Ų430.9 Ų30.92%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-122.1148.8173.561172.9000110.1I125 H127 L131 H228 A229 I231I125-I220 HydrophobicContact CB-CD1 3.85Å; I125-I220 HydrophobicContact CG2-CD1 4.18Å; H127-I220 HydrophobicContact CB-CB 3.72Å; H127-I220 HydrophobicContact CB-CD1 4.14Å; H127-I220 HydrophobicContact CB-CG1 4.3Å; H127-I220 HydrophobicContact CB-CG2 4.36Å; L131-I220 HydrophobicContact CD1-CG2 3.81Å; I220-H228 CarbonylContact O-C 3.45Å; I220-H228 WeakPolarHBondContact O-CA 3.16Å; I220-A229 HydrophobicContact CD1-CB 4.45Å; I220-A229 HydrophobicContact CG1-CB 3.87Å; I220-A229 PolarHBondContact N-O 3.5Å; I220-A229 PolarHBondContact O-N 3.23Å; I220-I231 HydrophobicContact CD1-CD1 4.36Å; I220-I231 HydrophobicContact CD1-CG2 3.65Å; I220-I231 HydrophobicContact CG1-CG2 3.81Å; I220-I231 HydrophobicContact CG2-CD1 3.73Å; I220-I231 HydrophobicContact CG2-CG1 4.35Å
221E93Very high91.4Very high55 Ų5531.7 Ų31.726%0.25717%0.169SC..EExtended strand (participates in β ladder)trans-95.3118.2173.8-172179.8170.800109.3H127 N223H127-E221 VanDerWaalsContact CA-O 3.23Å; H127-E221 WeakPolarHBondContact CA-O 3.23Å; H127-E221 WeakPolarHBondContact CB-O 3.45Å; E221-N223 PolarHBondContact O-N 3.43Å
222N92.7Very high91.9Very high21 Ų2129.6 Ų29.611%0.11216%0.155CC..  trans-63117.9175.1-177-29.6000109.4I125 Q224 T225 G226 Q227I125-N222 HydrophobicContact CG2-CB 3.6Å; N222-Q224 PolarHBondContact O-N 2.75Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.24Å; N222-Q224 PolarHBondContact OD1-N 2.99Å; N222-T225 WeakPolarHBondContact CB-OG1 3.1Å; N222-T225 VanDerWaalsContact CG-OG1 3.31Å; N222-T225 PolarHBondContact ND2-OG1 3.47Å; N222-T225 PolarHBondContact O-N 2.7Å; N222-T225 PolarHBondContact OD1-N 3.13Å; N222-G226 VanDerWaalsContact O-CA 3.27Å; N222-G226 WeakPolarHBondContact O-CA 3.36Å; N222-G226 PolarHBondContact O-N 3.19Å; N222-Q227 WeakPolarHBondContact CB-O 3.49Å; N222-Q227 PolarHBondContact N-O 3.02Å
223N91.9Very high92.2Very high62 Ų6229.6 Ų29.633%0.33216%0.155SC..THydrogen-bonded Turntrans-73-11-174.874.3-2.7000114.6N126 N128 N151 E221N126-N223 WeakPolarHBondContact CB-OD1 3.36Å; N126-N223 PolarHBondContact O-N 2.86Å; N126-N223 PolarHBondContact O-OD1 2.75Å; N128-N223 WeakPolarHBondContact ND2-CB 3.44Å; N128-N223 PolarHBondContact OD1-ND2 2.78Å; N151-N223 PolarHBondContact ND2-ND2 2.8Å; E221-N223 PolarHBondContact O-N 3.43Å
224Q90.1Very high92.4Very high146 Ų14628.8 Ų28.868%0.68215%0.154SC*.THydrogen-bonded Turntrans-91.3-39.8175.7-60.9-178.2-1400111.8N222N222-Q224 PolarHBondContact O-N 2.75Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.24Å; N222-Q224 PolarHBondContact OD1-N 2.99Å
225T90.7Very high92.5Very high79 Ų7930 Ų3049%0.48517%0.166SC..THydrogen-bonded Turntrans-107.9-18.3-172.7670000114.1N222 Q227N222-T225 WeakPolarHBondContact CB-OG1 3.1Å; N222-T225 VanDerWaalsContact CG-OG1 3.31Å; N222-T225 PolarHBondContact ND2-OG1 3.47Å; N222-T225 PolarHBondContact O-N 2.7Å; N222-T225 PolarHBondContact OD1-N 3.13Å; T225-Q227 PolarHBondContact O-N 3.44Å; T225-Q227 WeakPolarHBondContact OG1-CB 3.36Å; T225-Q227 WeakPolarHBondContact OG1-CG 3.31Å; T225-Q227 PolarHBondContact OG1-N 3.01Å; T225-Q227 PolarHBondContact OG1-OE1 3.45Å
226G88.6Confident92.6Very high29 Ų2935.4 Ų35.430%0.29919%0.189SC..  trans70.67.6-170.500000114.1N222N222-G226 VanDerWaalsContact O-CA 3.27Å; N222-G226 WeakPolarHBondContact O-CA 3.36Å; N222-G226 PolarHBondContact O-N 3.19Å
227Q90.5Very high92.6Very high63 Ų6336.4 Ų36.429%0.29420%0.195SC..  trans-76.6147.6176.7-68178.4-52.400111.3E57 R58 C60 N222 T225E57-Q227 PolarHBondContact O-NE2 3.02Å; R58-Q227 CarbonylContact O-C 3.6Å; R58-Q227 VanDerWaalsContact O-CA 3.26Å; R58-Q227 WeakPolarHBondContact O-CA 3.49Å; R58-Q227 WeakPolarHBondContact O-CB 3.48Å; C60-Q227 HydrophobicContact CB-CB 4.37Å; N222-Q227 WeakPolarHBondContact CB-O 3.49Å; N222-Q227 PolarHBondContact N-O 3.02Å; T225-Q227 PolarHBondContact O-N 3.44Å; T225-Q227 WeakPolarHBondContact OG1-CB 3.36Å; T225-Q227 WeakPolarHBondContact OG1-CG 3.31Å; T225-Q227 PolarHBondContact OG1-N 3.01Å; T225-Q227 PolarHBondContact OG1-OE1 3.45Å
228H91.1Very high92.7Very high34 Ų3439.8 Ų39.816%0.15723%0.232CC..EExtended strand (participates in β ladder)trans-92.2112.4177.8-59.177.3000109R58 I59 C60 L198 V219 I220R58-H228 PolarHBondContact O-N 3.12Å; I59-H228 WeakPolarHBondContact CA-O 3.44Å; C60-H228 PolarHBondContact N-O 3.34Å; L198-H228 HydrophobicContact CD2-CB 3.67Å; V219-H228 HydrophobicContact CG1-CB 3.87Å; I220-H228 CarbonylContact O-C 3.45Å; I220-H228 WeakPolarHBondContact O-CA 3.16Å
229A92.6Very high92.7Very high0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-96.5125177.600000110.9C60 P62 I125 V219 I220 I231C60-A229 VanDerWaalsContact O-CA 3.32Å; C60-A229 WeakPolarHBondContact O-CA 3.32Å; P62-A229 HydrophobicContact CG-CB 3.99Å; I125-A229 HydrophobicContact CD1-CB 3.7Å; V219-A229 WeakPolarHBondContact CA-O 3.12Å; I220-A229 HydrophobicContact CD1-CB 4.45Å; I220-A229 HydrophobicContact CG1-CB 3.87Å; I220-A229 PolarHBondContact N-O 3.5Å; I220-A229 PolarHBondContact O-N 3.23Å; A229-I231 HydrophobicContact CB-CG2 4.35Å
230V93.2Very high92.5Very high2 Ų244.1 Ų44.11%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-83.5118.6169.1-179.70000108.5V45 C60 F217 V219 I233V45-V230 HydrophobicContact CG1-CB 3.79Å; V45-V230 HydrophobicContact CG1-CG1 4.12Å; V45-V230 HydrophobicContact CG2-CB 4.36Å; V45-V230 HydrophobicContact CG2-CG1 3.76Å; C60-V230 PolarHBondContact O-N 3.49Å; F217-V230 HydrophobicContact CD1-CG1 3.8Å; F217-V230 HydrophobicContact CD1-CG2 4.48Å; V219-V230 HydrophobicContact CG2-CG2 4.29Å; V230-I233 HydrophobicContact CG1-CG1 4.14Å
231I93.9Very high92.3Very high29 Ų2946.5 Ų46.515%0.14928%0.275CS..EExtended strand (participates in β ladder)trans-114.3-13.1-172.559.9161.7000114.7Y42 P62 K91 L131 S218 I220 A229Y42-I231 WeakPolarHBondContact CE1-O 3.49Å; Y42-I231 PolarHBondContact OH-O 3.35Å; Y42-I231 VanDerWaalsContact OH-O 3.08Å; P62-I231 HydrophobicContact CG-CG2 4.06Å; K91-I231 PolarHBondContact NZ-O 3.47Å; L131-I231 HydrophobicContact CD1-CD1 4.18Å; S218-I231 VanDerWaalsContact O-CG1 3.27Å; S218-I231 WeakPolarHBondContact O-CG1 3.49Å; S218-I231 PolarHBondContact O-N 2.7Å; I220-I231 HydrophobicContact CD1-CD1 4.36Å; I220-I231 HydrophobicContact CD1-CG2 3.65Å; I220-I231 HydrophobicContact CG1-CG2 3.81Å; I220-I231 HydrophobicContact CG2-CD1 3.73Å; I220-I231 HydrophobicContact CG2-CG1 4.35Å; A229-I231 HydrophobicContact CB-CG2 4.35Å
232D93.3Very high92.2Very high20 Ų2044.5 Ų44.511%0.10727%0.267CS..EExtended strand (participates in β ladder)trans-159.4152.7173.5-152.322.9000109.8R38 S218 N234R38-D232 IonicContact NE-OD1 3.76Å; S218-D232 PolarHBondContact N-O 3.32Å; D232-N234 PolarHBondContact OD2-ND2 2.78Å; D232-N234 PolarHBondContact OD2-OD1 3.04Å
233I93.3Very high92.1Very high1 Ų148.8 Ų48.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-134131.7170.4-53.4178.8000107.8L35 V45 D215 C216 F217 V230L35-I233 HydrophobicContact CD1-CG2 3.77Å; L35-I233 HydrophobicContact CD2-CB 4.06Å; L35-I233 HydrophobicContact CD2-CG2 3.76Å; L35-I233 HydrophobicContact CG-CG2 4.44Å; V45-I233 HydrophobicContact CG2-CD1 3.41Å; V45-I233 VanDerWaalsContact CG2-CD1 3.41Å; V45-I233 HydrophobicContact CG2-CG1 4.03Å; D215-I233 HydrophobicContact CB-CG2 4.48Å; C216-I233 WeakPolarHBondContact O-CA 3.39Å; F217-I233 HydrophobicContact CD1-CD1 3.84Å; F217-I233 HydrophobicContact CD1-CG1 3.73Å; F217-I233 HydrophobicContact CE1-CD1 3.58Å; F217-I233 HydrophobicContact CE1-CG1 4Å; V230-I233 HydrophobicContact CG1-CG1 4.14Å
234N93.5Very high92.1Very high38 Ų3850.4 Ų50.420%0.20330%0.301CS..EExtended strand (participates in β ladder)trans-124.8125.8-175.4-53.876.4000109.8D215 C216 D232D215-N234 CarbonylContact C-O 3.54Å; D215-N234 WeakPolarHBondContact CA-O 3.25Å; D215-N234 WeakPolarHBondContact CB-O 3.45Å; C216-N234 PolarHBondContact N-O 3.45Å; C216-N234 PolarHBondContact O-N 3.41Å; D232-N234 PolarHBondContact OD2-ND2 2.78Å; D232-N234 PolarHBondContact OD2-OD1 3.04Å
235A94.8Very high92.4Very high31 Ų3144.7 Ų44.726%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-70.6138.5170.300000110.4I32 L35I32-A235 HydrophobicContact CD1-CB 3.67Å; L35-A235 HydrophobicContact CB-CB 4.31Å; L35-A235 HydrophobicContact CD1-CB 3.86Å
236F95.9Very high92.7Very high114 Ų11448.3 Ų48.350%0.528%0.284SS..SBendtrans3669.5177.8-152.4-58000112.5L214 Y239 F245L214-F236 HydrophobicContact CB-CD2 3.96Å; L214-F236 HydrophobicContact CB-CG 4.44Å; L214-F236 HydrophobicContact CD1-CD2 3.51Å; L214-F236 HydrophobicContact CD1-CE2 3.35Å; L214-F236 HydrophobicContact CD1-CZ 4.34Å; L214-F236 HydrophobicContact CG-CD2 4.38Å; L214-F236 WeakPolarHBondContact O-CA 3.36Å; L214-F236 PolarHBondContact O-N 2.89Å; F236-Y239 HydrophobicContact CD1-CE2 4.06Å; F236-Y239 HydrophobicContact CE1-CE2 4.19Å; F236-F245 HydrophobicContact CE1-CZ 4.31Å; F236-F245 HydrophobicContact CZ-CZ 4.18Å
237P94.4Very high93.1Very high22 Ų2251.3 Ų51.314%0.14329%0.293CS..  trans-70-177.8-179.836.2-43.5000111.4F135 C216 Y239F135-P237 HydrophobicContact CD1-CB 4.21Å; F135-P237 HydrophobicContact CD1-CG 3.64Å; F135-P237 HydrophobicContact CE1-CB 3.93Å; F135-P237 HydrophobicContact CE1-CG 3.88Å; C216-P237 HydrophobicContact CB-CB 3.85Å; C216-P237 HydrophobicContact CB-CG 3.53Å; P237-Y239 VanDerWaalsContact C-N 3.3Å; P237-Y239 HydrophobicContact CG-CD1 4.37Å; P237-Y239 HydrophobicContact CG-CD2 4.05Å; P237-Y239 HydrophobicContact CG-CE1 4.04Å; P237-Y239 HydrophobicContact CG-CE2 3.71Å; P237-Y239 HydrophobicContact CG-CG 4.37Å; P237-Y239 WeakPolarHBondContact O-CD2 3.37Å; P237-Y239 WeakPolarHBondContact O-CE2 3.5Å; P237-Y239 PolarHBondContact O-N 3.17Å
238G93.1Very high93.3Very high75 Ų7549.5 Ų49.577%0.77329%0.285SS*.  trans-76.8-4.7179.800000116.2E240G238-E240 PolarHBondContact O-N 3.33Å
239Y93.3Very high93.6Very high12 Ų1249.4 Ų49.45%0.04729%0.286CS..  trans4823.5180-64.2-83000116.4F135 V136 V137 L214 D215 F236 P237 G241 V242 F245F135-Y239 HydrophobicContact CB-CD1 3.78Å; F135-Y239 HydrophobicContact CB-CE1 3.94Å; F135-Y239 AromaticContact CD1-CD1 3.78Å; F135-Y239 HydrophobicContact CD1-CD1 3.78Å; F135-Y239 HydrophobicContact CD1-CE1 4.17Å; F135-Y239 HydrophobicContact CD1-CG 4.31Å; F135-Y239 HydrophobicContact CG-CD1 4.04Å; F135-Y239 HydrophobicContact CG-CE1 4.5Å; V136-Y239 WeakPolarHBondContact O-CE1 3.33Å; V136-Y239 PolarHBondContact O-OH 3.32Å; V137-Y239 HydrophobicContact CG2-CD1 4.01Å; V137-Y239 HydrophobicContact CG2-CE1 3.42Å; V137-Y239 VanDerWaalsContact CG2-CE1 3.42Å; L214-Y239 VanDerWaalsContact C-OH 3.28Å; L214-Y239 WeakPolarHBondContact CA-OH 3.46Å; L214-Y239 WeakPolarHBondContact CB-OH 3.39Å; D215-Y239 PolarHBondContact N-OH 3.03Å; F236-Y239 HydrophobicContact CD1-CE2 4.06Å; F236-Y239 HydrophobicContact CE1-CE2 4.19Å; P237-Y239 VanDerWaalsContact C-N 3.3Å; P237-Y239 HydrophobicContact CG-CD1 4.37Å; P237-Y239 HydrophobicContact CG-CD2 4.05Å; P237-Y239 HydrophobicContact CG-CE1 4.04Å; P237-Y239 HydrophobicContact CG-CE2 3.71Å; P237-Y239 HydrophobicContact CG-CG 4.37Å; P237-Y239 WeakPolarHBondContact O-CD2 3.37Å; P237-Y239 WeakPolarHBondContact O-CE2 3.5Å; P237-Y239 PolarHBondContact O-N 3.17Å; Y239-G241 PolarHBondContact O-N 3.29Å; Y239-V242 HydrophobicContact CD1-CG2 4.43Å; Y239-V242 VanDerWaalsContact O-CB 3.3Å; Y239-V242 WeakPolarHBondContact O-CB 3.32Å; Y239-V242 WeakPolarHBondContact O-CG2 3.45Å; Y239-V242 PolarHBondContact O-N 2.85Å; Y239-F245 AromaticContact CD1-CD2 3.6Å; Y239-F245 HydrophobicContact CD1-CD2 3.6Å; Y239-F245 AromaticContact CD1-CE2 3.93Å; Y239-F245 HydrophobicContact CD1-CE2 3.93Å; Y239-F245 AromaticContact CD2-CD2 3.7Å; Y239-F245 HydrophobicContact CD2-CD2 3.7Å; Y239-F245 AromaticContact CD2-CE2 3.32Å; Y239-F245 HydrophobicContact CD2-CE2 3.32Å; Y239-F245 AromaticContact CD2-CZ 3.9Å; Y239-F245 HydrophobicContact CD2-CZ 3.9Å; Y239-F245 HydrophobicContact CE1-CD2 4.06Å; Y239-F245 HydrophobicContact CE1-CE2 4.06Å; Y239-F245 HydrophobicContact CE2-CD2 4.15Å; Y239-F245 AromaticContact CE2-CE2 3.46Å; Y239-F245 HydrophobicContact CE2-CE2 3.46Å; Y239-F245 VanDerWaalsContact CE2-CE2 3.46Å; Y239-F245 HydrophobicContact CE2-CZ 4.13Å; Y239-F245 AromaticContact CG-CD2 3.4Å; Y239-F245 HydrophobicContact CG-CD2 3.4Å; Y239-F245 VanDerWaalsContact CG-CD2 3.4Å; Y239-F245 AromaticContact CG-CE2 3.57Å; Y239-F245 HydrophobicContact CG-CE2 3.57Å; Y239-F245 HydrophobicContact CG-CG 4.16Å; Y239-F245 HydrophobicContact CG-CZ 4.42Å; Y239-F245 AromaticContact CZ-CE2 3.82Å
240E89.7Confident93.8Very high90 Ų9054.5 Ų54.542%0.42131%0.312SS..THydrogen-bonded Turntrans-66.5125.7-179.6173.7-169.5-13600110.5R146 P172 G238R146-E240 IonicContact CZ-OE2 3.37Å; R146-E240 IonicContact NH1-OE2 2.95Å; R146-E240 PolarHBondContact NH1-OE2 2.9Å; R146-E240 PolarHBondContact NH2-O 3.19Å; R146-E240 IonicContact NH2-OE2 2.95Å; R146-E240 PolarHBondContact NH2-OE2 3.24Å; P172-E240 WeakPolarHBondContact CD-OE2 3.07Å; P172-E240 HydrophobicContact CG-CG 4.08Å; P172-E240 WeakPolarHBondContact CG-OE1 3.48Å; P172-E240 WeakPolarHBondContact CG-OE2 3.37Å; G238-E240 PolarHBondContact O-N 3.33Å
241G88.1Confident93.9Very high53 Ų5357.8 Ų57.855%0.54634%0.336SS..THydrogen-bonded Turntrans90.47.4-171.600000114.4Y239 P243Y239-G241 PolarHBondContact O-N 3.29Å; G241-P243 VanDerWaalsContact O-CD 3.32Å; G241-P243 WeakPolarHBondContact O-CD 3.25Å
242V91.8Very high93.9Very high13 Ų1356.8 Ų56.88%0.07933%0.33CS..  trans-109.589.8175.3-172.20000109.6F135 T142 V144 Y239 E244 F245F135-V242 HydrophobicContact CB-CG2 3.77Å; F135-V242 HydrophobicContact CD2-CG2 3.41Å; F135-V242 VanDerWaalsContact CD2-CG2 3.41Å; F135-V242 HydrophobicContact CE2-CG2 4.1Å; F135-V242 HydrophobicContact CG-CG2 3.68Å; T142-V242 HydrophobicContact CG2-CG1 4.26Å; T142-V242 HydrophobicContact CG2-CG2 4.05Å; V144-V242 HydrophobicContact CG2-CG2 4.3Å; Y239-V242 HydrophobicContact CD1-CG2 4.43Å; Y239-V242 VanDerWaalsContact O-CB 3.3Å; Y239-V242 WeakPolarHBondContact O-CB 3.32Å; Y239-V242 WeakPolarHBondContact O-CG2 3.45Å; Y239-V242 PolarHBondContact O-N 2.85Å; V242-E244 VanDerWaalsContact C-N 3.27Å; V242-E244 PolarHBondContact O-N 3.08Å; V242-F245 HydrophobicContact CB-CB 4.41Å; V242-F245 HydrophobicContact CG1-CB 4.15Å; V242-F245 WeakPolarHBondContact O-CB 3.15Å; V242-F245 PolarHBondContact O-N 3.34Å
243P89.9Confident94Very high111 Ų11159 Ų5972%0.72134%0.341SS*.THydrogen-bonded Turntrans-64.6-31.1-176.124.8-33.4000113G241 F245G241-P243 VanDerWaalsContact O-CD 3.32Å; G241-P243 WeakPolarHBondContact O-CD 3.25Å; P243-F245 VanDerWaalsContact C-N 3.3Å; P243-F245 PolarHBondContact O-N 3.5Å
244E92.9Very high94Very high96 Ų9661.1 Ų61.145%0.44936%0.356SS..THydrogen-bonded Turntrans-86.46.7-176.8-61.2-5513000114V242 F246 N247 D248V242-E244 VanDerWaalsContact C-N 3.27Å; V242-E244 PolarHBondContact O-N 3.08Å; E244-F246 VanDerWaalsContact C-N 3.3Å; E244-F246 PolarHBondContact O-N 3.28Å; E244-F246 VanDerWaalsContact O-N 3.13Å; E244-N247 WeakPolarHBondContact O-CB 3.28Å; E244-N247 PolarHBondContact O-N 3.49Å; E244-N247 PolarHBondContact OE2-ND2 3.04Å; E244-D248 PolarHBondContact O-N 3.33Å
245F95.4Very high94Very high26 Ų2661.7 Ų61.711%0.11436%0.363CS..Hα-helixtrans-49.4-47-173.1170.1-107.6000113.5V137 F236 Y239 V242 P243 L249V137-F245 HydrophobicContact CG2-CD2 3.81Å; V137-F245 HydrophobicContact CG2-CE2 4.08Å; F236-F245 HydrophobicContact CE1-CZ 4.31Å; F236-F245 HydrophobicContact CZ-CZ 4.18Å; Y239-F245 AromaticContact CD1-CD2 3.6Å; Y239-F245 HydrophobicContact CD1-CD2 3.6Å; Y239-F245 AromaticContact CD1-CE2 3.93Å; Y239-F245 HydrophobicContact CD1-CE2 3.93Å; Y239-F245 AromaticContact CD2-CD2 3.7Å; Y239-F245 HydrophobicContact CD2-CD2 3.7Å; Y239-F245 AromaticContact CD2-CE2 3.32Å; Y239-F245 HydrophobicContact CD2-CE2 3.32Å; Y239-F245 AromaticContact CD2-CZ 3.9Å; Y239-F245 HydrophobicContact CD2-CZ 3.9Å; Y239-F245 HydrophobicContact CE1-CD2 4.06Å; Y239-F245 HydrophobicContact CE1-CE2 4.06Å; Y239-F245 HydrophobicContact CE2-CD2 4.15Å; Y239-F245 AromaticContact CE2-CE2 3.46Å; Y239-F245 HydrophobicContact CE2-CE2 3.46Å; Y239-F245 VanDerWaalsContact CE2-CE2 3.46Å; Y239-F245 HydrophobicContact CE2-CZ 4.13Å; Y239-F245 AromaticContact CG-CD2 3.4Å; Y239-F245 HydrophobicContact CG-CD2 3.4Å; Y239-F245 VanDerWaalsContact CG-CD2 3.4Å; Y239-F245 AromaticContact CG-CE2 3.57Å; Y239-F245 HydrophobicContact CG-CE2 3.57Å; Y239-F245 HydrophobicContact CG-CG 4.16Å; Y239-F245 HydrophobicContact CG-CZ 4.42Å; Y239-F245 AromaticContact CZ-CE2 3.82Å; V242-F245 HydrophobicContact CB-CB 4.41Å; V242-F245 HydrophobicContact CG1-CB 4.15Å; V242-F245 WeakPolarHBondContact O-CB 3.15Å; V242-F245 PolarHBondContact O-N 3.34Å; P243-F245 VanDerWaalsContact C-N 3.3Å; P243-F245 PolarHBondContact O-N 3.5Å; F245-L249 HydrophobicContact CE1-CD2 4.24Å; F245-L249 HydrophobicContact CZ-CD2 4Å; F245-L249 VanDerWaalsContact O-CB 3.24Å; F245-L249 WeakPolarHBondContact O-CB 3.42Å; F245-L249 PolarHBondContact O-N 3.48Å
246F97.3Very high93.8Very high156 Ų15661 Ų6168%0.68436%0.356SS*.Hα-helixtrans-68.8-35.6-179.3-65.6-55.8000113E244 L250E244-F246 VanDerWaalsContact C-N 3.3Å; E244-F246 PolarHBondContact O-N 3.28Å; E244-F246 VanDerWaalsContact O-N 3.13Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 PolarHBondContact O-N 2.82Å
247N96.7Very high93.7Very high91 Ų9160.3 Ų60.349%0.48736%0.357SS..Hα-helixtrans-69.3-44.2177.5-69.4-24.5000110.6E244 L250 S251E244-N247 WeakPolarHBondContact O-CB 3.28Å; E244-N247 PolarHBondContact O-N 3.49Å; E244-N247 PolarHBondContact OE2-ND2 3.04Å; N247-L250 PolarHBondContact O-N 3.31Å; N247-S251 WeakPolarHBondContact O-CB 3.45Å; N247-S251 PolarHBondContact O-N 2.89Å; N247-S251 PolarHBondContact O-OG 2.95Å
248D94.6Very high93.5Very high25 Ų2564 Ų6413%0.13437%0.372CS..Hα-helixtrans-63-43175.4-73.5-33.7000111.2V137 S140 E244 S251 H252V137-D248 HydrophobicContact CB-CB 3.82Å; V137-D248 HydrophobicContact CG1-CB 3.7Å; V137-D248 HydrophobicContact CG2-CB 4.39Å; S140-D248 VanDerWaalsContact CB-CG 3.41Å; S140-D248 VanDerWaalsContact CB-OD1 3.23Å; S140-D248 WeakPolarHBondContact CB-OD1 3.32Å; S140-D248 PolarHBondContact OG-OD1 2.98Å; E244-D248 PolarHBondContact O-N 3.33Å; D248-S251 PolarHBondContact O-N 3.47Å; D248-H252 WeakPolarHBondContact O-CB 3.34Å; D248-H252 PolarHBondContact O-N 3.13Å
249L96.9Very high93.1Very high33 Ų3364.5 Ų64.517%0.17336%0.364CS..Hα-helixtrans-64.1-45.5179179.162.2000111.3V137 L214 F245 S251 H252 I253V137-L249 HydrophobicContact CG1-CB 4.05Å; V137-L249 HydrophobicContact CG1-CD1 4.49Å; L214-L249 HydrophobicContact CD1-CD1 4.12Å; L214-L249 HydrophobicContact CD2-CD1 3.97Å; F245-L249 HydrophobicContact CE1-CD2 4.24Å; F245-L249 HydrophobicContact CZ-CD2 4Å; F245-L249 VanDerWaalsContact O-CB 3.24Å; F245-L249 WeakPolarHBondContact O-CB 3.42Å; F245-L249 PolarHBondContact O-N 3.48Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 2.88Å; L249-H252 PolarHBondContact O-N 3.41Å; L249-I253 HydrophobicContact CD1-CD1 4.15Å; L249-I253 HydrophobicContact CD1-CG1 4.37Å; L249-I253 HydrophobicContact CG-CD1 3.96Å; L249-I253 VanDerWaalsContact O-CG1 3.28Å; L249-I253 WeakPolarHBondContact O-CG1 3.48Å; L249-I253 PolarHBondContact O-N 3.15Å
250L96.9Very high92.3Very high107 Ų10768.7 Ų68.756%0.5638%0.384SS*.Hα-helixtrans-62.7-41.3176.6-179.661.8000111.6F246 N247 H252 I253 S254F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 PolarHBondContact O-N 2.82Å; N247-L250 PolarHBondContact O-N 3.31Å; L250-H252 VanDerWaalsContact C-N 3.33Å; L250-I253 PolarHBondContact O-N 3.25Å; L250-S254 WeakPolarHBondContact O-CB 3.31Å; L250-S254 PolarHBondContact O-N 3.33Å; L250-S254 PolarHBondContact O-OG 3.28Å
251S95.5Very high91.3Very high71 Ų7168.7 Ų68.750%0.49739%0.387SS..Hα-helixtrans-62.8-42.6176.6-59.90000111N247 D248 L249 S254 S255N247-S251 WeakPolarHBondContact O-CB 3.45Å; N247-S251 PolarHBondContact O-N 2.89Å; N247-S251 PolarHBondContact O-OG 2.95Å; D248-S251 PolarHBondContact O-N 3.47Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 2.88Å; S251-S254 PolarHBondContact O-N 3.31Å; S251-S255 WeakPolarHBondContact O-CB 3.43Å; S251-S255 PolarHBondContact O-N 2.71Å
252H94.2Very high90Very high8 Ų871.1 Ų71.14%0.03739%0.393CS..Hα-helixtrans-65.2-47.4176.7-177.751.5000112.1G138 Y213 D248 L249 L250 S254 S255 V256G138-H252 VanDerWaalsContact CA-ND1 3.32Å; G138-H252 WeakPolarHBondContact CA-ND1 3.26Å; Y213-H252 WeakPolarHBondContact CB-NE2 2.84Å; Y213-H252 AromaticContact CD1-CE1 3.45Å; Y213-H252 VanDerWaalsContact CD1-CE1 3.45Å; Y213-H252 WeakPolarHBondContact CD1-CE1 3.48Å; Y213-H252 AromaticContact CD1-NE2 3.61Å; Y213-H252 AromaticContact CD2-NE2 3.81Å; Y213-H252 AromaticContact CE1-CE1 3.99Å; Y213-H252 AromaticContact CG-CE1 3.64Å; Y213-H252 AromaticContact CG-NE2 3.27Å; Y213-H252 VanDerWaalsContact CG-NE2 3.27Å; D248-H252 WeakPolarHBondContact O-CB 3.34Å; D248-H252 PolarHBondContact O-N 3.13Å; L249-H252 PolarHBondContact O-N 3.41Å; L250-H252 VanDerWaalsContact C-N 3.33Å; H252-S254 VanDerWaalsContact C-N 3.26Å; H252-S254 PolarHBondContact O-N 3.13Å; H252-S255 WeakPolarHBondContact O-CB 3.23Å; H252-S255 PolarHBondContact O-N 2.97Å; H252-S255 VanDerWaalsContact O-N 3.17Å; H252-V256 WeakPolarHBondContact CE1-CG2 3.38Å; H252-V256 WeakPolarHBondContact O-CG2 3.37Å; H252-V256 PolarHBondContact O-N 2.98Å
253I95.1Very high88.3Confident65 Ų6577.8 Ų77.833%0.33343%0.428SS..Hα-helixtrans-55.8-45174.9-69.6165.9000110.4L26 L249 L250 V256 L257L26-I253 HydrophobicContact CD1-CG1 4.13Å; L249-I253 HydrophobicContact CD1-CD1 4.15Å; L249-I253 HydrophobicContact CD1-CG1 4.37Å; L249-I253 HydrophobicContact CG-CD1 3.96Å; L249-I253 VanDerWaalsContact O-CG1 3.28Å; L249-I253 WeakPolarHBondContact O-CG1 3.48Å; L249-I253 PolarHBondContact O-N 3.15Å; L250-I253 PolarHBondContact O-N 3.25Å; I253-V256 PolarHBondContact O-N 3.31Å; I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 WeakPolarHBondContact O-CB 3.3Å; I253-L257 VanDerWaalsContact O-CG 3.31Å; I253-L257 WeakPolarHBondContact O-CG 3.33Å; I253-L257 PolarHBondContact O-N 3.01Å
254S94.9Very high86.5Confident46 Ų4678.2 Ų78.232%0.32242%0.424SS..Hα-helixtrans-62.1-44.4178.5-57.70000112L250 S251 H252 L257 Q258L250-S254 WeakPolarHBondContact O-CB 3.31Å; L250-S254 PolarHBondContact O-N 3.33Å; L250-S254 PolarHBondContact O-OG 3.28Å; S251-S254 PolarHBondContact O-N 3.31Å; H252-S254 VanDerWaalsContact C-N 3.26Å; H252-S254 PolarHBondContact O-N 3.13Å; S254-L257 PolarHBondContact O-N 3.49Å; S254-Q258 WeakPolarHBondContact O-CB 3.47Å; S254-Q258 VanDerWaalsContact O-CG 3.25Å; S254-Q258 WeakPolarHBondContact O-CG 3.25Å; S254-Q258 PolarHBondContact O-N 2.96Å
255S92.3Very high84.2Confident50 Ų5079.4 Ų79.435%0.3544%0.437SS..Hα-helixtrans-60.1-46.8177.2178.40000111.9S251 H252 L257 Q258 S259S251-S255 WeakPolarHBondContact O-CB 3.43Å; S251-S255 PolarHBondContact O-N 2.71Å; H252-S255 WeakPolarHBondContact O-CB 3.23Å; H252-S255 PolarHBondContact O-N 2.97Å; H252-S255 VanDerWaalsContact O-N 3.17Å; S255-L257 PolarHBondContact O-N 3.32Å; S255-Q258 PolarHBondContact O-N 2.95Å; S255-S259 PolarHBondContact O-N 3.4Å
256V91.4Very high81.9Confident18 Ų1882.8 Ų82.811%0.10946%0.462CS..Hα-helixtrans-67.4-39.8-178.9-179.20000111.3I24 H252 I253 S259 Q260I24-V256 HydrophobicContact CD1-CG1 3.73Å; I24-V256 HydrophobicContact CG2-CG1 3.53Å; H252-V256 WeakPolarHBondContact CE1-CG2 3.38Å; H252-V256 WeakPolarHBondContact O-CG2 3.37Å; H252-V256 PolarHBondContact O-N 2.98Å; I253-V256 PolarHBondContact O-N 3.31Å; V256-S259 PolarHBondContact O-N 3.43Å; V256-S259 PolarHBondContact O-OG 3.26Å; V256-Q260 PolarHBondContact O-N 2.92Å
257L92.3Very high79.3Confident98 Ų9879.1 Ų79.151%0.51347%0.468SS..Hα-helixtrans-63.4-41.4174.1-72.6170.5000112.7I24 I253 S254 S255 S259 Q260 N261I24-L257 HydrophobicContact CD1-CD2 3.91Å; I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 WeakPolarHBondContact O-CB 3.3Å; I253-L257 VanDerWaalsContact O-CG 3.31Å; I253-L257 WeakPolarHBondContact O-CG 3.33Å; I253-L257 PolarHBondContact O-N 3.01Å; S254-L257 PolarHBondContact O-N 3.49Å; S255-L257 PolarHBondContact O-N 3.32Å; L257-S259 VanDerWaalsContact C-N 3.33Å; L257-Q260 PolarHBondContact O-N 3.37Å; L257-N261 PolarHBondContact O-N 2.84Å
258Q90.7Very high76.4Confident99 Ų9978.1 Ų78.146%0.46348%0.479SS..Hα-helixtrans-64.4-38.7176-73.7169.413.200111.6S254 S255 Q260 N261S254-Q258 WeakPolarHBondContact O-CB 3.47Å; S254-Q258 VanDerWaalsContact O-CG 3.25Å; S254-Q258 WeakPolarHBondContact O-CG 3.25Å; S254-Q258 PolarHBondContact O-N 2.96Å; S255-Q258 PolarHBondContact O-N 2.95Å; Q258-Q260 VanDerWaalsContact C-N 3.26Å; Q258-Q260 PolarHBondContact O-N 2.92Å; Q258-N261 CarbonylContact O-C 3.1Å; Q258-N261 PolarHBondContact O-N 2.77Å; Q258-N261 VanDerWaalsContact O-N 3.15Å
259S84.2Confident74Confident86 Ų8684.8 Ų84.860%0.60152%0.515SS*.Hα-helixtrans-64.1-29.2177.476.70000113.6S255 V256 L257S255-S259 PolarHBondContact O-N 3.4Å; V256-S259 PolarHBondContact O-N 3.43Å; V256-S259 PolarHBondContact O-OG 3.26Å; L257-S259 VanDerWaalsContact C-N 3.33Å
260Q78Confident71Confident101 Ų10191.6 Ų91.647%0.47255%0.546SS..Hα-helixtrans-80.8-22.4174.9-75.8-156.1-10.800113.5I24 V256 L257 Q258I24-Q260 HydrophobicContact CD1-CG 3.87Å; V256-Q260 PolarHBondContact O-N 2.92Å; L257-Q260 PolarHBondContact O-N 3.37Å; Q258-Q260 VanDerWaalsContact C-N 3.26Å; Q258-Q260 PolarHBondContact O-N 2.92Å
261N69.1Low68.2Low90 Ų9092.5 Ų92.548%0.48156%0.558SS.*  trans-129.878.1178.2-88.7-53.9000110.6L257 Q258 D263 L264L257-N261 PolarHBondContact O-N 2.84Å; Q258-N261 CarbonylContact O-C 3.1Å; Q258-N261 PolarHBondContact O-N 2.77Å; Q258-N261 VanDerWaalsContact O-N 3.15Å; N261-D263 PolarHBondContact O-N 2.94Å; N261-L264 HydrophobicContact CB-CD1 3.91Å; N261-L264 HydrophobicContact CB-CG 4.31Å; N261-L264 PolarHBondContact O-N 2.75Å; N261-L264 VanDerWaalsContact O-N 3.11Å
262P59.1Low65.3Low104 Ų10499 Ų9968%0.67558%0.577SS**THydrogen-bonded Turntrans-61.5-12.8-179.423.6-32.8000114
263D57.4Low62.3Low152 Ų152102.1 Ų102.181%0.81361%0.611SS**THydrogen-bonded Turntrans-84.9-4.9178.3-67.2-33.1000114.3N261 V265N261-D263 PolarHBondContact O-N 2.94Å; D263-V265 PolarHBondContact O-N 3.24Å
264L51.3Low59.4Low121 Ų121107.3 Ų107.363%0.63464%0.639SS**  trans-94.970174.8-72.1170.8000111N261N261-L264 HydrophobicContact CB-CD1 3.91Å; N261-L264 HydrophobicContact CB-CG 4.31Å; N261-L264 PolarHBondContact O-N 2.75Å; N261-L264 VanDerWaalsContact O-N 3.11Å
265V44.5Very low56.3Low121 Ų121110 Ų11073%0.73366%0.664SS**  trans-70.5125.5164.5-176.40000108.1D263 G267D263-V265 PolarHBondContact O-N 3.24Å; V265-G267 PolarHBondContact O-N 3.4Å; V265-G267 VanDerWaalsContact O-N 3.11Å
266P47.4Very low53.4Low97 Ų97113.9 Ų113.963%0.6369%0.685SS**  trans-62.7118.1171.8-14.928000108.5G268P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 2.76Å
267G42.8Very low50.5Low79 Ų79118.5 Ų118.581%0.81472%0.718SS**  trans-61.196.5171.400000109.5V265 D269V265-G267 PolarHBondContact O-N 3.4Å; V265-G267 VanDerWaalsContact O-N 3.11Å; G267-D269 PolarHBondContact O-N 3.11Å; G267-D269 VanDerWaalsContact O-N 3.15Å
268G36.8Very low47.4Very low69 Ų69117.7 Ų117.771%0.71173%0.733SS**  trans-68.6105.1167.500000108.8P266 Q270P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 2.76Å; G268-Q270 PolarHBondContact O-N 2.99Å
269D42.5Very low44.4Very low166 Ų166117.2 Ų117.289%0.88876%0.755SS**  trans-59.2103.2162.1-91.2-27.2000108.5G267G267-D269 PolarHBondContact O-N 3.11Å; G267-D269 VanDerWaalsContact O-N 3.15Å
270Q34.4Very low41.6Very low176 Ų176117.2 Ų117.282%0.82277%0.769SS**  trans-91.7130.5156.5-77.2-159.510.300109G268 K272G268-Q270 PolarHBondContact O-N 2.99Å; Q270-K272 PolarHBondContact O-N 3.35Å
271P38.3Very low39.2Very low126 Ų126116.2 Ų116.282%0.81879%0.785SS**  trans-68.7120.8172.321.4-20.6000109.5G273P271-G273 PolarHBondContact O-N 3.11Å
272K34.3Very low37.4Very low208 Ų208117.2 Ų117.290%0.90481%0.806SS**  trans-56.9102.3171.4-81.1177.6173.6174.40110.3Q270Q270-K272 PolarHBondContact O-N 3.35Å
273G31Very low36Very low73 Ų73115.8 Ų115.875%0.75381%0.811SS**  trans-78.6120.7159.700000109.9P271P271-G273 PolarHBondContact O-N 3.11Å
274L33.9Very low35.3Very low173 Ų173114.6 Ų114.691%0.90681%0.811SS**  trans-59.1133.9168.1-86.885.3000110.3
275A31.3Very low34.3Very low102 Ų102118.5 Ų118.584%0.84383%0.826SS**  trans-144.4138.1153.900000110.6
276V30.9Very low33.8Very low132 Ų132117.2 Ų117.280%0.883%0.828SS**  trans-82.6153.5-164.4164.90000112.3
277S30.7Very low33.6Very low116 Ų116118.2 Ų118.281%0.81184%0.835SS**  trans-47.7145.8175.752.40000117.6
278G27.9Very low32.7Very low80 Ų80120.3 Ų120.383%0.82584%0.835SS**  trans-163.2123.615800000109.4
279G26.3Very low32.2Very low90 Ų90122.1 Ų122.193%0.92884%0.836SS**  trans-100.5-178.4-160.600000117.1
280G26.8Very low31.3Very low86 Ų86119.7 Ų119.789%0.88783%0.83SS**  trans128.2111.815200000117.3
281G27.7Very low31Very low79 Ų79117.2 Ų117.281%0.81483%0.831SS**  trans111.7104.1130.600000120.5
282A30.9Very low30.3Very low112 Ų112116.8 Ų116.893%0.92683%0.831SS**  trans41122.4140.500000120.3
283G29.7Very low30.1Very low74 Ų74112.7 Ų112.776%0.76383%0.829SS**  150.1169.268.700000110.1
284P41.7Very low30.1Very low126 Ų126115.3 Ų115.382%0.81883%0.83SS**  trans-114.3151.5-134.537.9-29.6000115.9
285Q30.8Very low29.9Very low204 Ų204118.8 Ų118.895%0.95383%0.831SS**  trans-150.7139.6149.5-70.1-165.5-6.400111.4
286A33.5Very low29.7Very low93 Ų93117.2 Ų117.277%0.76982%0.824SS**  trans-118.5-172.117900000109
287P43.5Very low29.6Very low119 Ų119120.5 Ų120.577%0.77383%0.828SS**  cis-129.9170.2-45.229.6-11.4000112.4
288C24.5Very low29.6Very low123 Ų123124.5 Ų124.583%0.83183%0.834SS**  trans-163.5123.7139.3-124.60000115
289C25.3Very low29.7Very low107 Ų107128.8 Ų128.872%0.72384%0.837SS**  trans24.3120.9147.7-77.60000120.8
290C24.6Very low29.9Very low114 Ų114133 Ų13377%0.7783%0.832SS**  67121.889.3-59.10000112
291C27.1Very low30Very low125 Ų125140.9 Ų140.985%0.84584%0.835SS**  -156.4146.760.1-72.60000113.2
292S24.8Very low30.1Very low116 Ų116145.2 Ų145.281%0.81184%0.839SS**  trans-67.5147.4162.137.10000112.1
293S29.6Very low29.9Very low123 Ų123143.3 Ų143.386%0.8683%0.83SS**  trans-151.5124.3139.6-1640000111.5
294V29.9Very low29.8Very low127 Ų127145.8 Ų145.877%0.7783%0.834SS**  trans-76.2137.1173.1178.60000108.7
295R29.9Very low29.3Very low247 Ų247147.5 Ų147.593%0.93284%0.837SS**  trans-163.9104.9141.5-111171.2-168.5-144.51.1110.5
296G27.1Very low29.6Very low68 Ų68143.8 Ų143.870%0.70183%0.833SS**  trans-76147.2164.400000111.1
297K29.9Very low29.5Very low202 Ų202143.7 Ų143.788%0.87883%0.832SS**  trans-143114.3150.4-87-172.3173.9-179.50107.7
298E29.3Very low29.1Very low199 Ų199144.7 Ų144.793%0.9384%0.836SS**  trans-53133.4162.5-90.4173.6127.200110.3
299L31.1Very low29.4Very low171 Ų171143 Ų14390%0.89583%0.826SS**  trans-130.8125160.4-105.2150.7000108.1
300Q30.2Very low29.8Very low178 Ų178143.5 Ų143.583%0.83283%0.828SS**  trans-61.5136.7-170.2-75.4161.5-26.800112.2L302Q300-L302 PolarHBondContact O-N 2.86Å
301R29.1Very low30.4Very low252 Ų252145.3 Ų145.395%0.95183%0.829SS**  trans-60.4122.6164.7-80.1178.3169.1179.2-3.9109.9
302L30.2Very low30.8Very low170 Ų170148.9 Ų148.989%0.8983%0.831SS**  trans-112.4125.1161.9-84.4156.4000108.2Q300Q300-L302 PolarHBondContact O-N 2.86Å
303G26.5Very low31.3Very low72 Ų72152 Ų15274%0.74283%0.833SS**  trans-74.6152.9-17000000114.4N305G303-N305 PolarHBondContact O-N 3.15Å
304C27.2Very low31.5Very low125 Ų125154.5 Ų154.585%0.84583%0.831SS**  trans-67.1119173.9-57.90000110.8
305N30.8Very low31.9Very low162 Ų162157.7 Ų157.787%0.86684%0.837SS**  trans-100.6110161.4-83.2-20000108.9G303 A307G303-N305 PolarHBondContact O-N 3.15Å; N305-A307 PolarHBondContact O-N 3.01Å
306S37.6Very low32.3Very low126 Ų126151.5 Ų151.588%0.88183%0.83SS**  trans-80.495.2169.6-58.10000109.3
307A30.9Very low32.7Very low91 Ų91154.8 Ų154.875%0.75284%0.837SS**  trans-140.7104.8168.300000110.2N305N305-A307 PolarHBondContact O-N 3.01Å
308V35.1Very low32.7Very low140 Ų140150.2 Ų150.285%0.84883%0.83SS**  trans-73.2130.4171.9-179.90000108.5
309S30.9Very low33Very low89 Ų89146.8 Ų146.862%0.62282%0.823SS**  trans-74.2135.8-179.4-152.70000111.1N311S309-N311 PolarHBondContact O-N 3.25Å
310P33.3Very low33Very low117 Ų117145.7 Ų145.776%0.7682%0.816SS**G310 helixtrans-74.88.2-167.327.5-33.6000116.2
311N38Very low33.1Very low151 Ų151141.5 Ų141.581%0.80781%0.812SS**G310 helixtrans-89.96.1-176.3-82-13.7000115.3S309S309-N311 PolarHBondContact O-N 3.25Å
312F35.5Very low33.2Very low201 Ų201136.3 Ų136.388%0.88281%0.809SS**G310 helixtrans-93.30.4-174.2-145.8-98.5000115.2
313Q35.4Very low33.3Very low182 Ų182137.9 Ų137.985%0.8581%0.808SS**SBendtrans-105.63.9-171-91-176.8-21.600116.9
314Q34.8Very low33.4Very low174 Ų174139.2 Ų139.281%0.81381%0.812SS**SBendtrans-102.610.1-171.1-83.3-173.2-12.400117.6
315H37.7Very low33.5Very low194 Ų194139 Ų13990%0.89881%0.812SS**SBendtrans-129.539.6178.4-81.8-67.8000115.3
316C37.4Very low33.6Very low117 Ų117136.5 Ų136.579%0.79181%0.808SS**  trans-116.9143159.6-74.70000109.1
317V36.1Very low33.3Very low138 Ų138143.4 Ų143.484%0.83683%0.826SS**  trans95.984-180-162.50000115.2
318S29.4Very low33.4Very low105 Ų105146 Ų14673%0.73483%0.83SS**  trans-134.8100.6140.1-177.70000108
319T34.9Very low33.4Very low127 Ų127146.3 Ų146.378%0.77983%0.829SS**  trans-93.8106.4173.4-460000107.4
320I32.7Very low33.5Very low148 Ų148149.5 Ų149.576%0.75984%0.84SS**  trans-97.1111.6167.3-62.3178.4000107.5
321A31.4Very low33.5Very low91 Ų91151.4 Ų151.475%0.75285%0.845SS**  trans-76.4125.7174.900000110.6
322T32.3Very low33.2Very low142 Ų142151.4 Ų151.487%0.87185%0.847SS**  trans-93.6110.8171.2-22.10000109.3
323K31.4Very low33.1Very low203 Ų203148.1 Ų148.188%0.88385%0.845SS**  trans-78.5114.8173.9-157.1176.9-174.2-1790108S325K323-S325 PolarHBondContact O-N 2.98Å
324A29.3Very low32.9Very low100 Ų100145.7 Ų145.783%0.82684%0.844SS**  trans-70.8124.1168.700000108.9
325S28.1Very low32.8Very low120 Ų120143.5 Ų143.584%0.83985%0.847SS**  trans-113115.6165.9-168.30000107.7K323K323-S325 PolarHBondContact O-N 2.98Å
326S33.3Very low32.4Very low111 Ų111139.3 Ų139.378%0.77684%0.842SS**  trans-74.5130.7169-480000109.7
327Q32Very low31.9Very low270 Ų270141.4 Ų141.4100%1.26285%0.847SS**  trans-168.20137-104.5177.526.700109.1

Retrieved 327 of 327 residues in 171.1 ms (Link to these results)

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