A0A3Q0KPC8_SCHMA Loading...

Nonsense-mediated mRNA decay factor SMG8

Involved in nonsense-mediated decay (NMD) of mRNAs containing premature stop codons.

AlphaFold DB , UniProt , Accession A0A3Q0KPC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,266 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
1M35.1Very low50.7Low210 Ų21081.1 Ų81.1100%1.03443%0.434SS*.  0131.50-69.1-168.8136.200107.1
2S36.5Very low53.3Low78 Ų7874.4 Ų74.455%0.54540%0.398SS..  trans-61.5149.3178.663.60000109.4D4 A5S2-D4 PolarHBondContact O-N 2.83Å; S2-D4 VanDerWaalsContact O-N 3.09Å; S2-A5 WeakPolarHBondContact O-CB 3.34Å; S2-A5 PolarHBondContact O-N 3.16Å
3V41.5Very low55.3Low90 Ų9069.2 Ų69.255%0.54537%0.37SS..G310 helixtrans-54.8-30-177.9178.20000111.4A5V3-A5 VanDerWaalsContact C-N 3.28Å; V3-A5 PolarHBondContact O-N 2.73Å
4D40.6Very low57.3Low133 Ų13364.4 Ų64.471%0.71135%0.345SS*.G310 helixtrans-67.4-22.2177.8-59.7-32.8000113.9S2 V6 N8S2-D4 PolarHBondContact O-N 2.83Å; S2-D4 VanDerWaalsContact O-N 3.09Å; D4-V6 PolarHBondContact O-N 2.74Å; D4-N8 PolarHBondContact O-OD1 2.92Å; D4-N8 VanDerWaalsContact O-OD1 3.12Å
5A44.2Very low58.9Low38 Ų3861.9 Ų61.931%0.31433%0.334SS..G310 helixtrans-79.5-13.7-177.300000114.2S2 V3S2-A5 WeakPolarHBondContact O-CB 3.34Å; S2-A5 PolarHBondContact O-N 3.16Å; V3-A5 VanDerWaalsContact C-N 3.28Å; V3-A5 PolarHBondContact O-N 2.73Å
6V47.7Very low60.1Low29 Ų2958.1 Ų58.118%0.17631%0.314CS..THydrogen-bonded Turntrans-103.5-19.7-167-174.60000113.3D4 R11 K17 F18D4-V6 PolarHBondContact O-N 2.74Å; V6-R11 VanDerWaalsContact O-O 3.12Å; V6-K17 HydrophobicContact CG1-CB 4.07Å; V6-F18 HydrophobicContact CG1-CB 4.38Å; V6-F18 HydrophobicContact CG1-CD1 4.48Å
7Y47Very low60.8Low92 Ų9262.4 Ų62.436%0.36133%0.329SS..SBendtrans-115.157.9173.5-163.9-93.7000109.4E9 F18 Y73Y7-E9 PolarHBondContact O-N 2.73Å; Y7-F18 HydrophobicContact CD2-CE1 4.47Å; Y7-Y73 WeakPolarHBondContact OH-CD1 3.41Å
8N53.5Low61.5Low72 Ų7260.3 Ų60.339%0.38532%0.316SS..SBendtrans-77.9107.6174.6-88-1.5000108.9D4 G10 R11 L62D4-N8 PolarHBondContact O-OD1 2.92Å; D4-N8 VanDerWaalsContact O-OD1 3.12Å; N8-G10 PolarHBondContact O-N 3.14Å; N8-R11 PolarHBondContact O-N 2.91Å; N8-R11 VanDerWaalsContact O-N 3.12Å; N8-L62 HydrophobicContact CB-CD1 3.68Å; N8-L62 HydrophobicContact CB-CD2 4.15Å; N8-L62 HydrophobicContact CB-CG 4.49Å
9E63.4Low61.9Low135 Ų13560.1 Ų60.163%0.63132%0.315SS*.THydrogen-bonded Turntrans56.622.8171.3-56.5-175.5167.600115.1Y7 P60 Y72Y7-E9 PolarHBondContact O-N 2.73Å; E9-P60 WeakPolarHBondContact OE2-CD 3.41Å; E9-P60 VanDerWaalsContact OE2-CG 3.25Å; E9-P60 WeakPolarHBondContact OE2-CG 3.28Å; E9-Y72 VanDerWaalsContact O-CE2 3.24Å; E9-Y72 WeakPolarHBondContact O-CE2 3.17Å
10G71.2Confident62.4Low2 Ų259 Ų592%0.02131%0.308CS..THydrogen-bonded Turntrans100.3-7.9177.500000115.8N8 Y72 Y73N8-G10 PolarHBondContact O-N 3.14Å; G10-Y72 CarbonylContact O-C 3.08Å; G10-Y72 WeakPolarHBondContact O-CA 3.35Å; G10-Y73 PolarHBondContact O-N 2.79Å
11R77.2Confident62.6Low13 Ų1365.7 Ų65.75%0.04933%0.329CS..EExtended strand (participates in β ladder)trans-75.3145173.8-74.4-167.2-179.6-159.912.8112.2V6 N8 I59 P60 L62 G71 Y72V6-R11 VanDerWaalsContact O-O 3.12Å; N8-R11 PolarHBondContact O-N 2.91Å; N8-R11 VanDerWaalsContact O-N 3.12Å; R11-I59 HydrophobicContact CG-CG2 3.76Å; R11-I59 PolarHBondContact NH2-O 3.07Å; R11-P60 PolarHBondContact NE-O 2.86Å; R11-P60 PolarHBondContact NH2-O 2.74Å; R11-L62 HydrophobicContact CB-CD1 4.35Å; R11-G71 CarbonylContact C-O 3.48Å; R11-G71 VanDerWaalsContact CA-O 3.29Å; R11-G71 WeakPolarHBondContact CA-O 3.18Å; R11-Y72 HydrophobicContact CG-CD2 3.82Å
12F81.9Confident64.2Low1 Ų162.1 Ų62.10%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-152.9148.9175.861.9-87.7000112.3V14 P16 F18 G71 I80 L82 W363 F364F12-V14 HydrophobicContact CD2-CG2 4.46Å; F12-V14 HydrophobicContact CE2-CG2 4.03Å; F12-P16 HydrophobicContact CD2-CG 4.34Å; F12-F18 HydrophobicContact CB-CD1 4.41Å; F12-F18 HydrophobicContact CB-CE1 3.92Å; F12-F18 HydrophobicContact CG-CE1 4.27Å; F12-G71 PolarHBondContact N-O 3.31Å; F12-G71 WeakPolarHBondContact O-CA 3.15Å; F12-G71 PolarHBondContact O-N 3.31Å; F12-I80 HydrophobicContact CE1-CG2 4.24Å; F12-I80 HydrophobicContact CZ-CG2 3.81Å; F12-L82 HydrophobicContact CE2-CD2 4.3Å; F12-L82 HydrophobicContact CZ-CD2 4.17Å; F12-W363 HydrophobicContact CE2-CZ3 4.37Å; F12-W363 HydrophobicContact CZ-CH2 4.41Å; F12-W363 HydrophobicContact CZ-CZ3 4.16Å; F12-F364 HydrophobicContact CD1-CE1 4.11Å; F12-F364 HydrophobicContact CD1-CZ 4.15Å; F12-F364 AromaticContact CD2-CE1 3.96Å; F12-F364 HydrophobicContact CD2-CE1 3.96Å; F12-F364 AromaticContact CE1-CE1 3.79Å; F12-F364 HydrophobicContact CE1-CE1 3.79Å; F12-F364 AromaticContact CE1-CZ 3.8Å; F12-F364 HydrophobicContact CE1-CZ 3.8Å; F12-F364 AromaticContact CE2-CE1 3.64Å; F12-F364 HydrophobicContact CE2-CE1 3.64Å; F12-F364 HydrophobicContact CE2-CZ 4.47Å; F12-F364 HydrophobicContact CG-CE1 4.2Å; F12-F364 AromaticContact CZ-CE1 3.55Å; F12-F364 HydrophobicContact CZ-CE1 3.55Å; F12-F364 AromaticContact CZ-CZ 3.98Å; F12-F364 HydrophobicContact CZ-CZ 3.98Å
13P80Confident65.6Low6 Ų659.3 Ų59.34%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-77.4153.6170.829.2-30.7000110.7P15 P16 K17 L64P13-P15 CarbonylContact O-C 3.51Å; P13-P16 VanDerWaalsContact O-CA 3.26Å; P13-P16 WeakPolarHBondContact O-CA 3.49Å; P13-P16 VanDerWaalsContact O-N 3.17Å; P13-K17 HydrophobicContact CG-CB 4.36Å; P13-K17 HydrophobicContact CG-CD 4.17Å; P13-K17 HydrophobicContact CG-CG 4.08Å; P13-L64 HydrophobicContact CB-CD2 3.58Å; P13-L64 HydrophobicContact CB-CG 4.24Å; P13-L64 HydrophobicContact CG-CD2 4.07Å; P13-L64 HydrophobicContact CG-CG 4.48Å
14V82.8Confident66.5Low2 Ų259.3 Ų59.31%0.01229%0.29CS..SBendtrans-101.6124.9164.6-172.80000109.3F12 I69 L82 F120 Y371F12-V14 HydrophobicContact CD2-CG2 4.46Å; F12-V14 HydrophobicContact CE2-CG2 4.03Å; V14-I69 HydrophobicContact CB-CB 3.96Å; V14-I69 HydrophobicContact CB-CG2 4.2Å; V14-I69 HydrophobicContact CG2-CB 3.99Å; V14-I69 HydrophobicContact CG2-CG2 3.65Å; V14-I69 PolarHBondContact N-O 3.42Å; V14-I69 VanDerWaalsContact N-O 3.13Å; V14-L82 HydrophobicContact CG2-CD2 3.95Å; V14-F120 HydrophobicContact CG1-CE1 4Å; V14-F120 HydrophobicContact CG1-CZ 3.97Å; V14-Y371 HydrophobicContact CB-CD2 4.44Å; V14-Y371 HydrophobicContact CB-CE2 4.31Å; V14-Y371 HydrophobicContact CG1-CD1 4.49Å; V14-Y371 HydrophobicContact CG1-CD2 3.34Å; V14-Y371 HydrophobicContact CG1-CE2 3.65Å; V14-Y371 HydrophobicContact CG1-CG 3.79Å
15P80.8Confident67Low28 Ų2860.4 Ų60.418%0.18230%0.295CS..SBendcis-75.6149.54.332.9-28.5000111.3P13 K17 Y368 Y371 T372P13-P15 CarbonylContact O-C 3.51Å; P15-K17 PolarHBondContact O-N 2.73Å; P15-Y368 HydrophobicContact CB-CD2 3.93Å; P15-Y368 HydrophobicContact CB-CE2 4.36Å; P15-Y371 HydrophobicContact CB-CD1 3.75Å; P15-Y371 HydrophobicContact CB-CE1 4.44Å; P15-Y371 HydrophobicContact CB-CG 4.22Å; P15-Y371 HydrophobicContact CG-CD1 3.76Å; P15-Y371 HydrophobicContact CG-CE1 4.07Å; P15-T372 HydrophobicContact CB-CG2 3.95Å; P15-T372 HydrophobicContact CG-CG2 3.91Å
16P77.9Confident67.6Low1 Ų170.3 Ų70.31%0.00633%0.325CS..PPolyproline II helixtrans-55.8126.2179.2-22.630.1000111.9F12 P13 F18 F20 F364 Y368F12-P16 HydrophobicContact CD2-CG 4.34Å; P13-P16 VanDerWaalsContact O-CA 3.26Å; P13-P16 WeakPolarHBondContact O-CA 3.49Å; P13-P16 VanDerWaalsContact O-N 3.17Å; P16-F18 HydrophobicContact CB-CD1 4.14Å; P16-F18 HydrophobicContact CB-CE1 3.68Å; P16-F18 HydrophobicContact CB-CZ 3.97Å; P16-F20 HydrophobicContact CB-CE1 4.07Å; P16-F364 HydrophobicContact CB-CD1 4.19Å; P16-F364 HydrophobicContact CG-CD1 3.65Å; P16-F364 HydrophobicContact CG-CE1 4.19Å; P16-Y368 VanDerWaalsContact O-CD2 3.29Å; P16-Y368 WeakPolarHBondContact O-CD2 3.12Å
17K72.8Confident68.4Low131 Ų13169.9 Ų69.957%0.5732%0.323SS*.  trans-97.112.1-177.9-67.8-175-179.5176.90114.4V6 P13 P15V6-K17 HydrophobicContact CG1-CB 4.07Å; P13-K17 HydrophobicContact CG-CB 4.36Å; P13-K17 HydrophobicContact CG-CD 4.17Å; P13-K17 HydrophobicContact CG-CG 4.08Å; P15-K17 PolarHBondContact O-N 2.73Å
18F72.4Confident70Confident25 Ų2572.3 Ų72.311%0.1133%0.331CS..SBendtrans-105.8154.618059.8-99.6000111.6V6 Y7 F12 P16 F20 L23 F364V6-F18 HydrophobicContact CG1-CB 4.38Å; V6-F18 HydrophobicContact CG1-CD1 4.48Å; Y7-F18 HydrophobicContact CD2-CE1 4.47Å; F12-F18 HydrophobicContact CB-CD1 4.41Å; F12-F18 HydrophobicContact CB-CE1 3.92Å; F12-F18 HydrophobicContact CG-CE1 4.27Å; P16-F18 HydrophobicContact CB-CD1 4.14Å; P16-F18 HydrophobicContact CB-CE1 3.68Å; P16-F18 HydrophobicContact CB-CZ 3.97Å; F18-F20 HydrophobicContact CD2-CD1 4.37Å; F18-F20 HydrophobicContact CE2-CD1 4.02Å; F18-F20 HydrophobicContact CE2-CE1 4.23Å; F18-F20 PolarHBondContact O-N 3.45Å; F18-L23 HydrophobicContact CE2-CD1 3.89Å; F18-L23 HydrophobicContact CE2-CD2 4.43Å; F18-L23 HydrophobicContact CE2-CG 4.14Å; F18-F364 HydrophobicContact CE1-CD1 4.45Å; F18-F364 HydrophobicContact CE1-CE1 4.11Å; F18-F364 HydrophobicContact CE1-CZ 4.45Å; F18-F364 HydrophobicContact CE2-CG 4.48Å; F18-F364 AromaticContact CZ-CD1 3.7Å; F18-F364 HydrophobicContact CZ-CD1 3.7Å; F18-F364 HydrophobicContact CZ-CD2 4.17Å; F18-F364 AromaticContact CZ-CE1 3.6Å; F18-F364 HydrophobicContact CZ-CE1 3.6Å; F18-F364 HydrophobicContact CZ-CE2 4.07Å; F18-F364 AromaticContact CZ-CG 3.99Å; F18-F364 HydrophobicContact CZ-CG 3.99Å; F18-F364 AromaticContact CZ-CZ 3.81Å; F18-F364 HydrophobicContact CZ-CZ 3.81Å
19D70.5Confident71.6Confident55 Ų5573 Ų7329%0.29433%0.331SS..  trans-76.6118.8-179.1-176.6-12.1000111.5R21 H22D19-R21 PolarHBondContact O-N 3.01Å; D19-R21 VanDerWaalsContact OD1-CB 3.29Å; D19-R21 WeakPolarHBondContact OD1-CB 3.17Å; D19-R21 VanDerWaalsContact OD1-CG 3.28Å; D19-R21 WeakPolarHBondContact OD1-CG 2.9Å; D19-R21 PolarHBondContact OD1-N 3.33Å; D19-R21 IonicContact OD1-NE 2.79Å; D19-R21 PolarHBondContact OD1-NE 2.83Å; D19-R21 IonicContact OD2-CZ 3.36Å; D19-R21 IonicContact OD2-NE 2.9Å; D19-R21 PolarHBondContact OD2-NE 3.07Å; D19-R21 IonicContact OD2-NH2 3.32Å; D19-R21 PolarHBondContact OD2-NH2 3.15Å; D19-H22 PolarHBondContact O-N 3.5Å; D19-H22 VanDerWaalsContact O-N 3.08Å
20F71.2Confident72.9Confident38 Ų3866.6 Ų66.617%0.16730%0.301CS..G310 helixtrans-62.4-12.9-179.2-49.7-50.6000114.1P16 F18 H22 L23 K361 F364 M365 Y368P16-F20 HydrophobicContact CB-CE1 4.07Å; F18-F20 HydrophobicContact CD2-CD1 4.37Å; F18-F20 HydrophobicContact CE2-CD1 4.02Å; F18-F20 HydrophobicContact CE2-CE1 4.23Å; F18-F20 PolarHBondContact O-N 3.45Å; F20-H22 PolarHBondContact O-N 2.98Å; F20-L23 HydrophobicContact CD1-CD1 4.33Å; F20-L23 PolarHBondContact O-N 2.85Å; F20-K361 WeakPolarHBondContact O-CE 3.37Å; F20-F364 HydrophobicContact CD1-CB 4.11Å; F20-F364 HydrophobicContact CE1-CB 4.02Å; F20-M365 HydrophobicContact CB-CG 4.4Å; F20-M365 HydrophobicContact CD2-CG 3.91Å; F20-M365 HydrophobicContact CE2-CG 4.44Å; F20-M365 HydrophobicContact CG-CG 4.1Å; F20-Y368 HydrophobicContact CE2-CD1 4.29Å; F20-Y368 HydrophobicContact CE2-CD2 4.44Å; F20-Y368 HydrophobicContact CE2-CG 4.01Å; F20-Y368 HydrophobicContact CZ-CD1 4.42Å; F20-Y368 AromaticContact CZ-CD2 3.87Å; F20-Y368 HydrophobicContact CZ-CD2 3.87Å; F20-Y368 AromaticContact CZ-CG 3.69Å; F20-Y368 HydrophobicContact CZ-CG 3.69Å
21R67.1Low73.8Confident201 Ų20166.6 Ų66.676%0.75830%0.3SS*.G310 helixtrans-66.3-25.3173.4-66.5-178.7-66.2175.21.7112.5D19D19-R21 PolarHBondContact O-N 3.01Å; D19-R21 VanDerWaalsContact OD1-CB 3.29Å; D19-R21 WeakPolarHBondContact OD1-CB 3.17Å; D19-R21 VanDerWaalsContact OD1-CG 3.28Å; D19-R21 WeakPolarHBondContact OD1-CG 2.9Å; D19-R21 PolarHBondContact OD1-N 3.33Å; D19-R21 IonicContact OD1-NE 2.79Å; D19-R21 PolarHBondContact OD1-NE 2.83Å; D19-R21 IonicContact OD2-CZ 3.36Å; D19-R21 IonicContact OD2-NE 2.9Å; D19-R21 PolarHBondContact OD2-NE 3.07Å; D19-R21 IonicContact OD2-NH2 3.32Å; D19-R21 PolarHBondContact OD2-NH2 3.15Å
22H67.6Low74.6Confident135 Ų13566 Ų6663%0.62530%0.298SS*.G310 helixtrans-81.8-13.2177.9-61-60.4000113.7D19 F20D19-H22 PolarHBondContact O-N 3.5Å; D19-H22 VanDerWaalsContact O-N 3.08Å; F20-H22 PolarHBondContact O-N 2.98Å
23L67.3Low75.1Confident19 Ų1966 Ų6610%0.09930%0.298CS..SBendtrans-72.3135172.7-73.5169.6000110.3F18 F20 L25 K361 F364F18-L23 HydrophobicContact CE2-CD1 3.89Å; F18-L23 HydrophobicContact CE2-CD2 4.43Å; F18-L23 HydrophobicContact CE2-CG 4.14Å; F20-L23 HydrophobicContact CD1-CD1 4.33Å; F20-L23 PolarHBondContact O-N 2.85Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-K361 HydrophobicContact CB-CB 4.47Å; L23-K361 HydrophobicContact CB-CG 4.42Å; L23-K361 HydrophobicContact CD1-CB 4.41Å; L23-K361 HydrophobicContact CD1-CG 4.42Å; L23-F364 HydrophobicContact CD1-CB 4.16Å; L23-F364 HydrophobicContact CD1-CD2 3.62Å; L23-F364 HydrophobicContact CD1-CE2 4.39Å; L23-F364 HydrophobicContact CD1-CG 4.19Å; L23-F364 HydrophobicContact CD2-CD2 4.44Å; L23-F364 HydrophobicContact CD2-CE2 4.45Å
24P59.5Low75.7Confident89 Ų8965.7 Ų65.758%0.57830%0.296SS*.  trans-52.6134.1178.5-24.631.7000112.2R26 S27P24-R26 VanDerWaalsContact C-N 3.29Å; P24-R26 PolarHBondContact O-N 3.27Å; P24-S27 WeakPolarHBondContact O-CB 3.37Å; P24-S27 PolarHBondContact O-N 3.41Å
25L51.9Low76Confident157 Ų15765.6 Ų65.682%0.82230%0.296SS*.THydrogen-bonded Turntrans-61.1-36.1178-76.8160.8000112.5L23 S27L23-L25 PolarHBondContact O-N 2.95Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.5Å
26R55.2Low76.1Confident246 Ų24664.3 Ų64.393%0.92829%0.287SS*.THydrogen-bonded Turntrans-89.456170.2-85.2-173.6164.5173.6-3.5111.1P24P24-R26 VanDerWaalsContact C-N 3.29Å; P24-R26 PolarHBondContact O-N 3.27Å
27S65.6Low75.9Confident19 Ų1964.3 Ų64.313%0.13329%0.288CS..PPolyproline II helixtrans-69.8137.6178.465.40000111P24 L25 T359 C360 K361P24-S27 WeakPolarHBondContact O-CB 3.37Å; P24-S27 PolarHBondContact O-N 3.41Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.5Å; S27-T359 WeakPolarHBondContact OG-CB 3.09Å; S27-C360 PolarHBondContact OG-N 2.74Å; S27-K361 PolarHBondContact OG-N 2.9Å
28R80.4Confident75.7Confident143 Ų14360.4 Ų60.454%0.5427%0.271SS..PPolyproline II helixtrans-60.3154.6176-65.5179.9178179.9-4.3110.6C75 Q78 C360R28-C75 PolarHBondContact NH1-O 3.22Å; R28-Q78 HydrophobicContact CB-CG 4.21Å; R28-C360 PolarHBondContact O-N 3.27Å
29K87.4Confident75.2Confident87 Ų8762 Ų6238%0.37828%0.277SS..BIsolated β-bridgetrans-67.5147.4169.1-70.5-174.9170.7-167.10108.7Q78 E356 L357 P358K29-Q78 WeakPolarHBondContact O-CB 3.16Å; K29-Q78 PolarHBondContact O-OE1 3.3Å; K29-E356 IonicContact NZ-OE1 3.99Å; K29-E356 PolarHBondContact NZ-OE1 3.06Å; K29-L357 HydrophobicContact CB-CB 3.96Å; K29-L357 HydrophobicContact CD-CB 4.23Å; K29-L357 WeakPolarHBondContact CD-O 3.5Å; K29-L357 HydrophobicContact CG-CB 4.48Å; K29-P358 CarbonylContact C-O 3.54Å; K29-P358 VanDerWaalsContact CA-O 3.24Å; K29-P358 WeakPolarHBondContact CA-O 3.17Å
30V89.9Confident74.7Confident0 Ų059.9 Ų59.90%027%0.265CS..  trans-132.7144.4-174.4-66.40000112.6Y73 Q78 I80 P358 C360 W363V30-Y73 HydrophobicContact CG1-CE2 3.75Å; V30-Q78 VanDerWaalsContact CA-O 3.3Å; V30-Q78 WeakPolarHBondContact CA-O 3.49Å; V30-I80 HydrophobicContact CB-CD1 4.22Å; V30-I80 HydrophobicContact CB-CG1 4.36Å; V30-I80 HydrophobicContact CG1-CD1 4.49Å; V30-I80 HydrophobicContact CG2-CD1 3.82Å; V30-I80 HydrophobicContact CG2-CG1 4.47Å; V30-P358 HydrophobicContact CG2-CG 4.34Å; V30-P358 PolarHBondContact N-O 2.92Å; V30-C360 HydrophobicContact CG1-CB 3.64Å; V30-C360 HydrophobicContact CG2-CB 4.33Å; V30-W363 HydrophobicContact CG2-CB 4.2Å
31T90.7Very high73.6Confident2 Ų263.4 Ų63.41%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-95.7147.6169-660000109.2I33 Q78 V79 I80 F127 V334 M337T31-I33 HydrophobicContact CG2-CG1 4.27Å; T31-Q78 PolarHBondContact N-O 3.23Å; T31-V79 CarbonylContact O-C 3.59Å; T31-V79 WeakPolarHBondContact O-CA 3.25Å; T31-I80 PolarHBondContact O-N 2.92Å; T31-F127 HydrophobicContact CG2-CD2 3.91Å; T31-F127 HydrophobicContact CG2-CE2 3.85Å; T31-V334 HydrophobicContact CG2-CG1 4.37Å; T31-V334 HydrophobicContact CG2-CG2 4.43Å; T31-M337 HydrophobicContact CG2-CE 3.26Å; T31-M337 WeakPolarHBondContact OG1-CE 3.13Å
32V93.9Very high72.7Confident0 Ų059 Ų590%027%0.271CS..EExtended strand (participates in β ladder)trans-127.1122.2-175-175.50000109.3I80 L82 H126 F127 W363V32-I80 CarbonylContact C-O 3.5Å; V32-I80 VanDerWaalsContact CA-O 3.3Å; V32-I80 WeakPolarHBondContact CA-O 3.45Å; V32-I80 HydrophobicContact CG2-CB 4.32Å; V32-L82 HydrophobicContact CG1-CD1 4.13Å; V32-L82 HydrophobicContact CG1-CG 4.35Å; V32-H126 WeakPolarHBondContact CB-ND1 3.3Å; V32-H126 PolarHBondContact N-ND1 3.23Å; V32-H126 WeakPolarHBondContact O-CA 3.37Å; V32-H126 WeakPolarHBondContact O-CB 3.39Å; V32-H126 PolarHBondContact O-N 2.8Å; V32-F127 PolarHBondContact O-N 3.32Å; V32-W363 HydrophobicContact CG1-CZ2 3.84Å; V32-W363 HydrophobicContact CG2-CD2 4.23Å; V32-W363 HydrophobicContact CG2-CG 4.22Å; V32-W363 HydrophobicContact CG2-CZ2 4.23Å
33I93Very high71.8Confident1 Ų157 Ų571%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-119.8118.7-177.5-52.8-177.8000108.6T31 F35 V79 I80 F81 L82 F127 V129 V334T31-I33 HydrophobicContact CG2-CG1 4.27Å; I33-F35 HydrophobicContact CG2-CE2 4.18Å; I33-F35 HydrophobicContact CG2-CZ 4.42Å; I33-V79 HydrophobicContact CD1-CG1 3.65Å; I33-V79 HydrophobicContact CG1-CG1 3.82Å; I33-I80 PolarHBondContact N-O 2.86Å; I33-F81 HydrophobicContact CB-CD1 3.94Å; I33-F81 HydrophobicContact CB-CE1 4.13Å; I33-F81 HydrophobicContact CD1-CD1 4.49Å; I33-F81 HydrophobicContact CD1-CE1 3.82Å; I33-F81 HydrophobicContact CD1-CZ 4.4Å; I33-F81 HydrophobicContact CG1-CE1 4.42Å; I33-F81 HydrophobicContact CG2-CD1 4.33Å; I33-F81 HydrophobicContact CG2-CE1 4.42Å; I33-F81 CarbonylContact O-C 3.55Å; I33-F81 VanDerWaalsContact O-CA 3.29Å; I33-F81 WeakPolarHBondContact O-CA 3.2Å; I33-L82 PolarHBondContact O-N 3.28Å; I33-F127 HydrophobicContact CB-CB 4.29Å; I33-F127 HydrophobicContact CG1-CB 4.08Å; I33-F127 HydrophobicContact CG1-CD2 4.05Å; I33-F127 HydrophobicContact CG1-CG 4.38Å; I33-F127 HydrophobicContact CG2-CB 4.05Å; I33-V129 HydrophobicContact CG2-CG2 3.8Å; I33-V334 HydrophobicContact CD1-CG2 3.58Å
34S93Very high70.9Confident0 Ų062.2 Ų62.20%029%0.286CS..EExtended strand (participates in β ladder)trans-104.7129.7178.1-69.40000111.3L82 S125 F127 I128 V129S34-L82 CarbonylContact C-O 3.54Å; S34-L82 VanDerWaalsContact CA-O 3.3Å; S34-L82 WeakPolarHBondContact CA-O 3.49Å; S34-L82 WeakPolarHBondContact OG-CB 3.45Å; S34-S125 WeakPolarHBondContact CB-OG 3.13Å; S34-S125 PolarHBondContact OG-OG 3.08Å; S34-F127 PolarHBondContact N-O 2.81Å; S34-I128 CarbonylContact O-C 3.5Å; S34-I128 VanDerWaalsContact O-CA 3.32Å; S34-I128 WeakPolarHBondContact O-CA 3.49Å; S34-V129 PolarHBondContact O-N 3.18Å
35F87.5Confident70.6Confident0 Ų062 Ų620%028%0.276CS..EExtended strand (participates in β ladder)trans-100.7123.1175.9-76.9-77.9000109.8I33 N50 I51 F81 L82 F84 V129 L330I33-F35 HydrophobicContact CG2-CE2 4.18Å; I33-F35 HydrophobicContact CG2-CZ 4.42Å; F35-N50 HydrophobicContact CD1-CB 4.2Å; F35-N50 HydrophobicContact CE1-CB 3.69Å; F35-N50 HydrophobicContact CZ-CB 3.92Å; F35-I51 HydrophobicContact CD2-CG1 4.15Å; F35-I51 HydrophobicContact CE2-CG1 3.82Å; F35-F81 HydrophobicContact CD2-CD1 4.33Å; F35-F81 AromaticContact CE2-CD1 3.62Å; F35-F81 HydrophobicContact CE2-CD1 3.62Å; F35-F81 HydrophobicContact CE2-CE1 4.09Å; F35-L82 PolarHBondContact N-O 3.03Å; F35-F84 WeakPolarHBondContact O-CB 2.93Å; F35-F84 PolarHBondContact O-N 3.23Å; F35-V129 HydrophobicContact CD1-CB 3.63Å; F35-V129 HydrophobicContact CD1-CG1 3.86Å; F35-V129 HydrophobicContact CD1-CG2 4.25Å; F35-V129 HydrophobicContact CE1-CB 3.73Å; F35-V129 HydrophobicContact CE1-CG1 3.72Å; F35-V129 HydrophobicContact CE1-CG2 3.96Å; F35-V129 HydrophobicContact CG-CB 4.46Å; F35-V129 HydrophobicContact CZ-CG2 4.43Å; F35-L330 HydrophobicContact CZ-CD1 3.98Å
36I84.3Confident70.8Confident2 Ų256.6 Ų56.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-130.9164.7176.346.7169.2000109.5Q47 F84 L118 L121 I128 V129 I130 T131I36-Q47 PolarHBondContact O-NE2 3.21Å; I36-Q47 VanDerWaalsContact O-NE2 3.12Å; I36-F84 HydrophobicContact CG2-CB 3.7Å; I36-F84 HydrophobicContact CG2-CD1 4.28Å; I36-F84 HydrophobicContact CG2-CG 4.15Å; I36-L118 HydrophobicContact CG2-CD2 4.16Å; I36-L121 HydrophobicContact CG2-CD1 3.78Å; I36-I128 HydrophobicContact CD1-CG2 3.23Å; I36-I128 HydrophobicContact CG1-CG2 3.55Å; I36-V129 PolarHBondContact N-O 3.41Å; I36-I130 HydrophobicContact CD1-CD1 4.36Å; I36-I130 HydrophobicContact CD1-CG1 3.63Å; I36-I130 HydrophobicContact CG1-CG1 3.77Å; I36-I130 CarbonylContact O-C 3.56Å; I36-I130 WeakPolarHBondContact O-CA 3.13Å; I36-T131 PolarHBondContact O-N 2.82Å
37G73.9Confident70.9Confident1 Ų145.3 Ų45.31%0.0121%0.21CC..EExtended strand (participates in β ladder)trans110.8-170.4175.600000114.6Q47 N86 T131G37-Q47 PolarHBondContact O-NE2 2.86Å; G37-N86 WeakPolarHBondContact O-CB 3.48Å; G37-N86 PolarHBondContact O-ND2 3.1Å; G37-N86 PolarHBondContact O-OD1 2.93Å; G37-N86 VanDerWaalsContact O-OD1 3.13Å; G37-T131 CarbonylContact C-O 3.47Å; G37-T131 VanDerWaalsContact CA-O 3.32Å; G37-T131 WeakPolarHBondContact CA-O 3.48Å
38E67.6Low70.6Confident49 Ų4944.6 Ų44.623%0.22920%0.204CC..  trans-64.3142.2-162.6-67.9171.4179.200113.5N86 T131 I133E38-N86 WeakPolarHBondContact CA-ND2 3.21Å; E38-T131 PolarHBondContact N-O 2.91Å; E38-I133 HydrophobicContact CB-CD1 3.86Å; E38-I133 HydrophobicContact CB-CG1 3.95Å; E38-I133 WeakPolarHBondContact OE2-CB 3.41Å; E38-I133 PolarHBondContact OE2-N 3.27Å
39Y61.7Low69.5Low59 Ų5938.7 Ų38.723%0.23119%0.185CC..  trans-76.7130173.3179.3-97.4000108.9I41 D44 I133Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 HydrophobicContact CD1-CG1 4.24Å; Y39-I41 WeakPolarHBondContact O-CG1 3.32Å; Y39-I41 PolarHBondContact O-N 3.13Å; Y39-D44 PolarHBondContact OH-OD1 2.89Å; Y39-I133 VanDerWaalsContact O-CD1 3.22Å; Y39-I133 WeakPolarHBondContact O-CD1 3.37Å
40D59.4Low68.1Low9 Ų934.8 Ų34.85%0.04817%0.168CC..BIsolated β-bridgetrans-76.786.4179.6-169.7-14.8000110.2F42 R43 D44 K188D40-F42 PolarHBondContact O-N 2.91Å; D40-F42 PolarHBondContact OD1-N 3.33Å; D40-R43 PolarHBondContact O-N 2.99Å; D40-R43 PolarHBondContact OD1-N 3.09Å; D40-R43 VanDerWaalsContact OD1-N 3.1Å; D40-R43 VanDerWaalsContact OD2-CD 3.3Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.4Å; D40-D44 PolarHBondContact O-N 2.9Å; D40-D44 VanDerWaalsContact O-N 3.13Å; D40-K188 IonicContact OD2-NZ 3.75Å
41I49.4Very low66.6Low112 Ų11234.8 Ų34.857%0.57417%0.168SC*.THydrogen-bonded Turntrans-60.9-31.1179.3-40.1172.7000110.8Y39Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 HydrophobicContact CD1-CG1 4.24Å; Y39-I41 WeakPolarHBondContact O-CG1 3.32Å; Y39-I41 PolarHBondContact O-N 3.13Å
42F48Very low65Low108 Ų10838 Ų3847%0.47418%0.182SC..THydrogen-bonded Turntrans-72.1-38.1-176.4-61-74.7000112D40 I133 T190D40-F42 PolarHBondContact O-N 2.91Å; D40-F42 PolarHBondContact OD1-N 3.33Å; F42-I133 HydrophobicContact CD2-CG2 4.39Å; F42-I133 HydrophobicContact CE2-CG2 4.01Å; F42-T190 HydrophobicContact CE2-CG2 4.21Å
43R49.5Very low63.2Low93 Ų9339.8 Ų39.835%0.35119%0.194SC..THydrogen-bonded Turntrans-93.3-8.5-178.9-64.1-170.5176.4-178.13.1114.1D40 K45D40-R43 PolarHBondContact O-N 2.99Å; D40-R43 PolarHBondContact OD1-N 3.09Å; D40-R43 VanDerWaalsContact OD1-N 3.1Å; D40-R43 VanDerWaalsContact OD2-CD 3.3Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.4Å; R43-K45 HydrophobicContact CB-CB 3.99Å; R43-K45 HydrophobicContact CB-CD 4.11Å; R43-K45 HydrophobicContact CB-CG 4.05Å; R43-K45 WeakPolarHBondContact O-CG 3.21Å; R43-K45 PolarHBondContact O-N 3.48Å; R43-K45 VanDerWaalsContact O-N 3.12Å
44D47.5Very low61.5Low129 Ų12940.1 Ų40.169%0.6920%0.196SC*.THydrogen-bonded Turntrans47.436.8-169.4-150.113.9000112Y39 D40Y39-D44 PolarHBondContact OH-OD1 2.89Å; D40-D44 PolarHBondContact O-N 2.9Å; D40-D44 VanDerWaalsContact O-N 3.13Å
45K52.4Low59.7Low84 Ų8441.1 Ų41.137%0.36520%0.202SC..BIsolated β-bridgetrans-112.6121.6-176-81.5-178.8-173-173.80108.4R43R43-K45 HydrophobicContact CB-CB 3.99Å; R43-K45 HydrophobicContact CB-CD 4.11Å; R43-K45 HydrophobicContact CB-CG 4.05Å; R43-K45 WeakPolarHBondContact O-CG 3.21Å; R43-K45 PolarHBondContact O-N 3.48Å; R43-K45 VanDerWaalsContact O-N 3.12Å
46S57.5Low58.1Low44 Ų4444.5 Ų44.531%0.30824%0.237SC..  trans-61.8163.2169.574.10000110.9F48 S49S46-F48 PolarHBondContact O-N 2.93Å; S46-F48 WeakPolarHBondContact OG-CB 3.02Å; S46-F48 PolarHBondContact OG-N 3.44Å; S46-S49 VanDerWaalsContact O-CB 3.32Å; S46-S49 WeakPolarHBondContact O-CB 3.15Å; S46-S49 PolarHBondContact O-N 2.82Å; S46-S49 PolarHBondContact O-OG 2.74Å
47Q57.2Low56.7Low10 Ų1050.3 Ų50.35%0.04726%0.259CS..THydrogen-bonded Turntrans-60-13.1175.5-68.9-1423300113I36 G37 S49 N50 V83 T131I36-Q47 PolarHBondContact O-NE2 3.21Å; I36-Q47 VanDerWaalsContact O-NE2 3.12Å; G37-Q47 PolarHBondContact O-NE2 2.86Å; Q47-S49 PolarHBondContact O-N 3.17Å; Q47-N50 VanDerWaalsContact O-CB 3.31Å; Q47-N50 WeakPolarHBondContact O-CB 3.33Å; Q47-N50 PolarHBondContact O-N 2.97Å; Q47-V83 HydrophobicContact CB-CG1 3.67Å; Q47-T131 PolarHBondContact OE1-OG1 2.79Å
48F59.2Low55.4Low3 Ų359.5 Ų59.51%0.01330%0.301CS..Hα-helixtrans-58.5-23.9166.4-83.6-90.6000113.4S46 N50 I51 F52 E70 V83S46-F48 PolarHBondContact O-N 2.93Å; S46-F48 WeakPolarHBondContact OG-CB 3.02Å; S46-F48 PolarHBondContact OG-N 3.44Å; F48-N50 PolarHBondContact O-N 3Å; F48-I51 HydrophobicContact CD1-CD1 3.73Å; F48-I51 HydrophobicContact CE1-CD1 3.91Å; F48-I51 HydrophobicContact CG-CD1 4.37Å; F48-I51 WeakPolarHBondContact O-CA 3.47Å; F48-I51 WeakPolarHBondContact O-CB 3.44Å; F48-I51 PolarHBondContact O-N 2.93Å; F48-F52 HydrophobicContact CB-CE2 4.32Å; F48-F52 HydrophobicContact CB-CZ 4.31Å; F48-F52 WeakPolarHBondContact O-CD2 3.34Å; F48-F52 WeakPolarHBondContact O-CG 3.45Å; F48-F52 PolarHBondContact O-N 3.11Å; F48-E70 HydrophobicContact CE2-CB 3.64Å; F48-E70 HydrophobicContact CE2-CG 4.36Å; F48-E70 WeakPolarHBondContact CE2-OE2 3.26Å; F48-E70 HydrophobicContact CZ-CB 3.53Å; F48-E70 WeakPolarHBondContact CZ-OE2 3.48Å; F48-V83 HydrophobicContact CD1-CG2 4.36Å; F48-V83 HydrophobicContact CD2-CB 4.09Å; F48-V83 HydrophobicContact CD2-CG1 4.01Å; F48-V83 HydrophobicContact CD2-CG2 3.92Å; F48-V83 HydrophobicContact CE1-CG2 4.2Å; F48-V83 HydrophobicContact CE2-CB 3.66Å; F48-V83 HydrophobicContact CE2-CG1 3.96Å; F48-V83 HydrophobicContact CE2-CG2 3.74Å; F48-V83 HydrophobicContact CG-CG2 4.22Å; F48-V83 HydrophobicContact CZ-CB 4.09Å; F48-V83 HydrophobicContact CZ-CG2 3.88Å
49S57.6Low54.7Low19 Ų1957.6 Ų57.613%0.13329%0.293CS..Hα-helixtrans-56.6-33171.3590000113.6S46 Q47 I51 F52 S53S46-S49 VanDerWaalsContact O-CB 3.32Å; S46-S49 WeakPolarHBondContact O-CB 3.15Å; S46-S49 PolarHBondContact O-N 2.82Å; S46-S49 PolarHBondContact O-OG 2.74Å; Q47-S49 PolarHBondContact O-N 3.17Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-F52 PolarHBondContact O-N 2.79Å; S49-S53 PolarHBondContact O-N 3.4Å; S49-S53 VanDerWaalsContact O-N 3.13Å
50N56.6Low53.9Low5 Ų557.8 Ų57.83%0.02730%0.301CS..Hα-helixtrans-69.1-35.1175.1-59.4-18.6000110.8F35 Q47 F48 S53 Y54 T131 K188 L326F35-N50 HydrophobicContact CD1-CB 4.2Å; F35-N50 HydrophobicContact CE1-CB 3.69Å; F35-N50 HydrophobicContact CZ-CB 3.92Å; Q47-N50 VanDerWaalsContact O-CB 3.31Å; Q47-N50 WeakPolarHBondContact O-CB 3.33Å; Q47-N50 PolarHBondContact O-N 2.97Å; F48-N50 PolarHBondContact O-N 3Å; N50-S53 PolarHBondContact O-N 3.31Å; N50-S53 PolarHBondContact O-OG 3.07Å; N50-Y54 PolarHBondContact O-N 2.79Å; N50-T131 PolarHBondContact ND2-OG1 2.87Å; N50-K188 WeakPolarHBondContact OD1-CE 3.34Å; N50-K188 PolarHBondContact OD1-NZ 3.33Å; N50-L326 HydrophobicContact CB-CD2 3.78Å
51I58.6Low53Low0 Ų065.3 Ų65.30%034%0.34CS..Hα-helixtrans-67.5-42.8174.5-59172.7000110.3F35 F48 S49 S53 Y54 T55 I59 Y72 F81 V83F35-I51 HydrophobicContact CD2-CG1 4.15Å; F35-I51 HydrophobicContact CE2-CG1 3.82Å; F48-I51 HydrophobicContact CD1-CD1 3.73Å; F48-I51 HydrophobicContact CE1-CD1 3.91Å; F48-I51 HydrophobicContact CG-CD1 4.37Å; F48-I51 WeakPolarHBondContact O-CA 3.47Å; F48-I51 WeakPolarHBondContact O-CB 3.44Å; F48-I51 PolarHBondContact O-N 2.93Å; S49-I51 VanDerWaalsContact C-N 3.33Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.19Å; I51-Y54 WeakPolarHBondContact O-CB 3.43Å; I51-Y54 PolarHBondContact O-N 3.07Å; I51-T55 HydrophobicContact CG2-CG2 3.94Å; I51-T55 PolarHBondContact O-N 2.87Å; I51-T55 PolarHBondContact O-OG1 2.8Å; I51-I59 HydrophobicContact CG2-CD1 3.83Å; I51-Y72 HydrophobicContact CG2-CD1 3.88Å; I51-Y72 HydrophobicContact CG2-CE1 4.36Å; I51-F81 HydrophobicContact CD1-CB 3.53Å; I51-F81 HydrophobicContact CD1-CG 4.07Å; I51-F81 HydrophobicContact CG1-CB 4.03Å; I51-F81 HydrophobicContact CG1-CD1 4.11Å; I51-F81 HydrophobicContact CG1-CG 4.04Å; I51-F81 HydrophobicContact CG2-CD2 4.1Å; I51-F81 HydrophobicContact CG2-CE2 4.42Å; I51-F81 HydrophobicContact CG2-CG 4.23Å; I51-V83 HydrophobicContact CD1-CG2 3.35Å; I51-V83 HydrophobicContact CG1-CG2 4.37Å
52F57.9Low52.8Low70 Ų7062 Ų6231%0.30732%0.324SS..Hα-helixtrans-56.4-42175.4-60-41.1000112F48 S49 Y54 G56 R57 I59F48-F52 HydrophobicContact CB-CE2 4.32Å; F48-F52 HydrophobicContact CB-CZ 4.31Å; F48-F52 WeakPolarHBondContact O-CD2 3.34Å; F48-F52 WeakPolarHBondContact O-CG 3.45Å; F48-F52 PolarHBondContact O-N 3.11Å; S49-F52 PolarHBondContact O-N 2.79Å; F52-Y54 PolarHBondContact O-N 3.38Å; F52-G56 WeakPolarHBondContact O-CA 3.38Å; F52-G56 PolarHBondContact O-N 2.88Å; F52-R57 VanDerWaalsContact CD1-O 3.26Å; F52-R57 WeakPolarHBondContact CD1-O 3.41Å; F52-I59 HydrophobicContact CD1-CB 4.3Å; F52-I59 HydrophobicContact CD1-CD1 3.79Å; F52-I59 HydrophobicContact CD1-CG1 3.82Å; F52-I59 HydrophobicContact CE1-CB 3.49Å; F52-I59 VanDerWaalsContact CE1-CB 3.49Å; F52-I59 HydrophobicContact CE1-CD1 3.65Å; F52-I59 HydrophobicContact CE1-CG1 3.52Å; F52-I59 HydrophobicContact CZ-CB 4.37Å
53S55.5Low52.5Low37 Ų3765.2 Ų65.226%0.25935%0.346SS..Hα-helixtrans-65.1-27.6177.673.70000113S49 N50 I51 L326 S327S49-S53 PolarHBondContact O-N 3.4Å; S49-S53 VanDerWaalsContact O-N 3.13Å; N50-S53 PolarHBondContact O-N 3.31Å; N50-S53 PolarHBondContact O-OG 3.07Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.19Å; S53-L326 WeakPolarHBondContact OG-CD2 3.41Å; S53-S327 WeakPolarHBondContact O-CB 3.45Å
54Y57.5Low52.4Low8 Ų862.6 Ų62.63%0.03134%0.338CS..Hα-helixtrans-81.8-51177.3-176.1-92.1000112.3N50 I51 F52 F81 S327 L330 H331N50-Y54 PolarHBondContact O-N 2.79Å; I51-Y54 WeakPolarHBondContact O-CB 3.43Å; I51-Y54 PolarHBondContact O-N 3.07Å; F52-Y54 PolarHBondContact O-N 3.38Å; Y54-F81 HydrophobicContact CD1-CE1 4.31Å; Y54-F81 HydrophobicContact CD1-CE2 4.05Å; Y54-F81 AromaticContact CD1-CZ 3.37Å; Y54-F81 HydrophobicContact CD1-CZ 3.37Å; Y54-F81 HydrophobicContact CE1-CE2 4.28Å; Y54-F81 AromaticContact CE1-CZ 3.63Å; Y54-F81 HydrophobicContact CE1-CZ 3.63Å; Y54-F81 AromaticContact CG-CZ 3.97Å; Y54-F81 HydrophobicContact CG-CZ 3.97Å; Y54-S327 PolarHBondContact O-OG 3.23Å; Y54-L330 HydrophobicContact CD2-CB 3.57Å; Y54-L330 HydrophobicContact CD2-CD1 3.88Å; Y54-L330 HydrophobicContact CD2-CG 4.37Å; Y54-L330 HydrophobicContact CE2-CB 3.61Å; Y54-L330 HydrophobicContact CG-CD1 4.44Å; Y54-H331 AromaticContact CD2-CD2 3.98Å; Y54-H331 HydrophobicContact CE2-CB 4.38Å; Y54-H331 AromaticContact CE2-CD2 3.47Å; Y54-H331 VanDerWaalsContact CE2-CD2 3.47Å; Y54-H331 WeakPolarHBondContact CE2-CD2 3.35Å; Y54-H331 AromaticContact CE2-CE1 3.86Å; Y54-H331 AromaticContact CE2-CG 3.67Å; Y54-H331 AromaticContact CE2-ND1 3.9Å; Y54-H331 AromaticContact CE2-NE2 3.61Å; Y54-H331 AromaticContact CZ-CD2 3.91Å; Y54-H331 AromaticContact CZ-CE1 3.46Å; Y54-H331 VanDerWaalsContact CZ-CE1 3.46Å; Y54-H331 AromaticContact CZ-CG 3.99Å; Y54-H331 AromaticContact CZ-ND1 3.72Å; Y54-H331 AromaticContact CZ-NE2 3.57Å; Y54-H331 PolarHBondContact OH-CE1 2.91Å; Y54-H331 VanDerWaalsContact OH-CE1 3.26Å; Y54-H331 PolarHBondContact OH-ND1 3.32Å
55T55.5Low52.5Low22 Ų2260 Ų6014%0.13533%0.329CS..Hα-helixtrans-81.3-21.5-172.763.20000113.4I51 R57 Y72 F81I51-T55 HydrophobicContact CG2-CG2 3.94Å; I51-T55 PolarHBondContact O-N 2.87Å; I51-T55 PolarHBondContact O-OG1 2.8Å; T55-R57 PolarHBondContact O-N 3.14Å; T55-R57 PolarHBondContact OG1-N 3.3Å; T55-Y72 HydrophobicContact CG2-CE1 3.87Å; T55-F81 HydrophobicContact CG2-CE2 4.29Å
56G54.3Low52.5Low71 Ų7168.4 Ų68.473%0.73236%0.358SS*.  trans699.5-175.200000114.6F52F52-G56 WeakPolarHBondContact O-CA 3.38Å; F52-G56 PolarHBondContact O-N 2.88Å
57R54.4Low52.8Low124 Ų12467.1 Ų67.147%0.46835%0.349SS..SBendtrans-110.7136.7-179.1-64.6-176.6-179.9175.42.9110.9F52 T55 I59 E76F52-R57 VanDerWaalsContact CD1-O 3.26Å; F52-R57 WeakPolarHBondContact CD1-O 3.41Å; T55-R57 PolarHBondContact O-N 3.14Å; T55-R57 PolarHBondContact OG1-N 3.3Å; R57-I59 PolarHBondContact O-N 2.84Å; R57-E76 IonicContact CZ-OE1 3.24Å; R57-E76 VanDerWaalsContact CZ-OE1 3.3Å; R57-E76 IonicContact CZ-OE2 3.3Å; R57-E76 IonicContact NH1-OE1 2.65Å; R57-E76 PolarHBondContact NH1-OE1 2.88Å; R57-E76 IonicContact NH1-OE2 2.97Å; R57-E76 IonicContact NH2-OE1 3.12Å; R57-E76 PolarHBondContact NH2-OE1 3.17Å; R57-E76 IonicContact NH2-OE2 2.74Å; R57-E76 PolarHBondContact NH2-OE2 3.42Å
58E47.3Very low53.5Low193 Ų19369.8 Ų69.890%0.90236%0.359SS*.PPolyproline II helixtrans-68.5120163.4-75.8-170.6160.400108.7
59I51.2Low54.7Low10 Ų1069.7 Ų69.75%0.05136%0.359CS..PPolyproline II helixtrans-104119.7177.8-41155.8000107.2R11 I51 F52 R57 Y72R11-I59 HydrophobicContact CG-CG2 3.76Å; R11-I59 PolarHBondContact NH2-O 3.07Å; I51-I59 HydrophobicContact CG2-CD1 3.83Å; F52-I59 HydrophobicContact CD1-CB 4.3Å; F52-I59 HydrophobicContact CD1-CD1 3.79Å; F52-I59 HydrophobicContact CD1-CG1 3.82Å; F52-I59 HydrophobicContact CE1-CB 3.49Å; F52-I59 VanDerWaalsContact CE1-CB 3.49Å; F52-I59 HydrophobicContact CE1-CD1 3.65Å; F52-I59 HydrophobicContact CE1-CG1 3.52Å; F52-I59 HydrophobicContact CZ-CB 4.37Å; R57-I59 PolarHBondContact O-N 2.84Å; I59-Y72 HydrophobicContact CD1-CD1 4.18Å; I59-Y72 HydrophobicContact CD1-CD2 3.93Å; I59-Y72 HydrophobicContact CD1-CE1 4.12Å; I59-Y72 HydrophobicContact CD1-CE2 3.82Å; I59-Y72 HydrophobicContact CD1-CG 4.1Å; I59-Y72 HydrophobicContact CG1-CD2 4.49Å; I59-Y72 HydrophobicContact CG1-CE2 3.99Å; I59-Y72 HydrophobicContact CG2-CD2 4.05Å; I59-Y72 HydrophobicContact CG2-CE2 3.82Å
60P44.9Very low55.9Low63 Ų6370.6 Ų70.641%0.40936%0.361SS..PPolyproline II helixtrans-54143.8-177.9-25.532.7000113.4E9 R11 L62E9-P60 WeakPolarHBondContact OE2-CD 3.41Å; E9-P60 VanDerWaalsContact OE2-CG 3.25Å; E9-P60 WeakPolarHBondContact OE2-CG 3.28Å; R11-P60 PolarHBondContact NE-O 2.86Å; R11-P60 PolarHBondContact NH2-O 2.74Å; P60-L62 PolarHBondContact O-N 3.18Å
61L41.8Very low57.2Low167 Ų16770.4 Ų70.487%0.87436%0.36SS*.  trans-70.7113.6170-169.376.3000108.5
62L44.2Very low58.5Low43 Ų4371 Ų7123%0.22536%0.362CS..  trans-98136.6169.4-90.9116.6000110.3N8 R11 P60 L64N8-L62 HydrophobicContact CB-CD1 3.68Å; N8-L62 HydrophobicContact CB-CD2 4.15Å; N8-L62 HydrophobicContact CB-CG 4.49Å; R11-L62 HydrophobicContact CB-CD1 4.35Å; P60-L62 PolarHBondContact O-N 3.18Å; L62-L64 HydrophobicContact CB-CD1 3.73Å; L62-L64 HydrophobicContact CD2-CD1 4.12Å; L62-L64 PolarHBondContact O-N 2.83Å
63D42.7Very low59.8Low174 Ų17468.6 Ų68.693%0.9335%0.352SS*.  trans-77.770.6172.1-142.710.7000108.9
64L46.5Very low61.1Low38 Ų3867.2 Ų67.220%0.19934%0.341CS..  trans-73.4141.5174.9-110.564.6000109.2P13 L62 R66P13-L64 HydrophobicContact CB-CD2 3.58Å; P13-L64 HydrophobicContact CB-CG 4.24Å; P13-L64 HydrophobicContact CG-CD2 4.07Å; P13-L64 HydrophobicContact CG-CG 4.48Å; L62-L64 HydrophobicContact CB-CD1 3.73Å; L62-L64 HydrophobicContact CD2-CD1 4.12Å; L62-L64 PolarHBondContact O-N 2.83Å; L64-R66 PolarHBondContact O-N 2.81Å
65P49Very low62.1Low75 Ų7569.8 Ų69.849%0.48736%0.36SS..  trans-57.6131.4171.723.5-31.7000109.2S67P65-S67 PolarHBondContact O-N 3.1Å
66R54.1Low63.2Low261 Ų26173.9 Ų73.999%0.98538%0.377SS*.  trans-38.295.1-176.4-72.8-176.6-178.7167.2-0.1111.9L64L64-R66 PolarHBondContact O-N 2.81Å
67S62Low64.3Low17 Ų1773.5 Ų73.512%0.11936%0.358CS..  trans-105.9142.6171.252.40000108.4P65 I69 N85P65-S67 PolarHBondContact O-N 3.1Å; S67-I69 PolarHBondContact O-N 2.84Å; S67-I69 PolarHBondContact OG-O 2.84Å; S67-I69 VanDerWaalsContact OG-O 3.13Å; S67-N85 PolarHBondContact O-ND2 3.48Å
68Y73.5Confident65.8Low66 Ų6670.7 Ų70.726%0.25935%0.35SS..SBendtrans-62.2-29.4175.5-60.9-74.4000112.4F84 N85 E88 T113 V117Y68-F84 WeakPolarHBondContact O-CD2 3.49Å; Y68-N85 PolarHBondContact O-N 2.91Å; Y68-E88 WeakPolarHBondContact CE1-OE2 3.3Å; Y68-T113 HydrophobicContact CD2-CG2 4.25Å; Y68-T113 HydrophobicContact CE1-CG2 4.41Å; Y68-T113 HydrophobicContact CE2-CG2 3.46Å; Y68-T113 VanDerWaalsContact CE2-CG2 3.46Å; Y68-V117 HydrophobicContact CD2-CG2 4.09Å; Y68-V117 HydrophobicContact CG-CG2 4.06Å
69I83.5Confident67.7Low0 Ų061.5 Ų61.50%031%0.308CS..EExtended strand (participates in β ladder)trans-128.4129.5178.9-56.9162.5000110V14 S67 L82 V83 F84 V117 F120 L121 Y371V14-I69 HydrophobicContact CB-CB 3.96Å; V14-I69 HydrophobicContact CB-CG2 4.2Å; V14-I69 HydrophobicContact CG2-CB 3.99Å; V14-I69 HydrophobicContact CG2-CG2 3.65Å; V14-I69 PolarHBondContact N-O 3.42Å; V14-I69 VanDerWaalsContact N-O 3.13Å; S67-I69 PolarHBondContact O-N 2.84Å; S67-I69 PolarHBondContact OG-O 2.84Å; S67-I69 VanDerWaalsContact OG-O 3.13Å; I69-L82 HydrophobicContact CG2-CB 3.91Å; I69-L82 HydrophobicContact CG2-CD2 4.01Å; I69-L82 HydrophobicContact CG2-CG 4.42Å; I69-V83 WeakPolarHBondContact CA-O 3.29Å; I69-F84 HydrophobicContact CG1-CD2 4Å; I69-V117 HydrophobicContact CD1-CG1 3.51Å; I69-V117 HydrophobicContact CG1-CG1 3.69Å; I69-F120 HydrophobicContact CD1-CD1 3.6Å; I69-F120 HydrophobicContact CD1-CE1 3.67Å; I69-L121 HydrophobicContact CD1-CD1 4.46Å; I69-L121 HydrophobicContact CD1-CD2 3.51Å; I69-L121 HydrophobicContact CD1-CG 3.94Å; I69-L121 HydrophobicContact CG1-CD2 4.18Å; I69-Y371 HydrophobicContact CD1-CE2 4.21Å
70E82.4Confident69.6Low38 Ų3861 Ų6118%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-106.6138.3168.4-65176.7-153.700109.7F48 L82 V83 N85F48-E70 HydrophobicContact CE2-CB 3.64Å; F48-E70 HydrophobicContact CE2-CG 4.36Å; F48-E70 WeakPolarHBondContact CE2-OE2 3.26Å; F48-E70 HydrophobicContact CZ-CB 3.53Å; F48-E70 WeakPolarHBondContact CZ-OE2 3.48Å; E70-L82 CarbonylContact O-C 3.57Å; E70-V83 PolarHBondContact N-O 2.67Å; E70-V83 PolarHBondContact O-N 2.91Å; E70-N85 PolarHBondContact OE1-ND2 2.89Å
71G85.2Confident71.7Confident1 Ų158 Ų581%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-112.3151.9-178.800000112.8R11 F12 F81R11-G71 CarbonylContact C-O 3.48Å; R11-G71 VanDerWaalsContact CA-O 3.29Å; R11-G71 WeakPolarHBondContact CA-O 3.18Å; F12-G71 PolarHBondContact N-O 3.31Å; F12-G71 WeakPolarHBondContact O-CA 3.15Å; F12-G71 PolarHBondContact O-N 3.31Å; G71-F81 CarbonylContact C-O 3.53Å; G71-F81 VanDerWaalsContact CA-O 3.23Å; G71-F81 WeakPolarHBondContact CA-O 3.35Å
72Y85.1Confident74Confident12 Ų1250 Ų505%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-138.2124.8169.3177.1-101.9000109.6E9 G10 R11 I51 T55 I59 D74 F81E9-Y72 VanDerWaalsContact O-CE2 3.24Å; E9-Y72 WeakPolarHBondContact O-CE2 3.17Å; G10-Y72 CarbonylContact O-C 3.08Å; G10-Y72 WeakPolarHBondContact O-CA 3.35Å; R11-Y72 HydrophobicContact CG-CD2 3.82Å; I51-Y72 HydrophobicContact CG2-CD1 3.88Å; I51-Y72 HydrophobicContact CG2-CE1 4.36Å; T55-Y72 HydrophobicContact CG2-CE1 3.87Å; I59-Y72 HydrophobicContact CD1-CD1 4.18Å; I59-Y72 HydrophobicContact CD1-CD2 3.93Å; I59-Y72 HydrophobicContact CD1-CE1 4.12Å; I59-Y72 HydrophobicContact CD1-CE2 3.82Å; I59-Y72 HydrophobicContact CD1-CG 4.1Å; I59-Y72 HydrophobicContact CG1-CD2 4.49Å; I59-Y72 HydrophobicContact CG1-CE2 3.99Å; I59-Y72 HydrophobicContact CG2-CD2 4.05Å; I59-Y72 HydrophobicContact CG2-CE2 3.82Å; Y72-D74 HydrophobicContact CE1-CB 4Å; Y72-F81 AromaticContact CD1-CD2 3.89Å; Y72-F81 HydrophobicContact CD1-CD2 3.89Å; Y72-F81 PolarHBondContact N-O 2.78Å; Y72-F81 PolarHBondContact O-N 2.86Å
73Y85.4Confident76Confident21 Ų2148 Ų488%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-104.8112.3177.6174.7-139.1000111Y7 G10 V30 C75 I80 C360 F364Y7-Y73 WeakPolarHBondContact OH-CD1 3.41Å; G10-Y73 PolarHBondContact O-N 2.79Å; V30-Y73 HydrophobicContact CG1-CE2 3.75Å; Y73-C75 HydrophobicContact CD1-CB 4.46Å; Y73-C75 HydrophobicContact CE1-CB 3.8Å; Y73-C75 HydrophobicContact CE2-CB 4.37Å; Y73-C75 PolarHBondContact O-N 3.11Å; Y73-I80 HydrophobicContact CD2-CD1 4.33Å; Y73-I80 HydrophobicContact CD2-CG1 3.49Å; Y73-I80 VanDerWaalsContact CD2-CG1 3.49Å; Y73-I80 HydrophobicContact CE2-CG1 4.17Å; Y73-I80 HydrophobicContact CG-CG1 4.14Å; Y73-C360 VanDerWaalsContact CE1-SG 3.56Å; Y73-C360 VanDerWaalsContact CZ-SG 3.58Å; Y73-F364 HydrophobicContact CD1-CE2 4.45Å
74D83.8Confident77.9Confident8 Ų839.9 Ų39.94%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-88.7100169.3-174.5-16.9000109.5Y72 E76 N77 Q78 V79 F81Y72-D74 HydrophobicContact CE1-CB 4Å; D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.45Å; D74-E76 WeakPolarHBondContact OD1-CB 3.33Å; D74-E76 PolarHBondContact OD1-N 3.12Å; D74-N77 PolarHBondContact OD1-N 2.99Å; D74-N77 VanDerWaalsContact OD1-N 3.08Å; D74-N77 WeakPolarHBondContact OD2-CB 3.37Å; D74-N77 PolarHBondContact OD2-ND2 3.36Å; D74-Q78 WeakPolarHBondContact O-CA 3.45Å; D74-Q78 PolarHBondContact O-N 2.97Å; D74-V79 PolarHBondContact N-O 3.01Å; D74-V79 PolarHBondContact O-N 3.34Å; D74-F81 HydrophobicContact CB-CE2 4.28Å
75C76.8Confident79Confident62 Ų6240.4 Ų40.442%0.41919%0.193SC..THydrogen-bonded Turntrans-73.9-19.4-178.365.20000113.8R28 Y73R28-C75 PolarHBondContact NH1-O 3.22Å; Y73-C75 HydrophobicContact CD1-CB 4.46Å; Y73-C75 HydrophobicContact CE1-CB 3.8Å; Y73-C75 HydrophobicContact CE2-CB 4.37Å; Y73-C75 PolarHBondContact O-N 3.11Å
76E78.2Confident79.4Confident108 Ų10837.3 Ų37.351%0.50517%0.172SC..THydrogen-bonded Turntrans-76.5-51.4179.1-70.2173.5-153.800109.6R57 D74 Q78R57-E76 IonicContact CZ-OE1 3.24Å; R57-E76 VanDerWaalsContact CZ-OE1 3.3Å; R57-E76 IonicContact CZ-OE2 3.3Å; R57-E76 IonicContact NH1-OE1 2.65Å; R57-E76 PolarHBondContact NH1-OE1 2.88Å; R57-E76 IonicContact NH1-OE2 2.97Å; R57-E76 IonicContact NH2-OE1 3.12Å; R57-E76 PolarHBondContact NH2-OE1 3.17Å; R57-E76 IonicContact NH2-OE2 2.74Å; R57-E76 PolarHBondContact NH2-OE2 3.42Å; D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.45Å; D74-E76 WeakPolarHBondContact OD1-CB 3.33Å; D74-E76 PolarHBondContact OD1-N 3.12Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 2.98Å
77N78.5Confident79.3Confident62 Ų6231.8 Ų31.833%0.33216%0.161SC..THydrogen-bonded Turntrans-83.3-4.3178.7-68-51000113.9D74 V79D74-N77 PolarHBondContact OD1-N 2.99Å; D74-N77 VanDerWaalsContact OD1-N 3.08Å; D74-N77 WeakPolarHBondContact OD2-CB 3.37Å; D74-N77 PolarHBondContact OD2-ND2 3.36Å; N77-V79 VanDerWaalsContact C-N 3.27Å; N77-V79 HydrophobicContact CB-CG2 4.1Å; N77-V79 WeakPolarHBondContact O-CG2 3.36Å; N77-V79 PolarHBondContact O-N 2.89Å
78Q85.9Confident78.8Confident65 Ų6535 Ų3530%0.30417%0.174SC..THydrogen-bonded Turntrans60.236.1-177.4-55175.827.200112.6R28 K29 V30 T31 D74 E76R28-Q78 HydrophobicContact CB-CG 4.21Å; K29-Q78 WeakPolarHBondContact O-CB 3.16Å; K29-Q78 PolarHBondContact O-OE1 3.3Å; V30-Q78 VanDerWaalsContact CA-O 3.3Å; V30-Q78 WeakPolarHBondContact CA-O 3.49Å; T31-Q78 PolarHBondContact N-O 3.23Å; D74-Q78 WeakPolarHBondContact O-CA 3.45Å; D74-Q78 PolarHBondContact O-N 2.97Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 2.98Å
79V87.1Confident77.5Confident0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-119.1132-177.5-174.10000110.7T31 I33 D74 N77 F81 V334T31-V79 CarbonylContact O-C 3.59Å; T31-V79 WeakPolarHBondContact O-CA 3.25Å; I33-V79 HydrophobicContact CD1-CG1 3.65Å; I33-V79 HydrophobicContact CG1-CG1 3.82Å; D74-V79 PolarHBondContact N-O 3.01Å; D74-V79 PolarHBondContact O-N 3.34Å; N77-V79 VanDerWaalsContact C-N 3.27Å; N77-V79 HydrophobicContact CB-CG2 4.1Å; N77-V79 WeakPolarHBondContact O-CG2 3.36Å; N77-V79 PolarHBondContact O-N 2.89Å; V79-F81 HydrophobicContact CB-CE2 3.89Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.28Å; V79-F81 HydrophobicContact CG1-CD2 4.05Å; V79-F81 HydrophobicContact CG1-CE1 3.85Å; V79-F81 HydrophobicContact CG1-CE2 3.58Å; V79-F81 HydrophobicContact CG1-CG 4.4Å; V79-F81 HydrophobicContact CG1-CZ 3.47Å; V79-F81 VanDerWaalsContact CG1-CZ 3.47Å; V79-V334 HydrophobicContact CG2-CG1 4.14Å
80I90.6Very high75.8Confident0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-103.4123.5168.2-62.3175.8000107.9F12 V30 T31 V32 I33 Y73 L82 W363 F364F12-I80 HydrophobicContact CE1-CG2 4.24Å; F12-I80 HydrophobicContact CZ-CG2 3.81Å; V30-I80 HydrophobicContact CB-CD1 4.22Å; V30-I80 HydrophobicContact CB-CG1 4.36Å; V30-I80 HydrophobicContact CG1-CD1 4.49Å; V30-I80 HydrophobicContact CG2-CD1 3.82Å; V30-I80 HydrophobicContact CG2-CG1 4.47Å; T31-I80 PolarHBondContact O-N 2.92Å; V32-I80 CarbonylContact C-O 3.5Å; V32-I80 VanDerWaalsContact CA-O 3.3Å; V32-I80 WeakPolarHBondContact CA-O 3.45Å; V32-I80 HydrophobicContact CG2-CB 4.32Å; I33-I80 PolarHBondContact N-O 2.86Å; Y73-I80 HydrophobicContact CD2-CD1 4.33Å; Y73-I80 HydrophobicContact CD2-CG1 3.49Å; Y73-I80 VanDerWaalsContact CD2-CG1 3.49Å; Y73-I80 HydrophobicContact CE2-CG1 4.17Å; Y73-I80 HydrophobicContact CG-CG1 4.14Å; I80-L82 HydrophobicContact CG2-CD2 4.35Å; I80-W363 HydrophobicContact CD1-CD2 3.83Å; I80-W363 HydrophobicContact CD1-CE3 3.42Å; I80-W363 VanDerWaalsContact CD1-CE3 3.42Å; I80-W363 HydrophobicContact CD1-CG 4.39Å; I80-W363 HydrophobicContact CD1-CZ3 3.86Å; I80-W363 HydrophobicContact CG2-CH2 3.91Å; I80-W363 HydrophobicContact CG2-CZ2 4.39Å; I80-W363 HydrophobicContact CG2-CZ3 3.99Å; I80-F364 HydrophobicContact CD1-CE2 4.38Å; I80-F364 HydrophobicContact CD1-CZ 4.38Å
81F88.9Confident74.2Confident0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-98.8135.6173.1-63-81.5000110.2I33 F35 I51 Y54 T55 G71 Y72 D74 V79I33-F81 HydrophobicContact CB-CD1 3.94Å; I33-F81 HydrophobicContact CB-CE1 4.13Å; I33-F81 HydrophobicContact CD1-CD1 4.49Å; I33-F81 HydrophobicContact CD1-CE1 3.82Å; I33-F81 HydrophobicContact CD1-CZ 4.4Å; I33-F81 HydrophobicContact CG1-CE1 4.42Å; I33-F81 HydrophobicContact CG2-CD1 4.33Å; I33-F81 HydrophobicContact CG2-CE1 4.42Å; I33-F81 CarbonylContact O-C 3.55Å; I33-F81 VanDerWaalsContact O-CA 3.29Å; I33-F81 WeakPolarHBondContact O-CA 3.2Å; F35-F81 HydrophobicContact CD2-CD1 4.33Å; F35-F81 AromaticContact CE2-CD1 3.62Å; F35-F81 HydrophobicContact CE2-CD1 3.62Å; F35-F81 HydrophobicContact CE2-CE1 4.09Å; I51-F81 HydrophobicContact CD1-CB 3.53Å; I51-F81 HydrophobicContact CD1-CG 4.07Å; I51-F81 HydrophobicContact CG1-CB 4.03Å; I51-F81 HydrophobicContact CG1-CD1 4.11Å; I51-F81 HydrophobicContact CG1-CG 4.04Å; I51-F81 HydrophobicContact CG2-CD2 4.1Å; I51-F81 HydrophobicContact CG2-CE2 4.42Å; I51-F81 HydrophobicContact CG2-CG 4.23Å; Y54-F81 HydrophobicContact CD1-CE1 4.31Å; Y54-F81 HydrophobicContact CD1-CE2 4.05Å; Y54-F81 AromaticContact CD1-CZ 3.37Å; Y54-F81 HydrophobicContact CD1-CZ 3.37Å; Y54-F81 HydrophobicContact CE1-CE2 4.28Å; Y54-F81 AromaticContact CE1-CZ 3.63Å; Y54-F81 HydrophobicContact CE1-CZ 3.63Å; Y54-F81 AromaticContact CG-CZ 3.97Å; Y54-F81 HydrophobicContact CG-CZ 3.97Å; T55-F81 HydrophobicContact CG2-CE2 4.29Å; G71-F81 CarbonylContact C-O 3.53Å; G71-F81 VanDerWaalsContact CA-O 3.23Å; G71-F81 WeakPolarHBondContact CA-O 3.35Å; Y72-F81 AromaticContact CD1-CD2 3.89Å; Y72-F81 HydrophobicContact CD1-CD2 3.89Å; Y72-F81 PolarHBondContact N-O 2.78Å; Y72-F81 PolarHBondContact O-N 2.86Å; D74-F81 HydrophobicContact CB-CE2 4.28Å; V79-F81 HydrophobicContact CB-CE2 3.89Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.28Å; V79-F81 HydrophobicContact CG1-CD2 4.05Å; V79-F81 HydrophobicContact CG1-CE1 3.85Å; V79-F81 HydrophobicContact CG1-CE2 3.58Å; V79-F81 HydrophobicContact CG1-CG 4.4Å; V79-F81 HydrophobicContact CG1-CZ 3.47Å; V79-F81 VanDerWaalsContact CG1-CZ 3.47Å
82L91.3Very high72.3Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-119.2126.9170.7-62.9-177.9000108.4F12 V14 V32 I33 S34 F35 I69 E70 I80 L121 V124 W363F12-L82 HydrophobicContact CE2-CD2 4.3Å; F12-L82 HydrophobicContact CZ-CD2 4.17Å; V14-L82 HydrophobicContact CG2-CD2 3.95Å; V32-L82 HydrophobicContact CG1-CD1 4.13Å; V32-L82 HydrophobicContact CG1-CG 4.35Å; I33-L82 PolarHBondContact O-N 3.28Å; S34-L82 CarbonylContact C-O 3.54Å; S34-L82 VanDerWaalsContact CA-O 3.3Å; S34-L82 WeakPolarHBondContact CA-O 3.49Å; S34-L82 WeakPolarHBondContact OG-CB 3.45Å; F35-L82 PolarHBondContact N-O 3.03Å; I69-L82 HydrophobicContact CG2-CB 3.91Å; I69-L82 HydrophobicContact CG2-CD2 4.01Å; I69-L82 HydrophobicContact CG2-CG 4.42Å; E70-L82 CarbonylContact O-C 3.57Å; I80-L82 HydrophobicContact CG2-CD2 4.35Å; L82-L121 HydrophobicContact CB-CD2 4.25Å; L82-L121 HydrophobicContact CD1-CD2 3.91Å; L82-V124 HydrophobicContact CD1-CG2 3.96Å; L82-W363 HydrophobicContact CD1-CH2 4.18Å; L82-W363 HydrophobicContact CD1-CZ2 3.96Å; L82-W363 HydrophobicContact CD2-CH2 4.03Å; L82-W363 HydrophobicContact CG-CH2 4.45Å
83V85.2Confident70.6Confident1 Ų137.3 Ų37.31%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-111.5116.8177.5-1790000107.9Q47 F48 I51 I69 E70Q47-V83 HydrophobicContact CB-CG1 3.67Å; F48-V83 HydrophobicContact CD1-CG2 4.36Å; F48-V83 HydrophobicContact CD2-CB 4.09Å; F48-V83 HydrophobicContact CD2-CG1 4.01Å; F48-V83 HydrophobicContact CD2-CG2 3.92Å; F48-V83 HydrophobicContact CE1-CG2 4.2Å; F48-V83 HydrophobicContact CE2-CB 3.66Å; F48-V83 HydrophobicContact CE2-CG1 3.96Å; F48-V83 HydrophobicContact CE2-CG2 3.74Å; F48-V83 HydrophobicContact CG-CG2 4.22Å; F48-V83 HydrophobicContact CZ-CB 4.09Å; F48-V83 HydrophobicContact CZ-CG2 3.88Å; I51-V83 HydrophobicContact CD1-CG2 3.35Å; I51-V83 HydrophobicContact CG1-CG2 4.37Å; I69-V83 WeakPolarHBondContact CA-O 3.29Å; E70-V83 PolarHBondContact N-O 2.67Å; E70-V83 PolarHBondContact O-N 2.91Å
84F83.1Confident68.8Low2 Ų242.4 Ų42.41%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-83122.2173-179.4-99.4000109.9F35 I36 Y68 I69 N86 I89 L114 V117 L121F35-F84 WeakPolarHBondContact O-CB 2.93Å; F35-F84 PolarHBondContact O-N 3.23Å; I36-F84 HydrophobicContact CG2-CB 3.7Å; I36-F84 HydrophobicContact CG2-CD1 4.28Å; I36-F84 HydrophobicContact CG2-CG 4.15Å; Y68-F84 WeakPolarHBondContact O-CD2 3.49Å; I69-F84 HydrophobicContact CG1-CD2 4Å; F84-N86 PolarHBondContact O-N 2.78Å; F84-I89 HydrophobicContact CD1-CD1 3.65Å; F84-I89 HydrophobicContact CD1-CG1 4.49Å; F84-I89 HydrophobicContact CE1-CD1 3.14Å; F84-I89 HydrophobicContact CE1-CG1 3.56Å; F84-I89 HydrophobicContact CZ-CD1 4.07Å; F84-I89 HydrophobicContact CZ-CG1 4.2Å; F84-L114 HydrophobicContact CE1-CD1 4.19Å; F84-L114 HydrophobicContact CE2-CD1 4.27Å; F84-L114 HydrophobicContact CZ-CD1 3.41Å; F84-L114 VanDerWaalsContact CZ-CD1 3.41Å; F84-L114 HydrophobicContact CZ-CG 4.04Å; F84-V117 HydrophobicContact CD2-CG1 3.52Å; F84-V117 HydrophobicContact CE2-CB 4.19Å; F84-V117 HydrophobicContact CE2-CG1 3.42Å; F84-V117 VanDerWaalsContact CE2-CG1 3.42Å; F84-L121 HydrophobicContact CB-CD1 3.94Å; F84-L121 HydrophobicContact CD2-CD1 4.22Å; F84-L121 HydrophobicContact CG-CD1 4.21Å
85N68.6Low66.9Low50 Ų5045.3 Ų45.327%0.26723%0.231SC..  trans-77.8105.2-178-81.9-21.8000110.5S67 Y68 E70 L87S67-N85 PolarHBondContact O-ND2 3.48Å; Y68-N85 PolarHBondContact O-N 2.91Å; E70-N85 PolarHBondContact OE1-ND2 2.89Å; N85-L87 PolarHBondContact O-N 3.26Å
86N59.2Low65.3Low9 Ų943 Ų435%0.04822%0.216CC..G310 helixtrans-79.6-2.6-165-162.563.6000116.2G37 E38 F84 E88 I89G37-N86 WeakPolarHBondContact O-CB 3.48Å; G37-N86 PolarHBondContact O-ND2 3.1Å; G37-N86 PolarHBondContact O-OD1 2.93Å; G37-N86 VanDerWaalsContact O-OD1 3.13Å; E38-N86 WeakPolarHBondContact CA-ND2 3.21Å; F84-N86 PolarHBondContact O-N 2.78Å; N86-E88 PolarHBondContact O-N 2.93Å; N86-I89 PolarHBondContact O-N 2.67Å; N86-I89 VanDerWaalsContact O-N 3.08Å; N86-I89 WeakPolarHBondContact OD1-CB 3.41Å; N86-I89 WeakPolarHBondContact OD1-CD1 3.13Å; N86-I89 VanDerWaalsContact OD1-CG2 3.26Å; N86-I89 WeakPolarHBondContact OD1-CG2 3.22Å
87L52.1Low63.6Low145 Ų14544.1 Ų44.176%0.75923%0.225SC*.G310 helixtrans-57.1-24.2-172.8-72.4173.8000113.4N85N85-L87 PolarHBondContact O-N 3.26Å
88E49.6Very low61.9Low85 Ų8547.6 Ų47.640%0.39724%0.237SC..G310 helixtrans-95.9-22.6179.6-70.5168.8172.100114.1Y68 N86 E90 S91 L92 L114Y68-E88 WeakPolarHBondContact CE1-OE2 3.3Å; N86-E88 PolarHBondContact O-N 2.93Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 2.83Å; E88-S91 WeakPolarHBondContact O-CB 3.37Å; E88-S91 PolarHBondContact O-N 2.91Å; E88-S91 VanDerWaalsContact O-N 3.12Å; E88-S91 PolarHBondContact O-OG 3.31Å; E88-L92 PolarHBondContact O-N 3.23Å; E88-L114 HydrophobicContact CB-CD1 4.32Å
89I48Very low59.9Low3 Ų350 Ų502%0.01525%0.252CS..Hα-helixtrans-64.2-37.2178.6-87.6-174.9000111.8F84 N86 S91 L92 F93 L114 L118F84-I89 HydrophobicContact CD1-CD1 3.65Å; F84-I89 HydrophobicContact CD1-CG1 4.49Å; F84-I89 HydrophobicContact CE1-CD1 3.14Å; F84-I89 HydrophobicContact CE1-CG1 3.56Å; F84-I89 HydrophobicContact CZ-CD1 4.07Å; F84-I89 HydrophobicContact CZ-CG1 4.2Å; N86-I89 PolarHBondContact O-N 2.67Å; N86-I89 VanDerWaalsContact O-N 3.08Å; N86-I89 WeakPolarHBondContact OD1-CB 3.41Å; N86-I89 WeakPolarHBondContact OD1-CD1 3.13Å; N86-I89 VanDerWaalsContact OD1-CG2 3.26Å; N86-I89 WeakPolarHBondContact OD1-CG2 3.22Å; I89-S91 PolarHBondContact O-N 3.48Å; I89-L92 WeakPolarHBondContact O-CB 3.4Å; I89-L92 PolarHBondContact O-N 3.11Å; I89-F93 HydrophobicContact CB-CE2 4.48Å; I89-F93 HydrophobicContact CG2-CD2 3.2Å; I89-F93 HydrophobicContact CG2-CE2 2.97Å; I89-F93 HydrophobicContact CG2-CG 4.18Å; I89-F93 HydrophobicContact CG2-CZ 3.78Å; I89-F93 PolarHBondContact O-N 3.36Å; I89-L114 HydrophobicContact CD1-CD2 3.93Å; I89-L114 HydrophobicContact CG1-CD1 3.95Å; I89-L114 HydrophobicContact CG1-CD2 3.28Å; I89-L114 HydrophobicContact CG1-CG 4.17Å; I89-L118 HydrophobicContact CD1-CD2 4.43Å
90E47.3Very low57.7Low64 Ų6454.8 Ų54.830%0.29927%0.274SS..Hα-helixtrans-56.3-34.8175.9-95.9-163.8-156.600111.8E88 K94E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 2.83Å; E90-K94 WeakPolarHBondContact O-CB 3.49Å; E90-K94 WeakPolarHBondContact O-CD 3.33Å; E90-K94 WeakPolarHBondContact O-CG 3.38Å; E90-K94 PolarHBondContact O-N 3.03Å; E90-K94 IonicContact OE2-NZ 2.84Å; E90-K94 PolarHBondContact OE2-NZ 3.11Å
91S48.1Very low55.4Low63 Ų6361.8 Ų61.844%0.44131%0.307SS..Hα-helixtrans-65.9-43.917682.30000111.2E88 I89 K94 E95E88-S91 WeakPolarHBondContact O-CB 3.37Å; E88-S91 PolarHBondContact O-N 2.91Å; E88-S91 VanDerWaalsContact O-N 3.12Å; E88-S91 PolarHBondContact O-OG 3.31Å; I89-S91 PolarHBondContact O-N 3.48Å; S91-K94 PolarHBondContact O-N 2.83Å; S91-E95 WeakPolarHBondContact O-CB 3.38Å; S91-E95 PolarHBondContact O-N 3.4Å
92L46.5Very low53.2Low17 Ų1764.6 Ų64.69%0.08932%0.321CS..Hα-helixtrans-64-46.2177.8-72.6-176.9000112.2E88 I89 E95 C96 F110 L114E88-L92 PolarHBondContact O-N 3.23Å; I89-L92 WeakPolarHBondContact O-CB 3.4Å; I89-L92 PolarHBondContact O-N 3.11Å; L92-E95 PolarHBondContact O-N 3.42Å; L92-C96 VanDerWaalsContact O-CB 3.25Å; L92-C96 WeakPolarHBondContact O-CB 3.49Å; L92-C96 PolarHBondContact O-N 2.79Å; L92-C96 PolarHBondContact O-SG 3.26Å; L92-F110 HydrophobicContact CD2-CD1 4.33Å; L92-F110 HydrophobicContact CD2-CE1 4.38Å; L92-L114 HydrophobicContact CD1-CB 3.89Å; L92-L114 HydrophobicContact CD1-CD2 3.09Å; L92-L114 HydrophobicContact CD1-CG 3.99Å; L92-L114 HydrophobicContact CG-CD2 4.35Å
93F48.5Very low50.7Low19 Ų1965.7 Ų65.78%0.08333%0.326CS..Hα-helixtrans-65.6-39.4178.6-68.7-41.4000111.7I89 E95 C96 N97 N138 D140 F141 I144I89-F93 HydrophobicContact CB-CE2 4.48Å; I89-F93 HydrophobicContact CG2-CD2 3.2Å; I89-F93 HydrophobicContact CG2-CE2 2.97Å; I89-F93 HydrophobicContact CG2-CG 4.18Å; I89-F93 HydrophobicContact CG2-CZ 3.78Å; I89-F93 PolarHBondContact O-N 3.36Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 2.77Å; F93-C96 PolarHBondContact O-N 3.39Å; F93-N97 PolarHBondContact O-N 2.81Å; F93-N138 WeakPolarHBondContact CB-ND2 3.33Å; F93-N138 WeakPolarHBondContact CD1-ND2 3.4Å; F93-N138 WeakPolarHBondContact CD2-ND2 3.47Å; F93-N138 WeakPolarHBondContact CG-ND2 3.48Å; F93-D140 HydrophobicContact CD1-CB 3.21Å; F93-D140 VanDerWaalsContact CD1-OD2 3.22Å; F93-D140 WeakPolarHBondContact CD1-OD2 3.17Å; F93-D140 HydrophobicContact CE1-CB 3.29Å; F93-D140 HydrophobicContact CG-CB 4.34Å; F93-D140 HydrophobicContact CZ-CB 4.45Å; F93-F141 HydrophobicContact CE2-CE1 4.48Å; F93-F141 HydrophobicContact CE2-CE2 4.36Å; F93-F141 HydrophobicContact CE2-CZ 4.06Å; F93-F141 HydrophobicContact CZ-CD1 4.16Å; F93-F141 HydrophobicContact CZ-CD2 4.43Å; F93-F141 AromaticContact CZ-CE1 3.83Å; F93-F141 HydrophobicContact CZ-CE1 3.83Å; F93-F141 HydrophobicContact CZ-CE2 4.12Å; F93-F141 HydrophobicContact CZ-CG 4.44Å; F93-F141 AromaticContact CZ-CZ 3.8Å; F93-F141 HydrophobicContact CZ-CZ 3.8Å; F93-I144 HydrophobicContact CD1-CD1 4.48Å; F93-I144 HydrophobicContact CE1-CD1 3.59Å; F93-I144 HydrophobicContact CZ-CD1 4.24Å
94K47Very low48.6Very low127 Ų12770.7 Ų70.755%0.55235%0.349SS*.Hα-helixtrans-66.3-32.7174.1-76.3169.1176.6159.60112.6E90 S91E90-K94 WeakPolarHBondContact O-CB 3.49Å; E90-K94 WeakPolarHBondContact O-CD 3.33Å; E90-K94 WeakPolarHBondContact O-CG 3.38Å; E90-K94 PolarHBondContact O-N 3.03Å; E90-K94 IonicContact OE2-NZ 2.84Å; E90-K94 PolarHBondContact OE2-NZ 3.11Å; S91-K94 PolarHBondContact O-N 2.83Å
95E45.5Very low46.5Very low69 Ų6977.6 Ų77.632%0.32238%0.379SS..Hα-helixtrans-77.8-36.1175.1-101178.8155.500112.8S91 L92 F93 N97 K98 T106S91-E95 WeakPolarHBondContact O-CB 3.38Å; S91-E95 PolarHBondContact O-N 3.4Å; L92-E95 PolarHBondContact O-N 3.42Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 2.77Å; E95-N97 PolarHBondContact O-N 2.82Å; E95-K98 PolarHBondContact O-N 3.44Å; E95-T106 HydrophobicContact CB-CG2 4.09Å; E95-T106 HydrophobicContact CG-CG2 4.16Å
96C42.5Very low45Very low15 Ų1576 Ų7610%0.10137%0.371CS..Hα-helixtrans-62.1-26.8-179.7-80.10000113.7L92 F93 W103L92-C96 VanDerWaalsContact O-CB 3.25Å; L92-C96 WeakPolarHBondContact O-CB 3.49Å; L92-C96 PolarHBondContact O-N 2.79Å; L92-C96 PolarHBondContact O-SG 3.26Å; F93-C96 PolarHBondContact O-N 3.39Å; C96-W103 HydrophobicContact CB-CE3 4.37Å; C96-W103 HydrophobicContact CB-CH2 4.41Å; C96-W103 HydrophobicContact CB-CZ3 3.55Å; C96-W103 VanDerWaalsContact SG-CH2 3.57Å; C96-W103 WeakPolarHBondContact SG-CZ3 3.32Å
97N42.3Very low44.1Very low131 Ų13177 Ų7770%0.70138%0.376SS*.THydrogen-bonded Turntrans-95.1-7.4-172.3-149.212.9000113.8F93 E95F93-N97 PolarHBondContact O-N 2.81Å; E95-N97 PolarHBondContact O-N 2.82Å
98K43.4Very low43.8Very low135 Ų13579.3 Ų79.359%0.58738%0.38SS*.SBendtrans-95.9109.5176.4-65.2179.9-177.5179.20108E95 I102E95-K98 PolarHBondContact O-N 3.44Å; K98-I102 HydrophobicContact CB-CD1 4.31Å; K98-I102 VanDerWaalsContact O-CB 3.24Å; K98-I102 WeakPolarHBondContact O-CB 3.37Å; K98-I102 WeakPolarHBondContact O-CG2 3.37Å
99D42.2Very low43.5Very low116 Ų11684.9 Ų84.962%0.6240%0.397SS*.  trans48.9129.4170.1-54.6-42.6000118.9E101 I102 W103D99-E101 PolarHBondContact O-N 3.27Å; D99-E101 VanDerWaalsContact O-N 3.15Å; D99-I102 HydrophobicContact CB-CB 4.07Å; D99-I102 HydrophobicContact CB-CD1 3.84Å; D99-I102 HydrophobicContact CB-CG1 3.9Å; D99-I102 CarbonylContact O-C 3.54Å; D99-I102 WeakPolarHBondContact O-CA 3.34Å; D99-I102 WeakPolarHBondContact O-CB 3.34Å; D99-I102 PolarHBondContact O-N 2.76Å; D99-I102 WeakPolarHBondContact OD2-CD1 3.43Å; D99-W103 PolarHBondContact O-N 2.91Å
100H41.5Very low43.5Very low99 Ų9986.4 Ų86.446%0.45840%0.404SS..Hα-helixtrans-60.5-26.9175.5-162.3-59.4000113.1W103 N456H100-W103 VanDerWaalsContact O-CB 3.26Å; H100-W103 WeakPolarHBondContact O-CB 3.06Å; H100-W103 PolarHBondContact O-N 3.37Å; H100-N456 PolarHBondContact CE1-ND2 2.81Å; H100-N456 VanDerWaalsContact CE1-ND2 3.26Å
101E42.7Very low44Very low148 Ų14886.1 Ų86.169%0.69240%0.404SS*.Hα-helixtrans-75.7-32.2175.3-154.5-173.7178.100111.7D99 W103 K105D99-E101 PolarHBondContact O-N 3.27Å; D99-E101 VanDerWaalsContact O-N 3.15Å; E101-W103 VanDerWaalsContact C-N 3.32Å; E101-K105 PolarHBondContact O-N 3.18Å
102I42.3Very low45.1Very low58 Ų5886.4 Ų86.430%0.29740%0.396SS..Hα-helixtrans-70.6-30.7169.4-67.2174.2000109.1K98 D99 E104 K105 T106K98-I102 HydrophobicContact CB-CD1 4.31Å; K98-I102 VanDerWaalsContact O-CB 3.24Å; K98-I102 WeakPolarHBondContact O-CB 3.37Å; K98-I102 WeakPolarHBondContact O-CG2 3.37Å; D99-I102 HydrophobicContact CB-CB 4.07Å; D99-I102 HydrophobicContact CB-CD1 3.84Å; D99-I102 HydrophobicContact CB-CG1 3.9Å; D99-I102 CarbonylContact O-C 3.54Å; D99-I102 WeakPolarHBondContact O-CA 3.34Å; D99-I102 WeakPolarHBondContact O-CB 3.34Å; D99-I102 PolarHBondContact O-N 2.76Å; D99-I102 WeakPolarHBondContact OD2-CD1 3.43Å; I102-E104 VanDerWaalsContact C-N 3.29Å; I102-E104 PolarHBondContact O-N 3.34Å; I102-K105 CarbonylContact O-C 3.59Å; I102-K105 PolarHBondContact O-N 2.67Å; I102-K105 VanDerWaalsContact O-N 3.16Å; I102-T106 WeakPolarHBondContact CG2-OG1 3.32Å; I102-T106 WeakPolarHBondContact O-CA 3.45Å; I102-T106 WeakPolarHBondContact O-CB 3.23Å; I102-T106 PolarHBondContact O-N 2.84Å; I102-T106 PolarHBondContact O-OG1 2.83Å
103W38.5Very low46.5Very low24 Ų2487 Ų879%0.09140%0.401CS..Hα-helixtrans-53-44.8173.1-170.8-96.1000112.7C96 D99 H100 E101 L107 F110 R143C96-W103 HydrophobicContact CB-CE3 4.37Å; C96-W103 HydrophobicContact CB-CH2 4.41Å; C96-W103 HydrophobicContact CB-CZ3 3.55Å; C96-W103 VanDerWaalsContact SG-CH2 3.57Å; C96-W103 WeakPolarHBondContact SG-CZ3 3.32Å; D99-W103 PolarHBondContact O-N 2.91Å; H100-W103 VanDerWaalsContact O-CB 3.26Å; H100-W103 WeakPolarHBondContact O-CB 3.06Å; H100-W103 PolarHBondContact O-N 3.37Å; E101-W103 VanDerWaalsContact C-N 3.32Å; W103-L107 HydrophobicContact CD2-CD1 4.37Å; W103-L107 HydrophobicContact CG-CD1 4.29Å; W103-L107 HydrophobicContact CZ2-CD1 4.38Å; W103-L107 VanDerWaalsContact NE1-CD1 3.33Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 VanDerWaalsContact O-CD1 3.32Å; W103-L107 WeakPolarHBondContact O-CD1 3.48Å; W103-L107 PolarHBondContact O-N 2.95Å; W103-F110 HydrophobicContact CH2-CZ 4Å; W103-F110 HydrophobicContact CZ2-CZ 4.12Å; W103-R143 VanDerWaalsContact CH2-CD 3.44Å
104E41.1Very low47.7Very low105 Ų10586.3 Ų86.349%0.49140%0.398SS..Hα-helixtrans-71.5-40.1176.9-74.3-161.7-177.800113.4I102 L107 N456I102-E104 VanDerWaalsContact C-N 3.29Å; I102-E104 PolarHBondContact O-N 3.34Å; E104-L107 WeakPolarHBondContact O-CB 3.41Å; E104-L107 PolarHBondContact O-N 2.83Å; E104-N456 PolarHBondContact OE1-ND2 3.41Å
105K40.2Very low49.3Very low148 Ų14880.9 Ų80.964%0.64338%0.375SS*.Hα-helixtrans-69.4-42176.8-84.1175.6177.7161.40112.2E101 I102 L107 K108E101-K105 PolarHBondContact O-N 3.18Å; I102-K105 CarbonylContact O-C 3.59Å; I102-K105 PolarHBondContact O-N 2.67Å; I102-K105 VanDerWaalsContact O-N 3.16Å; K105-L107 VanDerWaalsContact C-N 3.3Å; K105-K108 WeakPolarHBondContact O-CB 3.26Å; K105-K108 PolarHBondContact O-N 2.84Å
106T36.3Very low51.3Low16 Ų1678.7 Ų78.710%0.09836%0.364CS..Hα-helixtrans-70.4-26.1175.8-60.10000111.1E95 I102 K108 R109 F110E95-T106 HydrophobicContact CB-CG2 4.09Å; E95-T106 HydrophobicContact CG-CG2 4.16Å; I102-T106 WeakPolarHBondContact CG2-OG1 3.32Å; I102-T106 WeakPolarHBondContact O-CA 3.45Å; I102-T106 WeakPolarHBondContact O-CB 3.23Å; I102-T106 PolarHBondContact O-N 2.84Å; I102-T106 PolarHBondContact O-OG1 2.83Å; T106-K108 PolarHBondContact O-N 3.45Å; T106-K108 VanDerWaalsContact O-N 3.12Å; T106-R109 HydrophobicContact CG2-CB 4.41Å; T106-R109 CarbonylContact O-C 3.58Å; T106-R109 VanDerWaalsContact O-CA 3.24Å; T106-R109 WeakPolarHBondContact O-CA 3.37Å; T106-R109 VanDerWaalsContact O-CB 3.25Å; T106-R109 WeakPolarHBondContact O-CB 3.46Å; T106-R109 PolarHBondContact O-N 3.43Å; T106-F110 HydrophobicContact CG2-CD2 4.46Å; T106-F110 HydrophobicContact CG2-CE2 4.46Å; T106-F110 WeakPolarHBondContact O-CD2 3.43Å; T106-F110 PolarHBondContact O-N 2.84Å
107L41.1Very low53.4Low31 Ų3178 Ų7816%0.16236%0.359CS..Hα-helixtrans-55.3-30.4168.7-122.792.1000113.5W103 E104 K105 R109 F110 Y112 L420W103-L107 HydrophobicContact CD2-CD1 4.37Å; W103-L107 HydrophobicContact CG-CD1 4.29Å; W103-L107 HydrophobicContact CZ2-CD1 4.38Å; W103-L107 VanDerWaalsContact NE1-CD1 3.33Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 VanDerWaalsContact O-CD1 3.32Å; W103-L107 WeakPolarHBondContact O-CD1 3.48Å; W103-L107 PolarHBondContact O-N 2.95Å; E104-L107 WeakPolarHBondContact O-CB 3.41Å; E104-L107 PolarHBondContact O-N 2.83Å; K105-L107 VanDerWaalsContact C-N 3.3Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 2.8Å; L107-F110 HydrophobicContact CB-CD2 4.47Å; L107-F110 HydrophobicContact CD1-CD2 4.13Å; L107-F110 HydrophobicContact CD1-CE2 3.71Å; L107-F110 HydrophobicContact CD1-CZ 4.4Å; L107-F110 HydrophobicContact CG-CD2 4.12Å; L107-F110 HydrophobicContact CG-CE2 4.23Å; L107-Y112 PolarHBondContact O-OH 2.88Å; L107-Y112 VanDerWaalsContact O-OH 3.13Å; L107-L420 HydrophobicContact CD2-CD1 3.55Å; L107-L420 HydrophobicContact CD2-CD2 3.29Å; L107-L420 HydrophobicContact CD2-CG 4.06Å
108K44.1Very low55.6Low193 Ų19372 Ų7284%0.83933%0.327SS*.THydrogen-bonded Turntrans-74.3-16.5172-63-175.4177.1179.10113.5K105 T106K105-K108 WeakPolarHBondContact O-CB 3.26Å; K105-K108 PolarHBondContact O-N 2.84Å; T106-K108 PolarHBondContact O-N 3.45Å; T106-K108 VanDerWaalsContact O-N 3.12Å
109R44.3Very low57.8Low201 Ų20165.8 Ų65.876%0.75830%0.3SS*.THydrogen-bonded Turntrans-97.4-11.7178.2-163.377.7179.8-171.23.4113.1T106 L107 D111T106-R109 HydrophobicContact CG2-CB 4.41Å; T106-R109 CarbonylContact O-C 3.58Å; T106-R109 VanDerWaalsContact O-CA 3.24Å; T106-R109 WeakPolarHBondContact O-CA 3.37Å; T106-R109 VanDerWaalsContact O-CB 3.25Å; T106-R109 WeakPolarHBondContact O-CB 3.46Å; T106-R109 PolarHBondContact O-N 3.43Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 2.8Å; R109-D111 PolarHBondContact O-N 3.39Å
110F47.7Very low60.3Low36 Ų3660.2 Ų60.216%0.15827%0.271CS..  trans-54134.8-171.5-105.8-103.2000113.2L92 W103 T106 L107 Y112L92-F110 HydrophobicContact CD2-CD1 4.33Å; L92-F110 HydrophobicContact CD2-CE1 4.38Å; W103-F110 HydrophobicContact CH2-CZ 4Å; W103-F110 HydrophobicContact CZ2-CZ 4.12Å; T106-F110 HydrophobicContact CG2-CD2 4.46Å; T106-F110 HydrophobicContact CG2-CE2 4.46Å; T106-F110 WeakPolarHBondContact O-CD2 3.43Å; T106-F110 PolarHBondContact O-N 2.84Å; L107-F110 HydrophobicContact CB-CD2 4.47Å; L107-F110 HydrophobicContact CD1-CD2 4.13Å; L107-F110 HydrophobicContact CD1-CE2 3.71Å; L107-F110 HydrophobicContact CD1-CZ 4.4Å; L107-F110 HydrophobicContact CG-CD2 4.12Å; L107-F110 HydrophobicContact CG-CE2 4.23Å; F110-Y112 HydrophobicContact CB-CE1 4.4Å; F110-Y112 WeakPolarHBondContact O-CD2 3.42Å; F110-Y112 PolarHBondContact O-N 2.65Å
111D58.9Low62.8Low57 Ų5755.7 Ų55.731%0.30525%0.25SC..  trans-77.479.5164.7-151.6-17.5000108.8R109 T113 L114R109-D111 PolarHBondContact O-N 3.39Å; D111-T113 PolarHBondContact O-N 3.07Å; D111-T113 WeakPolarHBondContact OD1-CB 3.32Å; D111-T113 PolarHBondContact OD1-OG1 3.35Å; D111-L114 PolarHBondContact O-N 3.03Å
112Y69.4Low65.2Low70 Ų7048.8 Ų48.828%0.27522%0.217SC..Hα-helixtrans-50-27.2174.8-66-71.7000111.8L107 F110 L114 L115 K116 W412 L416L107-Y112 PolarHBondContact O-OH 2.88Å; L107-Y112 VanDerWaalsContact O-OH 3.13Å; F110-Y112 HydrophobicContact CB-CE1 4.4Å; F110-Y112 WeakPolarHBondContact O-CD2 3.42Å; F110-Y112 PolarHBondContact O-N 2.65Å; Y112-L114 VanDerWaalsContact C-N 3.29Å; Y112-L114 PolarHBondContact O-N 2.78Å; Y112-L115 PolarHBondContact O-N 3.47Å; Y112-K116 WeakPolarHBondContact O-CB 3.46Å; Y112-K116 VanDerWaalsContact O-CG 3.22Å; Y112-K116 WeakPolarHBondContact O-CG 3.43Å; Y112-K116 PolarHBondContact O-N 2.93Å; Y112-W412 HydrophobicContact CD1-CH2 4.27Å; Y112-W412 AromaticContact CD1-CZ3 3.96Å; Y112-W412 HydrophobicContact CD1-CZ3 3.96Å; Y112-W412 HydrophobicContact CG-CZ3 4.48Å; Y112-L416 HydrophobicContact CD1-CD2 3.74Å; Y112-L416 HydrophobicContact CE1-CD2 3.36Å
113T76Confident67.6Low30 Ų3046.2 Ų46.218%0.18420%0.204CC..Hα-helixtrans-54.3-45.1173.8-36.60000111.4Y68 D111 K116 V117 I375Y68-T113 HydrophobicContact CD2-CG2 4.25Å; Y68-T113 HydrophobicContact CE1-CG2 4.41Å; Y68-T113 HydrophobicContact CE2-CG2 3.46Å; Y68-T113 VanDerWaalsContact CE2-CG2 3.46Å; D111-T113 PolarHBondContact O-N 3.07Å; D111-T113 WeakPolarHBondContact OD1-CB 3.32Å; D111-T113 PolarHBondContact OD1-OG1 3.35Å; T113-K116 WeakPolarHBondContact O-CB 3.09Å; T113-K116 PolarHBondContact O-N 2.81Å; T113-V117 WeakPolarHBondContact O-CG2 3.08Å; T113-V117 PolarHBondContact O-N 2.89Å; T113-I375 HydrophobicContact CG2-CG2 4.24Å
114L75.5Confident70.3Confident3 Ų345.1 Ų45.12%0.01620%0.2CC..Hα-helixtrans-68.7-43-177.4-160.7108.4000112.8F84 E88 I89 L92 D111 Y112 K116 V117 L118F84-L114 HydrophobicContact CE1-CD1 4.19Å; F84-L114 HydrophobicContact CE2-CD1 4.27Å; F84-L114 HydrophobicContact CZ-CD1 3.41Å; F84-L114 VanDerWaalsContact CZ-CD1 3.41Å; F84-L114 HydrophobicContact CZ-CG 4.04Å; E88-L114 HydrophobicContact CB-CD1 4.32Å; I89-L114 HydrophobicContact CD1-CD2 3.93Å; I89-L114 HydrophobicContact CG1-CD1 3.95Å; I89-L114 HydrophobicContact CG1-CD2 3.28Å; I89-L114 HydrophobicContact CG1-CG 4.17Å; L92-L114 HydrophobicContact CD1-CB 3.89Å; L92-L114 HydrophobicContact CD1-CD2 3.09Å; L92-L114 HydrophobicContact CD1-CG 3.99Å; L92-L114 HydrophobicContact CG-CD2 4.35Å; D111-L114 PolarHBondContact O-N 3.03Å; Y112-L114 VanDerWaalsContact C-N 3.29Å; Y112-L114 PolarHBondContact O-N 2.78Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.78Å; L114-V117 WeakPolarHBondContact O-CB 3.35Å; L114-V117 PolarHBondContact O-N 2.8Å; L114-V117 VanDerWaalsContact O-N 3.11Å; L114-L118 HydrophobicContact CD2-CD1 4.12Å; L114-L118 PolarHBondContact O-N 3.5Å
115L80.1Confident72.8Confident14 Ų1440.1 Ų40.17%0.07318%0.177CC..Hα-helixtrans-66-35.2177.6-169.165.5000111Y112 Y119 I144 L147 L148 W412 L416Y112-L115 PolarHBondContact O-N 3.47Å; L115-Y119 VanDerWaalsContact O-CB 3.29Å; L115-Y119 WeakPolarHBondContact O-CB 3.13Å; L115-Y119 PolarHBondContact O-N 2.82Å; L115-I144 HydrophobicContact CD1-CG2 4Å; L115-L147 HydrophobicContact CD1-CD2 4.33Å; L115-L147 HydrophobicContact CD2-CD2 3.52Å; L115-L147 HydrophobicContact CD2-CG 4.1Å; L115-L148 HydrophobicContact CD1-CD2 3.72Å; L115-L148 HydrophobicContact CD1-CG 4.18Å; L115-L148 HydrophobicContact CG-CD2 4.12Å; L115-W412 HydrophobicContact CB-CH2 4.06Å; L115-W412 HydrophobicContact CB-CZ2 4.07Å; L115-W412 HydrophobicContact CD2-CH2 3.84Å; L115-W412 HydrophobicContact CD2-CZ2 3.83Å; L115-W412 HydrophobicContact CG-CH2 4.14Å; L115-W412 HydrophobicContact CG-CZ2 3.83Å; L115-L416 HydrophobicContact CD2-CD1 3.82Å
116K87.1Confident75.4Confident22 Ų2233.1 Ų33.110%0.09615%0.147CC..Hα-helixtrans-62.3-42.1169.8-75.3170.8171.5-165.40111.8Y112 T113 L114 Y119 F120 L374 I375 S409 W412Y112-K116 WeakPolarHBondContact O-CB 3.46Å; Y112-K116 VanDerWaalsContact O-CG 3.22Å; Y112-K116 WeakPolarHBondContact O-CG 3.43Å; Y112-K116 PolarHBondContact O-N 2.93Å; T113-K116 WeakPolarHBondContact O-CB 3.09Å; T113-K116 PolarHBondContact O-N 2.81Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.78Å; K116-Y119 PolarHBondContact O-N 2.85Å; K116-F120 VanDerWaalsContact O-CB 3.28Å; K116-F120 WeakPolarHBondContact O-CB 3.39Å; K116-F120 PolarHBondContact O-N 2.81Å; K116-L374 HydrophobicContact CB-CD2 4.12Å; K116-L374 HydrophobicContact CB-CG 4.19Å; K116-L374 WeakPolarHBondContact CD-O 3.44Å; K116-L374 HydrophobicContact CG-CG 4.26Å; K116-L374 PolarHBondContact NZ-O 3.47Å; K116-L374 VanDerWaalsContact NZ-O 3.11Å; K116-L374 WeakPolarHBondContact O-CD2 3.44Å; K116-I375 HydrophobicContact CB-CG1 4.36Å; K116-S409 PolarHBondContact NZ-OG 3.07Å; K116-W412 HydrophobicContact CD-CE3 4.32Å; K116-W412 HydrophobicContact CD-CZ3 4.49Å; K116-W412 HydrophobicContact CG-CD2 3.75Å; K116-W412 HydrophobicContact CG-CE3 3.83Å; K116-W412 HydrophobicContact CG-CG 4.38Å; K116-W412 HydrophobicContact CG-CH2 3.94Å; K116-W412 HydrophobicContact CG-CZ2 3.87Å; K116-W412 HydrophobicContact CG-CZ3 3.94Å
117V86.9Confident78.2Confident0 Ų032.4 Ų32.40%014%0.142CC..Hα-helixtrans-65.1-45.1177.6174.40000110.9Y68 I69 F84 T113 L114 F120 L121 I375Y68-V117 HydrophobicContact CD2-CG2 4.09Å; Y68-V117 HydrophobicContact CG-CG2 4.06Å; I69-V117 HydrophobicContact CD1-CG1 3.51Å; I69-V117 HydrophobicContact CG1-CG1 3.69Å; F84-V117 HydrophobicContact CD2-CG1 3.52Å; F84-V117 HydrophobicContact CE2-CB 4.19Å; F84-V117 HydrophobicContact CE2-CG1 3.42Å; F84-V117 VanDerWaalsContact CE2-CG1 3.42Å; T113-V117 WeakPolarHBondContact O-CG2 3.08Å; T113-V117 PolarHBondContact O-N 2.89Å; L114-V117 WeakPolarHBondContact O-CB 3.35Å; L114-V117 PolarHBondContact O-N 2.8Å; L114-V117 VanDerWaalsContact O-N 3.11Å; V117-F120 WeakPolarHBondContact O-CB 3.41Å; V117-F120 PolarHBondContact O-N 2.85Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.67Å; V117-I375 HydrophobicContact CG2-CD1 3.68Å
118L87.3Confident80.6Confident6 Ų631 Ų313%0.03114%0.135CC..Hα-helixtrans-60.3-48.8174.1-72173.5000111I36 I89 L114 F120 L121 F122 I144 L148I36-L118 HydrophobicContact CG2-CD2 4.16Å; I89-L118 HydrophobicContact CD1-CD2 4.43Å; L114-L118 HydrophobicContact CD2-CD1 4.12Å; L114-L118 PolarHBondContact O-N 3.5Å; L118-F120 VanDerWaalsContact C-N 3.28Å; L118-F120 PolarHBondContact O-N 2.77Å; L118-L121 WeakPolarHBondContact O-CB 3.43Å; L118-L121 PolarHBondContact O-N 2.74Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-F122 WeakPolarHBondContact O-CD2 3.44Å; L118-F122 PolarHBondContact O-N 2.69Å; L118-F122 VanDerWaalsContact O-N 3.1Å; L118-I144 HydrophobicContact CD1-CG2 4Å; L118-L148 HydrophobicContact CB-CD1 4.04Å
119Y91.2Very high82.8Confident4 Ų421.9 Ų21.92%0.01610%0.095CC..Hα-helixtrans-54.5-45.6175178.9-108.9000111.9L115 K116 L121 F122 V123 L148 R152 M155 I159 L374 W412L115-Y119 VanDerWaalsContact O-CB 3.29Å; L115-Y119 WeakPolarHBondContact O-CB 3.13Å; L115-Y119 PolarHBondContact O-N 2.82Å; K116-Y119 PolarHBondContact O-N 2.85Å; Y119-L121 PolarHBondContact O-N 3.04Å; Y119-F122 PolarHBondContact O-N 3.5Å; Y119-V123 HydrophobicContact CD1-CG2 4.38Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.17Å; Y119-V123 WeakPolarHBondContact O-CG2 3.19Å; Y119-V123 PolarHBondContact O-N 2.95Å; Y119-V123 VanDerWaalsContact O-N 3.13Å; Y119-L148 HydrophobicContact CD2-CD2 4.18Å; Y119-L148 HydrophobicContact CG-CD2 4.43Å; Y119-R152 HydrophobicContact CE2-CB 4.13Å; Y119-M155 HydrophobicContact CE1-CB 4.25Å; Y119-M155 HydrophobicContact CE1-CG 4.46Å; Y119-M155 WeakPolarHBondContact OH-CB 3.47Å; Y119-I159 HydrophobicContact CE1-CD1 3.81Å; Y119-I159 WeakPolarHBondContact OH-CD1 3.49Å; Y119-L374 HydrophobicContact CD1-CD1 4.49Å; Y119-L374 HydrophobicContact CD1-CD2 3.91Å; Y119-W412 AromaticContact CD1-CD1 3.9Å; Y119-W412 AromaticContact CD1-NE1 3.81Å; Y119-W412 AromaticContact CG-NE1 3.89Å
120F93.6Very high84.9Confident0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-56.9-46.1175.6165.5-94.4000112V14 I69 K116 V117 L118 F122 V123 V124 I370 Y371 L374V14-F120 HydrophobicContact CG1-CE1 4Å; V14-F120 HydrophobicContact CG1-CZ 3.97Å; I69-F120 HydrophobicContact CD1-CD1 3.6Å; I69-F120 HydrophobicContact CD1-CE1 3.67Å; K116-F120 VanDerWaalsContact O-CB 3.28Å; K116-F120 WeakPolarHBondContact O-CB 3.39Å; K116-F120 PolarHBondContact O-N 2.81Å; V117-F120 WeakPolarHBondContact O-CB 3.41Å; V117-F120 PolarHBondContact O-N 2.85Å; L118-F120 VanDerWaalsContact C-N 3.28Å; L118-F120 PolarHBondContact O-N 2.77Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 2.99Å; F120-V123 WeakPolarHBondContact O-CB 3.24Å; F120-V123 PolarHBondContact O-N 3.49Å; F120-V124 HydrophobicContact CD1-CG2 4.37Å; F120-V124 HydrophobicContact CD2-CG1 4.1Å; F120-V124 HydrophobicContact CE1-CG2 3.85Å; F120-V124 HydrophobicContact CE2-CG1 3.59Å; F120-V124 HydrophobicContact CE2-CG2 4.32Å; F120-V124 HydrophobicContact CZ-CB 4.45Å; F120-V124 HydrophobicContact CZ-CG1 3.87Å; F120-V124 HydrophobicContact CZ-CG2 3.82Å; F120-V124 WeakPolarHBondContact O-CG2 3.26Å; F120-V124 PolarHBondContact O-N 2.75Å; F120-V124 VanDerWaalsContact O-N 3.1Å; F120-I370 HydrophobicContact CD2-CB 4.43Å; F120-I370 HydrophobicContact CD2-CG2 3.91Å; F120-I370 HydrophobicContact CE2-CB 4.35Å; F120-I370 HydrophobicContact CE2-CG2 4.31Å; F120-Y371 AromaticContact CD1-CD2 3.95Å; F120-Y371 HydrophobicContact CD1-CD2 3.95Å; F120-Y371 HydrophobicContact CD2-CD2 4.2Å; F120-Y371 AromaticContact CE1-CD2 3.83Å; F120-Y371 HydrophobicContact CE1-CD2 3.83Å; F120-Y371 HydrophobicContact CE2-CD2 4.08Å; F120-Y371 HydrophobicContact CE2-CG 4.39Å; F120-Y371 HydrophobicContact CG-CD2 4.14Å; F120-Y371 AromaticContact CZ-CD2 3.89Å; F120-Y371 HydrophobicContact CZ-CD2 3.89Å; F120-Y371 HydrophobicContact CZ-CG 4.46Å; F120-L374 HydrophobicContact CB-CD2 4.01Å
121L93.6Very high86.6Confident3 Ų310.6 Ų10.62%0.0165%0.052CC..Hα-helixtrans-59-42.4176.8-67.1172.7000111.6I36 I69 L82 F84 V117 L118 Y119 V123 V124 S125I36-L121 HydrophobicContact CG2-CD1 3.78Å; I69-L121 HydrophobicContact CD1-CD1 4.46Å; I69-L121 HydrophobicContact CD1-CD2 3.51Å; I69-L121 HydrophobicContact CD1-CG 3.94Å; I69-L121 HydrophobicContact CG1-CD2 4.18Å; L82-L121 HydrophobicContact CB-CD2 4.25Å; L82-L121 HydrophobicContact CD1-CD2 3.91Å; F84-L121 HydrophobicContact CB-CD1 3.94Å; F84-L121 HydrophobicContact CD2-CD1 4.22Å; F84-L121 HydrophobicContact CG-CD1 4.21Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.67Å; L118-L121 WeakPolarHBondContact O-CB 3.43Å; L118-L121 PolarHBondContact O-N 2.74Å; L118-L121 VanDerWaalsContact O-N 3.1Å; Y119-L121 PolarHBondContact O-N 3.04Å; L121-V123 PolarHBondContact O-N 3.42Å; L121-V124 PolarHBondContact O-N 3Å; L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 3.13Å; L121-S125 VanDerWaalsContact O-N 3.11Å; L121-S125 PolarHBondContact O-OG 2.89Å
122F93.9Very high87.8Confident4 Ų47.9 Ų7.92%0.0184%0.037CC..Hα-helixtrans-65.7-21.6175.5-83.5-90.1000114L118 Y119 F120 I128 F145 L148 P181 L232 L233L118-F122 WeakPolarHBondContact O-CD2 3.44Å; L118-F122 PolarHBondContact O-N 2.69Å; L118-F122 VanDerWaalsContact O-N 3.1Å; Y119-F122 PolarHBondContact O-N 3.5Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 2.99Å; F122-I128 HydrophobicContact CB-CD1 4.47Å; F122-I128 HydrophobicContact CD1-CD1 3.55Å; F122-I128 HydrophobicContact CD2-CD1 3.82Å; F122-I128 HydrophobicContact CE1-CD1 3.55Å; F122-I128 HydrophobicContact CE2-CD1 3.84Å; F122-I128 HydrophobicContact CG-CD1 3.68Å; F122-I128 HydrophobicContact CZ-CD1 3.7Å; F122-F145 HydrophobicContact CE2-CD1 4.12Å; F122-F145 AromaticContact CE2-CE1 3.87Å; F122-F145 HydrophobicContact CE2-CE1 3.87Å; F122-F145 AromaticContact CZ-CD1 3.75Å; F122-F145 HydrophobicContact CZ-CD1 3.75Å; F122-F145 AromaticContact CZ-CE1 3.56Å; F122-F145 HydrophobicContact CZ-CE1 3.56Å; F122-F145 HydrophobicContact CZ-CZ 4.27Å; F122-L148 HydrophobicContact CD2-CD1 3.78Å; F122-L148 HydrophobicContact CE2-CD1 3.84Å; F122-P181 HydrophobicContact CD1-CG 3.67Å; F122-P181 HydrophobicContact CE1-CG 4.21Å; F122-L232 HydrophobicContact CB-CD1 4.16Å; F122-L232 HydrophobicContact CD1-CD1 3.62Å; F122-L232 HydrophobicContact CD1-CD2 4.07Å; F122-L232 HydrophobicContact CD1-CG 3.62Å; F122-L232 HydrophobicContact CE1-CD1 4.26Å; F122-L232 HydrophobicContact CE1-CD2 3.86Å; F122-L232 HydrophobicContact CE1-CG 3.76Å; F122-L232 HydrophobicContact CG-CD1 4Å; F122-L232 HydrophobicContact CG-CG 4.4Å; F122-L232 HydrophobicContact CZ-CD2 4.27Å; F122-L233 HydrophobicContact CE1-CB 4.19Å; F122-L233 HydrophobicContact CE1-CD2 3.9Å; F122-L233 HydrophobicContact CZ-CD2 4.31Å
123V93.1Very high88.2Confident4 Ų46.3 Ų6.32%0.0243%0.033CC..Hα-helixtrans-83.5-37.8177.2170.40000112Y119 F120 L121 I159 R177 A178 I370Y119-V123 HydrophobicContact CD1-CG2 4.38Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.17Å; Y119-V123 WeakPolarHBondContact O-CG2 3.19Å; Y119-V123 PolarHBondContact O-N 2.95Å; Y119-V123 VanDerWaalsContact O-N 3.13Å; F120-V123 WeakPolarHBondContact O-CB 3.24Å; F120-V123 PolarHBondContact O-N 3.49Å; L121-V123 PolarHBondContact O-N 3.42Å; V123-I159 HydrophobicContact CG1-CD1 4.23Å; V123-I159 HydrophobicContact CG2-CD1 3.87Å; V123-R177 HydrophobicContact CG1-CB 4.34Å; V123-R177 CarbonylContact O-C 3.52Å; V123-R177 WeakPolarHBondContact O-CA 3.37Å; V123-R177 WeakPolarHBondContact O-CB 3.35Å; V123-A178 PolarHBondContact O-N 2.94Å; V123-I370 HydrophobicContact CG1-CD1 4.02Å
124V94.4Very high88.5Confident0 Ų05.1 Ų5.10%03%0.026CC..Hα-helixtrans-101.1-9.3-170.7-56.60000115L82 F120 L121 W363 I370L82-V124 HydrophobicContact CD1-CG2 3.96Å; F120-V124 HydrophobicContact CD1-CG2 4.37Å; F120-V124 HydrophobicContact CD2-CG1 4.1Å; F120-V124 HydrophobicContact CE1-CG2 3.85Å; F120-V124 HydrophobicContact CE2-CG1 3.59Å; F120-V124 HydrophobicContact CE2-CG2 4.32Å; F120-V124 HydrophobicContact CZ-CB 4.45Å; F120-V124 HydrophobicContact CZ-CG1 3.87Å; F120-V124 HydrophobicContact CZ-CG2 3.82Å; F120-V124 WeakPolarHBondContact O-CG2 3.26Å; F120-V124 PolarHBondContact O-N 2.75Å; F120-V124 VanDerWaalsContact O-N 3.1Å; L121-V124 PolarHBondContact O-N 3Å; V124-W363 HydrophobicContact CB-CZ2 4.28Å; V124-W363 HydrophobicContact CG2-CZ2 4.19Å; V124-W363 PolarHBondContact O-NE1 3.23Å; V124-I370 HydrophobicContact CG1-CD1 4.41Å
125S95.1Very high88.5Confident0 Ų07.2 Ų7.20%04%0.04CC..  trans-99.6153.6-171.9-48.80000113.5S34 L121 S179S34-S125 WeakPolarHBondContact CB-OG 3.13Å; S34-S125 PolarHBondContact OG-OG 3.08Å; L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 3.13Å; L121-S125 VanDerWaalsContact O-N 3.11Å; L121-S125 PolarHBondContact O-OG 2.89Å; S125-S179 PolarHBondContact O-OG 3.46Å
126H93.7Very high88.4Confident2 Ų211.9 Ų11.91%0.0097%0.065CC..SBendtrans-102.4-31.1170.1-55.590000112.1V32 S179 P181 R182 M337V32-H126 WeakPolarHBondContact CB-ND1 3.3Å; V32-H126 PolarHBondContact N-ND1 3.23Å; V32-H126 WeakPolarHBondContact O-CA 3.37Å; V32-H126 WeakPolarHBondContact O-CB 3.39Å; V32-H126 PolarHBondContact O-N 2.8Å; H126-S179 WeakPolarHBondContact CA-OG 3.46Å; H126-S179 PolarHBondContact CD2-OG 2.8Å; H126-P181 CarbonylContact O-C 3.53Å; H126-P181 VanDerWaalsContact O-CA 3.28Å; H126-P181 WeakPolarHBondContact O-CA 3.49Å; H126-R182 PolarHBondContact O-N 3.07Å; H126-M337 HydrophobicContact CB-CE 4.11Å; H126-M337 HydrophobicContact CB-SD 3.76Å
127F94.3Very high87.9Confident1 Ų112.9 Ų12.90%0.0047%0.07CC..EExtended strand (participates in β ladder)trans-126.5144.5172.1-65.9-90.1000110T31 V32 I33 S34 R182 L184 H333 V334 M337T31-F127 HydrophobicContact CG2-CD2 3.91Å; T31-F127 HydrophobicContact CG2-CE2 3.85Å; V32-F127 PolarHBondContact O-N 3.32Å; I33-F127 HydrophobicContact CB-CB 4.29Å; I33-F127 HydrophobicContact CG1-CB 4.08Å; I33-F127 HydrophobicContact CG1-CD2 4.05Å; I33-F127 HydrophobicContact CG1-CG 4.38Å; I33-F127 HydrophobicContact CG2-CB 4.05Å; S34-F127 PolarHBondContact N-O 2.81Å; F127-R182 WeakPolarHBondContact CA-O 3.43Å; F127-R182 HydrophobicContact CD1-CB 3.6Å; F127-R182 HydrophobicContact CD1-CG 4.47Å; F127-R182 HydrophobicContact CE1-CB 3.7Å; F127-R182 HydrophobicContact CE1-CG 4.13Å; F127-L184 HydrophobicContact CD1-CD1 3.95Å; F127-L184 HydrophobicContact CD1-CG 4.37Å; F127-H333 HydrophobicContact CE1-CB 3.75Å; F127-H333 HydrophobicContact CZ-CB 4.15Å; F127-H333 WeakPolarHBondContact CZ-O 3.3Å; F127-V334 HydrophobicContact CE2-CG2 4.4Å; F127-M337 HydrophobicContact CD2-SD 4.3Å; F127-M337 HydrophobicContact CE2-CB 4.15Å; F127-M337 HydrophobicContact CE2-CE 3.71Å; F127-M337 HydrophobicContact CE2-CG 4.42Å; F127-M337 HydrophobicContact CE2-SD 3.44Å; F127-M337 WeakPolarHBondContact CE2-SD 3.14Å; F127-M337 HydrophobicContact CZ-CB 3.9Å; F127-M337 HydrophobicContact CZ-CG 4.43Å; F127-M337 HydrophobicContact CZ-SD 3.9Å
128I93.1Very high87.3Confident2 Ų214.3 Ų14.31%0.018%0.078CC..EExtended strand (participates in β ladder)trans-126.7119.8168.8-64.6178.2000107.1S34 I36 F122 P181 R182 L183 L184S34-I128 CarbonylContact O-C 3.5Å; S34-I128 VanDerWaalsContact O-CA 3.32Å; S34-I128 WeakPolarHBondContact O-CA 3.49Å; I36-I128 HydrophobicContact CD1-CG2 3.23Å; I36-I128 HydrophobicContact CG1-CG2 3.55Å; F122-I128 HydrophobicContact CB-CD1 4.47Å; F122-I128 HydrophobicContact CD1-CD1 3.55Å; F122-I128 HydrophobicContact CD2-CD1 3.82Å; F122-I128 HydrophobicContact CE1-CD1 3.55Å; F122-I128 HydrophobicContact CE2-CD1 3.84Å; F122-I128 HydrophobicContact CG-CD1 3.68Å; F122-I128 HydrophobicContact CZ-CD1 3.7Å; I128-P181 HydrophobicContact CD1-CB 3.91Å; I128-P181 HydrophobicContact CD1-CG 3.95Å; I128-P181 HydrophobicContact CG1-CB 3.94Å; I128-R182 PolarHBondContact N-O 2.88Å; I128-L183 HydrophobicContact CB-CD1 3.81Å; I128-L183 HydrophobicContact CG2-CD1 3.71Å; I128-L183 WeakPolarHBondContact O-CA 3.41Å; I128-L184 PolarHBondContact O-N 3.31Å
129V90.6Very high86.5Confident0 Ų017.1 Ų17.10%010%0.097CC..EExtended strand (participates in β ladder)trans-105.3115.7179.6-173.80000108.2I33 S34 F35 I36 L184 V186 L330I33-V129 HydrophobicContact CG2-CG2 3.8Å; S34-V129 PolarHBondContact O-N 3.18Å; F35-V129 HydrophobicContact CD1-CB 3.63Å; F35-V129 HydrophobicContact CD1-CG1 3.86Å; F35-V129 HydrophobicContact CD1-CG2 4.25Å; F35-V129 HydrophobicContact CE1-CB 3.73Å; F35-V129 HydrophobicContact CE1-CG1 3.72Å; F35-V129 HydrophobicContact CE1-CG2 3.96Å; F35-V129 HydrophobicContact CG-CB 4.46Å; F35-V129 HydrophobicContact CZ-CG2 4.43Å; I36-V129 PolarHBondContact N-O 3.41Å; V129-L184 CarbonylContact C-O 3.51Å; V129-L184 WeakPolarHBondContact CA-O 3.42Å; V129-L184 HydrophobicContact CG2-CB 4.24Å; V129-L184 HydrophobicContact CG2-CD1 4.31Å; V129-V186 HydrophobicContact CG1-CB 4.3Å; V129-V186 HydrophobicContact CG1-CG2 3.52Å; V129-L330 HydrophobicContact CG2-CD2 4.04Å
130I87.9Confident85.6Confident0 Ų017.2 Ų17.20%010%0.098CC..EExtended strand (participates in β ladder)trans-92.7116.1174.4-60.3169.4000108.7I36 F141 F145 L183 L184 F185 V186I36-I130 HydrophobicContact CD1-CD1 4.36Å; I36-I130 HydrophobicContact CD1-CG1 3.63Å; I36-I130 HydrophobicContact CG1-CG1 3.77Å; I36-I130 CarbonylContact O-C 3.56Å; I36-I130 WeakPolarHBondContact O-CA 3.13Å; I130-F141 HydrophobicContact CG2-CE2 3.91Å; I130-F141 HydrophobicContact CG2-CZ 3.9Å; I130-F145 HydrophobicContact CD1-CE2 4.02Å; I130-F145 HydrophobicContact CD1-CZ 3.7Å; I130-L183 HydrophobicContact CD1-CD1 3.77Å; I130-L183 HydrophobicContact CD1-CD2 3.96Å; I130-L183 HydrophobicContact CD1-CG 4.1Å; I130-L183 HydrophobicContact CG1-CD1 4.09Å; I130-L184 PolarHBondContact N-O 3.39Å; I130-F185 HydrophobicContact CB-CD1 3.89Å; I130-F185 HydrophobicContact CB-CE1 4.09Å; I130-F185 HydrophobicContact CD1-CD1 4.21Å; I130-F185 HydrophobicContact CD1-CE1 3.54Å; I130-F185 HydrophobicContact CD1-CZ 3.85Å; I130-F185 HydrophobicContact CG1-CE1 4.38Å; I130-F185 HydrophobicContact CG2-CD1 4.23Å; I130-F185 HydrophobicContact CG2-CE1 4.34Å; I130-F185 WeakPolarHBondContact O-CA 3.43Å; I130-V186 PolarHBondContact O-N 3.42Å
131T83.1Confident84.9Confident1 Ų117.5 Ų17.51%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-85.2123.4170-53.40000109.5I36 G37 E38 Q47 N50 V186 K188I36-T131 PolarHBondContact O-N 2.82Å; G37-T131 CarbonylContact C-O 3.47Å; G37-T131 VanDerWaalsContact CA-O 3.32Å; G37-T131 WeakPolarHBondContact CA-O 3.48Å; E38-T131 PolarHBondContact N-O 2.91Å; Q47-T131 PolarHBondContact OE1-OG1 2.79Å; N50-T131 PolarHBondContact ND2-OG1 2.87Å; T131-V186 CarbonylContact C-O 3.57Å; T131-V186 WeakPolarHBondContact CA-O 3.29Å; T131-K188 HydrophobicContact CG2-CD 3.91Å; T131-K188 HydrophobicContact CG2-CG 4.22Å
132C84.2Confident84.3Confident0 Ų017.9 Ų17.90%010%0.101CC..EExtended strand (participates in β ladder)trans-120141.2174.9-63.60000109.7V186 F187 K188C132-V186 PolarHBondContact N-O 3.34Å; C132-F187 HydrophobicContact CB-CD1 3.63Å; C132-F187 HydrophobicContact CB-CE1 3.76Å; C132-F187 HydrophobicContact CB-CG 4.38Å; C132-F187 CarbonylContact O-C 3.42Å; C132-F187 WeakPolarHBondContact O-CA 3.34Å; C132-K188 PolarHBondContact O-N 2.77Å
133I78.4Confident83.5Confident36 Ų3620 Ų2019%0.18511%0.109CC..EExtended strand (participates in β ladder)trans-94.8129.7173.6-58.4171.4000108.9E38 Y39 F42 T190E38-I133 HydrophobicContact CB-CD1 3.86Å; E38-I133 HydrophobicContact CB-CG1 3.95Å; E38-I133 WeakPolarHBondContact OE2-CB 3.41Å; E38-I133 PolarHBondContact OE2-N 3.27Å; Y39-I133 VanDerWaalsContact O-CD1 3.22Å; Y39-I133 WeakPolarHBondContact O-CD1 3.37Å; F42-I133 HydrophobicContact CD2-CG2 4.39Å; F42-I133 HydrophobicContact CE2-CG2 4.01Å; I133-T190 HydrophobicContact CG2-CG2 4.02Å
134G80.6Confident82.8Confident5 Ų520.9 Ų20.95%0.05211%0.113CC..THydrogen-bonded Turntrans79.9-150.7-173.900000113.1F187 K188 M189G134-F187 VanDerWaalsContact O-CD1 3.25Å; G134-F187 WeakPolarHBondContact O-CD1 3.41Å; G134-K188 PolarHBondContact N-O 3.28Å; G134-M189 WeakPolarHBondContact O-CE 3.32Å
135T77.3Confident82.5Confident48 Ų4821 Ų2129%0.29411%0.113SC..THydrogen-bonded Turntrans-1082.1-173.1590000113.9M189 L206T135-M189 HydrophobicContact CG2-CE 4.11Å; T135-M189 HydrophobicContact CG2-SD 3.92Å; T135-L206 HydrophobicContact CG2-CD1 4.39Å; T135-L206 HydrophobicContact CG2-CD2 4.4Å
136N76.3Confident82Confident111 Ų11123.2 Ų23.259%0.59412%0.123SC*.  trans-110.3139-173.8-63.2-58.5000110.1
137I78Confident81.5Confident43 Ų4324.2 Ų24.222%0.22113%0.128CC..  trans-89.6137.8168.3-66.2165000108P139 F141 F185 F187 I214I137-P139 WeakPolarHBondContact O-CD 3.17Å; I137-F141 HydrophobicContact CG2-CD2 4.04Å; I137-F185 HydrophobicContact CD1-CD1 3.91Å; I137-F185 HydrophobicContact CD1-CE1 3.64Å; I137-F185 HydrophobicContact CD1-CZ 4.26Å; I137-F185 HydrophobicContact CG1-CD1 4.24Å; I137-F185 HydrophobicContact CG1-CE1 4.17Å; I137-F185 HydrophobicContact CG2-CE1 4.45Å; I137-F187 HydrophobicContact CD1-CZ 3.8Å; I137-F187 HydrophobicContact CG1-CE1 3.74Å; I137-F187 HydrophobicContact CG1-CZ 3.49Å; I137-F187 VanDerWaalsContact CG1-CZ 3.49Å; I137-I214 HydrophobicContact CD1-CD1 3.46Å; I137-I214 VanDerWaalsContact CD1-CD1 3.46Å; I137-I214 HydrophobicContact CD1-CG1 3.33Å
138N73Confident81.2Confident30 Ų3024.1 Ų24.116%0.1613%0.128CC..  trans-61.9117.4169.4-174.8-21000110.1F93 D140 F141F93-N138 WeakPolarHBondContact CB-ND2 3.33Å; F93-N138 WeakPolarHBondContact CD1-ND2 3.4Å; F93-N138 WeakPolarHBondContact CD2-ND2 3.47Å; F93-N138 WeakPolarHBondContact CG-ND2 3.48Å; N138-D140 PolarHBondContact O-N 3.1Å; N138-D140 VanDerWaalsContact O-N 3.12Å; N138-D140 VanDerWaalsContact OD1-CB 3.27Å; N138-D140 WeakPolarHBondContact OD1-CB 3.22Å; N138-D140 PolarHBondContact OD1-N 2.95Å; N138-D140 PolarHBondContact OD1-OD2 2.96Å; N138-F141 HydrophobicContact CB-CD2 3.92Å; N138-F141 HydrophobicContact CB-CE2 4Å; N138-F141 VanDerWaalsContact O-CD2 3.31Å; N138-F141 WeakPolarHBondContact O-CD2 3.49Å; N138-F141 PolarHBondContact O-N 3.27Å
139P72.5Confident80.9Confident65 Ų6526 Ų2642%0.42214%0.138SC..THydrogen-bonded Turntrans-62.9-19.6-177.628.3-37.2000113.5I137 F141 I142 I464I137-P139 WeakPolarHBondContact O-CD 3.17Å; P139-F141 PolarHBondContact O-N 2.89Å; P139-I142 WeakPolarHBondContact O-CB 3.23Å; P139-I142 PolarHBondContact O-N 3.49Å; P139-I464 HydrophobicContact CB-CD1 3.83Å; P139-I464 HydrophobicContact CB-CG1 4.25Å; P139-I464 HydrophobicContact CG-CD1 4.37Å
140D70.6Confident80.7Confident7 Ų731.9 Ų31.94%0.03716%0.164CC..Hα-helixtrans-62.2-25.9177.9-68.2-32.6000112.9F93 N138 I142 R143 I144F93-D140 HydrophobicContact CD1-CB 3.21Å; F93-D140 VanDerWaalsContact CD1-OD2 3.22Å; F93-D140 WeakPolarHBondContact CD1-OD2 3.17Å; F93-D140 HydrophobicContact CE1-CB 3.29Å; F93-D140 HydrophobicContact CG-CB 4.34Å; F93-D140 HydrophobicContact CZ-CB 4.45Å; N138-D140 PolarHBondContact O-N 3.1Å; N138-D140 VanDerWaalsContact O-N 3.12Å; N138-D140 VanDerWaalsContact OD1-CB 3.27Å; N138-D140 WeakPolarHBondContact OD1-CB 3.22Å; N138-D140 PolarHBondContact OD1-N 2.95Å; N138-D140 PolarHBondContact OD1-OD2 2.96Å; D140-I142 PolarHBondContact O-N 3.13Å; D140-R143 WeakPolarHBondContact O-CB 3.47Å; D140-R143 PolarHBondContact O-N 3.05Å; D140-R143 VanDerWaalsContact O-N 3.12Å; D140-I144 WeakPolarHBondContact O-CG1 3.28Å; D140-I144 PolarHBondContact O-N 2.7Å
141F79.1Confident80.6Confident5 Ų531.9 Ų31.92%0.02216%0.164CC..Hα-helixtrans-56-37.6171.6-77.5-63.1000111.8F93 I130 I137 N138 P139 R143 I144 F145F93-F141 HydrophobicContact CE2-CE1 4.48Å; F93-F141 HydrophobicContact CE2-CE2 4.36Å; F93-F141 HydrophobicContact CE2-CZ 4.06Å; F93-F141 HydrophobicContact CZ-CD1 4.16Å; F93-F141 HydrophobicContact CZ-CD2 4.43Å; F93-F141 AromaticContact CZ-CE1 3.83Å; F93-F141 HydrophobicContact CZ-CE1 3.83Å; F93-F141 HydrophobicContact CZ-CE2 4.12Å; F93-F141 HydrophobicContact CZ-CG 4.44Å; F93-F141 AromaticContact CZ-CZ 3.8Å; F93-F141 HydrophobicContact CZ-CZ 3.8Å; I130-F141 HydrophobicContact CG2-CE2 3.91Å; I130-F141 HydrophobicContact CG2-CZ 3.9Å; I137-F141 HydrophobicContact CG2-CD2 4.04Å; N138-F141 HydrophobicContact CB-CD2 3.92Å; N138-F141 HydrophobicContact CB-CE2 4Å; N138-F141 VanDerWaalsContact O-CD2 3.31Å; N138-F141 WeakPolarHBondContact O-CD2 3.49Å; N138-F141 PolarHBondContact O-N 3.27Å; P139-F141 PolarHBondContact O-N 2.89Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.11Å; F141-I144 PolarHBondContact O-N 3.35Å; F141-F145 HydrophobicContact CB-CD2 4.4Å; F141-F145 HydrophobicContact CB-CE2 3.84Å; F141-F145 HydrophobicContact CB-CZ 3.92Å; F141-F145 HydrophobicContact CD1-CE1 4.05Å; F141-F145 HydrophobicContact CD1-CE2 4.42Å; F141-F145 AromaticContact CD1-CZ 3.65Å; F141-F145 HydrophobicContact CD1-CZ 3.65Å; F141-F145 HydrophobicContact CG-CE2 4.46Å; F141-F145 HydrophobicContact CG-CZ 4.12Å; F141-F145 VanDerWaalsContact O-CB 3.32Å; F141-F145 WeakPolarHBondContact O-CB 3.23Å; F141-F145 WeakPolarHBondContact O-CD1 3.32Å; F141-F145 VanDerWaalsContact O-CD2 3.24Å; F141-F145 WeakPolarHBondContact O-CD2 2.89Å; F141-F145 WeakPolarHBondContact O-CG 3.38Å; F141-F145 PolarHBondContact O-N 3.16Å
142I81Confident80.9Confident12 Ų1232.6 Ų32.66%0.06217%0.166CC..Hα-helixtrans-64-44178.8-60.5172.1000110.2P139 D140 F145 K146 T217 F218 T221 L223 P463P139-I142 WeakPolarHBondContact O-CB 3.23Å; P139-I142 PolarHBondContact O-N 3.49Å; D140-I142 PolarHBondContact O-N 3.13Å; I142-F145 PolarHBondContact O-N 2.99Å; I142-K146 PolarHBondContact O-N 3.12Å; I142-K146 VanDerWaalsContact O-N 3.08Å; I142-T217 HydrophobicContact CD1-CG2 3.59Å; I142-F218 HydrophobicContact CG1-CE2 4.38Å; I142-T221 HydrophobicContact CG2-CG2 3.83Å; I142-L223 HydrophobicContact CB-CD1 4.29Å; I142-L223 HydrophobicContact CG1-CD1 4.39Å; I142-L223 HydrophobicContact CG2-CD1 3.9Å; I142-P463 HydrophobicContact CG2-CB 3.79Å; I142-P463 HydrophobicContact CG2-CG 4.36Å
143R77.1Confident81Confident47 Ų4737 Ų3718%0.17719%0.189CC..Hα-helixtrans-63.7-47.7178.9-173.3178.9-65.9173.44.4110.8W103 D140 F141 K146 L147 D462W103-R143 VanDerWaalsContact CH2-CD 3.44Å; D140-R143 WeakPolarHBondContact O-CB 3.47Å; D140-R143 PolarHBondContact O-N 3.05Å; D140-R143 VanDerWaalsContact O-N 3.12Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.11Å; R143-K146 PolarHBondContact O-N 3.11Å; R143-L147 PolarHBondContact O-N 2.92Å; R143-L147 VanDerWaalsContact O-N 3.12Å; R143-D462 IonicContact CZ-OD1 3.14Å; R143-D462 IonicContact NE-OD1 2.73Å; R143-D462 IonicContact NH2-OD1 3.9Å; R143-D462 PolarHBondContact NH2-OD1 3.34Å; R143-D462 IonicContact NH2-OD2 3.38Å
144I79.1Confident81.5Confident23 Ų2339 Ų3912%0.11820%0.2CC..Hα-helixtrans-62.4-45.6178.2-66.8174000110.8F93 L115 L118 D140 F141 K146 L147 L148F93-I144 HydrophobicContact CD1-CD1 4.48Å; F93-I144 HydrophobicContact CE1-CD1 3.59Å; F93-I144 HydrophobicContact CZ-CD1 4.24Å; L115-I144 HydrophobicContact CD1-CG2 4Å; L118-I144 HydrophobicContact CD1-CG2 4Å; D140-I144 WeakPolarHBondContact O-CG1 3.28Å; D140-I144 PolarHBondContact O-N 2.7Å; F141-I144 PolarHBondContact O-N 3.35Å; I144-K146 PolarHBondContact O-N 3.45Å; I144-L147 WeakPolarHBondContact O-CB 3.38Å; I144-L147 PolarHBondContact O-N 3.39Å; I144-L147 VanDerWaalsContact O-N 3.14Å; I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.1Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 3.23Å
145F87.6Confident82Confident2 Ų238.8 Ų38.81%0.00920%0.198CC..Hα-helixtrans-64.4-38.5-179.2-64.1-18.1000112.4F122 I130 F141 I142 L147 L148 D149 L183 F218 L223 L232 L233F122-F145 HydrophobicContact CE2-CD1 4.12Å; F122-F145 AromaticContact CE2-CE1 3.87Å; F122-F145 HydrophobicContact CE2-CE1 3.87Å; F122-F145 AromaticContact CZ-CD1 3.75Å; F122-F145 HydrophobicContact CZ-CD1 3.75Å; F122-F145 AromaticContact CZ-CE1 3.56Å; F122-F145 HydrophobicContact CZ-CE1 3.56Å; F122-F145 HydrophobicContact CZ-CZ 4.27Å; I130-F145 HydrophobicContact CD1-CE2 4.02Å; I130-F145 HydrophobicContact CD1-CZ 3.7Å; F141-F145 HydrophobicContact CB-CD2 4.4Å; F141-F145 HydrophobicContact CB-CE2 3.84Å; F141-F145 HydrophobicContact CB-CZ 3.92Å; F141-F145 HydrophobicContact CD1-CE1 4.05Å; F141-F145 HydrophobicContact CD1-CE2 4.42Å; F141-F145 AromaticContact CD1-CZ 3.65Å; F141-F145 HydrophobicContact CD1-CZ 3.65Å; F141-F145 HydrophobicContact CG-CE2 4.46Å; F141-F145 HydrophobicContact CG-CZ 4.12Å; F141-F145 VanDerWaalsContact O-CB 3.32Å; F141-F145 WeakPolarHBondContact O-CB 3.23Å; F141-F145 WeakPolarHBondContact O-CD1 3.32Å; F141-F145 VanDerWaalsContact O-CD2 3.24Å; F141-F145 WeakPolarHBondContact O-CD2 2.89Å; F141-F145 WeakPolarHBondContact O-CG 3.38Å; F141-F145 PolarHBondContact O-N 3.16Å; I142-F145 PolarHBondContact O-N 2.99Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.28Å; F145-L148 PolarHBondContact O-N 3Å; F145-D149 WeakPolarHBondContact O-CB 3.42Å; F145-D149 PolarHBondContact O-N 2.88Å; F145-L183 HydrophobicContact CE2-CD2 4.07Å; F145-F218 HydrophobicContact CD2-CE1 4.21Å; F145-F218 HydrophobicContact CD2-CZ 4.22Å; F145-F218 HydrophobicContact CE2-CE1 4.38Å; F145-F218 HydrophobicContact CE2-CZ 4.18Å; F145-L223 HydrophobicContact CB-CD1 4.14Å; F145-L223 HydrophobicContact CB-CD2 3.65Å; F145-L223 HydrophobicContact CD2-CD1 4.33Å; F145-L232 HydrophobicContact CB-CD2 4.02Å; F145-L232 HydrophobicContact CG-CD2 4.49Å; F145-L232 VanDerWaalsContact O-CD2 3.27Å; F145-L232 WeakPolarHBondContact O-CD2 3.26Å; F145-L233 HydrophobicContact CD2-CD2 3.98Å; F145-L233 HydrophobicContact CE2-CD2 4.36Å; F145-L233 HydrophobicContact CG-CD2 4.21Å
146K84.7Confident82.4Confident47 Ų4740.5 Ų40.520%0.20420%0.199CC..Hα-helixtrans-63.7-39.6173.1-75.6-157-174.4-172.50112.7I142 R143 I144 K150 T221 L223 P463I142-K146 PolarHBondContact O-N 3.12Å; I142-K146 VanDerWaalsContact O-N 3.08Å; R143-K146 PolarHBondContact O-N 3.11Å; I144-K146 PolarHBondContact O-N 3.45Å; K146-K150 WeakPolarHBondContact O-CG 3.24Å; K146-K150 PolarHBondContact O-N 3.48Å; K146-T221 WeakPolarHBondContact CE-O 3.22Å; K146-T221 PolarHBondContact NZ-O 3.17Å; K146-L223 HydrophobicContact CB-CD2 4.49Å; K146-L223 HydrophobicContact CG-CD2 3.64Å; K146-L223 HydrophobicContact CG-CG 4.21Å; K146-P463 HydrophobicContact CD-CB 4.31Å; K146-P463 HydrophobicContact CD-CG 3.52Å; K146-P463 HydrophobicContact CG-CG 4.43Å
147L83Confident83Confident23 Ų2341.9 Ų41.912%0.1220%0.201CC..Hα-helixtrans-62.7-49.5175.7175.652.3000110.6L115 R143 I144 F145 D149 K150 M151 L416 M419 W458L115-L147 HydrophobicContact CD1-CD2 4.33Å; L115-L147 HydrophobicContact CD2-CD2 3.52Å; L115-L147 HydrophobicContact CD2-CG 4.1Å; R143-L147 PolarHBondContact O-N 2.92Å; R143-L147 VanDerWaalsContact O-N 3.12Å; I144-L147 WeakPolarHBondContact O-CB 3.38Å; I144-L147 PolarHBondContact O-N 3.39Å; I144-L147 VanDerWaalsContact O-N 3.14Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.28Å; L147-D149 VanDerWaalsContact C-N 3.32Å; L147-D149 PolarHBondContact O-N 3Å; L147-K150 PolarHBondContact O-N 3Å; L147-M151 HydrophobicContact CD1-CG 4.2Å; L147-M151 VanDerWaalsContact O-CG 3.3Å; L147-M151 WeakPolarHBondContact O-CG 3.35Å; L147-M151 PolarHBondContact O-N 2.94Å; L147-L416 HydrophobicContact CD1-CD1 4.3Å; L147-M419 HydrophobicContact CD1-CE 3.28Å; L147-W458 HydrophobicContact CD1-CH2 4.13Å
148L87.6Confident83.5Confident0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-62.9-35.8178.5-69.2-177.6000112.8L115 L118 Y119 F122 I144 F145 M151 R152 L232L115-L148 HydrophobicContact CD1-CD2 3.72Å; L115-L148 HydrophobicContact CD1-CG 4.18Å; L115-L148 HydrophobicContact CG-CD2 4.12Å; L118-L148 HydrophobicContact CB-CD1 4.04Å; Y119-L148 HydrophobicContact CD2-CD2 4.18Å; Y119-L148 HydrophobicContact CG-CD2 4.43Å; F122-L148 HydrophobicContact CD2-CD1 3.78Å; F122-L148 HydrophobicContact CE2-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.1Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 3.23Å; F145-L148 PolarHBondContact O-N 3Å; L148-M151 PolarHBondContact O-N 3.25Å; L148-R152 VanDerWaalsContact O-CB 3.31Å; L148-R152 WeakPolarHBondContact O-CB 3.4Å; L148-R152 PolarHBondContact O-N 3.26Å; L148-L232 HydrophobicContact CB-CD1 4.37Å; L148-L232 HydrophobicContact CB-CD2 3.84Å
149D88.6Confident84.2Confident40 Ų4039.7 Ų39.721%0.21419%0.191CC..Hα-helixtrans-64.8-43.5177.9-171.541.9000112F145 L147 R152 L153 L232F145-D149 WeakPolarHBondContact O-CB 3.42Å; F145-D149 PolarHBondContact O-N 2.88Å; L147-D149 VanDerWaalsContact C-N 3.32Å; L147-D149 PolarHBondContact O-N 3Å; D149-R152 WeakPolarHBondContact O-CB 3.09Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 IonicContact OD1-CZ 2.79Å; D149-R152 IonicContact OD1-NE 3.7Å; D149-R152 PolarHBondContact OD1-NE 2.88Å; D149-R152 VanDerWaalsContact OD1-NE 3.14Å; D149-R152 IonicContact OD1-NH2 3.24Å; D149-R152 PolarHBondContact OD1-NH2 3.08Å; D149-L153 PolarHBondContact O-N 2.86Å; D149-L232 HydrophobicContact CB-CB 3.83Å; D149-L232 HydrophobicContact CB-CD2 4.29Å; D149-L232 WeakPolarHBondContact OD1-CB 3.34Å; D149-L232 PolarHBondContact OD1-N 3.49Å
150K86Confident85Confident124 Ų12439.2 Ų39.254%0.53919%0.186SC..Hα-helixtrans-66.2-43.4173.8-63178.2178.8-179.10111.7K146 L147 R152 L153 L154 M419K146-K150 WeakPolarHBondContact O-CG 3.24Å; K146-K150 PolarHBondContact O-N 3.48Å; L147-K150 PolarHBondContact O-N 3Å; K150-R152 VanDerWaalsContact C-N 3.28Å; K150-R152 PolarHBondContact O-N 2.71Å; K150-L153 PolarHBondContact O-N 2.84Å; K150-L153 VanDerWaalsContact O-N 3.14Å; K150-L154 PolarHBondContact O-N 3.12Å; K150-M419 HydrophobicContact CB-CE 3.79Å; K150-M419 HydrophobicContact CB-SD 3.28Å; K150-M419 WeakPolarHBondContact CB-SD 3.4Å; K150-M419 HydrophobicContact CD-CE 4.3Å; K150-M419 HydrophobicContact CD-SD 3.82Å; K150-M419 HydrophobicContact CG-SD 4.19Å
151M86.1Confident85.7Confident0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-58.4-40.6176.8-73.7-60.5-73.600111.9L147 L148 L153 L154 M155 W412 A415 L416 M419L147-M151 HydrophobicContact CD1-CG 4.2Å; L147-M151 VanDerWaalsContact O-CG 3.3Å; L147-M151 WeakPolarHBondContact O-CG 3.35Å; L147-M151 PolarHBondContact O-N 2.94Å; L148-M151 PolarHBondContact O-N 3.25Å; M151-L153 VanDerWaalsContact C-N 3.31Å; M151-L153 PolarHBondContact O-N 3.1Å; M151-L154 PolarHBondContact O-N 3.38Å; M151-M155 HydrophobicContact CE-CG 4.49Å; M151-M155 VanDerWaalsContact O-CB 3.25Å; M151-M155 WeakPolarHBondContact O-CB 3.36Å; M151-M155 VanDerWaalsContact O-CG 3.28Å; M151-M155 WeakPolarHBondContact O-CG 3.47Å; M151-M155 PolarHBondContact O-N 2.81Å; M151-W412 HydrophobicContact CE-CD2 3.71Å; M151-W412 HydrophobicContact CE-CE3 4.43Å; M151-W412 HydrophobicContact CE-CG 3.81Å; M151-W412 HydrophobicContact CE-CZ2 4.1Å; M151-W412 VanDerWaalsContact CE-O 3.31Å; M151-W412 WeakPolarHBondContact CE-O 3.42Å; M151-A415 HydrophobicContact CE-CB 3.94Å; M151-A415 HydrophobicContact SD-CB 4.19Å; M151-L416 HydrophobicContact CE-CB 3.84Å; M151-L416 HydrophobicContact CE-CD1 4.09Å; M151-L416 HydrophobicContact CG-CD1 4.48Å; M151-L416 HydrophobicContact SD-CB 4.07Å; M151-L416 HydrophobicContact SD-CD1 4.03Å; M151-M419 HydrophobicContact CG-CE 3.79Å; M151-M419 HydrophobicContact SD-CE 3.65Å; M151-M419 HydrophobicContact SD-SD 4.48Å
152R89.3Confident86Confident17 Ų1745.5 Ų45.56%0.06421%0.214CC..Hα-helixtrans-58-41176.3178.3-168.361.776.36112.3Y119 L148 D149 K150 L154 M155 R156 N230Y119-R152 HydrophobicContact CE2-CB 4.13Å; L148-R152 VanDerWaalsContact O-CB 3.31Å; L148-R152 WeakPolarHBondContact O-CB 3.4Å; L148-R152 PolarHBondContact O-N 3.26Å; D149-R152 WeakPolarHBondContact O-CB 3.09Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 IonicContact OD1-CZ 2.79Å; D149-R152 IonicContact OD1-NE 3.7Å; D149-R152 PolarHBondContact OD1-NE 2.88Å; D149-R152 VanDerWaalsContact OD1-NE 3.14Å; D149-R152 IonicContact OD1-NH2 3.24Å; D149-R152 PolarHBondContact OD1-NH2 3.08Å; K150-R152 VanDerWaalsContact C-N 3.28Å; K150-R152 PolarHBondContact O-N 2.71Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-M155 PolarHBondContact O-N 2.77Å; R152-R156 PolarHBondContact O-N 2.91Å; R152-N230 PolarHBondContact NH2-O 2.65Å
153L85.7Confident86.3Confident92 Ų9244.9 Ų44.948%0.48221%0.211SC..Hα-helixtrans-64.8-40.1177.5-66.5173.6000111.7D149 K150 M151D149-L153 PolarHBondContact O-N 2.86Å; K150-L153 PolarHBondContact O-N 2.84Å; K150-L153 VanDerWaalsContact O-N 3.14Å; M151-L153 VanDerWaalsContact C-N 3.31Å; M151-L153 PolarHBondContact O-N 3.1Å
154L89.2Confident86.8Confident79 Ų7950 Ų5041%0.41423%0.23SC..Hα-helixtrans-73.6-33.9178.9-63.6175.7000112.9K150 M151 R152 A415 M419K150-L154 PolarHBondContact O-N 3.12Å; M151-L154 PolarHBondContact O-N 3.38Å; R152-L154 VanDerWaalsContact C-N 3.35Å; L154-A415 HydrophobicContact CB-CB 3.88Å; L154-A415 HydrophobicContact CD1-CB 3.95Å; L154-M419 HydrophobicContact CD1-CG 3.55Å; L154-M419 HydrophobicContact CD1-SD 3.79Å
155M90.3Very high87.2Confident0 Ų053.9 Ų53.90%025%0.251CS..Hα-helixtrans-90-1.6-173.9-71-59.7-66.200114.5Y119 M151 R152 H157 P158 I159 L408 W412 A415Y119-M155 HydrophobicContact CE1-CB 4.25Å; Y119-M155 HydrophobicContact CE1-CG 4.46Å; Y119-M155 WeakPolarHBondContact OH-CB 3.47Å; M151-M155 HydrophobicContact CE-CG 4.49Å; M151-M155 VanDerWaalsContact O-CB 3.25Å; M151-M155 WeakPolarHBondContact O-CB 3.36Å; M151-M155 VanDerWaalsContact O-CG 3.28Å; M151-M155 WeakPolarHBondContact O-CG 3.47Å; M151-M155 PolarHBondContact O-N 2.81Å; R152-M155 PolarHBondContact O-N 2.77Å; M155-H157 PolarHBondContact O-N 3.48Å; M155-P158 HydrophobicContact CE-CB 3.97Å; M155-P158 HydrophobicContact CE-CG 4.48Å; M155-P158 WeakPolarHBondContact O-CD 3.41Å; M155-P158 HydrophobicContact SD-CB 4.36Å; M155-P158 HydrophobicContact SD-CG 4.23Å; M155-I159 WeakPolarHBondContact O-CG1 3.32Å; M155-I159 PolarHBondContact O-N 3.32Å; M155-L408 HydrophobicContact CE-CD1 3.56Å; M155-L408 HydrophobicContact CE-CG 4.13Å; M155-W412 HydrophobicContact CE-CB 3.7Å; M155-W412 HydrophobicContact CE-CG 4.36Å; M155-W412 WeakPolarHBondContact SD-CA 3.28Å; M155-W412 HydrophobicContact SD-CB 3.98Å; M155-W412 HydrophobicContact SD-CG 4.49Å; M155-A415 HydrophobicContact CG-CB 4.49Å; M155-A415 HydrophobicContact SD-CB 4.12Å
156R86.6Confident87.3Confident83 Ų8354.3 Ų54.331%0.31325%0.254SS..Hα-helixtrans-55.8-53-179.6-173.5179.2-176.2164.82.1112.7R152 D160 N174R152-R156 PolarHBondContact O-N 2.91Å; R156-D160 PolarHBondContact O-N 3.38Å; R156-N174 VanDerWaalsContact CZ-O 3.31Å; R156-N174 PolarHBondContact NE-O 3.07Å; R156-N174 VanDerWaalsContact NE-O 3.08Å; R156-N174 PolarHBondContact NH2-O 2.83Å
157H87.5Confident87.4Confident140 Ų14056.2 Ų56.265%0.64827%0.271SS*.Hα-helixtrans-69.5-44.1-179.7-66.4-65.9000113.2M155 I159 D160 I161M155-H157 PolarHBondContact O-N 3.48Å; H157-I159 VanDerWaalsContact C-N 3.31Å; H157-I159 PolarHBondContact O-N 2.77Å; H157-D160 PolarHBondContact O-N 3.09Å; H157-I161 PolarHBondContact O-N 3.5Å
158P89.5Confident87.7Confident26 Ų2655.9 Ų55.917%0.16927%0.269CS..Hα-helixtrans-53.9-43.2172.5-30.535.3000113.7M155 I161 Y162 L408M155-P158 HydrophobicContact CE-CB 3.97Å; M155-P158 HydrophobicContact CE-CG 4.48Å; M155-P158 WeakPolarHBondContact O-CD 3.41Å; M155-P158 HydrophobicContact SD-CB 4.36Å; M155-P158 HydrophobicContact SD-CG 4.23Å; P158-I161 PolarHBondContact O-N 2.79Å; P158-Y162 VanDerWaalsContact O-CD2 3.31Å; P158-Y162 WeakPolarHBondContact O-CD2 3.45Å; P158-L408 HydrophobicContact CB-CD1 3.65Å
159I88.3Confident87.8Confident1 Ų156.6 Ų56.61%0.00527%0.274CS..Hα-helixtrans-67.6-38.8179.1-71.4178.8000112.4Y119 V123 M155 H157 I161 Y162 T163 G176 L408Y119-I159 HydrophobicContact CE1-CD1 3.81Å; Y119-I159 WeakPolarHBondContact OH-CD1 3.49Å; V123-I159 HydrophobicContact CG1-CD1 4.23Å; V123-I159 HydrophobicContact CG2-CD1 3.87Å; M155-I159 WeakPolarHBondContact O-CG1 3.32Å; M155-I159 PolarHBondContact O-N 3.32Å; H157-I159 VanDerWaalsContact C-N 3.31Å; H157-I159 PolarHBondContact O-N 2.77Å; I159-I161 PolarHBondContact O-N 3.05Å; I159-Y162 PolarHBondContact O-N 2.86Å; I159-T163 HydrophobicContact CG2-CG2 3.86Å; I159-T163 WeakPolarHBondContact O-CG2 3.34Å; I159-T163 PolarHBondContact O-N 3.1Å; I159-T163 VanDerWaalsContact O-N 3.14Å; I159-T163 PolarHBondContact O-OG1 3.1Å; I159-G176 WeakPolarHBondContact CG2-O 3.22Å; I159-L408 HydrophobicContact CG1-CD1 4.09Å; I159-L408 HydrophobicContact CG1-CD2 4.48Å
160D87.4Confident87.6Confident56 Ų5663.9 Ų63.930%0.29930%0.298SS..Hα-helixtrans-55-42.2179.1-179.948.6000111.4R156 H157 Y162 T163 R164R156-D160 PolarHBondContact O-N 3.38Å; H157-D160 PolarHBondContact O-N 3.09Å; D160-Y162 PolarHBondContact O-N 3.25Å; D160-Y162 VanDerWaalsContact O-N 3.16Å; D160-T163 WeakPolarHBondContact CA-OG1 3.23Å; D160-T163 PolarHBondContact O-N 3.25Å; D160-T163 PolarHBondContact O-OG1 2.88Å; D160-R164 WeakPolarHBondContact O-CB 3.49Å; D160-R164 PolarHBondContact O-N 3.44Å
161I86.8Confident87.4Confident80 Ų8060.7 Ų60.741%0.4129%0.287SS..Hα-helixtrans-54.8-38.2177-62.4168.7000112.3H157 P158 I159H157-I161 PolarHBondContact O-N 3.5Å; P158-I161 PolarHBondContact O-N 2.79Å; I159-I161 PolarHBondContact O-N 3.05Å
162Y84.5Confident87.6Confident63 Ų6360.8 Ų60.825%0.24729%0.287CS..Hα-helixtrans-87.6-13.8-177.9-72.9-93.3000113.9P158 I159 D160 L408P158-Y162 VanDerWaalsContact O-CD2 3.31Å; P158-Y162 WeakPolarHBondContact O-CD2 3.45Å; I159-Y162 PolarHBondContact O-N 2.86Å; D160-Y162 PolarHBondContact O-N 3.25Å; D160-Y162 VanDerWaalsContact O-N 3.16Å; Y162-L408 HydrophobicContact CD2-CB 4.08Å; Y162-L408 HydrophobicContact CD2-CD1 4.06Å; Y162-L408 HydrophobicContact CD2-CD2 4.38Å; Y162-L408 HydrophobicContact CD2-CG 4.41Å; Y162-L408 HydrophobicContact CE2-CB 3.62Å; Y162-L408 HydrophobicContact CE2-CD1 4.15Å; Y162-L408 HydrophobicContact CE2-CG 4.37Å; Y162-L408 PolarHBondContact OH-N 3.13Å; Y162-L408 VanDerWaalsContact OH-N 3.15Å
163T88Confident87.5Confident0 Ų061.7 Ų61.70%029%0.293CS..Hα-helixtrans-111.9-25.7-172.453.30000113.8I159 D160 D165 L166 L168 L173 I370I159-T163 HydrophobicContact CG2-CG2 3.86Å; I159-T163 WeakPolarHBondContact O-CG2 3.34Å; I159-T163 PolarHBondContact O-N 3.1Å; I159-T163 VanDerWaalsContact O-N 3.14Å; I159-T163 PolarHBondContact O-OG1 3.1Å; D160-T163 WeakPolarHBondContact CA-OG1 3.23Å; D160-T163 PolarHBondContact O-N 3.25Å; D160-T163 PolarHBondContact O-OG1 2.88Å; T163-D165 PolarHBondContact O-N 2.97Å; T163-D165 VanDerWaalsContact O-N 3.1Å; T163-L166 VanDerWaalsContact O-CB 3.3Å; T163-L166 WeakPolarHBondContact O-CB 3.27Å; T163-L166 PolarHBondContact O-N 3.4Å; T163-L168 HydrophobicContact CG2-CD1 4.3Å; T163-L173 WeakPolarHBondContact O-CD2 3.43Å; T163-I370 HydrophobicContact CG2-CD1 3.78Å; T163-I370 HydrophobicContact CG2-CG1 3.95Å
164R87.5Confident87.4Confident153 Ų15362.2 Ų62.258%0.57730%0.297SS*.THydrogen-bonded Turntrans-56.5-28.1-177.174.5-171.4-174171.9-2.3115.1D160 L166D160-R164 WeakPolarHBondContact O-CB 3.49Å; D160-R164 PolarHBondContact O-N 3.44Å; R164-L166 VanDerWaalsContact C-N 3.28Å
165D87.4Confident87.2Confident105 Ų10560.2 Ų60.256%0.56129%0.286SS*.THydrogen-bonded Turntrans-84-4.9-179.3-44.8-22.9000112.6T163T163-D165 PolarHBondContact O-N 2.97Å; T163-D165 VanDerWaalsContact O-N 3.1Å
166L89Confident87.1Confident12 Ų1260.4 Ų60.46%0.06329%0.288CS..SBendtrans-94.6151.5-177.2-62.4177.9000111.4T163 R164 L168 M365 A366T163-L166 VanDerWaalsContact O-CB 3.3Å; T163-L166 WeakPolarHBondContact O-CB 3.27Å; T163-L166 PolarHBondContact O-N 3.4Å; R164-L166 VanDerWaalsContact C-N 3.28Å; L166-L168 HydrophobicContact CB-CD1 3.94Å; L166-L168 HydrophobicContact CB-CG 3.85Å; L166-L168 HydrophobicContact CD1-CD1 4.08Å; L166-L168 PolarHBondContact O-N 3.39Å; L166-M365 HydrophobicContact CD2-CB 4.06Å; L166-A366 HydrophobicContact CD1-CB 3.82Å
167P86.9Confident87.3Confident86 Ų8656.6 Ų56.656%0.55827%0.274SS*.  trans-76.659.2177.633.7-36.6000111.6A362 M365P167-A362 HydrophobicContact CG-CB 4.09Å; P167-A362 WeakPolarHBondContact O-CB 3.23Å; P167-M365 VanDerWaalsContact CD-CE 3.49Å; P167-M365 HydrophobicContact CG-CE 3.45Å; P167-M365 VanDerWaalsContact CG-CE 3.45Å
168L89.5Confident87.4Confident17 Ų1750.1 Ų50.19%0.08924%0.244CC..  trans-96.1154.4-178.5-67172.1000112T163 L166 W172 L173 A362 A366T163-L168 HydrophobicContact CG2-CD1 4.3Å; L166-L168 HydrophobicContact CB-CD1 3.94Å; L166-L168 HydrophobicContact CB-CG 3.85Å; L166-L168 HydrophobicContact CD1-CD1 4.08Å; L166-L168 PolarHBondContact O-N 3.39Å; L168-W172 HydrophobicContact CB-CB 4.47Å; L168-W172 HydrophobicContact CD1-CD2 4.21Å; L168-W172 HydrophobicContact CD1-CG 4.35Å; L168-W172 HydrophobicContact CD2-CD2 4.12Å; L168-W172 HydrophobicContact CD2-CE3 3.76Å; L168-W172 HydrophobicContact CD2-CH2 4.34Å; L168-W172 HydrophobicContact CD2-CZ3 3.86Å; L168-L173 HydrophobicContact CB-CD2 4.04Å; L168-L173 HydrophobicContact CB-CG 4.22Å; L168-L173 HydrophobicContact CD1-CD2 4.15Å; L168-A362 HydrophobicContact CD2-CB 4.04Å; L168-A366 HydrophobicContact CD1-CB 3.94Å; L168-A366 HydrophobicContact CD2-CB 3.89Å; L168-A366 HydrophobicContact CG-CB 4.44Å
169P89.1Confident87.4Confident15 Ų1549 Ų4910%0.09724%0.238CC..  trans-54.7145.9171.2-24.634.4000112.5D171 W172 L173 E356 P358P169-D171 VanDerWaalsContact C-N 3.27Å; P169-D171 PolarHBondContact O-N 2.85Å; P169-W172 WeakPolarHBondContact O-CB 3.4Å; P169-W172 PolarHBondContact O-N 3.42Å; P169-L173 PolarHBondContact O-N 2.56Å; P169-E356 HydrophobicContact CB-CB 4.03Å; P169-E356 HydrophobicContact CB-CG 4.08Å; P169-E356 WeakPolarHBondContact CB-O 3.16Å; P169-E356 HydrophobicContact CG-CG 4.26Å; P169-E356 WeakPolarHBondContact CG-O 3.48Å; P169-P358 HydrophobicContact CG-CB 4.24Å
170R84.4Confident87.5Confident193 Ų19349.7 Ų49.773%0.72824%0.241SC*.Hα-helixtrans-58.3-38.7-179.4-73.4-175.6-81.5-152.7-4.2112.6W172 L173 N174R170-W172 PolarHBondContact O-N 3.28Å; R170-L173 PolarHBondContact O-N 3.4Å; R170-N174 WeakPolarHBondContact O-CB 3.27Å; R170-N174 PolarHBondContact O-N 3.33Å; R170-N174 PolarHBondContact O-ND2 3.32Å
171D83.5Confident87.8Confident56 Ų5647.1 Ų47.130%0.29923%0.227SC..Hα-helixtrans-65-31.5178.6-55.1-46.1000112.2P169 N175 Y355P169-D171 VanDerWaalsContact C-N 3.27Å; P169-D171 PolarHBondContact O-N 2.85Å; D171-N175 VanDerWaalsContact O-CB 3.32Å; D171-N175 WeakPolarHBondContact O-CB 3.36Å; D171-N175 PolarHBondContact O-N 3.11Å; D171-N175 VanDerWaalsContact O-N 3.17Å; D171-N175 PolarHBondContact O-ND2 3.39Å; D171-Y355 HydrophobicContact CB-CD1 3.91Å; D171-Y355 HydrophobicContact CB-CE1 4.34Å
172W89.3Confident88.1Confident2 Ų245 Ų451%0.00821%0.214CC..Hα-helixtrans-66.8-53.6174.4-169-31.4000110.1L168 P169 R170 N174 N175 G176 R177 A178 P358 W363 A366L168-W172 HydrophobicContact CB-CB 4.47Å; L168-W172 HydrophobicContact CD1-CD2 4.21Å; L168-W172 HydrophobicContact CD1-CG 4.35Å; L168-W172 HydrophobicContact CD2-CD2 4.12Å; L168-W172 HydrophobicContact CD2-CE3 3.76Å; L168-W172 HydrophobicContact CD2-CH2 4.34Å; L168-W172 HydrophobicContact CD2-CZ3 3.86Å; P169-W172 WeakPolarHBondContact O-CB 3.4Å; P169-W172 PolarHBondContact O-N 3.42Å; R170-W172 PolarHBondContact O-N 3.28Å; W172-N174 VanDerWaalsContact C-N 3.33Å; W172-N174 PolarHBondContact O-N 3.44Å; W172-N175 PolarHBondContact O-N 3.12Å; W172-G176 WeakPolarHBondContact O-CA 3Å; W172-G176 PolarHBondContact O-N 3.06Å; W172-R177 VanDerWaalsContact CA-O 3.25Å; W172-R177 WeakPolarHBondContact CA-O 3.23Å; W172-R177 PolarHBondContact O-N 2.8Å; W172-A178 HydrophobicContact CD2-CB 3.88Å; W172-A178 HydrophobicContact CE3-CB 3.7Å; W172-A178 HydrophobicContact CH2-CB 3.73Å; W172-A178 HydrophobicContact CZ2-CB 3.87Å; W172-A178 HydrophobicContact CZ3-CB 3.65Å; W172-P358 HydrophobicContact CE3-CB 4.15Å; W172-P358 HydrophobicContact CE3-CG 4.39Å; W172-P358 HydrophobicContact CZ3-CB 3.79Å; W172-P358 HydrophobicContact CZ3-CG 3.83Å; W172-W363 AromaticContact CH2-CD1 3.59Å; W172-W363 HydrophobicContact CH2-CG 4.48Å; W172-W363 AromaticContact CZ3-CD1 3.84Å; W172-A366 HydrophobicContact CH2-CB 4.17Å; W172-A366 HydrophobicContact CZ2-CB 4.11Å
173L87.1Confident88.5Confident37 Ų3742.1 Ų42.119%0.19420%0.203CC..Hα-helixtrans-57.6-46.2-179.7-62.5178.7000111.4T163 L168 P169 R170 N175 G176T163-L173 WeakPolarHBondContact O-CD2 3.43Å; L168-L173 HydrophobicContact CB-CD2 4.04Å; L168-L173 HydrophobicContact CB-CG 4.22Å; L168-L173 HydrophobicContact CD1-CD2 4.15Å; P169-L173 PolarHBondContact O-N 2.56Å; R170-L173 PolarHBondContact O-N 3.4Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.12Å; L173-G176 PolarHBondContact O-N 3.1Å
174N84.3Confident88.7Confident103 Ų10342.1 Ų42.155%0.55120%0.203SC*.Hα-helixtrans-62-38.7180-70-18.5000112.7R156 R170 W172R156-N174 VanDerWaalsContact CZ-O 3.31Å; R156-N174 PolarHBondContact NE-O 3.07Å; R156-N174 VanDerWaalsContact NE-O 3.08Å; R156-N174 PolarHBondContact NH2-O 2.83Å; R170-N174 WeakPolarHBondContact O-CB 3.27Å; R170-N174 PolarHBondContact O-N 3.33Å; R170-N174 PolarHBondContact O-ND2 3.32Å; W172-N174 VanDerWaalsContact C-N 3.33Å; W172-N174 PolarHBondContact O-N 3.44Å
175N84.9Confident88.9Confident36 Ų3634.9 Ų34.919%0.19318%0.175CC..Hα-helixtrans-97-10.1-174.6-65.7-48.4000114.1D171 W172 L173 R177D171-N175 VanDerWaalsContact O-CB 3.32Å; D171-N175 WeakPolarHBondContact O-CB 3.36Å; D171-N175 PolarHBondContact O-N 3.11Å; D171-N175 VanDerWaalsContact O-N 3.17Å; D171-N175 PolarHBondContact O-ND2 3.39Å; W172-N175 PolarHBondContact O-N 3.12Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.12Å; N175-R177 VanDerWaalsContact C-N 3.28Å; N175-R177 HydrophobicContact CB-CG 4.22Å; N175-R177 PolarHBondContact O-N 3.42Å
176G86.7Confident89Confident4 Ų429.9 Ų29.94%0.04115%0.149CC..THydrogen-bonded Turntrans69.319.7-174.500000114.4I159 W172 L173I159-G176 WeakPolarHBondContact CG2-O 3.22Å; W172-G176 WeakPolarHBondContact O-CA 3Å; W172-G176 PolarHBondContact O-N 3.06Å; L173-G176 PolarHBondContact O-N 3.1Å
177R91.6Very high88.9Confident4 Ų429.3 Ų29.32%0.01515%0.146CC..SBendtrans-160155.4-179.161.9179.5175.3-179.4-12.8112.1V123 W172 N175 S179 I180 Q231 L232V123-R177 HydrophobicContact CG1-CB 4.34Å; V123-R177 CarbonylContact O-C 3.52Å; V123-R177 WeakPolarHBondContact O-CA 3.37Å; V123-R177 WeakPolarHBondContact O-CB 3.35Å; W172-R177 VanDerWaalsContact CA-O 3.25Å; W172-R177 WeakPolarHBondContact CA-O 3.23Å; W172-R177 PolarHBondContact O-N 2.8Å; N175-R177 VanDerWaalsContact C-N 3.28Å; N175-R177 HydrophobicContact CB-CG 4.22Å; N175-R177 PolarHBondContact O-N 3.42Å; R177-S179 WeakPolarHBondContact CD-O 3.45Å; R177-S179 WeakPolarHBondContact CG-O 3.26Å; R177-S179 PolarHBondContact O-N 3.07Å; R177-I180 VanDerWaalsContact CZ-CG1 3.5Å; R177-Q231 VanDerWaalsContact CZ-O 3.26Å; R177-Q231 PolarHBondContact NH1-O 3.36Å; R177-Q231 PolarHBondContact NH2-O 3.47Å; R177-L232 PolarHBondContact NH1-O 3.48Å
178A89.6Confident88.6Confident3 Ų325.8 Ų25.83%0.02512%0.122CC..SBendtrans-57.1-45.5-177.800000113.2V123 W172V123-A178 PolarHBondContact O-N 2.94Å; W172-A178 HydrophobicContact CD2-CB 3.88Å; W172-A178 HydrophobicContact CE3-CB 3.7Å; W172-A178 HydrophobicContact CH2-CB 3.73Å; W172-A178 HydrophobicContact CZ2-CB 3.87Å; W172-A178 HydrophobicContact CZ3-CB 3.65Å
179S89.7Confident88.2Confident4 Ų425.5 Ų25.53%0.02812%0.12CC..  trans-161.8177.4176.365.90000110S125 H126 R177 P181S125-S179 PolarHBondContact O-OG 3.46Å; H126-S179 WeakPolarHBondContact CA-OG 3.46Å; H126-S179 PolarHBondContact CD2-OG 2.8Å; R177-S179 WeakPolarHBondContact CD-O 3.45Å; R177-S179 WeakPolarHBondContact CG-O 3.26Å; R177-S179 PolarHBondContact O-N 3.07Å; S179-P181 WeakPolarHBondContact O-CD 3.25Å
180I90.5Very high87.5Confident15 Ų1526.3 Ų26.38%0.07713%0.125CC..  trans-77.3110.2157.1-61.1154.3000107.1R177 R182 M234 Y355R177-I180 VanDerWaalsContact CZ-CG1 3.5Å; I180-R182 PolarHBondContact O-N 2.76Å; I180-M234 HydrophobicContact CB-CG 4.4Å; I180-M234 HydrophobicContact CG2-CB 4.34Å; I180-M234 HydrophobicContact CG2-CG 3.6Å; I180-Y355 HydrophobicContact CB-CE2 4.35Å; I180-Y355 HydrophobicContact CD1-CE2 4.36Å; I180-Y355 WeakPolarHBondContact CD1-OH 3.31Å; I180-Y355 HydrophobicContact CG1-CE2 4.36Å; I180-Y355 VanDerWaalsContact CG1-OH 3.23Å; I180-Y355 WeakPolarHBondContact CG1-OH 3.38Å
181P93.9Very high86.7Confident1 Ų118.3 Ų18.31%0.00610%0.098CC..PPolyproline II helixtrans-63135-176.423.7-33.5000111.5F122 H126 I128 S179 L232 L233 M234F122-P181 HydrophobicContact CD1-CG 3.67Å; F122-P181 HydrophobicContact CE1-CG 4.21Å; H126-P181 CarbonylContact O-C 3.53Å; H126-P181 VanDerWaalsContact O-CA 3.28Å; H126-P181 WeakPolarHBondContact O-CA 3.49Å; I128-P181 HydrophobicContact CD1-CB 3.91Å; I128-P181 HydrophobicContact CD1-CG 3.95Å; I128-P181 HydrophobicContact CG1-CB 3.94Å; S179-P181 WeakPolarHBondContact O-CD 3.25Å; P181-L232 WeakPolarHBondContact CD-O 3.37Å; P181-L233 WeakPolarHBondContact O-CA 3.41Å; P181-M234 PolarHBondContact O-N 2.94Å; P181-M234 VanDerWaalsContact O-N 3.09Å
182R91.9Very high85.9Confident37 Ų3717.9 Ų17.914%0.1410%0.102CC..EExtended strand (participates in β ladder)trans-76.8123.1169.5-69.3177.2-178.6-166.84.9108.9H126 F127 I128 I180 M234 P236 Q340H126-R182 PolarHBondContact O-N 3.07Å; F127-R182 WeakPolarHBondContact CA-O 3.43Å; F127-R182 HydrophobicContact CD1-CB 3.6Å; F127-R182 HydrophobicContact CD1-CG 4.47Å; F127-R182 HydrophobicContact CE1-CB 3.7Å; F127-R182 HydrophobicContact CE1-CG 4.13Å; I128-R182 PolarHBondContact N-O 2.88Å; I180-R182 PolarHBondContact O-N 2.76Å; R182-M234 WeakPolarHBondContact CA-O 3.39Å; R182-P236 HydrophobicContact CB-CG 4.22Å; R182-P236 HydrophobicContact CG-CB 4.43Å; R182-Q340 VanDerWaalsContact NH2-CD 3.28Å
183L93.7Very high85Confident1 Ų120.3 Ų20.31%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-92.8121.8-178.8-164.172000110.2I128 I130 F145 F185 F218 L233 M234 L235 P236I128-L183 HydrophobicContact CB-CD1 3.81Å; I128-L183 HydrophobicContact CG2-CD1 3.71Å; I128-L183 WeakPolarHBondContact O-CA 3.41Å; I130-L183 HydrophobicContact CD1-CD1 3.77Å; I130-L183 HydrophobicContact CD1-CD2 3.96Å; I130-L183 HydrophobicContact CD1-CG 4.1Å; I130-L183 HydrophobicContact CG1-CD1 4.09Å; F145-L183 HydrophobicContact CE2-CD2 4.07Å; L183-F185 HydrophobicContact CD2-CE2 3.65Å; L183-F185 HydrophobicContact CD2-CZ 3.55Å; L183-F185 HydrophobicContact CG-CE2 3.93Å; L183-F185 HydrophobicContact CG-CZ 4.17Å; L183-F218 HydrophobicContact CD2-CE1 3.81Å; L183-F218 HydrophobicContact CD2-CZ 4.24Å; L183-L233 HydrophobicContact CB-CD1 4.11Å; L183-L233 HydrophobicContact CD2-CD1 4.04Å; L183-L233 HydrophobicContact CD2-CD2 3.93Å; L183-M234 PolarHBondContact N-O 2.63Å; L183-L235 HydrophobicContact CB-CD2 4.17Å; L183-L235 HydrophobicContact CD2-CD2 4.42Å; L183-P236 WeakPolarHBondContact O-CD 3.44Å
184L93.2Very high84.1Confident1 Ų119.2 Ų19.21%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-116.8150.2177.5-55.9179.4000109.5F127 I128 V129 I130 P236 F240 F329 L330 H333F127-L184 HydrophobicContact CD1-CD1 3.95Å; F127-L184 HydrophobicContact CD1-CG 4.37Å; I128-L184 PolarHBondContact O-N 3.31Å; V129-L184 CarbonylContact C-O 3.51Å; V129-L184 WeakPolarHBondContact CA-O 3.42Å; V129-L184 HydrophobicContact CG2-CB 4.24Å; V129-L184 HydrophobicContact CG2-CD1 4.31Å; I130-L184 PolarHBondContact N-O 3.39Å; L184-P236 HydrophobicContact CD2-CG 3.53Å; L184-F240 CarbonylContact C-O 3.52Å; L184-F240 WeakPolarHBondContact CA-O 3.47Å; L184-F240 HydrophobicContact CD2-CB 3.92Å; L184-F329 HydrophobicContact CB-CE1 4.23Å; L184-F329 HydrophobicContact CB-CZ 4.4Å; L184-F329 HydrophobicContact CD1-CE1 4.06Å; L184-F329 HydrophobicContact CD1-CZ 4.45Å; L184-F329 HydrophobicContact CD2-CZ 4.19Å; L184-L330 HydrophobicContact CD1-CD2 4.02Å; L184-H333 HydrophobicContact CD1-CB 4.34Å; L184-H333 WeakPolarHBondContact CD2-NE2 3.45Å
185F91Very high83.5Confident0 Ų019.7 Ų19.70%011%0.106CC..EExtended strand (participates in β ladder)trans-122.9132.3178-66.4-98.4000110.7I130 I137 L183 F187 I214 F218 L235 F240 V241 H242I130-F185 HydrophobicContact CB-CD1 3.89Å; I130-F185 HydrophobicContact CB-CE1 4.09Å; I130-F185 HydrophobicContact CD1-CD1 4.21Å; I130-F185 HydrophobicContact CD1-CE1 3.54Å; I130-F185 HydrophobicContact CD1-CZ 3.85Å; I130-F185 HydrophobicContact CG1-CE1 4.38Å; I130-F185 HydrophobicContact CG2-CD1 4.23Å; I130-F185 HydrophobicContact CG2-CE1 4.34Å; I130-F185 WeakPolarHBondContact O-CA 3.43Å; I137-F185 HydrophobicContact CD1-CD1 3.91Å; I137-F185 HydrophobicContact CD1-CE1 3.64Å; I137-F185 HydrophobicContact CD1-CZ 4.26Å; I137-F185 HydrophobicContact CG1-CD1 4.24Å; I137-F185 HydrophobicContact CG1-CE1 4.17Å; I137-F185 HydrophobicContact CG2-CE1 4.45Å; L183-F185 HydrophobicContact CD2-CE2 3.65Å; L183-F185 HydrophobicContact CD2-CZ 3.55Å; L183-F185 HydrophobicContact CG-CE2 3.93Å; L183-F185 HydrophobicContact CG-CZ 4.17Å; F185-F187 HydrophobicContact CB-CD2 4.11Å; F185-F187 HydrophobicContact CB-CE2 3.52Å; F185-F187 HydrophobicContact CB-CZ 4.33Å; F185-F187 HydrophobicContact CD1-CE2 4.42Å; F185-F187 HydrophobicContact CD1-CZ 4.42Å; F185-F187 HydrophobicContact CG-CE2 4.25Å; F185-I214 HydrophobicContact CD1-CD1 4.34Å; F185-I214 HydrophobicContact CD2-CD1 3.92Å; F185-I214 HydrophobicContact CE2-CD1 4.15Å; F185-I214 HydrophobicContact CE2-CG2 3.96Å; F185-I214 HydrophobicContact CG-CD1 4.01Å; F185-I214 HydrophobicContact CZ-CD1 4.45Å; F185-I214 HydrophobicContact CZ-CG2 4.2Å; F185-F218 AromaticContact CZ-CZ 3.97Å; F185-F218 HydrophobicContact CZ-CZ 3.97Å; F185-L235 HydrophobicContact CE2-CD2 4.19Å; F185-F240 AromaticContact CD2-CD2 3.96Å; F185-F240 HydrophobicContact CD2-CD2 3.96Å; F185-F240 HydrophobicContact CD2-CE2 4.25Å; F185-F240 HydrophobicContact CE2-CD2 4.39Å; F185-F240 HydrophobicContact CE2-CE2 4.43Å; F185-F240 PolarHBondContact N-O 3.04Å; F185-V241 HydrophobicContact CB-CG2 4.33Å; F185-V241 CarbonylContact O-C 3.48Å; F185-V241 WeakPolarHBondContact O-CA 3.34Å; F185-H242 PolarHBondContact O-N 2.96Å
186V88.5Confident82.4Confident0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-118.6110.9174.8176.70000108V129 I130 T131 C132 H242 L244 L326V129-V186 HydrophobicContact CG1-CB 4.3Å; V129-V186 HydrophobicContact CG1-CG2 3.52Å; I130-V186 PolarHBondContact O-N 3.42Å; T131-V186 CarbonylContact C-O 3.57Å; T131-V186 WeakPolarHBondContact CA-O 3.29Å; C132-V186 PolarHBondContact N-O 3.34Å; V186-H242 CarbonylContact C-O 3.57Å; V186-H242 WeakPolarHBondContact CA-O 3.36Å; V186-L244 HydrophobicContact CG1-CD1 3.4Å; V186-L244 HydrophobicContact CG1-CG 3.96Å; V186-L326 HydrophobicContact CG1-CD1 4.39Å; V186-L326 HydrophobicContact CG2-CD1 3.64Å
187F86.8Confident81.3Confident1 Ų126.7 Ų26.70%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-97.9113.1179.2-69.7-93.9000109.7C132 G134 I137 F185 M189 I210 I214 V241 H242 V243 L244C132-F187 HydrophobicContact CB-CD1 3.63Å; C132-F187 HydrophobicContact CB-CE1 3.76Å; C132-F187 HydrophobicContact CB-CG 4.38Å; C132-F187 CarbonylContact O-C 3.42Å; C132-F187 WeakPolarHBondContact O-CA 3.34Å; G134-F187 VanDerWaalsContact O-CD1 3.25Å; G134-F187 WeakPolarHBondContact O-CD1 3.41Å; I137-F187 HydrophobicContact CD1-CZ 3.8Å; I137-F187 HydrophobicContact CG1-CE1 3.74Å; I137-F187 HydrophobicContact CG1-CZ 3.49Å; I137-F187 VanDerWaalsContact CG1-CZ 3.49Å; F185-F187 HydrophobicContact CB-CD2 4.11Å; F185-F187 HydrophobicContact CB-CE2 3.52Å; F185-F187 HydrophobicContact CB-CZ 4.33Å; F185-F187 HydrophobicContact CD1-CE2 4.42Å; F185-F187 HydrophobicContact CD1-CZ 4.42Å; F185-F187 HydrophobicContact CG-CE2 4.25Å; F187-M189 HydrophobicContact CB-CE 3.57Å; F187-I210 HydrophobicContact CD2-CD1 4.46Å; F187-I210 HydrophobicContact CD2-CG2 4.28Å; F187-I210 HydrophobicContact CE1-CG2 4.46Å; F187-I210 HydrophobicContact CE2-CG2 3.48Å; F187-I210 VanDerWaalsContact CE2-CG2 3.48Å; F187-I210 HydrophobicContact CG-CD1 4.48Å; F187-I210 HydrophobicContact CZ-CG2 3.57Å; F187-I214 HydrophobicContact CE2-CD1 4.22Å; F187-I214 HydrophobicContact CZ-CD1 4.2Å; F187-V241 HydrophobicContact CD2-CG1 3.69Å; F187-V241 HydrophobicContact CE2-CG1 3.74Å; F187-H242 PolarHBondContact N-O 3.07Å; F187-V243 HydrophobicContact CB-CG2 4.32Å; F187-V243 WeakPolarHBondContact O-CA 3.09Å; F187-L244 PolarHBondContact O-N 2.75Å
188K81.8Confident80.1Confident12 Ų1235.9 Ų35.95%0.05218%0.179CC..EExtended strand (participates in β ladder)trans-88.6111.1175.4-68.3-175.9177.3-176.90108.7D40 N50 T131 C132 G134 L244D40-K188 IonicContact OD2-NZ 3.75Å; N50-K188 WeakPolarHBondContact OD1-CE 3.34Å; N50-K188 PolarHBondContact OD1-NZ 3.33Å; T131-K188 HydrophobicContact CG2-CD 3.91Å; T131-K188 HydrophobicContact CG2-CG 4.22Å; C132-K188 PolarHBondContact O-N 2.77Å; G134-K188 PolarHBondContact N-O 3.28Å; K188-L244 HydrophobicContact CG-CB 4.38Å; K188-L244 HydrophobicContact CG-CD1 4.06Å
189M81.6Confident79.4Confident11 Ų1139 Ų395%0.05420%0.195CC..  trans-68.2139.5178.8-63-60.295.900110.3G134 T135 F187 Q193 L206 V243 L244G134-M189 WeakPolarHBondContact O-CE 3.32Å; T135-M189 HydrophobicContact CG2-CE 4.11Å; T135-M189 HydrophobicContact CG2-SD 3.92Å; F187-M189 HydrophobicContact CB-CE 3.57Å; M189-Q193 HydrophobicContact CB-CB 4.09Å; M189-Q193 HydrophobicContact SD-CB 4.36Å; M189-L206 HydrophobicContact SD-CD2 4.13Å; M189-V243 HydrophobicContact CE-CG1 4.03Å; M189-V243 HydrophobicContact CG-CG1 3.61Å; M189-V243 HydrophobicContact SD-CG1 4.02Å; M189-L244 PolarHBondContact N-O 2.98Å; M189-L244 VanDerWaalsContact N-O 3.11Å
190T73.9Confident78.6Confident32 Ų3246.1 Ų46.120%0.19622%0.222CC..  trans-67.7156.7170.764.60000109.9F42 I133 A192 Q193 S194F42-T190 HydrophobicContact CE2-CG2 4.21Å; I133-T190 HydrophobicContact CG2-CG2 4.02Å; T190-A192 PolarHBondContact O-N 3.46Å; T190-A192 VanDerWaalsContact O-N 3.12Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 2.61Å; T190-Q193 VanDerWaalsContact OG1-CD 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.42Å; T190-Q193 PolarHBondContact OG1-OE1 3.26Å; T190-S194 PolarHBondContact O-N 3.03Å
191P66.4Low78Confident25 Ų2551.6 Ų51.616%0.16225%0.245CC..Hα-helixtrans-53.8-37.5-178.8-28.635.5000113.4S194 K195 E246P191-S194 PolarHBondContact O-N 2.95Å; P191-K195 WeakPolarHBondContact O-CG 3.34Å; P191-K195 PolarHBondContact O-N 2.81Å; P191-E246 WeakPolarHBondContact CA-OE2 3.35Å
192A67.8Low77.2Confident47 Ų4755.4 Ų55.439%0.38827%0.265SS..Hα-helixtrans-61.9-44.7175.300000112.7T190 M196T190-A192 PolarHBondContact O-N 3.46Å; T190-A192 VanDerWaalsContact O-N 3.12Å; A192-M196 WeakPolarHBondContact O-CG 3.38Å; A192-M196 PolarHBondContact O-N 3.1Å
193Q69.8Low76.7Confident52 Ų5253.9 Ų53.924%0.24326%0.26CS..Hα-helixtrans-68.1-39.5177.6-68.7166.4-18.900111.5M189 T190 K195 M196 I197M189-Q193 HydrophobicContact CB-CB 4.09Å; M189-Q193 HydrophobicContact SD-CB 4.36Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 2.61Å; T190-Q193 VanDerWaalsContact OG1-CD 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.42Å; T190-Q193 PolarHBondContact OG1-OE1 3.26Å; Q193-K195 PolarHBondContact O-N 2.82Å; Q193-M196 PolarHBondContact O-N 3.01Å; Q193-I197 WeakPolarHBondContact O-CG1 3.3Å; Q193-I197 PolarHBondContact O-N 3.47Å
194S68.6Low76Confident14 Ų1458.5 Ų58.510%0.09828%0.277CS..Hα-helixtrans-60.3-43.7177.5-166.80000111.6T190 P191 M196 I197 E246T190-S194 PolarHBondContact O-N 3.03Å; P191-S194 PolarHBondContact O-N 2.95Å; S194-M196 VanDerWaalsContact C-N 3.27Å; S194-M196 PolarHBondContact O-N 2.78Å; S194-I197 PolarHBondContact O-N 2.79Å; S194-E246 VanDerWaalsContact OG-CB 3.26Å; S194-E246 WeakPolarHBondContact OG-CB 3.32Å; S194-E246 PolarHBondContact OG-N 3.36Å; S194-E246 VanDerWaalsContact OG-N 3.14Å
195K70.5Confident75.4Confident113 Ų11364 Ų6449%0.49130%0.303SS..Hα-helixtrans-61.2-31.8176.3-73.6173.3-176.5175.50113.6P191 Q193P191-K195 WeakPolarHBondContact O-CG 3.34Å; P191-K195 PolarHBondContact O-N 2.81Å; Q193-K195 PolarHBondContact O-N 2.82Å
196M61.9Low75Confident157 Ų15765.8 Ų65.877%0.77331%0.312SS*.Hα-helixtrans-74.8-33.9178.2-65.6-178.181.300112.3A192 Q193 S194 K198A192-M196 WeakPolarHBondContact O-CG 3.38Å; A192-M196 PolarHBondContact O-N 3.1Å; Q193-M196 PolarHBondContact O-N 3.01Å; S194-M196 VanDerWaalsContact C-N 3.27Å; S194-M196 PolarHBondContact O-N 2.78Å; M196-K198 PolarHBondContact O-N 2.75Å
197I65.1Low74.9Confident31 Ų3166.9 Ų66.916%0.15932%0.317CS..  trans-94.181.9-174.7-54.6170.3000109.8Q193 S194 L202 V203 L206 L245Q193-I197 WeakPolarHBondContact O-CG1 3.3Å; Q193-I197 PolarHBondContact O-N 3.47Å; S194-I197 PolarHBondContact O-N 2.79Å; I197-L202 HydrophobicContact CG2-CB 4.12Å; I197-V203 HydrophobicContact CG2-CG2 3.42Å; I197-V203 VanDerWaalsContact CG2-CG2 3.42Å; I197-L206 HydrophobicContact CD1-CD2 3.82Å; I197-L245 HydrophobicContact CB-CD2 3.99Å; I197-L245 HydrophobicContact CG2-CD2 3.99Å
198K66.3Low74.8Confident196 Ų19670.9 Ų70.985%0.85234%0.336SS*.  trans-84.5-16.1177.7-63.7-176.3-179.7179.90114.4M196M196-K198 PolarHBondContact O-N 2.75Å
199N74.2Confident74.8Confident69 Ų6974.1 Ų74.137%0.36935%0.354SS..  trans-115.2126-170.6-174-7.2000111.4K201 L202 V203N199-K201 PolarHBondContact O-N 2.75Å; N199-K201 VanDerWaalsContact O-N 3.15Å; N199-K201 PolarHBondContact OD1-N 2.68Å; N199-K201 VanDerWaalsContact OD1-N 3.09Å; N199-L202 HydrophobicContact CB-CD1 4.07Å; N199-L202 HydrophobicContact CB-CG 4.17Å; N199-L202 WeakPolarHBondContact O-CB 3.48Å; N199-L202 PolarHBondContact O-N 3.08Å; N199-V203 PolarHBondContact O-N 3.49Å
200W73.9Confident75.1Confident154 Ų15474 Ų7458%0.58335%0.354SS*.Hα-helixtrans-57.3-28.6178.168.8-90.3000113.6L202 V203 R204W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 2.94Å; W200-V203 WeakPolarHBondContact O-CB 3.36Å; W200-V203 PolarHBondContact O-N 2.8Å; W200-R204 HydrophobicContact CE3-CG 4.41Å; W200-R204 PolarHBondContact O-N 2.8Å; W200-R204 VanDerWaalsContact O-N 3.14Å
201K76.3Confident75.8Confident129 Ų12973 Ų7356%0.56135%0.347SS*.Hα-helixtrans-64.1-38175.1-66.9-174.3179.7-179.70112N199 R204 Q205N199-K201 PolarHBondContact O-N 2.75Å; N199-K201 VanDerWaalsContact O-N 3.15Å; N199-K201 PolarHBondContact OD1-N 2.68Å; N199-K201 VanDerWaalsContact OD1-N 3.09Å; K201-R204 PolarHBondContact O-N 3.04Å; K201-Q205 PolarHBondContact O-N 3.17Å
202L77.7Confident76.7Confident81 Ų8174.7 Ų74.742%0.42436%0.357SS..Hα-helixtrans-69.2-35.9177.5-65.4173.9000111.3I197 N199 W200 Q205 L206I197-L202 HydrophobicContact CG2-CB 4.12Å; N199-L202 HydrophobicContact CB-CD1 4.07Å; N199-L202 HydrophobicContact CB-CG 4.17Å; N199-L202 WeakPolarHBondContact O-CB 3.48Å; N199-L202 PolarHBondContact O-N 3.08Å; W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 2.94Å; L202-Q205 PolarHBondContact O-N 3.02Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 PolarHBondContact O-N 3.26Å
203V80.7Confident77.5Confident6 Ų677.4 Ų77.44%0.03636%0.362CS..Hα-helixtrans-59.8-48.9174-176.60000110.4I197 N199 W200 Q205 L206 E207 V243 L245I197-V203 HydrophobicContact CG2-CG2 3.42Å; I197-V203 VanDerWaalsContact CG2-CG2 3.42Å; N199-V203 PolarHBondContact O-N 3.49Å; W200-V203 WeakPolarHBondContact O-CB 3.36Å; W200-V203 PolarHBondContact O-N 2.8Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 2.81Å; V203-L206 WeakPolarHBondContact O-CB 3.24Å; V203-L206 PolarHBondContact O-N 3.5Å; V203-E207 WeakPolarHBondContact O-CG 3.41Å; V203-E207 PolarHBondContact O-N 3.08Å; V203-V243 HydrophobicContact CG1-CB 4.08Å; V203-V243 HydrophobicContact CG1-CG1 4.2Å; V203-L245 HydrophobicContact CB-CD1 4.38Å; V203-L245 HydrophobicContact CG1-CD1 3.88Å; V203-L245 HydrophobicContact CG2-CD1 3.55Å; V203-L245 HydrophobicContact CG2-CD2 4.05Å; V203-L245 HydrophobicContact CG2-CG 4.37Å
204R80.7Confident78.3Confident97 Ų9775.2 Ų75.237%0.36635%0.352SS..Hα-helixtrans-63.8-39.6178.1-70.2-174.9179.8-149-4.2112.5W200 K201 L206 E207 Q208 Q320W200-R204 HydrophobicContact CE3-CG 4.41Å; W200-R204 PolarHBondContact O-N 2.8Å; W200-R204 VanDerWaalsContact O-N 3.14Å; K201-R204 PolarHBondContact O-N 3.04Å; R204-L206 VanDerWaalsContact C-N 3.31Å; R204-E207 PolarHBondContact O-N 2.97Å; R204-Q208 WeakPolarHBondContact O-CB 3.04Å; R204-Q208 PolarHBondContact O-N 3.27Å; R204-Q320 VanDerWaalsContact CZ-NE2 3.25Å; R204-Q320 VanDerWaalsContact NH1-CD 3.33Å
205Q80.7Confident79.2Confident117 Ų11779 Ų7955%0.54737%0.366SS..Hα-helixtrans-64.4-39.1175.5-170.8177.37.600111.4K201 L202 V203 Q208 N209K201-Q205 PolarHBondContact O-N 3.17Å; L202-Q205 PolarHBondContact O-N 3.02Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 2.81Å; Q205-Q208 PolarHBondContact O-N 2.81Å; Q205-N209 WeakPolarHBondContact O-CB 3.11Å; Q205-N209 PolarHBondContact O-N 2.93Å; Q205-N209 PolarHBondContact O-ND2 3.05Å
206L81.5Confident79.9Confident38 Ų3876.9 Ų76.920%0.19936%0.361CS..Hα-helixtrans-64.1-47.5174.4178.963.6000111.5T135 M189 I197 L202 V203 R204 Q208 N209 I210 V243T135-L206 HydrophobicContact CG2-CD1 4.39Å; T135-L206 HydrophobicContact CG2-CD2 4.4Å; M189-L206 HydrophobicContact SD-CD2 4.13Å; I197-L206 HydrophobicContact CD1-CD2 3.82Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 PolarHBondContact O-N 3.26Å; V203-L206 WeakPolarHBondContact O-CB 3.24Å; V203-L206 PolarHBondContact O-N 3.5Å; R204-L206 VanDerWaalsContact C-N 3.31Å; L206-Q208 VanDerWaalsContact C-N 3.35Å; L206-Q208 PolarHBondContact O-N 3.38Å; L206-N209 PolarHBondContact O-N 3.04Å; L206-I210 HydrophobicContact CD1-CD1 3.89Å; L206-I210 HydrophobicContact CD1-CG1 4.21Å; L206-I210 HydrophobicContact CG-CD1 3.85Å; L206-I210 WeakPolarHBondContact O-CB 3.12Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.39Å; L206-V243 HydrophobicContact CD2-CG1 4.38Å; L206-V243 HydrophobicContact CD2-CG2 4.28Å; L206-V243 HydrophobicContact CG-CG2 4.45Å
207E86.4Confident81Confident22 Ų2270.5 Ų70.510%0.10333%0.331CS..Hα-helixtrans-55.1-49.7174.6-75.7174.5160.200110.9V203 R204 N209 I210 V211 H242 V243 H324V203-E207 WeakPolarHBondContact O-CG 3.41Å; V203-E207 PolarHBondContact O-N 3.08Å; R204-E207 PolarHBondContact O-N 2.97Å; E207-N209 PolarHBondContact O-N 3.21Å; E207-I210 PolarHBondContact O-N 3.43Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.95Å; E207-H242 IonicContact OE1-ND1 2.75Å; E207-H242 PolarHBondContact OE1-ND1 3.36Å; E207-V243 HydrophobicContact CG-CB 3.97Å; E207-V243 HydrophobicContact CG-CG2 3.56Å; E207-V243 PolarHBondContact OE1-N 3.13Å; E207-H324 IonicContact OE1-CD2 3.78Å; E207-H324 IonicContact OE1-CE1 3.66Å; E207-H324 IonicContact OE1-NE2 3.56Å; E207-H324 PolarHBondContact OE1-NE2 3.27Å; E207-H324 IonicContact OE2-NE2 3.53Å
208Q84.2Confident82Confident86 Ų8669.3 Ų69.340%0.40232%0.324SS..Hα-helixtrans-61.7-42.4178.8-173.260.743.800112.3R204 Q205 L206 I210 V211 T212R204-Q208 WeakPolarHBondContact O-CB 3.04Å; R204-Q208 PolarHBondContact O-N 3.27Å; Q205-Q208 PolarHBondContact O-N 2.81Å; L206-Q208 VanDerWaalsContact C-N 3.35Å; L206-Q208 PolarHBondContact O-N 3.38Å; Q208-I210 VanDerWaalsContact C-N 3.34Å; Q208-I210 PolarHBondContact O-N 3.43Å; Q208-V211 WeakPolarHBondContact O-CB 3.44Å; Q208-V211 PolarHBondContact O-N 3.26Å; Q208-T212 PolarHBondContact O-N 3.02Å; Q208-T212 PolarHBondContact O-OG1 3Å
209N83.6Confident82.9Confident80 Ų8065.3 Ų65.343%0.42831%0.305SS..Hα-helixtrans-62.9-42.1177.2-74.2-20.5000111.5Q205 L206 E207 Q213Q205-N209 WeakPolarHBondContact O-CB 3.11Å; Q205-N209 PolarHBondContact O-N 2.93Å; Q205-N209 PolarHBondContact O-ND2 3.05Å; L206-N209 PolarHBondContact O-N 3.04Å; E207-N209 PolarHBondContact O-N 3.21Å; N209-Q213 WeakPolarHBondContact O-CB 3.14Å; N209-Q213 VanDerWaalsContact O-CG 3.29Å; N209-Q213 WeakPolarHBondContact O-CG 3.32Å; N209-Q213 PolarHBondContact O-N 3.43Å
210I86.5Confident83.3Confident9 Ų965.2 Ų65.25%0.04630%0.302CS..Hα-helixtrans-67.3-43.4177.4-67.8170.2000110.3F187 L206 E207 Q208 T212 Q213 I214 V241 V243F187-I210 HydrophobicContact CD2-CD1 4.46Å; F187-I210 HydrophobicContact CD2-CG2 4.28Å; F187-I210 HydrophobicContact CE1-CG2 4.46Å; F187-I210 HydrophobicContact CE2-CG2 3.48Å; F187-I210 VanDerWaalsContact CE2-CG2 3.48Å; F187-I210 HydrophobicContact CG-CD1 4.48Å; F187-I210 HydrophobicContact CZ-CG2 3.57Å; L206-I210 HydrophobicContact CD1-CD1 3.89Å; L206-I210 HydrophobicContact CD1-CG1 4.21Å; L206-I210 HydrophobicContact CG-CD1 3.85Å; L206-I210 WeakPolarHBondContact O-CB 3.12Å; L206-I210 VanDerWaalsContact O-CG1 3.28Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.39Å; E207-I210 PolarHBondContact O-N 3.43Å; Q208-I210 VanDerWaalsContact C-N 3.34Å; Q208-I210 PolarHBondContact O-N 3.43Å; I210-T212 VanDerWaalsContact C-N 3.34Å; I210-T212 PolarHBondContact O-N 3.16Å; I210-Q213 PolarHBondContact O-N 2.92Å; I210-I214 HydrophobicContact CG2-CD1 3.58Å; I210-I214 HydrophobicContact CG2-CG1 4.15Å; I210-I214 VanDerWaalsContact O-CG1 3.27Å; I210-I214 WeakPolarHBondContact O-CG1 2.93Å; I210-I214 PolarHBondContact O-N 3.27Å; I210-V241 HydrophobicContact CB-CG1 4.21Å; I210-V241 HydrophobicContact CG2-CG1 3.83Å; I210-V241 HydrophobicContact CG2-CG2 4.09Å; I210-V243 HydrophobicContact CD1-CG2 4.4Å
211V89.6Confident83.6Confident9 Ų958.2 Ų58.26%0.05528%0.276CS..Hα-helixtrans-52.6-52.4174.3162.70000110.7E207 Q208 Q213 I214 F215 H238 F240 V241E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.95Å; Q208-V211 WeakPolarHBondContact O-CB 3.44Å; Q208-V211 PolarHBondContact O-N 3.26Å; V211-Q213 PolarHBondContact O-N 2.99Å; V211-I214 PolarHBondContact O-N 3.09Å; V211-F215 WeakPolarHBondContact O-CB 3.28Å; V211-F215 PolarHBondContact O-N 2.97Å; V211-H238 WeakPolarHBondContact CG2-O 3.35Å; V211-F240 HydrophobicContact CB-CE1 4.43Å; V211-F240 HydrophobicContact CB-CZ 4.25Å; V211-F240 HydrophobicContact CG1-CE1 3.71Å; V211-F240 HydrophobicContact CG1-CZ 3.91Å; V211-F240 HydrophobicContact CG2-CE1 4.34Å; V211-F240 HydrophobicContact CG2-CZ 4.28Å; V211-V241 HydrophobicContact CB-CG2 4.45Å; V211-V241 HydrophobicContact CG2-CB 3.7Å; V211-V241 HydrophobicContact CG2-CG2 3.49Å; V211-V241 VanDerWaalsContact CG2-CG2 3.49Å
212T85.3Confident83.9Confident62 Ų6254.5 Ų54.538%0.3827%0.274SS..Hα-helixtrans-63-41.4179.9-59.80000111.7Q208 I210 N216Q208-T212 PolarHBondContact O-N 3.02Å; Q208-T212 PolarHBondContact O-OG1 3Å; I210-T212 VanDerWaalsContact C-N 3.34Å; I210-T212 PolarHBondContact O-N 3.16Å; T212-N216 WeakPolarHBondContact O-CB 3.38Å; T212-N216 PolarHBondContact O-N 3.23Å; T212-N216 PolarHBondContact O-ND2 2.61Å
213Q85Confident84.1Confident104 Ų10451.1 Ų51.149%0.48626%0.257SS..Hα-helixtrans-63.9-43.1177.3-75.2179.335.400112.7N209 I210 V211 T217N209-Q213 WeakPolarHBondContact O-CB 3.14Å; N209-Q213 VanDerWaalsContact O-CG 3.29Å; N209-Q213 WeakPolarHBondContact O-CG 3.32Å; N209-Q213 PolarHBondContact O-N 3.43Å; I210-Q213 PolarHBondContact O-N 2.92Å; V211-Q213 PolarHBondContact O-N 2.99Å; Q213-T217 VanDerWaalsContact O-CB 3.22Å; Q213-T217 WeakPolarHBondContact O-CB 3.47Å; Q213-T217 PolarHBondContact O-N 3.42Å; Q213-T217 PolarHBondContact O-OG1 3.43Å
214I86.2Confident84.3Confident6 Ų651.4 Ų51.43%0.03126%0.258CS..Hα-helixtrans-64.9-50.6177.6-66.9169.3000110I137 F185 F187 I210 V211 N216 T217 F218 L235 F240 V241I137-I214 HydrophobicContact CD1-CD1 3.46Å; I137-I214 VanDerWaalsContact CD1-CD1 3.46Å; I137-I214 HydrophobicContact CD1-CG1 3.33Å; F185-I214 HydrophobicContact CD1-CD1 4.34Å; F185-I214 HydrophobicContact CD2-CD1 3.92Å; F185-I214 HydrophobicContact CE2-CD1 4.15Å; F185-I214 HydrophobicContact CE2-CG2 3.96Å; F185-I214 HydrophobicContact CG-CD1 4.01Å; F185-I214 HydrophobicContact CZ-CD1 4.45Å; F185-I214 HydrophobicContact CZ-CG2 4.2Å; F187-I214 HydrophobicContact CE2-CD1 4.22Å; F187-I214 HydrophobicContact CZ-CD1 4.2Å; I210-I214 HydrophobicContact CG2-CD1 3.58Å; I210-I214 HydrophobicContact CG2-CG1 4.15Å; I210-I214 VanDerWaalsContact O-CG1 3.27Å; I210-I214 WeakPolarHBondContact O-CG1 2.93Å; I210-I214 PolarHBondContact O-N 3.27Å; V211-I214 PolarHBondContact O-N 3.09Å; I214-N216 PolarHBondContact O-N 2.85Å; I214-T217 PolarHBondContact O-N 2.79Å; I214-F218 HydrophobicContact CG2-CD2 3.88Å; I214-F218 HydrophobicContact CG2-CE2 3.97Å; I214-F218 HydrophobicContact CG2-CG 4.31Å; I214-F218 HydrophobicContact CG2-CZ 4.46Å; I214-F218 WeakPolarHBondContact O-CB 3.47Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.47Å; I214-F218 PolarHBondContact O-N 2.78Å; I214-L235 HydrophobicContact CG2-CD1 4.23Å; I214-F240 HydrophobicContact CB-CE2 4Å; I214-F240 HydrophobicContact CB-CZ 4.24Å; I214-F240 HydrophobicContact CD1-CE2 4Å; I214-F240 HydrophobicContact CG2-CE2 3.77Å; I214-F240 HydrophobicContact CG2-CZ 4.2Å; I214-V241 HydrophobicContact CD1-CG2 3.7Å
215F87.8Confident84.1Confident92 Ų9249.3 Ų49.340%0.40426%0.259SS..Hα-helixtrans-57.1-51.9-179178-95.7000111.1V211 T217 F218 Y219 L235V211-F215 WeakPolarHBondContact O-CB 3.28Å; V211-F215 PolarHBondContact O-N 2.97Å; F215-T217 VanDerWaalsContact C-N 3.34Å; F215-T217 PolarHBondContact O-N 3.25Å; F215-F218 PolarHBondContact O-N 3.18Å; F215-Y219 VanDerWaalsContact O-CB 3.26Å; F215-Y219 WeakPolarHBondContact O-CB 3.36Å; F215-Y219 PolarHBondContact O-N 3.08Å; F215-L235 HydrophobicContact CD2-CD1 4.4Å
216N85Confident83.6Confident70 Ų7050 Ų5037%0.37427%0.266SS..Hα-helixtrans-61.3-43.3179.4-70-11.6000111.4T212 I214 F218 Y219 E220T212-N216 WeakPolarHBondContact O-CB 3.38Å; T212-N216 PolarHBondContact O-N 3.23Å; T212-N216 PolarHBondContact O-ND2 2.61Å; I214-N216 PolarHBondContact O-N 2.85Å; N216-F218 PolarHBondContact O-N 2.77Å; N216-Y219 PolarHBondContact O-N 3.21Å; N216-E220 VanDerWaalsContact O-CB 3.27Å; N216-E220 WeakPolarHBondContact O-CB 3.37Å; N216-E220 WeakPolarHBondContact O-CG 3.47Å; N216-E220 PolarHBondContact O-N 3.38Å
217T83.6Confident83.2Confident23 Ų2353.5 Ų53.514%0.14128%0.284CS..Hα-helixtrans-65.3-41.6179-58.10000111.8I142 Q213 I214 F215 T221 L467I142-T217 HydrophobicContact CD1-CG2 3.59Å; Q213-T217 VanDerWaalsContact O-CB 3.22Å; Q213-T217 WeakPolarHBondContact O-CB 3.47Å; Q213-T217 PolarHBondContact O-N 3.42Å; Q213-T217 PolarHBondContact O-OG1 3.43Å; I214-T217 PolarHBondContact O-N 2.79Å; F215-T217 VanDerWaalsContact C-N 3.34Å; F215-T217 PolarHBondContact O-N 3.25Å; T217-T221 HydrophobicContact CG2-CG2 4.48Å; T217-T221 WeakPolarHBondContact O-CB 3.13Å; T217-T221 WeakPolarHBondContact O-CG2 3.23Å; T217-T221 PolarHBondContact O-N 2.59Å; T217-T221 PolarHBondContact O-OG1 2.99Å; T217-L467 HydrophobicContact CG2-CD2 3.89Å
218F86.7Confident82.2Confident5 Ų554.4 Ų54.42%0.02229%0.292CS..Hα-helixtrans-71.1-33.8179.5-84.3-131.8000111.6I142 F145 L183 F185 I214 F215 N216 T221 G222 L223 V224 L233 L235I142-F218 HydrophobicContact CG1-CE2 4.38Å; F145-F218 HydrophobicContact CD2-CE1 4.21Å; F145-F218 HydrophobicContact CD2-CZ 4.22Å; F145-F218 HydrophobicContact CE2-CE1 4.38Å; F145-F218 HydrophobicContact CE2-CZ 4.18Å; L183-F218 HydrophobicContact CD2-CE1 3.81Å; L183-F218 HydrophobicContact CD2-CZ 4.24Å; F185-F218 AromaticContact CZ-CZ 3.97Å; F185-F218 HydrophobicContact CZ-CZ 3.97Å; I214-F218 HydrophobicContact CG2-CD2 3.88Å; I214-F218 HydrophobicContact CG2-CE2 3.97Å; I214-F218 HydrophobicContact CG2-CG 4.31Å; I214-F218 HydrophobicContact CG2-CZ 4.46Å; I214-F218 WeakPolarHBondContact O-CB 3.47Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.47Å; I214-F218 PolarHBondContact O-N 2.78Å; F215-F218 PolarHBondContact O-N 3.18Å; N216-F218 PolarHBondContact O-N 2.77Å; F218-T221 WeakPolarHBondContact CA-OG1 3.5Å; F218-T221 PolarHBondContact O-OG1 2.87Å; F218-G222 PolarHBondContact O-N 3.27Å; F218-G222 VanDerWaalsContact O-N 3.1Å; F218-L223 HydrophobicContact CB-CB 4.33Å; F218-L223 HydrophobicContact CD1-CB 4.02Å; F218-L223 HydrophobicContact CD1-CD1 4.04Å; F218-L223 HydrophobicContact CE1-CD1 4.09Å; F218-L223 HydrophobicContact CG-CB 4.34Å; F218-L223 HydrophobicContact CG-CD1 4.27Å; F218-L223 HydrophobicContact CZ-CD1 4.36Å; F218-L223 PolarHBondContact O-N 2.73Å; F218-V224 HydrophobicContact CB-CB 4.32Å; F218-V224 HydrophobicContact CB-CG2 3.91Å; F218-V224 HydrophobicContact CD1-CG2 4.13Å; F218-V224 PolarHBondContact O-N 2.93Å; F218-V224 VanDerWaalsContact O-N 3.17Å; F218-L233 HydrophobicContact CD1-CD1 4.33Å; F218-L233 HydrophobicContact CE1-CD1 4.27Å; F218-L235 HydrophobicContact CB-CD1 4.36Å; F218-L235 HydrophobicContact CD1-CD1 4.39Å
219Y85.1Confident81.4Confident113 Ų11354.2 Ų54.244%0.44330%0.297SS..Hα-helixtrans-69.8-49.1173.6-172.2-96.2000111.9F215 N216 T221 G222F215-Y219 VanDerWaalsContact O-CB 3.26Å; F215-Y219 WeakPolarHBondContact O-CB 3.36Å; F215-Y219 PolarHBondContact O-N 3.08Å; N216-Y219 PolarHBondContact O-N 3.21Å; Y219-T221 VanDerWaalsContact C-N 3.26Å; Y219-T221 PolarHBondContact O-N 3.41Å; Y219-G222 PolarHBondContact O-N 2.96Å
220E82.7Confident80.8Confident66 Ų6654.2 Ų54.231%0.30830%0.297SS..Hα-helixtrans-61.7-34.2177.9-75.4174.7171.600112.3N216 G222 L467 R471N216-E220 VanDerWaalsContact O-CB 3.27Å; N216-E220 WeakPolarHBondContact O-CB 3.37Å; N216-E220 WeakPolarHBondContact O-CG 3.47Å; N216-E220 PolarHBondContact O-N 3.38Å; E220-G222 VanDerWaalsContact C-N 3.34Å; E220-L467 HydrophobicContact CB-CD1 3.99Å; E220-L467 WeakPolarHBondContact OE2-CD1 3.26Å; E220-R471 IonicContact OE2-NH2 3.8Å
221T80.7Confident80.7Confident7 Ų754.3 Ų54.34%0.04330%0.297CS..Hα-helixtrans-81.7-14.2175.658.30000112.7I142 K146 T217 F218 Y219 P463I142-T221 HydrophobicContact CG2-CG2 3.83Å; K146-T221 WeakPolarHBondContact CE-O 3.22Å; K146-T221 PolarHBondContact NZ-O 3.17Å; T217-T221 HydrophobicContact CG2-CG2 4.48Å; T217-T221 WeakPolarHBondContact O-CB 3.13Å; T217-T221 WeakPolarHBondContact O-CG2 3.23Å; T217-T221 PolarHBondContact O-N 2.59Å; T217-T221 PolarHBondContact O-OG1 2.99Å; F218-T221 WeakPolarHBondContact CA-OG1 3.5Å; F218-T221 PolarHBondContact O-OG1 2.87Å; Y219-T221 VanDerWaalsContact C-N 3.26Å; Y219-T221 PolarHBondContact O-N 3.41Å; T221-P463 HydrophobicContact CG2-CB 4.12Å
222G81.4Confident80.6Confident51 Ų5154 Ų5453%0.52630%0.295SS..THydrogen-bonded Turntrans7718-179.400000114.4F218 Y219 E220 V224F218-G222 PolarHBondContact O-N 3.27Å; F218-G222 VanDerWaalsContact O-N 3.1Å; Y219-G222 PolarHBondContact O-N 2.96Å; E220-G222 VanDerWaalsContact C-N 3.34Å; G222-V224 VanDerWaalsContact C-N 3.3Å
223L83.2Confident80.9Confident10 Ų1051.1 Ų51.15%0.05228%0.277CS..SBendtrans-71.1-31.5169.2-75.7173.7000111.6I142 F145 K146 F218I142-L223 HydrophobicContact CB-CD1 4.29Å; I142-L223 HydrophobicContact CG1-CD1 4.39Å; I142-L223 HydrophobicContact CG2-CD1 3.9Å; F145-L223 HydrophobicContact CB-CD1 4.14Å; F145-L223 HydrophobicContact CB-CD2 3.65Å; F145-L223 HydrophobicContact CD2-CD1 4.33Å; K146-L223 HydrophobicContact CB-CD2 4.49Å; K146-L223 HydrophobicContact CG-CD2 3.64Å; K146-L223 HydrophobicContact CG-CG 4.21Å; F218-L223 HydrophobicContact CB-CB 4.33Å; F218-L223 HydrophobicContact CD1-CB 4.02Å; F218-L223 HydrophobicContact CD1-CD1 4.04Å; F218-L223 HydrophobicContact CE1-CD1 4.09Å; F218-L223 HydrophobicContact CG-CB 4.34Å; F218-L223 HydrophobicContact CG-CD1 4.27Å; F218-L223 HydrophobicContact CZ-CD1 4.36Å; F218-L223 PolarHBondContact O-N 2.73Å
224V83.6Confident81.1Confident12 Ų1248.7 Ų48.77%0.07327%0.266CS..SBendtrans-118.6138.2173.6176.60000108F218 G222 L233 L235F218-V224 HydrophobicContact CB-CB 4.32Å; F218-V224 HydrophobicContact CB-CG2 3.91Å; F218-V224 HydrophobicContact CD1-CG2 4.13Å; F218-V224 PolarHBondContact O-N 2.93Å; F218-V224 VanDerWaalsContact O-N 3.17Å; G222-V224 VanDerWaalsContact C-N 3.3Å; V224-L233 HydrophobicContact CG2-CD1 4.4Å; V224-L235 HydrophobicContact CG2-CD1 4.02Å; V224-L235 HydrophobicContact CG2-CG 4.12Å
225S77.6Confident81.3Confident54 Ų5449.3 Ų49.338%0.37827%0.27SS..  trans-139.1170.2175.976.50000111.2I227 Q231S225-I227 PolarHBondContact O-N 2.99Å; S225-I227 PolarHBondContact OG-N 3.28Å; S225-I227 PolarHBondContact OG-O 3.38Å; S225-Q231 VanDerWaalsContact N-NE2 3.15Å; S225-Q231 PolarHBondContact O-NE2 2.68Å; S225-Q231 PolarHBondContact OG-NE2 3.4Å
226N70.8Confident81Confident131 Ų13146 Ų4670%0.70126%0.257SS*.SBendtrans-66.9-15.2178.4-64.7-14.8000113.4P228N226-P228 WeakPolarHBondContact O-CD 3.42Å
227I71.7Confident80.6Confident111 Ų11145 Ų4557%0.56926%0.264SS*.  trans-107.298.6-178.7-57.7168.4000107.8S225 T229 Q231S225-I227 PolarHBondContact O-N 2.99Å; S225-I227 PolarHBondContact OG-N 3.28Å; S225-I227 PolarHBondContact OG-O 3.38Å; I227-T229 WeakPolarHBondContact CG2-OG1 3.32Å; I227-T229 PolarHBondContact O-N 3.02Å; I227-Q231 PolarHBondContact O-NE2 3.08Å
228P65.8Low80.4Confident41 Ų4150.1 Ų50.127%0.26629%0.286SS..  trans-70.2-15-174.728.6-35.7000113.2N226 N230 Q231 M234N226-P228 WeakPolarHBondContact O-CD 3.42Å; P228-N230 PolarHBondContact O-N 2.97Å; P228-Q231 PolarHBondContact O-N 3.23Å; P228-M234 HydrophobicContact CB-CE 3.71Å; P228-M234 HydrophobicContact CB-SD 3.74Å
229T66.7Low80.2Confident82 Ų8251.8 Ų51.850%0.50330%0.295SS..THydrogen-bonded Turntrans-68.6120.4-179.660.80000109.9I227I227-T229 WeakPolarHBondContact CG2-OG1 3.32Å; I227-T229 PolarHBondContact O-N 3.02Å
230N71.3Confident80.4Confident80 Ų8046.5 Ų46.543%0.42827%0.274SS..THydrogen-bonded Turntrans73.428.3-178.6-55.6-40000116.8R152 P228R152-N230 PolarHBondContact NH2-O 2.65Å; P228-N230 PolarHBondContact O-N 2.97Å
231Q84.6Confident80.7Confident11 Ų1143.7 Ų43.75%0.05126%0.262CS..  trans-83.9154.7166.9-63.1-176.921.100111.7R177 S225 I227 P228 L233 M234R177-Q231 VanDerWaalsContact CZ-O 3.26Å; R177-Q231 PolarHBondContact NH1-O 3.36Å; R177-Q231 PolarHBondContact NH2-O 3.47Å; S225-Q231 VanDerWaalsContact N-NE2 3.15Å; S225-Q231 PolarHBondContact O-NE2 2.68Å; S225-Q231 PolarHBondContact OG-NE2 3.4Å; I227-Q231 PolarHBondContact O-NE2 3.08Å; P228-Q231 PolarHBondContact O-N 3.23Å; Q231-L233 VanDerWaalsContact C-N 3.33Å; Q231-M234 HydrophobicContact CB-SD 4.38Å; Q231-M234 PolarHBondContact OE1-SD 2.95Å; Q231-M234 VanDerWaalsContact OE1-SD 3.39Å
232L88.3Confident81Confident4 Ų443.5 Ų43.52%0.02126%0.26CS..SBendtrans-62.5-41.717317964.4000111.7F122 F145 L148 D149 R177 P181F122-L232 HydrophobicContact CB-CD1 4.16Å; F122-L232 HydrophobicContact CD1-CD1 3.62Å; F122-L232 HydrophobicContact CD1-CD2 4.07Å; F122-L232 HydrophobicContact CD1-CG 3.62Å; F122-L232 HydrophobicContact CE1-CD1 4.26Å; F122-L232 HydrophobicContact CE1-CD2 3.86Å; F122-L232 HydrophobicContact CE1-CG 3.76Å; F122-L232 HydrophobicContact CG-CD1 4Å; F122-L232 HydrophobicContact CG-CG 4.4Å; F122-L232 HydrophobicContact CZ-CD2 4.27Å; F145-L232 HydrophobicContact CB-CD2 4.02Å; F145-L232 HydrophobicContact CG-CD2 4.49Å; F145-L232 VanDerWaalsContact O-CD2 3.27Å; F145-L232 WeakPolarHBondContact O-CD2 3.26Å; L148-L232 HydrophobicContact CB-CD1 4.37Å; L148-L232 HydrophobicContact CB-CD2 3.84Å; D149-L232 HydrophobicContact CB-CB 3.83Å; D149-L232 HydrophobicContact CB-CD2 4.29Å; D149-L232 WeakPolarHBondContact OD1-CB 3.34Å; D149-L232 PolarHBondContact OD1-N 3.49Å; R177-L232 PolarHBondContact NH1-O 3.48Å; P181-L232 WeakPolarHBondContact CD-O 3.37Å
233L91.8Very high81.2Confident1 Ų141 Ų411%0.00524%0.235CC..  trans-148.2167.6-172.460.688.7000110.6F122 F145 P181 L183 F218 V224 Q231F122-L233 HydrophobicContact CE1-CB 4.19Å; F122-L233 HydrophobicContact CE1-CD2 3.9Å; F122-L233 HydrophobicContact CZ-CD2 4.31Å; F145-L233 HydrophobicContact CD2-CD2 3.98Å; F145-L233 HydrophobicContact CE2-CD2 4.36Å; F145-L233 HydrophobicContact CG-CD2 4.21Å; P181-L233 WeakPolarHBondContact O-CA 3.41Å; L183-L233 HydrophobicContact CB-CD1 4.11Å; L183-L233 HydrophobicContact CD2-CD1 4.04Å; L183-L233 HydrophobicContact CD2-CD2 3.93Å; F218-L233 HydrophobicContact CD1-CD1 4.33Å; F218-L233 HydrophobicContact CE1-CD1 4.27Å; V224-L233 HydrophobicContact CG2-CD1 4.4Å; Q231-L233 VanDerWaalsContact C-N 3.33Å
234M89.6Confident81Confident52 Ų5241.9 Ų41.926%0.25624%0.24SC..BIsolated β-bridgetrans-129.9148.6171.9-67.4-62.8-60.700110.7I180 P181 R182 L183 P228 Q231I180-M234 HydrophobicContact CB-CG 4.4Å; I180-M234 HydrophobicContact CG2-CB 4.34Å; I180-M234 HydrophobicContact CG2-CG 3.6Å; P181-M234 PolarHBondContact O-N 2.94Å; P181-M234 VanDerWaalsContact O-N 3.09Å; R182-M234 WeakPolarHBondContact CA-O 3.39Å; L183-M234 PolarHBondContact N-O 2.63Å; P228-M234 HydrophobicContact CB-CE 3.71Å; P228-M234 HydrophobicContact CB-SD 3.74Å; Q231-M234 HydrophobicContact CB-SD 4.38Å; Q231-M234 PolarHBondContact OE1-SD 2.95Å; Q231-M234 VanDerWaalsContact OE1-SD 3.39Å
235L89.2Confident80.4Confident20 Ų2043.7 Ų43.711%0.10525%0.249CC..  trans-94.9116.5169.4-62.5175.9000109.1L183 F185 I214 F215 F218 V224 G237 F240L183-L235 HydrophobicContact CB-CD2 4.17Å; L183-L235 HydrophobicContact CD2-CD2 4.42Å; F185-L235 HydrophobicContact CE2-CD2 4.19Å; I214-L235 HydrophobicContact CG2-CD1 4.23Å; F215-L235 HydrophobicContact CD2-CD1 4.4Å; F218-L235 HydrophobicContact CB-CD1 4.36Å; F218-L235 HydrophobicContact CD1-CD1 4.39Å; V224-L235 HydrophobicContact CG2-CD1 4.02Å; V224-L235 HydrophobicContact CG2-CG 4.12Å; L235-G237 PolarHBondContact O-N 3.37Å; L235-F240 HydrophobicContact CB-CD1 4.17Å; L235-F240 HydrophobicContact CB-CE1 4.14Å; L235-F240 HydrophobicContact CB-CG 4.5Å; L235-F240 HydrophobicContact CB-CZ 4.47Å; L235-F240 HydrophobicContact CD1-CE1 4.43Å; L235-F240 HydrophobicContact CD1-CE2 4.38Å; L235-F240 HydrophobicContact CD1-CZ 4.04Å; L235-F240 HydrophobicContact CD2-CD2 4.01Å; L235-F240 HydrophobicContact CD2-CE2 3.98Å; L235-F240 HydrophobicContact CD2-CG 4.45Å; L235-F240 HydrophobicContact CD2-CZ 4.37Å
236P82.1Confident79.6Confident21 Ų2144 Ų4414%0.13624%0.244CC..  trans-79.8105.7-175.229.1-32.3000112.4R182 L183 L184 F240R182-P236 HydrophobicContact CB-CG 4.22Å; R182-P236 HydrophobicContact CG-CB 4.43Å; L183-P236 WeakPolarHBondContact O-CD 3.44Å; L184-P236 HydrophobicContact CD2-CG 3.53Å; P236-F240 HydrophobicContact CG-CB 3.82Å
237G77.2Confident78.4Confident50 Ų5044.2 Ų44.252%0.51525%0.245SC..THydrogen-bonded Turntrans58.3-144.617200000113.3L235 F240L235-G237 PolarHBondContact O-N 3.37Å; G237-F240 WeakPolarHBondContact O-CD1 3.19Å
238H77.8Confident76.8Confident130 Ų13044.5 Ų44.560%0.60224%0.244SC*.THydrogen-bonded Turntrans-97.9-7.5179.9-61.191.5000113.5V211V211-H238 WeakPolarHBondContact CG2-O 3.35Å
239N83.8Confident75.2Confident41 Ų4150.7 Ų50.722%0.21927%0.27CS..  trans-118.962.6-171.5-68.9-26.4000110.9D319 F329 H333N239-D319 PolarHBondContact ND2-O 3.38Å; N239-F329 WeakPolarHBondContact O-CE2 3.29Å; N239-H333 PolarHBondContact O-CE1 3.38Å; N239-H333 PolarHBondContact O-NE2 3.11Å
240F89.5Confident73.5Confident1 Ų152.3 Ų52.30%0.00428%0.28CS..  trans-111.95.5177.363.2-96.2000113.4L184 F185 V211 I214 L235 P236 G237L184-F240 CarbonylContact C-O 3.52Å; L184-F240 WeakPolarHBondContact CA-O 3.47Å; L184-F240 HydrophobicContact CD2-CB 3.92Å; F185-F240 AromaticContact CD2-CD2 3.96Å; F185-F240 HydrophobicContact CD2-CD2 3.96Å; F185-F240 HydrophobicContact CD2-CE2 4.25Å; F185-F240 HydrophobicContact CE2-CD2 4.39Å; F185-F240 HydrophobicContact CE2-CE2 4.43Å; F185-F240 PolarHBondContact N-O 3.04Å; V211-F240 HydrophobicContact CB-CE1 4.43Å; V211-F240 HydrophobicContact CB-CZ 4.25Å; V211-F240 HydrophobicContact CG1-CE1 3.71Å; V211-F240 HydrophobicContact CG1-CZ 3.91Å; V211-F240 HydrophobicContact CG2-CE1 4.34Å; V211-F240 HydrophobicContact CG2-CZ 4.28Å; I214-F240 HydrophobicContact CB-CE2 4Å; I214-F240 HydrophobicContact CB-CZ 4.24Å; I214-F240 HydrophobicContact CD1-CE2 4Å; I214-F240 HydrophobicContact CG2-CE2 3.77Å; I214-F240 HydrophobicContact CG2-CZ 4.2Å; L235-F240 HydrophobicContact CB-CD1 4.17Å; L235-F240 HydrophobicContact CB-CE1 4.14Å; L235-F240 HydrophobicContact CB-CG 4.5Å; L235-F240 HydrophobicContact CB-CZ 4.47Å; L235-F240 HydrophobicContact CD1-CE1 4.43Å; L235-F240 HydrophobicContact CD1-CE2 4.38Å; L235-F240 HydrophobicContact CD1-CZ 4.04Å; L235-F240 HydrophobicContact CD2-CD2 4.01Å; L235-F240 HydrophobicContact CD2-CE2 3.98Å; L235-F240 HydrophobicContact CD2-CG 4.45Å; L235-F240 HydrophobicContact CD2-CZ 4.37Å; P236-F240 HydrophobicContact CG-CB 3.82Å; G237-F240 WeakPolarHBondContact O-CD1 3.19Å
241V89.1Confident71.5Confident7 Ų758 Ų584%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-120.2131179.1176.60000108.8F185 F187 I210 V211 I214F185-V241 HydrophobicContact CB-CG2 4.33Å; F185-V241 CarbonylContact O-C 3.48Å; F185-V241 WeakPolarHBondContact O-CA 3.34Å; F187-V241 HydrophobicContact CD2-CG1 3.69Å; F187-V241 HydrophobicContact CE2-CG1 3.74Å; I210-V241 HydrophobicContact CB-CG1 4.21Å; I210-V241 HydrophobicContact CG2-CG1 3.83Å; I210-V241 HydrophobicContact CG2-CG2 4.09Å; V211-V241 HydrophobicContact CB-CG2 4.45Å; V211-V241 HydrophobicContact CG2-CB 3.7Å; V211-V241 HydrophobicContact CG2-CG2 3.49Å; V211-V241 VanDerWaalsContact CG2-CG2 3.49Å; I214-V241 HydrophobicContact CD1-CG2 3.7Å
242H86.3Confident68.8Low3 Ų366.1 Ų66.11%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-126.3131.1172.2-173.652.1000110.7F185 V186 F187 E207 H324 L326 F329F185-H242 PolarHBondContact O-N 2.96Å; V186-H242 CarbonylContact C-O 3.57Å; V186-H242 WeakPolarHBondContact CA-O 3.36Å; F187-H242 PolarHBondContact N-O 3.07Å; E207-H242 IonicContact OE1-ND1 2.75Å; E207-H242 PolarHBondContact OE1-ND1 3.36Å; H242-H324 AromaticContact CE1-CD2 3.71Å; H242-H324 AromaticContact CE1-CE1 3.47Å; H242-H324 PolarHBondContact CE1-CE1 3Å; H242-H324 VanDerWaalsContact CE1-CE1 3.47Å; H242-H324 AromaticContact CE1-CG 3.88Å; H242-H324 AromaticContact CE1-ND1 3.77Å; H242-H324 AromaticContact CE1-NE2 3.44Å; H242-H324 PolarHBondContact CE1-NE2 3.32Å; H242-H324 AromaticContact ND1-CD2 3.94Å; H242-H324 AromaticContact ND1-CE1 3.93Å; H242-H324 AromaticContact ND1-NE2 3.52Å; H242-L326 PolarHBondContact NE2-N 2.73Å; H242-F329 HydrophobicContact CB-CD1 3.88Å; H242-F329 HydrophobicContact CB-CD2 4Å; H242-F329 HydrophobicContact CB-CE1 3.96Å; H242-F329 HydrophobicContact CB-CE2 4.09Å; H242-F329 HydrophobicContact CB-CG 3.89Å; H242-F329 HydrophobicContact CB-CZ 4.07Å
243V85.3Confident65.8Low0 Ų070.3 Ų70.30%038%0.383CS..EExtended strand (participates in β ladder)trans-100.9119.5176.8171.30000109.4F187 M189 V203 L206 E207 I210 H324F187-V243 HydrophobicContact CB-CG2 4.32Å; F187-V243 WeakPolarHBondContact O-CA 3.09Å; M189-V243 HydrophobicContact CE-CG1 4.03Å; M189-V243 HydrophobicContact CG-CG1 3.61Å; M189-V243 HydrophobicContact SD-CG1 4.02Å; V203-V243 HydrophobicContact CG1-CB 4.08Å; V203-V243 HydrophobicContact CG1-CG1 4.2Å; L206-V243 HydrophobicContact CD2-CG1 4.38Å; L206-V243 HydrophobicContact CD2-CG2 4.28Å; L206-V243 HydrophobicContact CG-CG2 4.45Å; E207-V243 HydrophobicContact CG-CB 3.97Å; E207-V243 HydrophobicContact CG-CG2 3.56Å; E207-V243 PolarHBondContact OE1-N 3.13Å; I210-V243 HydrophobicContact CD1-CG2 4.4Å; V243-H324 PolarHBondContact O-CE1 3.14Å
244L78.9Confident62.8Low28 Ų2874.8 Ų74.815%0.14741%0.414CS..EExtended strand (participates in β ladder)trans-92118.9174.3-72.3172.2000110.3V186 F187 K188 M189 L326V186-L244 HydrophobicContact CG1-CD1 3.4Å; V186-L244 HydrophobicContact CG1-CG 3.96Å; F187-L244 PolarHBondContact O-N 2.75Å; K188-L244 HydrophobicContact CG-CB 4.38Å; K188-L244 HydrophobicContact CG-CD1 4.06Å; M189-L244 PolarHBondContact N-O 2.98Å; M189-L244 VanDerWaalsContact N-O 3.11Å; L244-L326 HydrophobicContact CD1-CD2 4.35Å; L244-L326 HydrophobicContact CD2-CB 4.23Å
245L72.2Confident60.1Low50 Ų5082.4 Ų82.426%0.26245%0.446SS..PPolyproline II helixtrans-87.1156.5167.8-61.8110.9000110.5I197 V203 N247I197-L245 HydrophobicContact CB-CD2 3.99Å; I197-L245 HydrophobicContact CG2-CD2 3.99Å; V203-L245 HydrophobicContact CB-CD1 4.38Å; V203-L245 HydrophobicContact CG1-CD1 3.88Å; V203-L245 HydrophobicContact CG2-CD1 3.55Å; V203-L245 HydrophobicContact CG2-CD2 4.05Å; V203-L245 HydrophobicContact CG2-CG 4.37Å; L245-N247 PolarHBondContact O-N 2.8Å
246E59.2Low57.3Low60 Ų6089.3 Ų89.328%0.2848%0.477SS..SBendtrans-67.6108.3169.9-163.9-178.4177.900109.4P191 S194P191-E246 WeakPolarHBondContact CA-OE2 3.35Å; S194-E246 VanDerWaalsContact OG-CB 3.26Å; S194-E246 WeakPolarHBondContact OG-CB 3.32Å; S194-E246 PolarHBondContact OG-N 3.36Å; S194-E246 VanDerWaalsContact OG-N 3.14Å
247N45.3Very low54.7Low136 Ų13699.1 Ų99.173%0.72751%0.511SS*.  trans16961.6151.7-87.2-18.7000113.9L245L245-N247 PolarHBondContact O-N 2.8Å
248E39.8Very low52.5Low116 Ų116102.2 Ų102.254%0.54252%0.523SS..SBendtrans-122.7105.5157.8-69.1-172.3171.300108.3
249Q32.5Very low50.5Low172 Ų17298.4 Ų98.480%0.80451%0.511SS*.  trans9776.7174.1-51.8-179.92.500117.5
250T29.9Very low48.1Very low116 Ų116100.8 Ų100.871%0.71253%0.529SS*.  trans-124.675.5146.543.80000109.4
251K28.3Very low45.7Very low199 Ų199105 Ų10587%0.86555%0.549SS*.  trans-133.2130.1152.2-73.4-168.6177.5-177.90107.3
252E28.4Very low43.3Very low182 Ų182110 Ų11085%0.8558%0.576SS**SBendtrans94.886167.9-55.5-176.5178.300118.5S254E252-S254 PolarHBondContact O-N 3.3Å; E252-S254 VanDerWaalsContact O-N 3.09Å; E252-S254 PolarHBondContact O-OG 3.35Å
253G26.7Very low41Very low92 Ų92114.5 Ų114.595%0.94860%0.603SS**  77.59.2106.500000119.6
254S28.7Very low38.9Very low94 Ų94117.8 Ų117.866%0.65762%0.623SS**  trans-107.5126176.938.50000111.3E252 Q256E252-S254 PolarHBondContact O-N 3.3Å; E252-S254 VanDerWaalsContact O-N 3.09Å; E252-S254 PolarHBondContact O-OG 3.35Å; S254-Q256 PolarHBondContact O-N 2.83Å
255K31Very low37.4Very low213 Ų213119.3 Ų119.393%0.92663%0.629SS**  trans-4892-179.9-64.2169.3179.2175.70110.8R257K255-R257 PolarHBondContact O-N 3.4Å
256Q31.5Very low36.1Very low164 Ų164123.2 Ų123.277%0.76665%0.646SS**  trans-69.7115.1179.5-83.2170.7-11.700108.8S254S254-Q256 PolarHBondContact O-N 2.83Å
257R27Very low35.2Very low227 Ų227127.7 Ų127.786%0.85766%0.662SS**  trans-46.9135.6156.6-140.2174.8-170.6178.11.5106.9K255 S259K255-R257 PolarHBondContact O-N 3.4Å; R257-S259 PolarHBondContact O-N 3.32Å
258P31.2Very low35.4Very low116 Ų116126.5 Ų126.575%0.75365%0.65SS**  trans-52112.4-175.819.8-30.8000108.8
259S35.4Very low35.7Very low50 Ų50125.6 Ų125.635%0.3565%0.646SS.*  trans-67.1149.2-177.156.30000108.4R257 E261 D262R257-S259 PolarHBondContact O-N 3.32Å; S259-E261 PolarHBondContact O-N 3.22Å; S259-E261 PolarHBondContact OG-OE2 3Å; S259-D262 PolarHBondContact O-N 3.12Å
260C35Very low36.6Very low90 Ų90122.7 Ų122.761%0.60863%0.631SS**Hα-helixtrans-54.2-13175.8-171.70000113.2D262 V263 T264C260-D262 VanDerWaalsContact C-N 3.32Å; C260-D262 PolarHBondContact O-N 3.03Å; C260-V263 PolarHBondContact O-N 2.82Å; C260-T264 PolarHBondContact O-N 3.04Å; C260-T264 PolarHBondContact O-OG1 2.78Å
261E37.9Very low37.3Very low91 Ų91120.1 Ų120.143%0.42561%0.613SS.*Hα-helixtrans-59.4-38.3172.7-68.8163.5159.100112.5S259 T264 Q265S259-E261 PolarHBondContact O-N 3.22Å; S259-E261 PolarHBondContact OG-OE2 3Å; E261-T264 PolarHBondContact O-N 3.09Å; E261-Q265 WeakPolarHBondContact O-CB 3.41Å; E261-Q265 PolarHBondContact O-N 2.89Å
262D39.7Very low38Very low111 Ų111114.9 Ų114.959%0.59459%0.593SS**Hα-helixtrans-67.7-43.7-179-139.36.1000109.7S259 C260 T264 E266S259-D262 PolarHBondContact O-N 3.12Å; C260-D262 VanDerWaalsContact C-N 3.32Å; C260-D262 PolarHBondContact O-N 3.03Å; D262-T264 PolarHBondContact O-N 2.79Å; D262-E266 WeakPolarHBondContact O-CA 3.45Å; D262-E266 WeakPolarHBondContact O-CB 3.07Å; D262-E266 PolarHBondContact O-N 2.73Å
263V37.9Very low39Very low97 Ų97114.3 Ų114.359%0.58859%0.588SS**Hα-helixtrans-66-42.6178.4-171.40000111.8C260 Y267C260-V263 PolarHBondContact O-N 2.82Å; V263-Y267 WeakPolarHBondContact O-CB 2.8Å; V263-Y267 PolarHBondContact O-N 3.34Å
264T40.2Very low39.5Very low69 Ų69112.1 Ų112.142%0.42356%0.555SS.*Hα-helixtrans-76.2-39.3-175.7-43.70000111.5C260 E261 D262 Y267 F268C260-T264 PolarHBondContact O-N 3.04Å; C260-T264 PolarHBondContact O-OG1 2.78Å; E261-T264 PolarHBondContact O-N 3.09Å; D262-T264 PolarHBondContact O-N 2.79Å; T264-Y267 PolarHBondContact O-N 3.4Å; T264-F268 VanDerWaalsContact O-CB 3.28Å; T264-F268 WeakPolarHBondContact O-CB 3.12Å; T264-F268 PolarHBondContact O-N 3.36Å
265Q47.6Very low40.1Very low60 Ų60112.5 Ų112.528%0.2855%0.548SS..Hα-helixtrans-68.3-42.3174.4-168.688.221.800110E261 Y267 F268 E269E261-Q265 WeakPolarHBondContact O-CB 3.41Å; E261-Q265 PolarHBondContact O-N 2.89Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-Y267 PolarHBondContact O-N 2.75Å; Q265-F268 PolarHBondContact O-N 2.81Å; Q265-E269 HydrophobicContact CG-CG 4.35Å; Q265-E269 WeakPolarHBondContact O-CB 3.35Å; Q265-E269 WeakPolarHBondContact O-CG 3.39Å; Q265-E269 PolarHBondContact O-N 2.75Å
266E44.4Very low40.6Very low132 Ų132109.1 Ų109.162%0.61754%0.54SS*.Hα-helixtrans-64-39174.9-168.3177.9-14600111.1D262 F270D262-E266 WeakPolarHBondContact O-CA 3.45Å; D262-E266 WeakPolarHBondContact O-CB 3.07Å; D262-E266 PolarHBondContact O-N 2.73Å; E266-F270 WeakPolarHBondContact O-CA 3.46Å; E266-F270 WeakPolarHBondContact O-CB 3.41Å; E266-F270 PolarHBondContact O-N 3.13Å
267Y41.7Very low41Very low155 Ų155107.8 Ų107.861%0.60853%0.534SS*.Hα-helixtrans-69.1-38.1174.5-157.5-98.8000112.6V263 T264 Q265 F270 I271V263-Y267 WeakPolarHBondContact O-CB 2.8Å; V263-Y267 PolarHBondContact O-N 3.34Å; T264-Y267 PolarHBondContact O-N 3.4Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-Y267 PolarHBondContact O-N 2.75Å; Y267-F270 WeakPolarHBondContact O-CB 3.29Å; Y267-F270 PolarHBondContact O-N 2.9Å; Y267-I271 HydrophobicContact CD1-CD1 3.59Å; Y267-I271 HydrophobicContact CD1-CG1 4.28Å; Y267-I271 HydrophobicContact CE1-CD1 3.66Å; Y267-I271 HydrophobicContact CE1-CG1 4.3Å; Y267-I271 VanDerWaalsContact O-CG1 3.24Å; Y267-I271 WeakPolarHBondContact O-CG1 3.04Å; Y267-I271 PolarHBondContact O-N 2.68Å
268F48.5Very low41.4Very low110 Ų110102.2 Ų102.248%0.48252%0.52SS..Hα-helixtrans-73.6-41.8177.9-165-100.6000112T264 Q265 F270 I271 L272T264-F268 VanDerWaalsContact O-CB 3.28Å; T264-F268 WeakPolarHBondContact O-CB 3.12Å; T264-F268 PolarHBondContact O-N 3.36Å; Q265-F268 PolarHBondContact O-N 2.81Å; F268-F270 VanDerWaalsContact C-N 3.3Å; F268-I271 PolarHBondContact O-N 2.84Å; F268-L272 HydrophobicContact CD1-CD1 3.58Å; F268-L272 HydrophobicContact CD1-CG 4.17Å; F268-L272 HydrophobicContact CE1-CD1 3.43Å; F268-L272 VanDerWaalsContact CE1-CD1 3.43Å; F268-L272 HydrophobicContact CE1-CG 4.01Å; F268-L272 HydrophobicContact CZ-CD1 4.37Å; F268-L272 WeakPolarHBondContact O-CB 3.15Å; F268-L272 WeakPolarHBondContact O-CG 3.22Å; F268-L272 PolarHBondContact O-N 2.81Å
269E45.5Very low41.8Very low98 Ų98101.1 Ų101.146%0.45852%0.515SS..Hα-helixtrans-61.9-39.5169.3-73-74.3163.800110.2Q265 L272 K273Q265-E269 HydrophobicContact CG-CG 4.35Å; Q265-E269 WeakPolarHBondContact O-CB 3.35Å; Q265-E269 WeakPolarHBondContact O-CG 3.39Å; Q265-E269 PolarHBondContact O-N 2.75Å; E269-L272 PolarHBondContact O-N 2.85Å; E269-K273 WeakPolarHBondContact O-CB 3.36Å; E269-K273 PolarHBondContact O-N 3.32Å
270F53.1Low42.1Very low110 Ų110104.7 Ų104.748%0.48253%0.53SS..Hα-helixtrans-61.9-45.5173.7178.4-89.6000111.7E266 Y267 F268 N274E266-F270 WeakPolarHBondContact O-CA 3.46Å; E266-F270 WeakPolarHBondContact O-CB 3.41Å; E266-F270 PolarHBondContact O-N 3.13Å; Y267-F270 WeakPolarHBondContact O-CB 3.29Å; Y267-F270 PolarHBondContact O-N 2.9Å; F268-F270 VanDerWaalsContact C-N 3.3Å; F270-N274 WeakPolarHBondContact CD2-ND2 3.32Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.44Å; F270-N274 WeakPolarHBondContact CG-ND2 3.49Å; F270-N274 VanDerWaalsContact CZ-ND2 3.3Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.21Å; F270-N274 WeakPolarHBondContact O-CB 3.45Å; F270-N274 VanDerWaalsContact O-CG 3.28Å; F270-N274 PolarHBondContact O-N 2.79Å; F270-N274 PolarHBondContact O-ND2 2.94Å
271I43.3Very low41.9Very low63 Ų63108.3 Ų108.332%0.32354%0.54SS..Hα-helixtrans-61.7-52.2174.8-70.2163.4000109.9Y267 F268 K273 N274 I275Y267-I271 HydrophobicContact CD1-CD1 3.59Å; Y267-I271 HydrophobicContact CD1-CG1 4.28Å; Y267-I271 HydrophobicContact CE1-CD1 3.66Å; Y267-I271 HydrophobicContact CE1-CG1 4.3Å; Y267-I271 VanDerWaalsContact O-CG1 3.24Å; Y267-I271 WeakPolarHBondContact O-CG1 3.04Å; Y267-I271 PolarHBondContact O-N 2.68Å; F268-I271 PolarHBondContact O-N 2.84Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 2.9Å; I271-N274 PolarHBondContact O-N 2.95Å; I271-I275 HydrophobicContact CG2-CD1 4.02Å; I271-I275 HydrophobicContact CG2-CG1 4.23Å; I271-I275 VanDerWaalsContact O-CG1 3.26Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.17Å
272L42.6Very low41.7Very low89 Ų89109 Ų10947%0.46656%0.555SS.*Hα-helixtrans-59.8-42.2-178.4-77.5173.4000112.7F268 E269 N274 I275F268-L272 HydrophobicContact CD1-CD1 3.58Å; F268-L272 HydrophobicContact CD1-CG 4.17Å; F268-L272 HydrophobicContact CE1-CD1 3.43Å; F268-L272 VanDerWaalsContact CE1-CD1 3.43Å; F268-L272 HydrophobicContact CE1-CG 4.01Å; F268-L272 HydrophobicContact CZ-CD1 4.37Å; F268-L272 WeakPolarHBondContact O-CB 3.15Å; F268-L272 WeakPolarHBondContact O-CG 3.22Å; F268-L272 PolarHBondContact O-N 2.81Å; E269-L272 PolarHBondContact O-N 2.85Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-I275 HydrophobicContact CD2-CD1 4.47Å
273K49.4Very low41.4Very low169 Ų169110.3 Ų110.374%0.73557%0.567SS**Hα-helixtrans-73.7-28-178.3-153.5172.9-169177.60112E269 I271E269-K273 WeakPolarHBondContact O-CB 3.36Å; E269-K273 PolarHBondContact O-N 3.32Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 2.9Å
274N38.6Very low41.2Very low47 Ų47112.1 Ų112.125%0.25157%0.574SS.*Hα-helixtrans-99.6-5-178.9-64-41.2000114.7F270 I271 L272 N276 H277 I278F270-N274 WeakPolarHBondContact CD2-ND2 3.32Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.44Å; F270-N274 WeakPolarHBondContact CG-ND2 3.49Å; F270-N274 VanDerWaalsContact CZ-ND2 3.3Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.21Å; F270-N274 WeakPolarHBondContact O-CB 3.45Å; F270-N274 VanDerWaalsContact O-CG 3.28Å; F270-N274 PolarHBondContact O-N 2.79Å; F270-N274 PolarHBondContact O-ND2 2.94Å; I271-N274 PolarHBondContact O-N 2.95Å; L272-N274 VanDerWaalsContact C-N 3.34Å; N274-N276 PolarHBondContact O-N 2.93Å; N274-H277 CarbonylContact O-C 3.57Å; N274-H277 PolarHBondContact O-N 2.95Å; N274-I278 HydrophobicContact CB-CD1 4.08Å; N274-I278 HydrophobicContact CB-CG1 3.98Å; N274-I278 WeakPolarHBondContact O-CD1 3.48Å; N274-I278 WeakPolarHBondContact O-CG1 3.43Å; N274-I278 PolarHBondContact O-N 2.91Å
275I41.1Very low40.8Very low101 Ų101118 Ų11852%0.51859%0.593SS.*THydrogen-bonded Turntrans-52-30.2175.7-85.5162.9000112.6I271 L272I271-I275 HydrophobicContact CG2-CD1 4.02Å; I271-I275 HydrophobicContact CG2-CG1 4.23Å; I271-I275 VanDerWaalsContact O-CG1 3.26Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.17Å; L272-I275 HydrophobicContact CD2-CD1 4.47Å
276N42Very low39.9Very low143 Ų143123 Ų12377%0.76562%0.621SS**THydrogen-bonded Turntrans-85.5-9.7177.3-66.2-20.9000114.8N274N274-N276 PolarHBondContact O-N 2.93Å
277H39.9Very low39Very low135 Ų135121.6 Ų121.663%0.62562%0.622SS**THydrogen-bonded Turntrans-125.3-1.4-177.1-88.6-66.7000114.9N274 S279 D280N274-H277 CarbonylContact O-C 3.57Å; N274-H277 PolarHBondContact O-N 2.95Å; H277-S279 PolarHBondContact O-N 3.2Å; H277-D280 PolarHBondContact O-N 2.86Å
278I34.9Very low38.3Very low110 Ų110121.4 Ų121.456%0.56463%0.632SS**THydrogen-bonded Turntrans-62.9-10.3178.1-78.2160.6000112.7N274 D280N274-I278 HydrophobicContact CB-CD1 4.08Å; N274-I278 HydrophobicContact CB-CG1 3.98Å; N274-I278 WeakPolarHBondContact O-CD1 3.48Å; N274-I278 WeakPolarHBondContact O-CG1 3.43Å; N274-I278 PolarHBondContact O-N 2.91Å; I278-D280 VanDerWaalsContact C-N 3.29Å; I278-D280 PolarHBondContact O-N 2.8Å
279S40.1Very low37.2Very low94 Ų94124.6 Ų124.666%0.65765%0.653SS**THydrogen-bonded Turntrans-66.4-22.5174.655.50000114.7H277H277-S279 PolarHBondContact O-N 3.2Å
280D40Very low36.1Very low124 Ų124130.3 Ų130.366%0.66368%0.677SS**SBendtrans-136.718.4-162.6-67.2-58.9000118.2H277 I278H277-D280 PolarHBondContact O-N 2.86Å; I278-D280 VanDerWaalsContact C-N 3.29Å; I278-D280 PolarHBondContact O-N 2.8Å
281M30.9Very low34.6Very low167 Ų167127.4 Ų127.482%0.82368%0.678SS**  trans-116112.6-178.1-78.2-73.5134.500115.1
282S35.5Very low33.5Very low106 Ų106130.3 Ų130.374%0.74170%0.704SS**  trans-74143.5169.159.60000112.4D284S282-D284 VanDerWaalsContact C-N 3.31Å; S282-D284 PolarHBondContact O-N 3.44Å
283T31.8Very low32.6Very low138 Ų138136.7 Ų136.785%0.84772%0.723SS**SBendtrans-73.414.7-159.346.90000118.7
284D33.8Very low31.2Very low134 Ų134135.6 Ų135.672%0.71773%0.731SS**  trans-115.990.9-173.5-69.1-21.2000111.3S282S282-D284 VanDerWaalsContact C-N 3.31Å; S282-D284 PolarHBondContact O-N 3.44Å
285K32.5Very low30.4Very low192 Ų192141.8 Ų141.884%0.83576%0.756SS**  trans147.991.5149.2-80.3157.9-171.5-179.10112.2
286I27.6Very low29.6Very low167 Ų167145 Ų14586%0.85677%0.773SS**  trans-140.894.2149.4-53.3179.4000109.8
287P25.8Very low28.6Very low101 Ų101142 Ų14266%0.65676%0.763SS**  trans-104144161.230.7-18.9000112.4
288N27.2Very low27.8Very low152 Ų152142.1 Ų142.181%0.81377%0.774SS**  trans48.3103.9155.3-62.5-15.7000119.2
289L25Very low27.3Very low176 Ų176144 Ų14492%0.92179%0.785SS**  trans-147.680.1153.7-151.771.3000112.2
290F23.4Very low26.8Very low219 Ų219145 Ų14596%0.96179%0.792SS**  trans-73.5122.3153.7-84.4-92.3000107.8
291G21.1Very low26.2Very low48 Ų48145.9 Ų145.950%0.49580%0.797SS.*  trans17485.9175.600000115
292S20.7Very low26.1Very low125 Ų125145.8 Ų145.887%0.87480%0.799SS**  trans42.2112.9138.2-52.10000119.5
293Y23.3Very low25.7Very low223 Ų223146.7 Ų146.788%0.87581%0.806SS**  trans-142123.8151.922.8-86.3000111
294T21Very low25.6Very low145 Ų145144.4 Ų144.489%0.8980%0.801SS**  trans-79.2132.6-172.3-6.40000110.8
295F21.4Very low25.2Very low178 Ų178143.7 Ų143.778%0.78181%0.807SS**  trans-75.3125.9178.5-173.8-97.7000110.8S297F295-S297 WeakPolarHBondContact CE1-OG 3.44Å
296L23.1Very low25Very low168 Ų168139.9 Ų139.988%0.8880%0.804SS**  trans-104.5109.4167-80.9169.7000108.7
297S21.4Very low24.9Very low79 Ų79138.7 Ų138.755%0.55281%0.805SS**  trans-68.6135.9171-50.80000110.9F295F295-S297 WeakPolarHBondContact CE1-OG 3.44Å
298T24.1Very low25Very low139 Ų139138.6 Ų138.685%0.85381%0.807SS**  trans-123.5110157.138.10000108.2
299D24.2Very low25.1Very low148 Ų148136.9 Ų136.979%0.79180%0.804SS**  trans-65132.3175.2-66.5-47.1000111.1
300S29.8Very low25.2Very low115 Ų115134.2 Ų134.280%0.80480%0.797SS**  trans-137.787.7156.863.40000108.4D302S300-D302 PolarHBondContact O-N 3.19Å
301N26.3Very low25.2Very low144 Ų144128 Ų12877%0.7778%0.781SS**  trans-74.3111.1164.8-82.2-35.7000108.4
302D29.5Very low25.6Very low164 Ų164130.8 Ų130.888%0.87779%0.79SS**  trans-138.788.8155.3-93.7-33.7000108.8S300S300-D302 PolarHBondContact O-N 3.19Å
303S27.3Very low26Very low125 Ų125136.1 Ų136.187%0.87479%0.791SS**  trans-101.396.1167-64.10000107.8
304A29.6Very low26.3Very low90 Ų90131.9 Ų131.974%0.74478%0.783SS**  trans-132101.4166.800000109.4S306A304-S306 PolarHBondContact O-N 3.01Å
305S25.7Very low26.6Very low120 Ų120133.4 Ų133.484%0.83978%0.778SS**  trans-61.5110.316756.80000109.7
306S27.1Very low27.3Very low111 Ų111127.7 Ų127.778%0.77676%0.759SS**  trans-118.1105.6161.570.70000109.2A304 S308A304-S306 PolarHBondContact O-N 3.01Å; S306-S308 PolarHBondContact O-N 3.24Å
307T26Very low28.4Very low142 Ų142122.6 Ų122.687%0.87174%0.741SS**  trans-84.287.6178.2-47.70000107.9
308S27.3Very low29.7Very low100 Ų100124.8 Ų124.870%0.69975%0.753SS**PPolyproline II helixtrans-91.2134165.760.60000109.8S306S306-S308 PolarHBondContact O-N 3.24Å
309P29.8Very low31.2Very low115 Ų115122.6 Ų122.675%0.74774%0.737SS**PPolyproline II helixtrans-64.3148.2-174.324.5-32.1000112.4S311P309-S311 PolarHBondContact O-N 3.16Å
310P27.9Very low33.2Very low120 Ų120117.8 Ų117.878%0.77971%0.709SS**PPolyproline II helixtrans-70.8124.7-174.9-8.123.7000110.5
311S23.7Very low34.7Very low89 Ų89113.2 Ų113.262%0.62268%0.677SS**PPolyproline II helixtrans-67.2147172-160.30000110.4P309 R313 N314P309-S311 PolarHBondContact O-N 3.16Å; S311-R313 PolarHBondContact O-N 3.32Å; S311-N314 PolarHBondContact O-N 3.29Å
312P28.8Very low36.4Very low107 Ų107110.8 Ų110.870%0.69568%0.677SS**THydrogen-bonded Turntrans-67.71.6-166.4-17.130.5000116.1N314P312-N314 VanDerWaalsContact C-N 3.34Å
313R28Very low38.2Very low236 Ų236108.9 Ų108.989%0.89166%0.663SS**THydrogen-bonded Turntrans-84.4-1178.9-84.1-168.3-166.7156.54.3114.9S311S311-R313 PolarHBondContact O-N 3.32Å
314N30.6Very low40.6Very low134 Ų134107 Ų10772%0.71764%0.64SS**  trans-105.735.2-179.5-72.4-16.9000113.1S311 P312 P316S311-N314 PolarHBondContact O-N 3.29Å; P312-N314 VanDerWaalsContact C-N 3.34Å; N314-P316 VanDerWaalsContact O-CD 3.26Å; N314-P316 WeakPolarHBondContact O-CD 3.39Å
315F26.3Very low42.9Very low178 Ų178104.1 Ų104.178%0.78161%0.612SS**PPolyproline II helixtrans-73.9117.1162-81.4-82.1000108
316P36.6Very low45.6Very low58 Ų5898.5 Ų98.538%0.37757%0.573SS.*PPolyproline II helixtrans-56.3155.3168.8-15.829.6000109.3N314 Q320N314-P316 VanDerWaalsContact O-CD 3.26Å; N314-P316 WeakPolarHBondContact O-CD 3.39Å; P316-Q320 HydrophobicContact CB-CB 3.65Å; P316-Q320 HydrophobicContact CB-CG 3.79Å
317A46.3Very low48Very low61 Ų6194.5 Ų94.550%0.50454%0.544SS..PPolyproline II helixtrans-49.6146.6167.300000109.4D319 Q320A317-D319 PolarHBondContact O-N 3.28Å; A317-Q320 WeakPolarHBondContact O-CB 3.42Å; A317-Q320 PolarHBondContact O-N 3.25Å
318P48.8Very low50.7Low125 Ų12588.8 Ų88.881%0.81251%0.511SS*.THydrogen-bonded Turntrans-54.5-22.9-169.316.7-29.9000114.6
319D56.3Low53.6Low93 Ų9384.2 Ų84.250%0.49748%0.478SS..THydrogen-bonded Turntrans-99.810.8179.2-56-29000113.9N239 A317 L332N239-D319 PolarHBondContact ND2-O 3.38Å; A317-D319 PolarHBondContact O-N 3.28Å; D319-L332 WeakPolarHBondContact O-CD2 3.39Å
320Q64.8Low56.3Low46 Ų4678.9 Ų78.922%0.21544%0.443CS..SBendtrans-95.9132.6-176.8176.1159.466.800111.1R204 P316 A317R204-Q320 VanDerWaalsContact CZ-NE2 3.25Å; R204-Q320 VanDerWaalsContact NH1-CD 3.33Å; P316-Q320 HydrophobicContact CB-CB 3.65Å; P316-Q320 HydrophobicContact CB-CG 3.79Å; A317-Q320 WeakPolarHBondContact O-CB 3.42Å; A317-Q320 PolarHBondContact O-N 3.25Å
321P61.9Low58.9Low19 Ų1976.2 Ų76.212%0.12342%0.42CS..  trans-61.8142.717924.3-35.2000111.8Q323P321-Q323 VanDerWaalsContact C-N 3.27Å; P321-Q323 PolarHBondContact O-N 2.92Å
322A61.1Low61.9Low94 Ų9473.9 Ų73.978%0.77740%0.401SS*.SBendtrans-61-35.7-177.200000112.9
323Q69.1Low64.7Low123 Ų12369.4 Ų69.458%0.57537%0.37SS*.SBendtrans-125.8145.1174.6-61.5175.2-3.100108.9P321 N325 S328P321-Q323 VanDerWaalsContact C-N 3.27Å; P321-Q323 PolarHBondContact O-N 2.92Å; Q323-N325 PolarHBondContact O-N 3.32Å; Q323-N325 PolarHBondContact OE1-ND2 3.21Å; Q323-S328 WeakPolarHBondContact O-CB 3.46Å
324H76.3Confident67.5Low86 Ų8658.4 Ų58.440%0.39833%0.329SS..SBendtrans-80.469.7175.4-168.5-97.8000109.5E207 H242 V243E207-H324 IonicContact OE1-CD2 3.78Å; E207-H324 IonicContact OE1-CE1 3.66Å; E207-H324 IonicContact OE1-NE2 3.56Å; E207-H324 PolarHBondContact OE1-NE2 3.27Å; E207-H324 IonicContact OE2-NE2 3.53Å; H242-H324 AromaticContact CE1-CD2 3.71Å; H242-H324 AromaticContact CE1-CE1 3.47Å; H242-H324 PolarHBondContact CE1-CE1 3Å; H242-H324 VanDerWaalsContact CE1-CE1 3.47Å; H242-H324 AromaticContact CE1-CG 3.88Å; H242-H324 AromaticContact CE1-ND1 3.77Å; H242-H324 AromaticContact CE1-NE2 3.44Å; H242-H324 PolarHBondContact CE1-NE2 3.32Å; H242-H324 AromaticContact ND1-CD2 3.94Å; H242-H324 AromaticContact ND1-CE1 3.93Å; H242-H324 AromaticContact ND1-NE2 3.52Å; V243-H324 PolarHBondContact O-CE1 3.14Å
325N79Confident70.1Confident29 Ų2957.7 Ų57.716%0.15532%0.322CS..SBendtrans-136155.5174.559.627.5000109.7Q323 S327 S328 F329Q323-N325 PolarHBondContact O-N 3.32Å; Q323-N325 PolarHBondContact OE1-ND2 3.21Å; N325-S327 PolarHBondContact O-N 3.39Å; N325-S328 PolarHBondContact O-N 3.03Å; N325-S328 WeakPolarHBondContact OD1-CA 3.48Å; N325-S328 WeakPolarHBondContact OD1-CB 3.28Å; N325-S328 PolarHBondContact OD1-N 3.18Å; N325-S328 PolarHBondContact OD1-OG 3.19Å; N325-F329 PolarHBondContact O-N 2.99Å; N325-F329 VanDerWaalsContact O-N 3.1Å
326L81.4Confident72.8Confident3 Ų351.2 Ų51.22%0.01630%0.298CS..Hα-helixtrans-60.8-34.8-177.5-175.757.5000111.6N50 S53 V186 H242 L244 F329 L330N50-L326 HydrophobicContact CB-CD2 3.78Å; S53-L326 WeakPolarHBondContact OG-CD2 3.41Å; V186-L326 HydrophobicContact CG1-CD1 4.39Å; V186-L326 HydrophobicContact CG2-CD1 3.64Å; H242-L326 PolarHBondContact NE2-N 2.73Å; L244-L326 HydrophobicContact CD1-CD2 4.35Å; L244-L326 HydrophobicContact CD2-CB 4.23Å; L326-F329 HydrophobicContact CD1-CD1 4.13Å; L326-F329 PolarHBondContact O-N 3.32Å; L326-L330 HydrophobicContact CD1-CD1 4.17Å; L326-L330 HydrophobicContact CD1-CG 4.09Å; L326-L330 HydrophobicContact CG-CD1 4.04Å; L326-L330 HydrophobicContact CG-CG 4.36Å; L326-L330 WeakPolarHBondContact O-CG 3.26Å; L326-L330 PolarHBondContact O-N 3.29Å
327S78.9Confident75.1Confident26 Ų2649.3 Ų49.318%0.18229%0.285CS..Hα-helixtrans-59.5-55.1177.9-169.90000112S53 Y54 N325 F329 L330 H331S53-S327 WeakPolarHBondContact O-CB 3.45Å; Y54-S327 PolarHBondContact O-OG 3.23Å; N325-S327 PolarHBondContact O-N 3.39Å; S327-F329 VanDerWaalsContact C-N 3.29Å; S327-F329 PolarHBondContact O-N 2.86Å; S327-L330 PolarHBondContact O-N 3.14Å; S327-H331 WeakPolarHBondContact O-CB 3.26Å; S327-H331 PolarHBondContact O-CD2 2.98Å; S327-H331 VanDerWaalsContact O-CD2 3.25Å; S327-H331 PolarHBondContact O-N 3.39Å; S327-H331 PolarHBondContact OG-CD2 2.94Å
328S82.6Confident76.7Confident23 Ų2349.3 Ų49.316%0.16128%0.276CS..Hα-helixtrans-64-36.5179.7-58.30000111.7Q323 N325 L332Q323-S328 WeakPolarHBondContact O-CB 3.46Å; N325-S328 PolarHBondContact O-N 3.03Å; N325-S328 WeakPolarHBondContact OD1-CA 3.48Å; N325-S328 WeakPolarHBondContact OD1-CB 3.28Å; N325-S328 PolarHBondContact OD1-N 3.18Å; N325-S328 PolarHBondContact OD1-OG 3.19Å; S328-L332 VanDerWaalsContact O-CB 3.28Å; S328-L332 WeakPolarHBondContact O-CB 3.31Å; S328-L332 PolarHBondContact O-N 2.96Å
329F86.9Confident78.1Confident4 Ų447.1 Ų47.12%0.01826%0.257CS..Hα-helixtrans-60.5-49.8175.6175.4-104.2000111.6L184 N239 H242 N325 L326 S327 H333L184-F329 HydrophobicContact CB-CE1 4.23Å; L184-F329 HydrophobicContact CB-CZ 4.4Å; L184-F329 HydrophobicContact CD1-CE1 4.06Å; L184-F329 HydrophobicContact CD1-CZ 4.45Å; L184-F329 HydrophobicContact CD2-CZ 4.19Å; N239-F329 WeakPolarHBondContact O-CE2 3.29Å; H242-F329 HydrophobicContact CB-CD1 3.88Å; H242-F329 HydrophobicContact CB-CD2 4Å; H242-F329 HydrophobicContact CB-CE1 3.96Å; H242-F329 HydrophobicContact CB-CE2 4.09Å; H242-F329 HydrophobicContact CB-CG 3.89Å; H242-F329 HydrophobicContact CB-CZ 4.07Å; N325-F329 PolarHBondContact O-N 2.99Å; N325-F329 VanDerWaalsContact O-N 3.1Å; L326-F329 HydrophobicContact CD1-CD1 4.13Å; L326-F329 PolarHBondContact O-N 3.32Å; S327-F329 VanDerWaalsContact C-N 3.29Å; S327-F329 PolarHBondContact O-N 2.86Å; F329-H333 AromaticContact CE2-CD2 3.95Å; F329-H333 AromaticContact CE2-NE2 3.39Å; F329-H333 WeakPolarHBondContact CE2-NE2 3.34Å; F329-H333 AromaticContact CZ-CD2 3.85Å; F329-H333 AromaticContact CZ-NE2 3.47Å; F329-H333 WeakPolarHBondContact CZ-NE2 3.47Å; F329-H333 PolarHBondContact O-CD2 3.15Å; F329-H333 PolarHBondContact O-N 2.83Å
330L86.3Confident79Confident2 Ų246.1 Ų46.11%0.0125%0.25CC..Hα-helixtrans-69.5-41.6177.8-68.2177.1000112.1F35 Y54 V129 L184 L326 S327 L332 H333 V334F35-L330 HydrophobicContact CZ-CD1 3.98Å; Y54-L330 HydrophobicContact CD2-CB 3.57Å; Y54-L330 HydrophobicContact CD2-CD1 3.88Å; Y54-L330 HydrophobicContact CD2-CG 4.37Å; Y54-L330 HydrophobicContact CE2-CB 3.61Å; Y54-L330 HydrophobicContact CG-CD1 4.44Å; V129-L330 HydrophobicContact CG2-CD2 4.04Å; L184-L330 HydrophobicContact CD1-CD2 4.02Å; L326-L330 HydrophobicContact CD1-CD1 4.17Å; L326-L330 HydrophobicContact CD1-CG 4.09Å; L326-L330 HydrophobicContact CG-CD1 4.04Å; L326-L330 HydrophobicContact CG-CG 4.36Å; L326-L330 WeakPolarHBondContact O-CG 3.26Å; L326-L330 PolarHBondContact O-N 3.29Å; S327-L330 PolarHBondContact O-N 3.14Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 2.61Å; L330-H333 PolarHBondContact O-N 2.94Å; L330-H333 VanDerWaalsContact O-N 3.17Å; L330-V334 VanDerWaalsContact O-CG2 3.3Å; L330-V334 WeakPolarHBondContact O-CG2 3.38Å; L330-V334 PolarHBondContact O-N 3.13Å
331H83.9Confident79.4Confident64 Ų6445.2 Ų45.230%0.29625%0.25SS..Hα-helixtrans-58.5-46.5179.5-92.6-68.7000111.4Y54 S327 H333 V334 E335Y54-H331 AromaticContact CD2-CD2 3.98Å; Y54-H331 HydrophobicContact CE2-CB 4.38Å; Y54-H331 AromaticContact CE2-CD2 3.47Å; Y54-H331 VanDerWaalsContact CE2-CD2 3.47Å; Y54-H331 WeakPolarHBondContact CE2-CD2 3.35Å; Y54-H331 AromaticContact CE2-CE1 3.86Å; Y54-H331 AromaticContact CE2-CG 3.67Å; Y54-H331 AromaticContact CE2-ND1 3.9Å; Y54-H331 AromaticContact CE2-NE2 3.61Å; Y54-H331 AromaticContact CZ-CD2 3.91Å; Y54-H331 AromaticContact CZ-CE1 3.46Å; Y54-H331 VanDerWaalsContact CZ-CE1 3.46Å; Y54-H331 AromaticContact CZ-CG 3.99Å; Y54-H331 AromaticContact CZ-ND1 3.72Å; Y54-H331 AromaticContact CZ-NE2 3.57Å; Y54-H331 PolarHBondContact OH-CE1 2.91Å; Y54-H331 VanDerWaalsContact OH-CE1 3.26Å; Y54-H331 PolarHBondContact OH-ND1 3.32Å; S327-H331 WeakPolarHBondContact O-CB 3.26Å; S327-H331 PolarHBondContact O-CD2 2.98Å; S327-H331 VanDerWaalsContact O-CD2 3.25Å; S327-H331 PolarHBondContact O-N 3.39Å; S327-H331 PolarHBondContact OG-CD2 2.94Å; H331-H333 VanDerWaalsContact C-N 3.3Å; H331-H333 PolarHBondContact O-N 3.17Å; H331-V334 PolarHBondContact O-N 3Å; H331-E335 VanDerWaalsContact O-CB 3.24Å; H331-E335 WeakPolarHBondContact O-CB 3.34Å; H331-E335 PolarHBondContact O-N 2.91Å
332L85.8Confident79.8Confident41 Ų4148 Ų4822%0.21527%0.269CS..Hα-helixtrans-53.3-47.5175.6177.984.4000111.7D319 S328 L330 S336D319-L332 WeakPolarHBondContact O-CD2 3.39Å; S328-L332 VanDerWaalsContact O-CB 3.28Å; S328-L332 WeakPolarHBondContact O-CB 3.31Å; S328-L332 PolarHBondContact O-N 2.96Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 2.61Å; L332-S336 WeakPolarHBondContact O-CB 2.93Å; L332-S336 PolarHBondContact O-N 3.19Å
333H88.2Confident79.8Confident12 Ų1248.4 Ų48.46%0.05626%0.259CS..Hα-helixtrans-68.5-39.6-179.4-76.6-56.1000113.1F127 L184 N239 F329 L330 H331 M337F127-H333 HydrophobicContact CE1-CB 3.75Å; F127-H333 HydrophobicContact CZ-CB 4.15Å; F127-H333 WeakPolarHBondContact CZ-O 3.3Å; L184-H333 HydrophobicContact CD1-CB 4.34Å; L184-H333 WeakPolarHBondContact CD2-NE2 3.45Å; N239-H333 PolarHBondContact O-CE1 3.38Å; N239-H333 PolarHBondContact O-NE2 3.11Å; F329-H333 AromaticContact CE2-CD2 3.95Å; F329-H333 AromaticContact CE2-NE2 3.39Å; F329-H333 WeakPolarHBondContact CE2-NE2 3.34Å; F329-H333 AromaticContact CZ-CD2 3.85Å; F329-H333 AromaticContact CZ-NE2 3.47Å; F329-H333 WeakPolarHBondContact CZ-NE2 3.47Å; F329-H333 PolarHBondContact O-CD2 3.15Å; F329-H333 PolarHBondContact O-N 2.83Å; L330-H333 PolarHBondContact O-N 2.94Å; L330-H333 VanDerWaalsContact O-N 3.17Å; H331-H333 VanDerWaalsContact C-N 3.3Å; H331-H333 PolarHBondContact O-N 3.17Å; H333-M337 PolarHBondContact O-N 3.29Å; H333-M337 VanDerWaalsContact O-N 3.13Å
334V86.9Confident79.2Confident6 Ų649.2 Ų49.24%0.03626%0.261CS..Hα-helixtrans-67.4-47.7178.6172.30000110.6T31 I33 V79 F127 L330 H331 M337 I338T31-V334 HydrophobicContact CG2-CG1 4.37Å; T31-V334 HydrophobicContact CG2-CG2 4.43Å; I33-V334 HydrophobicContact CD1-CG2 3.58Å; V79-V334 HydrophobicContact CG2-CG1 4.14Å; F127-V334 HydrophobicContact CE2-CG2 4.4Å; L330-V334 VanDerWaalsContact O-CG2 3.3Å; L330-V334 WeakPolarHBondContact O-CG2 3.38Å; L330-V334 PolarHBondContact O-N 3.13Å; H331-V334 PolarHBondContact O-N 3Å; V334-M337 PolarHBondContact O-N 2.74Å; V334-M337 VanDerWaalsContact O-N 3.13Å; V334-I338 HydrophobicContact CG1-CD1 3.76Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CG1 3.35Å; V334-I338 PolarHBondContact O-N 3.14Å
335E84.5Confident77.6Confident118 Ų11852.2 Ų52.255%0.55128%0.279SS*.Hα-helixtrans-59.3-48176.6-172.7171.4-159.300110.7H331 M337 I338 D339H331-E335 VanDerWaalsContact O-CB 3.24Å; H331-E335 WeakPolarHBondContact O-CB 3.34Å; H331-E335 PolarHBondContact O-N 2.91Å; E335-M337 PolarHBondContact O-N 3.21Å; E335-I338 PolarHBondContact O-N 3.33Å; E335-D339 WeakPolarHBondContact O-CB 3.45Å; E335-D339 PolarHBondContact O-N 3.18Å
336S83.8Confident75.8Confident42 Ų4255.8 Ų55.829%0.29431%0.307SS..Hα-helixtrans-53.5-38.9173.5172.20000113.2L332 Q340L332-S336 WeakPolarHBondContact O-CB 2.93Å; L332-S336 PolarHBondContact O-N 3.19Å; S336-Q340 WeakPolarHBondContact O-CB 3.33Å; S336-Q340 VanDerWaalsContact O-CG 3.23Å; S336-Q340 WeakPolarHBondContact O-CG 3.28Å; S336-Q340 PolarHBondContact O-N 2.64Å; S336-Q340 VanDerWaalsContact O-N 3.14Å
337M83.4Confident73.5Confident19 Ų1960.8 Ų60.89%0.09434%0.342CS..Hα-helixtrans-75.9-37.9178.2-169.3-171.668.700112.4T31 H126 F127 H333 V334 E335 D339 Q340 A341 L357T31-M337 HydrophobicContact CG2-CE 3.26Å; T31-M337 WeakPolarHBondContact OG1-CE 3.13Å; H126-M337 HydrophobicContact CB-CE 4.11Å; H126-M337 HydrophobicContact CB-SD 3.76Å; F127-M337 HydrophobicContact CD2-SD 4.3Å; F127-M337 HydrophobicContact CE2-CB 4.15Å; F127-M337 HydrophobicContact CE2-CE 3.71Å; F127-M337 HydrophobicContact CE2-CG 4.42Å; F127-M337 HydrophobicContact CE2-SD 3.44Å; F127-M337 WeakPolarHBondContact CE2-SD 3.14Å; F127-M337 HydrophobicContact CZ-CB 3.9Å; F127-M337 HydrophobicContact CZ-CG 4.43Å; F127-M337 HydrophobicContact CZ-SD 3.9Å; H333-M337 PolarHBondContact O-N 3.29Å; H333-M337 VanDerWaalsContact O-N 3.13Å; V334-M337 PolarHBondContact O-N 2.74Å; V334-M337 VanDerWaalsContact O-N 3.13Å; E335-M337 PolarHBondContact O-N 3.21Å; M337-D339 VanDerWaalsContact C-N 3.34Å; M337-Q340 PolarHBondContact O-N 3.46Å; M337-A341 WeakPolarHBondContact O-CB 3.29Å; M337-A341 PolarHBondContact O-N 2.9Å; M337-L357 HydrophobicContact CE-CD2 3.67Å
338I80.8Confident71.3Confident61 Ų6169.6 Ų69.631%0.31338%0.377SS..Hα-helixtrans-64.7-41.4176.2-68.5169.2000110.3V334 E335 A341 S342 L357V334-I338 HydrophobicContact CG1-CD1 3.76Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CG1 3.35Å; V334-I338 PolarHBondContact O-N 3.14Å; E335-I338 PolarHBondContact O-N 3.33Å; I338-A341 PolarHBondContact O-N 3Å; I338-A341 VanDerWaalsContact O-N 3.17Å; I338-S342 WeakPolarHBondContact O-CB 3.48Å; I338-S342 PolarHBondContact O-N 3.4Å; I338-S342 PolarHBondContact O-OG 3.43Å; I338-L357 HydrophobicContact CG1-CD1 4.46Å
339D78.1Confident69Low78 Ų7871.9 Ų71.942%0.41740%0.404SS..Hα-helixtrans-65.5-39.1176.5-73.5-17.6000112.3E335 M337 A341 S342 N343E335-D339 WeakPolarHBondContact O-CB 3.45Å; E335-D339 PolarHBondContact O-N 3.18Å; M337-D339 VanDerWaalsContact C-N 3.34Å; D339-A341 VanDerWaalsContact C-N 3.32Å; D339-S342 WeakPolarHBondContact CA-OG 3.24Å; D339-S342 PolarHBondContact O-N 3.29Å; D339-S342 PolarHBondContact O-OG 3.11Å; D339-N343 WeakPolarHBondContact O-CB 3.46Å; D339-N343 PolarHBondContact O-N 3.01Å; D339-N343 PolarHBondContact O-ND2 2.72Å
340Q76.1Confident66.8Low73 Ų7380.9 Ų80.934%0.34145%0.446SS..Hα-helixtrans-66.9-34.3172.1-74.6178.214.500112.4R182 S336 M337R182-Q340 VanDerWaalsContact NH2-CD 3.28Å; S336-Q340 WeakPolarHBondContact O-CB 3.33Å; S336-Q340 VanDerWaalsContact O-CG 3.23Å; S336-Q340 WeakPolarHBondContact O-CG 3.28Å; S336-Q340 PolarHBondContact O-N 2.64Å; S336-Q340 VanDerWaalsContact O-N 3.14Å; M337-Q340 PolarHBondContact O-N 3.46Å
341A73.5Confident64.6Low27 Ų2786.4 Ų86.422%0.22348%0.481CS..Hα-helixtrans-74.8-27.7177.600000112.9M337 I338 D339 L357M337-A341 WeakPolarHBondContact O-CB 3.29Å; M337-A341 PolarHBondContact O-N 2.9Å; I338-A341 PolarHBondContact O-N 3Å; I338-A341 VanDerWaalsContact O-N 3.17Å; D339-A341 VanDerWaalsContact C-N 3.32Å; A341-L357 HydrophobicContact CB-CD1 4.15Å; A341-L357 HydrophobicContact CB-CG 4.17Å
342S69.6Low63Low76 Ų7686.7 Ų86.753%0.53149%0.494SS..Hα-helixtrans-81.5-38.9177.368.70000112.1I338 D339 K344I338-S342 WeakPolarHBondContact O-CB 3.48Å; I338-S342 PolarHBondContact O-N 3.4Å; I338-S342 PolarHBondContact O-OG 3.43Å; D339-S342 WeakPolarHBondContact CA-OG 3.24Å; D339-S342 PolarHBondContact O-N 3.29Å; D339-S342 PolarHBondContact O-OG 3.11Å; S342-K344 PolarHBondContact O-N 3.01Å; S342-K344 VanDerWaalsContact O-N 3.12Å
343N61.5Low61.6Low103 Ų10387.9 Ų87.955%0.55150%0.503SS*.  trans-85.771.8-179-72.4-32.7000112.7D339 N345D339-N343 WeakPolarHBondContact O-CB 3.46Å; D339-N343 PolarHBondContact O-N 3.01Å; D339-N343 PolarHBondContact O-ND2 2.72Å; N343-N345 PolarHBondContact O-N 3.16Å
344K55.1Low60.3Low141 Ų14189.3 Ų89.361%0.61352%0.517SS*.THydrogen-bonded Turntrans-65.1-5.3172.8-76.9-171.6176.2-176.60114.7S342 E356S342-K344 PolarHBondContact O-N 3.01Å; S342-K344 VanDerWaalsContact O-N 3.12Å; K344-E356 IonicContact NZ-OE2 2.68Å; K344-E356 PolarHBondContact NZ-OE2 3.46Å
345N44.4Very low59.6Low149 Ų14990.6 Ų90.680%0.79752%0.521SS*.THydrogen-bonded Turntrans-109.12.2-166.9-72.12.1000116.2N343 S347N343-N345 PolarHBondContact O-N 3.16Å; N345-S347 PolarHBondContact O-N 3.35Å
346S39.7Very low59.5Low104 Ų10487.6 Ų87.673%0.72751%0.507SS*.  trans-81.192.5178.970.90000111.6F348S346-F348 PolarHBondContact O-N 3.47Å
347S33.7Very low59.7Low108 Ų10886.3 Ų86.376%0.75550%0.497SS*.  trans-86.570.2171.135.90000109.9N345N345-S347 PolarHBondContact O-N 3.35Å
348F32.3Very low60Low210 Ų21085.5 Ų85.592%0.92149%0.493SS*.SBendtrans-164.6114.6168-119.1-86000110S346S346-F348 PolarHBondContact O-N 3.47Å
349G34.6Very low60.4Low71 Ų7185 Ų8573%0.73249%0.493SS*.SBendtrans97.2140.6173.800000114.5T351G349-T351 PolarHBondContact O-N 2.9Å
350Q40Very low60.8Low193 Ų19381.4 Ų81.490%0.90247%0.474SS*.THydrogen-bonded Turntrans-8.2106.7-179.6-62.6178.717.500114.4A352Q350-A352 VanDerWaalsContact C-N 3.34Å; Q350-A352 PolarHBondContact O-N 3.1Å
351T40.9Very low61.3Low119 Ų11979.9 Ų79.973%0.7347%0.466SS*.THydrogen-bonded Turntrans-23.284.1175.730.90000114.2G349 V353G349-T351 PolarHBondContact O-N 2.9Å; T351-V353 PolarHBondContact O-N 3.5Å
352A50.1Low62Low70 Ų7078.6 Ų78.658%0.57946%0.455SS*.  trans-69.3107.3166.700000105.2Q350 A354Q350-A352 VanDerWaalsContact C-N 3.34Å; Q350-A352 PolarHBondContact O-N 3.1Å; A352-A354 PolarHBondContact O-N 2.75Å
353V55.6Low63.1Low66 Ų6675 Ų7540%0.443%0.43SS..  trans-69.487177.1-175.30000106.9T351 Y355T351-V353 PolarHBondContact O-N 3.5Å; V353-Y355 HydrophobicContact CB-CE2 4.11Å; V353-Y355 HydrophobicContact CG1-CD2 4.32Å; V353-Y355 HydrophobicContact CG1-CE1 4.08Å; V353-Y355 HydrophobicContact CG1-CE2 3.7Å; V353-Y355 VanDerWaalsContact O-CD2 3.23Å; V353-Y355 WeakPolarHBondContact O-CD2 3.25Å; V353-Y355 WeakPolarHBondContact O-CE2 3.37Å; V353-Y355 PolarHBondContact O-N 3.07Å
354A61.2Low64.5Low42 Ų4270 Ų7035%0.34740%0.404SS..  trans-73.4107.1177.400000108.6A352A352-A354 PolarHBondContact O-N 2.75Å
355Y72.5Confident66.1Low33 Ų3365.2 Ų65.213%0.12938%0.384CS..PPolyproline II helixtrans-78.9133176.8-70-83.1000110.5D171 I180 V353 L357D171-Y355 HydrophobicContact CB-CD1 3.91Å; D171-Y355 HydrophobicContact CB-CE1 4.34Å; I180-Y355 HydrophobicContact CB-CE2 4.35Å; I180-Y355 HydrophobicContact CD1-CE2 4.36Å; I180-Y355 WeakPolarHBondContact CD1-OH 3.31Å; I180-Y355 HydrophobicContact CG1-CE2 4.36Å; I180-Y355 VanDerWaalsContact CG1-OH 3.23Å; I180-Y355 WeakPolarHBondContact CG1-OH 3.38Å; V353-Y355 HydrophobicContact CB-CE2 4.11Å; V353-Y355 HydrophobicContact CG1-CD2 4.32Å; V353-Y355 HydrophobicContact CG1-CE1 4.08Å; V353-Y355 HydrophobicContact CG1-CE2 3.7Å; V353-Y355 VanDerWaalsContact O-CD2 3.23Å; V353-Y355 WeakPolarHBondContact O-CD2 3.25Å; V353-Y355 WeakPolarHBondContact O-CE2 3.37Å; V353-Y355 PolarHBondContact O-N 3.07Å; Y355-L357 PolarHBondContact O-N 3.39Å
356E81.9Confident68.3Low55 Ų5558.1 Ų58.126%0.25735%0.346SS..PPolyproline II helixtrans-71.8122.8170.2173.3159.3-165.100111.1K29 P169 K344K29-E356 IonicContact NZ-OE1 3.99Å; K29-E356 PolarHBondContact NZ-OE1 3.06Å; P169-E356 HydrophobicContact CB-CB 4.03Å; P169-E356 HydrophobicContact CB-CG 4.08Å; P169-E356 WeakPolarHBondContact CB-O 3.16Å; P169-E356 HydrophobicContact CG-CG 4.26Å; P169-E356 WeakPolarHBondContact CG-O 3.48Å; K344-E356 IonicContact NZ-OE2 2.68Å; K344-E356 PolarHBondContact NZ-OE2 3.46Å
357L88Confident70.8Confident15 Ų1553.2 Ų53.28%0.07931%0.311CS..PPolyproline II helixtrans-67.8136.5-179.7-64.1173.1000112.4K29 M337 I338 A341 Y355K29-L357 HydrophobicContact CB-CB 3.96Å; K29-L357 HydrophobicContact CD-CB 4.23Å; K29-L357 WeakPolarHBondContact CD-O 3.5Å; K29-L357 HydrophobicContact CG-CB 4.48Å; M337-L357 HydrophobicContact CE-CD2 3.67Å; I338-L357 HydrophobicContact CG1-CD1 4.46Å; A341-L357 HydrophobicContact CB-CD1 4.15Å; A341-L357 HydrophobicContact CB-CG 4.17Å; Y355-L357 PolarHBondContact O-N 3.39Å
358P90.5Very high73.5Confident2 Ų252.7 Ų52.71%0.01329%0.294CS..PPolyproline II helixtrans-71153.317833.6-39.2000111K29 V30 P169 W172 W363K29-P358 CarbonylContact C-O 3.54Å; K29-P358 VanDerWaalsContact CA-O 3.24Å; K29-P358 WeakPolarHBondContact CA-O 3.17Å; V30-P358 HydrophobicContact CG2-CG 4.34Å; V30-P358 PolarHBondContact N-O 2.92Å; P169-P358 HydrophobicContact CG-CB 4.24Å; W172-P358 HydrophobicContact CE3-CB 4.15Å; W172-P358 HydrophobicContact CE3-CG 4.39Å; W172-P358 HydrophobicContact CZ3-CB 3.79Å; W172-P358 HydrophobicContact CZ3-CG 3.83Å; P358-W363 HydrophobicContact CB-CB 4.26Å; P358-W363 HydrophobicContact CG-CB 4.16Å
359T88.5Confident76.2Confident51 Ų5148 Ų4831%0.31327%0.27SS..BIsolated β-bridgetrans-70.4146.9165.868.50000109.8S27 K361 A362 W363S27-T359 WeakPolarHBondContact OG-CB 3.09Å; T359-K361 PolarHBondContact O-N 2.72Å; T359-A362 PolarHBondContact O-N 2.66Å; T359-A362 WeakPolarHBondContact OG1-CB 3.25Å; T359-A362 PolarHBondContact OG1-N 3.48Å; T359-W363 PolarHBondContact O-N 3.19Å
360C86.7Confident79Confident2 Ų244.7 Ų44.71%0.01424%0.235CC..Hα-helixtrans-50.7-44.2179.31800000112.2S27 R28 V30 Y73 W363 F364S27-C360 PolarHBondContact OG-N 2.74Å; R28-C360 PolarHBondContact O-N 3.27Å; V30-C360 HydrophobicContact CG1-CB 3.64Å; V30-C360 HydrophobicContact CG2-CB 4.33Å; Y73-C360 VanDerWaalsContact CE1-SG 3.56Å; Y73-C360 VanDerWaalsContact CZ-SG 3.58Å; C360-W363 PolarHBondContact O-N 3.32Å; C360-F364 VanDerWaalsContact O-CD2 3.23Å; C360-F364 WeakPolarHBondContact O-CD2 3.38Å; C360-F364 PolarHBondContact O-N 3.01Å; C360-F364 WeakPolarHBondContact SG-CE2 3.28Å
361K86.5Confident81.4Confident40 Ų4036.2 Ų36.217%0.17420%0.195CC..Hα-helixtrans-63.7-43.4177-174.7172.7-177.91660112.8F20 L23 S27 T359 W363 F364 M365F20-K361 WeakPolarHBondContact O-CE 3.37Å; L23-K361 HydrophobicContact CB-CB 4.47Å; L23-K361 HydrophobicContact CB-CG 4.42Å; L23-K361 HydrophobicContact CD1-CB 4.41Å; L23-K361 HydrophobicContact CD1-CG 4.42Å; S27-K361 PolarHBondContact OG-N 2.9Å; T359-K361 PolarHBondContact O-N 2.72Å; K361-W363 VanDerWaalsContact C-N 3.35Å; K361-F364 PolarHBondContact O-N 3.22Å; K361-M365 HydrophobicContact CG-CE 4.4Å; K361-M365 WeakPolarHBondContact O-CG 3.36Å; K361-M365 PolarHBondContact O-N 3.04Å; K361-M365 VanDerWaalsContact O-N 3.13Å
362A89.2Confident83.6Confident0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-64-41.8177.700000111.7P167 L168 T359 M365 A366P167-A362 HydrophobicContact CG-CB 4.09Å; P167-A362 WeakPolarHBondContact O-CB 3.23Å; L168-A362 HydrophobicContact CD2-CB 4.04Å; T359-A362 PolarHBondContact O-N 2.66Å; T359-A362 WeakPolarHBondContact OG1-CB 3.25Å; T359-A362 PolarHBondContact OG1-N 3.48Å; A362-M365 PolarHBondContact O-N 3.22Å; A362-A366 WeakPolarHBondContact O-CB 3.24Å; A362-A366 PolarHBondContact O-N 2.82Å
363W92.5Very high85.5Confident0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-61.5-47.3177-17590.2000111.6F12 V30 V32 I80 L82 V124 W172 P358 T359 C360 K361 M365 A366 C367F12-W363 HydrophobicContact CE2-CZ3 4.37Å; F12-W363 HydrophobicContact CZ-CH2 4.41Å; F12-W363 HydrophobicContact CZ-CZ3 4.16Å; V30-W363 HydrophobicContact CG2-CB 4.2Å; V32-W363 HydrophobicContact CG1-CZ2 3.84Å; V32-W363 HydrophobicContact CG2-CD2 4.23Å; V32-W363 HydrophobicContact CG2-CG 4.22Å; V32-W363 HydrophobicContact CG2-CZ2 4.23Å; I80-W363 HydrophobicContact CD1-CD2 3.83Å; I80-W363 HydrophobicContact CD1-CE3 3.42Å; I80-W363 VanDerWaalsContact CD1-CE3 3.42Å; I80-W363 HydrophobicContact CD1-CG 4.39Å; I80-W363 HydrophobicContact CD1-CZ3 3.86Å; I80-W363 HydrophobicContact CG2-CH2 3.91Å; I80-W363 HydrophobicContact CG2-CZ2 4.39Å; I80-W363 HydrophobicContact CG2-CZ3 3.99Å; L82-W363 HydrophobicContact CD1-CH2 4.18Å; L82-W363 HydrophobicContact CD1-CZ2 3.96Å; L82-W363 HydrophobicContact CD2-CH2 4.03Å; L82-W363 HydrophobicContact CG-CH2 4.45Å; V124-W363 HydrophobicContact CB-CZ2 4.28Å; V124-W363 HydrophobicContact CG2-CZ2 4.19Å; V124-W363 PolarHBondContact O-NE1 3.23Å; W172-W363 AromaticContact CH2-CD1 3.59Å; W172-W363 HydrophobicContact CH2-CG 4.48Å; W172-W363 AromaticContact CZ3-CD1 3.84Å; P358-W363 HydrophobicContact CB-CB 4.26Å; P358-W363 HydrophobicContact CG-CB 4.16Å; T359-W363 PolarHBondContact O-N 3.19Å; C360-W363 PolarHBondContact O-N 3.32Å; K361-W363 VanDerWaalsContact C-N 3.35Å; W363-M365 VanDerWaalsContact C-N 3.35Å; W363-M365 PolarHBondContact O-N 3.04Å; W363-A366 PolarHBondContact O-N 3.13Å; W363-C367 HydrophobicContact CD2-CB 4.39Å; W363-C367 HydrophobicContact CE3-CB 4.14Å; W363-C367 HydrophobicContact CH2-CB 3.92Å; W363-C367 HydrophobicContact CZ2-CB 4.2Å; W363-C367 HydrophobicContact CZ3-CB 3.9Å; W363-C367 WeakPolarHBondContact O-CB 3.36Å; W363-C367 PolarHBondContact O-N 3.28Å
364F90.3Very high87Confident0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-61.3-40.7178-84-60.5000113F12 P16 F18 F20 L23 Y73 I80 C360 K361 Y368F12-F364 HydrophobicContact CD1-CE1 4.11Å; F12-F364 HydrophobicContact CD1-CZ 4.15Å; F12-F364 AromaticContact CD2-CE1 3.96Å; F12-F364 HydrophobicContact CD2-CE1 3.96Å; F12-F364 AromaticContact CE1-CE1 3.79Å; F12-F364 HydrophobicContact CE1-CE1 3.79Å; F12-F364 AromaticContact CE1-CZ 3.8Å; F12-F364 HydrophobicContact CE1-CZ 3.8Å; F12-F364 AromaticContact CE2-CE1 3.64Å; F12-F364 HydrophobicContact CE2-CE1 3.64Å; F12-F364 HydrophobicContact CE2-CZ 4.47Å; F12-F364 HydrophobicContact CG-CE1 4.2Å; F12-F364 AromaticContact CZ-CE1 3.55Å; F12-F364 HydrophobicContact CZ-CE1 3.55Å; F12-F364 AromaticContact CZ-CZ 3.98Å; F12-F364 HydrophobicContact CZ-CZ 3.98Å; P16-F364 HydrophobicContact CB-CD1 4.19Å; P16-F364 HydrophobicContact CG-CD1 3.65Å; P16-F364 HydrophobicContact CG-CE1 4.19Å; F18-F364 HydrophobicContact CE1-CD1 4.45Å; F18-F364 HydrophobicContact CE1-CE1 4.11Å; F18-F364 HydrophobicContact CE1-CZ 4.45Å; F18-F364 HydrophobicContact CE2-CG 4.48Å; F18-F364 AromaticContact CZ-CD1 3.7Å; F18-F364 HydrophobicContact CZ-CD1 3.7Å; F18-F364 HydrophobicContact CZ-CD2 4.17Å; F18-F364 AromaticContact CZ-CE1 3.6Å; F18-F364 HydrophobicContact CZ-CE1 3.6Å; F18-F364 HydrophobicContact CZ-CE2 4.07Å; F18-F364 AromaticContact CZ-CG 3.99Å; F18-F364 HydrophobicContact CZ-CG 3.99Å; F18-F364 AromaticContact CZ-CZ 3.81Å; F18-F364 HydrophobicContact CZ-CZ 3.81Å; F20-F364 HydrophobicContact CD1-CB 4.11Å; F20-F364 HydrophobicContact CE1-CB 4.02Å; L23-F364 HydrophobicContact CD1-CB 4.16Å; L23-F364 HydrophobicContact CD1-CD2 3.62Å; L23-F364 HydrophobicContact CD1-CE2 4.39Å; L23-F364 HydrophobicContact CD1-CG 4.19Å; L23-F364 HydrophobicContact CD2-CD2 4.44Å; L23-F364 HydrophobicContact CD2-CE2 4.45Å; Y73-F364 HydrophobicContact CD1-CE2 4.45Å; I80-F364 HydrophobicContact CD1-CE2 4.38Å; I80-F364 HydrophobicContact CD1-CZ 4.38Å; C360-F364 VanDerWaalsContact O-CD2 3.23Å; C360-F364 WeakPolarHBondContact O-CD2 3.38Å; C360-F364 PolarHBondContact O-N 3.01Å; C360-F364 WeakPolarHBondContact SG-CE2 3.28Å; K361-F364 PolarHBondContact O-N 3.22Å; F364-Y368 WeakPolarHBondContact O-CB 3.49Å; F364-Y368 PolarHBondContact O-N 3.09Å
365M89.3Confident88Confident40 Ų4026 Ų2620%0.19712%0.121CC..Hα-helixtrans-64.3-42.2175.6-70.6-167.9-61.500112.2F20 L166 P167 K361 A362 W363 R369F20-M365 HydrophobicContact CB-CG 4.4Å; F20-M365 HydrophobicContact CD2-CG 3.91Å; F20-M365 HydrophobicContact CE2-CG 4.44Å; F20-M365 HydrophobicContact CG-CG 4.1Å; L166-M365 HydrophobicContact CD2-CB 4.06Å; P167-M365 VanDerWaalsContact CD-CE 3.49Å; P167-M365 HydrophobicContact CG-CE 3.45Å; P167-M365 VanDerWaalsContact CG-CE 3.45Å; K361-M365 HydrophobicContact CG-CE 4.4Å; K361-M365 WeakPolarHBondContact O-CG 3.36Å; K361-M365 PolarHBondContact O-N 3.04Å; K361-M365 VanDerWaalsContact O-N 3.13Å; A362-M365 PolarHBondContact O-N 3.22Å; W363-M365 VanDerWaalsContact C-N 3.35Å; W363-M365 PolarHBondContact O-N 3.04Å; M365-R369 WeakPolarHBondContact O-CG 3.34Å; M365-R369 PolarHBondContact O-N 3.43Å
366A90.9Very high87.8Confident0 Ų027.4 Ų27.40%014%0.136CC..Hα-helixtrans-66.3-48.2176.600000111.8L166 L168 W172 A362 W363 Y368 R369 I370L166-A366 HydrophobicContact CD1-CB 3.82Å; L168-A366 HydrophobicContact CD1-CB 3.94Å; L168-A366 HydrophobicContact CD2-CB 3.89Å; L168-A366 HydrophobicContact CG-CB 4.44Å; W172-A366 HydrophobicContact CH2-CB 4.17Å; W172-A366 HydrophobicContact CZ2-CB 4.11Å; A362-A366 WeakPolarHBondContact O-CB 3.24Å; A362-A366 PolarHBondContact O-N 2.82Å; W363-A366 PolarHBondContact O-N 3.13Å; A366-Y368 VanDerWaalsContact C-N 3.32Å; A366-Y368 PolarHBondContact O-N 2.97Å; A366-R369 PolarHBondContact O-N 3.37Å; A366-I370 HydrophobicContact CB-CD1 4.39Å; A366-I370 WeakPolarHBondContact O-CB 3.17Å; A366-I370 VanDerWaalsContact O-CG1 3.23Å; A366-I370 WeakPolarHBondContact O-CG1 3.46Å; A366-I370 PolarHBondContact O-N 2.93Å
367C91.6Very high86.4Confident0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-51.2-51.3174.7176.60000110.9W363 Y371W363-C367 HydrophobicContact CD2-CB 4.39Å; W363-C367 HydrophobicContact CE3-CB 4.14Å; W363-C367 HydrophobicContact CH2-CB 3.92Å; W363-C367 HydrophobicContact CZ2-CB 4.2Å; W363-C367 HydrophobicContact CZ3-CB 3.9Å; W363-C367 WeakPolarHBondContact O-CB 3.36Å; W363-C367 PolarHBondContact O-N 3.28Å; C367-Y371 WeakPolarHBondContact O-CB 3.29Å; C367-Y371 PolarHBondContact O-N 2.98Å
368Y90.5Very high84.3Confident97 Ų9738 Ų3838%0.3819%0.19SC..Hα-helixtrans-61.1-50.3178.9-178-89000112.4P15 P16 F20 F364 A366 T372P15-Y368 HydrophobicContact CB-CD2 3.93Å; P15-Y368 HydrophobicContact CB-CE2 4.36Å; P16-Y368 VanDerWaalsContact O-CD2 3.29Å; P16-Y368 WeakPolarHBondContact O-CD2 3.12Å; F20-Y368 HydrophobicContact CE2-CD1 4.29Å; F20-Y368 HydrophobicContact CE2-CD2 4.44Å; F20-Y368 HydrophobicContact CE2-CG 4.01Å; F20-Y368 HydrophobicContact CZ-CD1 4.42Å; F20-Y368 AromaticContact CZ-CD2 3.87Å; F20-Y368 HydrophobicContact CZ-CD2 3.87Å; F20-Y368 AromaticContact CZ-CG 3.69Å; F20-Y368 HydrophobicContact CZ-CG 3.69Å; F364-Y368 WeakPolarHBondContact O-CB 3.49Å; F364-Y368 PolarHBondContact O-N 3.09Å; A366-Y368 VanDerWaalsContact C-N 3.32Å; A366-Y368 PolarHBondContact O-N 2.97Å; Y368-T372 HydrophobicContact CD1-CG2 4.45Å; Y368-T372 HydrophobicContact CD2-CG2 4.43Å; Y368-T372 HydrophobicContact CE1-CG2 4.2Å; Y368-T372 HydrophobicContact CE2-CG2 4.19Å; Y368-T372 WeakPolarHBondContact O-CB 3.32Å; Y368-T372 VanDerWaalsContact O-CG2 3.3Å; Y368-T372 WeakPolarHBondContact O-CG2 3.42Å; Y368-T372 PolarHBondContact O-N 3.27Å; Y368-T372 PolarHBondContact O-OG1 2.84Å
369R89.8Confident81.7Confident112 Ų11245.7 Ų45.742%0.42323%0.225SC..Hα-helixtrans-65-45.9-177.5-74.8-165.5-179.8-146.5-1112.6M365 A366 T372 S373M365-R369 WeakPolarHBondContact O-CG 3.34Å; M365-R369 PolarHBondContact O-N 3.43Å; A366-R369 PolarHBondContact O-N 3.37Å; R369-T372 PolarHBondContact O-OG1 3.47Å; R369-S373 VanDerWaalsContact O-CB 3.27Å; R369-S373 WeakPolarHBondContact O-CB 3.34Å; R369-S373 PolarHBondContact O-N 3.43Å; R369-S373 PolarHBondContact O-OG 2.72Å
370I91.8Very high79.1Confident1 Ų149.9 Ų49.91%0.00525%0.245CC..Hα-helixtrans-67.5-47.1-178.9-61.3168.2000109.8F120 V123 V124 T163 A366 S373 L374F120-I370 HydrophobicContact CD2-CB 4.43Å; F120-I370 HydrophobicContact CD2-CG2 3.91Å; F120-I370 HydrophobicContact CE2-CB 4.35Å; F120-I370 HydrophobicContact CE2-CG2 4.31Å; V123-I370 HydrophobicContact CG1-CD1 4.02Å; V124-I370 HydrophobicContact CG1-CD1 4.41Å; T163-I370 HydrophobicContact CG2-CD1 3.78Å; T163-I370 HydrophobicContact CG2-CG1 3.95Å; A366-I370 HydrophobicContact CB-CD1 4.39Å; A366-I370 WeakPolarHBondContact O-CB 3.17Å; A366-I370 VanDerWaalsContact O-CG1 3.23Å; A366-I370 WeakPolarHBondContact O-CG1 3.46Å; A366-I370 PolarHBondContact O-N 2.93Å; I370-S373 PolarHBondContact O-OG 3Å; I370-L374 WeakPolarHBondContact O-CB 3.27Å; I370-L374 PolarHBondContact O-N 2.89Å
371Y90.5Very high76.2Confident15 Ų1554.8 Ų54.86%0.05928%0.275CS..Hα-helixtrans-61.7-51.4-178.8-172.3-80.3000111.5V14 P15 I69 F120 C367 S373 L374 I375V14-Y371 HydrophobicContact CB-CD2 4.44Å; V14-Y371 HydrophobicContact CB-CE2 4.31Å; V14-Y371 HydrophobicContact CG1-CD1 4.49Å; V14-Y371 HydrophobicContact CG1-CD2 3.34Å; V14-Y371 HydrophobicContact CG1-CE2 3.65Å; V14-Y371 HydrophobicContact CG1-CG 3.79Å; P15-Y371 HydrophobicContact CB-CD1 3.75Å; P15-Y371 HydrophobicContact CB-CE1 4.44Å; P15-Y371 HydrophobicContact CB-CG 4.22Å; P15-Y371 HydrophobicContact CG-CD1 3.76Å; P15-Y371 HydrophobicContact CG-CE1 4.07Å; I69-Y371 HydrophobicContact CD1-CE2 4.21Å; F120-Y371 AromaticContact CD1-CD2 3.95Å; F120-Y371 HydrophobicContact CD1-CD2 3.95Å; F120-Y371 HydrophobicContact CD2-CD2 4.2Å; F120-Y371 AromaticContact CE1-CD2 3.83Å; F120-Y371 HydrophobicContact CE1-CD2 3.83Å; F120-Y371 HydrophobicContact CE2-CD2 4.08Å; F120-Y371 HydrophobicContact CE2-CG 4.39Å; F120-Y371 HydrophobicContact CG-CD2 4.14Å; F120-Y371 AromaticContact CZ-CD2 3.89Å; F120-Y371 HydrophobicContact CZ-CD2 3.89Å; F120-Y371 HydrophobicContact CZ-CG 4.46Å; C367-Y371 WeakPolarHBondContact O-CB 3.29Å; C367-Y371 PolarHBondContact O-N 2.98Å; Y371-S373 PolarHBondContact O-N 3.03Å; Y371-L374 PolarHBondContact O-N 3.31Å; Y371-I375 HydrophobicContact CD1-CB 4.45Å; Y371-I375 HydrophobicContact CD1-CD1 3.94Å; Y371-I375 HydrophobicContact CD2-CD1 3.47Å; Y371-I375 VanDerWaalsContact CD2-CD1 3.47Å; Y371-I375 HydrophobicContact CE1-CB 4.18Å; Y371-I375 HydrophobicContact CE1-CD1 3.6Å; Y371-I375 HydrophobicContact CE1-CG1 4.49Å; Y371-I375 HydrophobicContact CE1-CG2 4.18Å; Y371-I375 HydrophobicContact CE2-CD1 3.16Å; Y371-I375 HydrophobicContact CG-CD1 3.87Å; Y371-I375 WeakPolarHBondContact O-CB 3.45Å; Y371-I375 PolarHBondContact O-N 2.77Å
372T88.4Confident73.3Confident43 Ų4362 Ų6226%0.26431%0.306SS..Hα-helixtrans-61.9-46.4-178.751.90000111.1P15 Y368 R369 L374 S376P15-T372 HydrophobicContact CB-CG2 3.95Å; P15-T372 HydrophobicContact CG-CG2 3.91Å; Y368-T372 HydrophobicContact CD1-CG2 4.45Å; Y368-T372 HydrophobicContact CD2-CG2 4.43Å; Y368-T372 HydrophobicContact CE1-CG2 4.2Å; Y368-T372 HydrophobicContact CE2-CG2 4.19Å; Y368-T372 WeakPolarHBondContact O-CB 3.32Å; Y368-T372 VanDerWaalsContact O-CG2 3.3Å; Y368-T372 WeakPolarHBondContact O-CG2 3.42Å; Y368-T372 PolarHBondContact O-N 3.27Å; Y368-T372 PolarHBondContact O-OG1 2.84Å; R369-T372 PolarHBondContact O-OG1 3.47Å; T372-L374 VanDerWaalsContact C-N 3.34Å; T372-L374 PolarHBondContact O-N 3.35Å; T372-S376 WeakPolarHBondContact O-CB 3.36Å; T372-S376 PolarHBondContact O-N 3.03Å; T372-S376 VanDerWaalsContact O-N 3.08Å; T372-S376 PolarHBondContact O-OG 2.89Å
373S89.1Confident70.3Confident15 Ų1568.6 Ų68.611%0.10535%0.346CS..Hα-helixtrans-67.9-28.9179.959.70000114.5R369 I370 Y371 L408 S409R369-S373 VanDerWaalsContact O-CB 3.27Å; R369-S373 WeakPolarHBondContact O-CB 3.34Å; R369-S373 PolarHBondContact O-N 3.43Å; R369-S373 PolarHBondContact O-OG 2.72Å; I370-S373 PolarHBondContact O-OG 3Å; Y371-S373 PolarHBondContact O-N 3.03Å; S373-L408 WeakPolarHBondContact OG-CD2 3.07Å; S373-S409 WeakPolarHBondContact O-CB 2.99Å; S373-S409 PolarHBondContact O-N 3.05Å
374L87.9Confident67.2Low1 Ų174 Ų741%0.00538%0.381CS..Hα-helixtrans-83.4-39-179.5-17270.8000112.9K116 Y119 F120 I370 Y371 T372 L408 S409 W412K116-L374 HydrophobicContact CB-CD2 4.12Å; K116-L374 HydrophobicContact CB-CG 4.19Å; K116-L374 WeakPolarHBondContact CD-O 3.44Å; K116-L374 HydrophobicContact CG-CG 4.26Å; K116-L374 PolarHBondContact NZ-O 3.47Å; K116-L374 VanDerWaalsContact NZ-O 3.11Å; K116-L374 WeakPolarHBondContact O-CD2 3.44Å; Y119-L374 HydrophobicContact CD1-CD1 4.49Å; Y119-L374 HydrophobicContact CD1-CD2 3.91Å; F120-L374 HydrophobicContact CB-CD2 4.01Å; I370-L374 WeakPolarHBondContact O-CB 3.27Å; I370-L374 PolarHBondContact O-N 2.89Å; Y371-L374 PolarHBondContact O-N 3.31Å; T372-L374 VanDerWaalsContact C-N 3.34Å; T372-L374 PolarHBondContact O-N 3.35Å; L374-L408 HydrophobicContact CB-CD2 4.23Å; L374-L408 HydrophobicContact CD1-CD2 4.42Å; L374-L408 HydrophobicContact CD1-CG 4.23Å; L374-S409 WeakPolarHBondContact O-CB 3.34Å; L374-S409 PolarHBondContact O-OG 2.81Å; L374-W412 HydrophobicContact CD1-CB 3.84Å; L374-W412 HydrophobicContact CD1-CG 3.89Å
375I82.7Confident64Low24 Ų2479.5 Ų79.512%0.12342%0.415CS..Hα-helixtrans-97.3-11.7-171.7-67.7164.3000113T113 K116 V117 Y371 D377T113-I375 HydrophobicContact CG2-CG2 4.24Å; K116-I375 HydrophobicContact CB-CG1 4.36Å; V117-I375 HydrophobicContact CG2-CD1 3.68Å; Y371-I375 HydrophobicContact CD1-CB 4.45Å; Y371-I375 HydrophobicContact CD1-CD1 3.94Å; Y371-I375 HydrophobicContact CD2-CD1 3.47Å; Y371-I375 VanDerWaalsContact CD2-CD1 3.47Å; Y371-I375 HydrophobicContact CE1-CB 4.18Å; Y371-I375 HydrophobicContact CE1-CD1 3.6Å; Y371-I375 HydrophobicContact CE1-CG1 4.49Å; Y371-I375 HydrophobicContact CE1-CG2 4.18Å; Y371-I375 HydrophobicContact CE2-CD1 3.16Å; Y371-I375 HydrophobicContact CG-CD1 3.87Å; Y371-I375 WeakPolarHBondContact O-CB 3.45Å; Y371-I375 PolarHBondContact O-N 2.77Å; I375-D377 PolarHBondContact O-N 3.43Å
376S67.3Low61Low63 Ų6383.6 Ų83.644%0.44144%0.444SS..  trans-40.9123.3176.4-78.30000113.9T372 E378T372-S376 WeakPolarHBondContact O-CB 3.36Å; T372-S376 PolarHBondContact O-N 3.03Å; T372-S376 VanDerWaalsContact O-N 3.08Å; T372-S376 PolarHBondContact O-OG 2.89Å; S376-E378 VanDerWaalsContact C-N 3.28Å; S376-E378 PolarHBondContact O-N 3.28Å
377D52.2Low57.9Low150 Ų15091.4 Ų91.480%0.80248%0.481SS*.  trans-72.574171.9-82.2-34.8000110.2I375 H379I375-D377 PolarHBondContact O-N 3.43Å; D377-H379 PolarHBondContact O-N 2.86Å
378E43.3Very low54.6Low142 Ų142100.1 Ų100.166%0.66452%0.524SS*.  trans-81.8107.8160.8-77.9-162.4157.900108.6S376 L380S376-E378 VanDerWaalsContact C-N 3.28Å; S376-E378 PolarHBondContact O-N 3.28Å; E378-L380 PolarHBondContact O-N 3.05Å
379H37Very low51.7Low164 Ų164101.2 Ų101.276%0.75954%0.541SS*.  trans-43.3111.8167.1-83.7-89.4000109.8D377 T381D377-H379 PolarHBondContact O-N 2.86Å; H379-T381 HydrophobicContact CB-CG2 4.18Å; H379-T381 PolarHBondContact O-N 3.39Å
380L32.9Very low48.6Very low138 Ų138102.4 Ų102.472%0.72356%0.561SS**  trans-67.659171.8-127.786.8000110E378E378-L380 PolarHBondContact O-N 3.05Å
381T26.8Very low45.7Very low106 Ų106107.6 Ų107.665%0.6560%0.597SS**  trans-95.1112177.749.80000109.5H379H379-T381 HydrophobicContact CB-CG2 4.18Å; H379-T381 PolarHBondContact O-N 3.39Å
382K25.9Very low42.7Very low192 Ų192115 Ų11584%0.83563%0.632SS**  trans76.297.2162.8-55.9179179.3-179.10115.2P384K382-P384 WeakPolarHBondContact O-CD 3Å
383V25.7Very low39.8Very low138 Ų138119.5 Ų119.584%0.83666%0.655SS**  trans-51.3121151.6177.20000107.3T385V383-T385 PolarHBondContact O-N 3.46Å; V383-T385 VanDerWaalsContact O-N 3.09Å
384P27.7Very low36.9Very low113 Ų113126.7 Ų126.773%0.73469%0.692SS**  trans-69.2109.9-180-12.627000108.7K382K382-P384 WeakPolarHBondContact O-CD 3Å
385T22.4Very low33.9Very low116 Ų116131.8 Ų131.871%0.71273%0.728SS**  trans-61.4124.3161.322.90000107.9V383 E387V383-T385 PolarHBondContact O-N 3.46Å; V383-T385 VanDerWaalsContact O-N 3.09Å; T385-E387 PolarHBondContact O-N 3.3Å
386P26.8Very low31.2Very low125 Ų125136.1 Ų136.181%0.81276%0.76SS**  trans-73.696.5-177.728.6-31.2000108.9M388P386-M388 PolarHBondContact O-N 2.87Å
387E24.9Very low29.2Very low165 Ų165138.7 Ų138.777%0.77178%0.778SS**  trans-75.2107.3170.5-75.4-177.2168.900109.1T385 T389T385-E387 PolarHBondContact O-N 3.3Å; E387-T389 PolarHBondContact O-N 2.97Å
388M23.3Very low27.8Very low182 Ų182142.9 Ų142.990%0.89778%0.783SS**  trans-59.599.2165.1-82.2174.774.500108.9P386P386-M388 PolarHBondContact O-N 2.87Å
389T28.8Very low26.9Very low121 Ų121144.1 Ų144.174%0.74279%0.792SS**  trans-115.199.1162.448.10000108.9E387 S391E387-T389 PolarHBondContact O-N 2.97Å; T389-S391 PolarHBondContact O-N 2.71Å
390T26.1Very low26.4Very low137 Ų137139.6 Ų139.684%0.8479%0.79SS**  trans-68.7103.6164.136.30000109
391S30.3Very low26.2Very low110 Ų110139.1 Ų139.177%0.76980%0.798SS**  trans-146.8128155.458.90000111.5T389T389-S391 PolarHBondContact O-N 2.71Å
392Q27Very low26.3Very low171 Ų171137.7 Ų137.780%0.79980%0.804SS**  trans-59.9159.9-172.4-67168.1-14.700115.1
393N27Very low26.8Very low136 Ų136131.5 Ų131.573%0.72780%0.795SS**  trans73.698.6151.6-58.3-17.9000117
394D30.2Very low27.7Very low166 Ų166129.5 Ų129.589%0.88879%0.793SS**  -160.6132114.1-93.4-26.4000111.7
395S24.3Very low29.1Very low109 Ų109129.6 Ų129.676%0.76279%0.792SS**  trans-98112.7-17840.60000110.3
396S25Very low31.3Very low114 Ų114126 Ų12680%0.79777%0.773SS**  trans172.914214640.20000113
397S26.6Very low34Very low118 Ų118121.6 Ų121.683%0.82575%0.745SS**  trans65.690.9175.568.10000116.5
398R21.4Very low37Very low237 Ų237113.8 Ų113.889%0.89471%0.709SS**  45113.480.4-91.8-171.6-159.7-1403.6116.3
399I25Very low40Very low169 Ų169105.7 Ų105.787%0.86767%0.671SS**  trans94.6111.7150.9-54.7160.8000115.8
400G26.9Very low42.7Very low69 Ų69103 Ų10371%0.71165%0.649SS**  trans99.179.1159.600000113.4G402G400-G402 VanDerWaalsContact C-N 3.33Å; G400-G402 PolarHBondContact O-N 2.69Å
401S28.4Very low45.7Very low127 Ų12797.7 Ų97.789%0.88862%0.618SS**  trans-50.5101.9159.8-27.50000107.7G403S401-G403 PolarHBondContact O-N 3.31Å
402G29.8Very low48.4Very low76 Ų7692.5 Ų92.578%0.78458%0.582SS**  trans-65.881.1172.600000108.3G400 A404G400-G402 VanDerWaalsContact C-N 3.33Å; G400-G402 PolarHBondContact O-N 2.69Å; G402-A404 PolarHBondContact O-N 3.4Å
403G35.3Very low51.1Low62 Ų6286.1 Ų86.164%0.63955%0.552SS**  trans-60.5110.2165.600000106.1S401 V405S401-G403 PolarHBondContact O-N 3.31Å; G403-V405 PolarHBondContact O-N 3.49Å
404A45.4Very low53.9Low97 Ų9783.4 Ų83.480%0.80254%0.537SS*.  trans-48.6115.6176.100000108.1G402 A406G402-A404 PolarHBondContact O-N 3.4Å; A404-A406 PolarHBondContact O-N 3.27Å
405V55.6Low56.5Low115 Ų11576.1 Ų76.170%0.69750%0.5SS*.  trans-62.1110.7177.1-178.90000105.8G403 S407G403-V405 PolarHBondContact O-N 3.49Å; V405-S407 PolarHBondContact O-N 3.37Å
406A68.6Low59.2Low39 Ų3971.2 Ų71.232%0.32247%0.465SS..  trans-56.4135.4178.300000109A404 Q410A404-A406 PolarHBondContact O-N 3.27Å; A406-Q410 HydrophobicContact CB-CB 4.3Å; A406-Q410 HydrophobicContact CB-CG 4.29Å
407S84.3Confident61.6Low33 Ų3369 Ų6923%0.23144%0.444CS..  trans-56.8156.8174.868.20000110.7V405 S409 Q410 S411V405-S407 PolarHBondContact O-N 3.37Å; S407-S409 PolarHBondContact O-N 2.89Å; S407-Q410 PolarHBondContact O-N 2.83Å; S407-Q410 VanDerWaalsContact O-N 3.1Å; S407-Q410 WeakPolarHBondContact OG-CB 3.3Å; S407-Q410 PolarHBondContact OG-N 3.1Å; S407-Q410 VanDerWaalsContact OG-N 3.13Å; S407-S411 WeakPolarHBondContact O-CB 3.45Å; S407-S411 PolarHBondContact O-N 3.08Å; S407-S411 PolarHBondContact O-OG 3.01Å; S407-S411 VanDerWaalsContact O-OG 3.1Å
408L86.8Confident63.8Low1 Ų166.2 Ų66.21%0.00542%0.424CS..Hα-helixtrans-57.8-41.6176.9-170.865000111.4M155 P158 I159 Y162 S373 L374 S411 W412M155-L408 HydrophobicContact CE-CD1 3.56Å; M155-L408 HydrophobicContact CE-CG 4.13Å; P158-L408 HydrophobicContact CB-CD1 3.65Å; I159-L408 HydrophobicContact CG1-CD1 4.09Å; I159-L408 HydrophobicContact CG1-CD2 4.48Å; Y162-L408 HydrophobicContact CD2-CB 4.08Å; Y162-L408 HydrophobicContact CD2-CD1 4.06Å; Y162-L408 HydrophobicContact CD2-CD2 4.38Å; Y162-L408 HydrophobicContact CD2-CG 4.41Å; Y162-L408 HydrophobicContact CE2-CB 3.62Å; Y162-L408 HydrophobicContact CE2-CD1 4.15Å; Y162-L408 HydrophobicContact CE2-CG 4.37Å; Y162-L408 PolarHBondContact OH-N 3.13Å; Y162-L408 VanDerWaalsContact OH-N 3.15Å; S373-L408 WeakPolarHBondContact OG-CD2 3.07Å; L374-L408 HydrophobicContact CB-CD2 4.23Å; L374-L408 HydrophobicContact CD1-CD2 4.42Å; L374-L408 HydrophobicContact CD1-CG 4.23Å; L408-S411 PolarHBondContact O-N 3.48Å; L408-W412 WeakPolarHBondContact O-CB 3.31Å; L408-W412 PolarHBondContact O-N 3.32Å
409S87.4Confident66.1Low13 Ų1356.6 Ų56.69%0.09139%0.39CS..Hα-helixtrans-55.3-47.6171.9-1790000112.5K116 S373 L374 S407 W412 H413K116-S409 PolarHBondContact NZ-OG 3.07Å; S373-S409 WeakPolarHBondContact O-CB 2.99Å; S373-S409 PolarHBondContact O-N 3.05Å; L374-S409 WeakPolarHBondContact O-CB 3.34Å; L374-S409 PolarHBondContact O-OG 2.81Å; S407-S409 PolarHBondContact O-N 2.89Å; S409-W412 WeakPolarHBondContact O-CB 3.43Å; S409-W412 PolarHBondContact O-N 3.16Å; S409-H413 PolarHBondContact O-N 2.97Å
410Q85.8Confident68Low63 Ų6349.7 Ų49.729%0.29436%0.355SS..Hα-helixtrans-67.6-39.4178.6-172.662.644.600111.8A406 S407 W412 H413 N414A406-Q410 HydrophobicContact CB-CB 4.3Å; A406-Q410 HydrophobicContact CB-CG 4.29Å; S407-Q410 PolarHBondContact O-N 2.83Å; S407-Q410 VanDerWaalsContact O-N 3.1Å; S407-Q410 WeakPolarHBondContact OG-CB 3.3Å; S407-Q410 PolarHBondContact OG-N 3.1Å; S407-Q410 VanDerWaalsContact OG-N 3.13Å; Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; Q410-H413 PolarHBondContact O-N 3.27Å; Q410-N414 PolarHBondContact NE2-OD1 3.46Å; Q410-N414 WeakPolarHBondContact O-CB 3.46Å; Q410-N414 PolarHBondContact O-N 2.81Å; Q410-N414 PolarHBondContact O-OD1 3.16Å
411S87.9Confident69.5Low27 Ų2748.9 Ų48.919%0.18934%0.338CS..Hα-helixtrans-63.2-39.5176.5-64.30000111.2S407 L408 N414 A415S407-S411 WeakPolarHBondContact O-CB 3.45Å; S407-S411 PolarHBondContact O-N 3.08Å; S407-S411 PolarHBondContact O-OG 3.01Å; S407-S411 VanDerWaalsContact O-OG 3.1Å; L408-S411 PolarHBondContact O-N 3.48Å; S411-N414 PolarHBondContact O-N 2.93Å; S411-A415 WeakPolarHBondContact O-CB 3.15Å; S411-A415 PolarHBondContact O-N 2.94Å
412W88.5Confident70.5Confident0 Ų045.9 Ų45.90%032%0.315CS..Hα-helixtrans-63.2-45.6172.3-171.297.3000111.7Y112 L115 K116 Y119 M151 M155 L374 L408 S409 Q410 N414 A415 L416Y112-W412 HydrophobicContact CD1-CH2 4.27Å; Y112-W412 AromaticContact CD1-CZ3 3.96Å; Y112-W412 HydrophobicContact CD1-CZ3 3.96Å; Y112-W412 HydrophobicContact CG-CZ3 4.48Å; L115-W412 HydrophobicContact CB-CH2 4.06Å; L115-W412 HydrophobicContact CB-CZ2 4.07Å; L115-W412 HydrophobicContact CD2-CH2 3.84Å; L115-W412 HydrophobicContact CD2-CZ2 3.83Å; L115-W412 HydrophobicContact CG-CH2 4.14Å; L115-W412 HydrophobicContact CG-CZ2 3.83Å; K116-W412 HydrophobicContact CD-CE3 4.32Å; K116-W412 HydrophobicContact CD-CZ3 4.49Å; K116-W412 HydrophobicContact CG-CD2 3.75Å; K116-W412 HydrophobicContact CG-CE3 3.83Å; K116-W412 HydrophobicContact CG-CG 4.38Å; K116-W412 HydrophobicContact CG-CH2 3.94Å; K116-W412 HydrophobicContact CG-CZ2 3.87Å; K116-W412 HydrophobicContact CG-CZ3 3.94Å; Y119-W412 AromaticContact CD1-CD1 3.9Å; Y119-W412 AromaticContact CD1-NE1 3.81Å; Y119-W412 AromaticContact CG-NE1 3.89Å; M151-W412 HydrophobicContact CE-CD2 3.71Å; M151-W412 HydrophobicContact CE-CE3 4.43Å; M151-W412 HydrophobicContact CE-CG 3.81Å; M151-W412 HydrophobicContact CE-CZ2 4.1Å; M151-W412 VanDerWaalsContact CE-O 3.31Å; M151-W412 WeakPolarHBondContact CE-O 3.42Å; M155-W412 HydrophobicContact CE-CB 3.7Å; M155-W412 HydrophobicContact CE-CG 4.36Å; M155-W412 WeakPolarHBondContact SD-CA 3.28Å; M155-W412 HydrophobicContact SD-CB 3.98Å; M155-W412 HydrophobicContact SD-CG 4.49Å; L374-W412 HydrophobicContact CD1-CB 3.84Å; L374-W412 HydrophobicContact CD1-CG 3.89Å; L408-W412 WeakPolarHBondContact O-CB 3.31Å; L408-W412 PolarHBondContact O-N 3.32Å; S409-W412 WeakPolarHBondContact O-CB 3.43Å; S409-W412 PolarHBondContact O-N 3.16Å; Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; W412-N414 PolarHBondContact O-N 2.95Å; W412-A415 PolarHBondContact O-N 3.29Å; W412-L416 HydrophobicContact CE3-CB 4.45Å; W412-L416 HydrophobicContact CH2-CD1 3.72Å; W412-L416 HydrophobicContact CH2-CD2 4.34Å; W412-L416 HydrophobicContact CH2-CG 4.46Å; W412-L416 HydrophobicContact CZ2-CD1 4.07Å; W412-L416 HydrophobicContact CZ3-CB 4.28Å; W412-L416 HydrophobicContact CZ3-CD1 4.16Å; W412-L416 HydrophobicContact CZ3-CD2 4.14Å; W412-L416 HydrophobicContact CZ3-CG 4.43Å; W412-L416 WeakPolarHBondContact O-CB 3.42Å; W412-L416 PolarHBondContact O-N 3.32Å
413H83.7Confident71.2Confident37 Ų3747.5 Ų47.517%0.17131%0.31CS..Hα-helixtrans-62.8-43.2177.8-171.768.2000111.8S409 Q410 L416 I417S409-H413 PolarHBondContact O-N 2.97Å; Q410-H413 PolarHBondContact O-N 3.27Å; H413-L416 PolarHBondContact O-N 2.79Å; H413-I417 VanDerWaalsContact CD2-CD1 3.49Å; H413-I417 WeakPolarHBondContact CD2-CD1 3.47Å; H413-I417 WeakPolarHBondContact NE2-CD1 3.21Å; H413-I417 WeakPolarHBondContact O-CG1 3.46Å; H413-I417 PolarHBondContact O-N 3.32Å
414N84.4Confident71.5Confident79 Ų7950.7 Ų50.742%0.42231%0.311SS..Hα-helixtrans-63.8-41.7176.6-68.5-8.7000111.8Q410 S411 W412 L416 I417 S418Q410-N414 PolarHBondContact NE2-OD1 3.46Å; Q410-N414 WeakPolarHBondContact O-CB 3.46Å; Q410-N414 PolarHBondContact O-N 2.81Å; Q410-N414 PolarHBondContact O-OD1 3.16Å; S411-N414 PolarHBondContact O-N 2.93Å; W412-N414 PolarHBondContact O-N 2.95Å; N414-L416 VanDerWaalsContact C-N 3.35Å; N414-I417 PolarHBondContact O-N 3.13Å; N414-S418 VanDerWaalsContact O-CB 3.27Å; N414-S418 WeakPolarHBondContact O-CB 3.49Å; N414-S418 PolarHBondContact O-N 2.96Å
415A85.3Confident71.1Confident13 Ų1352.2 Ų52.211%0.10730%0.302CS..Hα-helixtrans-61.2-44.9174.800000111.1M151 L154 M155 S411 W412 S418 M419M151-A415 HydrophobicContact CE-CB 3.94Å; M151-A415 HydrophobicContact SD-CB 4.19Å; L154-A415 HydrophobicContact CB-CB 3.88Å; L154-A415 HydrophobicContact CD1-CB 3.95Å; M155-A415 HydrophobicContact CG-CB 4.49Å; M155-A415 HydrophobicContact SD-CB 4.12Å; S411-A415 WeakPolarHBondContact O-CB 3.15Å; S411-A415 PolarHBondContact O-N 2.94Å; W412-A415 PolarHBondContact O-N 3.29Å; A415-S418 PolarHBondContact O-N 3.18Å; A415-M419 WeakPolarHBondContact O-CG 3.45Å; A415-M419 PolarHBondContact O-N 3.49Å; A415-M419 VanDerWaalsContact O-N 3.13Å
416L82Confident69.8Low6 Ų652.4 Ų52.43%0.03130%0.303CS..Hα-helixtrans-62.8-48177.7-167.5101.9000111.6Y112 L115 L147 M151 W412 H413 N414 S418 M419 L420Y112-L416 HydrophobicContact CD1-CD2 3.74Å; Y112-L416 HydrophobicContact CE1-CD2 3.36Å; L115-L416 HydrophobicContact CD2-CD1 3.82Å; L147-L416 HydrophobicContact CD1-CD1 4.3Å; M151-L416 HydrophobicContact CE-CB 3.84Å; M151-L416 HydrophobicContact CE-CD1 4.09Å; M151-L416 HydrophobicContact CG-CD1 4.48Å; M151-L416 HydrophobicContact SD-CB 4.07Å; M151-L416 HydrophobicContact SD-CD1 4.03Å; W412-L416 HydrophobicContact CE3-CB 4.45Å; W412-L416 HydrophobicContact CH2-CD1 3.72Å; W412-L416 HydrophobicContact CH2-CD2 4.34Å; W412-L416 HydrophobicContact CH2-CG 4.46Å; W412-L416 HydrophobicContact CZ2-CD1 4.07Å; W412-L416 HydrophobicContact CZ3-CB 4.28Å; W412-L416 HydrophobicContact CZ3-CD1 4.16Å; W412-L416 HydrophobicContact CZ3-CD2 4.14Å; W412-L416 HydrophobicContact CZ3-CG 4.43Å; W412-L416 WeakPolarHBondContact O-CB 3.42Å; W412-L416 PolarHBondContact O-N 3.32Å; H413-L416 PolarHBondContact O-N 2.79Å; N414-L416 VanDerWaalsContact C-N 3.35Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 3.37Å; L416-M419 PolarHBondContact O-N 3.45Å; L416-M419 VanDerWaalsContact O-N 3.12Å; L416-L420 HydrophobicContact CD2-CD1 3.46Å; L416-L420 VanDerWaalsContact CD2-CD1 3.46Å; L416-L420 HydrophobicContact CG-CD1 3.68Å; L416-L420 HydrophobicContact CG-CG 4.44Å; L416-L420 WeakPolarHBondContact O-CB 3.27Å; L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 3.18Å
417I74.5Confident68Low67 Ų6755.7 Ų55.734%0.34432%0.324SS..Hα-helixtrans-59.3-44.7176.1-72.7174.9000110.8H413 N414 M419 L420 C421H413-I417 VanDerWaalsContact CD2-CD1 3.49Å; H413-I417 WeakPolarHBondContact CD2-CD1 3.47Å; H413-I417 WeakPolarHBondContact NE2-CD1 3.21Å; H413-I417 WeakPolarHBondContact O-CG1 3.46Å; H413-I417 PolarHBondContact O-N 3.32Å; N414-I417 PolarHBondContact O-N 3.13Å; I417-M419 PolarHBondContact O-N 2.92Å; I417-L420 PolarHBondContact O-N 3.27Å; I417-L420 VanDerWaalsContact O-N 3.08Å; I417-C421 PolarHBondContact O-N 3.44Å
418S73.1Confident65.3Low60 Ų6059.6 Ų59.642%0.4235%0.347SS..Hα-helixtrans-59.2-29.6178.5-177.40000112.2N414 A415 L416N414-S418 VanDerWaalsContact O-CB 3.27Å; N414-S418 WeakPolarHBondContact O-CB 3.49Å; N414-S418 PolarHBondContact O-N 2.96Å; A415-S418 PolarHBondContact O-N 3.18Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 3.37Å
419M69.7Low62.3Low36 Ų3667.8 Ų67.818%0.17739%0.389CS..Hα-helixtrans-82.9-35.7174.3-63.9-149.1-4900113.3L147 K150 M151 L154 A415 L416 I417L147-M419 HydrophobicContact CD1-CE 3.28Å; K150-M419 HydrophobicContact CB-CE 3.79Å; K150-M419 HydrophobicContact CB-SD 3.28Å; K150-M419 WeakPolarHBondContact CB-SD 3.4Å; K150-M419 HydrophobicContact CD-CE 4.3Å; K150-M419 HydrophobicContact CD-SD 3.82Å; K150-M419 HydrophobicContact CG-SD 4.19Å; M151-M419 HydrophobicContact CG-CE 3.79Å; M151-M419 HydrophobicContact SD-CE 3.65Å; M151-M419 HydrophobicContact SD-SD 4.48Å; L154-M419 HydrophobicContact CD1-CG 3.55Å; L154-M419 HydrophobicContact CD1-SD 3.79Å; A415-M419 WeakPolarHBondContact O-CG 3.45Å; A415-M419 PolarHBondContact O-N 3.49Å; A415-M419 VanDerWaalsContact O-N 3.13Å; L416-M419 PolarHBondContact O-N 3.45Å; L416-M419 VanDerWaalsContact O-N 3.12Å; I417-M419 PolarHBondContact O-N 2.92Å
420L63.9Low59.2Low24 Ų2471.9 Ų71.913%0.12642%0.418CS..Hα-helixtrans-74.7-36.4-176.6-79.9167.2000113.1L107 L416 I417 W458L107-L420 HydrophobicContact CD2-CD1 3.55Å; L107-L420 HydrophobicContact CD2-CD2 3.29Å; L107-L420 HydrophobicContact CD2-CG 4.06Å; L416-L420 HydrophobicContact CD2-CD1 3.46Å; L416-L420 VanDerWaalsContact CD2-CD1 3.46Å; L416-L420 HydrophobicContact CG-CD1 3.68Å; L416-L420 HydrophobicContact CG-CG 4.44Å; L416-L420 WeakPolarHBondContact O-CB 3.27Å; L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 3.18Å; I417-L420 PolarHBondContact O-N 3.27Å; I417-L420 VanDerWaalsContact O-N 3.08Å; L420-W458 HydrophobicContact CD2-CH2 4.23Å; L420-W458 HydrophobicContact CD2-CZ2 3.14Å; L420-W458 HydrophobicContact CG-CZ2 4.02Å
421C59.7Low56.3Low52 Ų5277.1 Ų77.135%0.35145%0.447SS..  trans-128.874.4-176.9-65.50000111I417 T423 L424I417-C421 PolarHBondContact O-N 3.44Å; C421-T423 PolarHBondContact O-N 3.36Å; C421-T423 VanDerWaalsContact O-N 3.15Å; C421-L424 HydrophobicContact CB-CD1 3.82Å; C421-L424 PolarHBondContact O-N 3.45Å
422P47.8Very low53.3Low64 Ų6480.2 Ų80.242%0.41647%0.473SS..G310 helixtrans-59.6-28178.6-19.330.2000113L424 H425 P457P422-L424 VanDerWaalsContact C-N 3.28Å; P422-L424 PolarHBondContact O-N 3.17Å; P422-H425 PolarHBondContact O-N 2.98Å; P422-P457 HydrophobicContact CG-CB 4.11Å; P422-P457 HydrophobicContact CG-CG 4.14Å
423T45.4Very low50.3Low109 Ų10989.7 Ų89.767%0.66952%0.518SS*.G310 helixtrans-69.2-18.1-175.350.80000114.2C421 H425 T426C421-T423 PolarHBondContact O-N 3.36Å; C421-T423 VanDerWaalsContact O-N 3.15Å; T423-H425 VanDerWaalsContact C-N 3.28Å; T423-H425 PolarHBondContact O-N 3.04Å; T423-T426 PolarHBondContact O-OG1 3.36Å
424L41.7Very low47.3Very low129 Ų12997.7 Ų97.768%0.67555%0.552SS**G310 helixtrans-75.8-11.7179.7-97.2142000113.9C421 P422C421-L424 HydrophobicContact CB-CD1 3.82Å; C421-L424 PolarHBondContact O-N 3.45Å; P422-L424 VanDerWaalsContact C-N 3.28Å; P422-L424 PolarHBondContact O-N 3.17Å
425H36.4Very low44.4Very low130 Ų130102.6 Ų102.660%0.60257%0.572SS**G310 helixtrans-117.313.5-177.9-84-57.9000115.6P422 T423 S427P422-H425 PolarHBondContact O-N 2.98Å; T423-H425 VanDerWaalsContact C-N 3.28Å; T423-H425 PolarHBondContact O-N 3.04Å; H425-S427 PolarHBondContact O-N 3.42Å
426T29Very low41.4Very low118 Ų118108.6 Ų108.672%0.72461%0.608SS**THydrogen-bonded Turntrans-71.210.8-179.448.70000115.8T423T423-T426 PolarHBondContact O-OG1 3.36Å
427S30.5Very low38.7Very low108 Ų108113.7 Ų113.776%0.75564%0.644SS**THydrogen-bonded Turntrans-92.6-4.4175.851.10000115.6H425H425-S427 PolarHBondContact O-N 3.42Å
428T27.7Very low36.3Very low116 Ų116120.4 Ų120.471%0.71267%0.674SS**THydrogen-bonded Turntrans-139.91-178.731.70000118.6
429L23.6Very low34Very low172 Ų172126.4 Ų126.490%0.90169%0.693SS**  trans-13065.7176-96.5124.3000112.5
430S22.6Very low31.8Very low100 Ų100130.4 Ų130.470%0.69972%0.724SS**  trans-108.6140.6152.660.50000107.4
431I24.9Very low30.3Very low173 Ų173134.1 Ų134.189%0.88775%0.748SS**SBendtrans99.970.9-176.9-47152.4000112.7
432A24.9Very low28.9Very low91 Ų91136.4 Ų136.475%0.75276%0.76SS**SBendtrans166.266.7138.600000111.6
433Q25.2Very low28.1Very low200 Ų200141.7 Ų141.794%0.93578%0.779SS**  trans-168.434.3160.3-112.7166.98.800114.1
434K21.9Very low27.6Very low204 Ų204143 Ų14389%0.88778%0.778SS**  trans-104.374.1175.3-156179.9-168.9-179.70109.2
435Q22.2Very low27.2Very low182 Ų182141.2 Ų141.285%0.8577%0.766SS**  trans-175.7100.7166.2-103.7162.14200108.9
436T23.8Very low27.1Very low140 Ų140141 Ų14186%0.85977%0.765SS**SBendtrans164.4140.6133.637.60000110.5
437S25.1Very low27.3Very low113 Ų113142 Ų14279%0.7976%0.762SS**  trans7975167.5-57.80000117.5K439S437-K439 PolarHBondContact O-N 2.97Å; S437-K439 VanDerWaalsContact O-N 3.13Å
438Q23.9Very low27.7Very low207 Ų207140.1 Ų140.197%0.96774%0.743SS**  trans-59.1101.3145.6-74.2171.4-3000108.3
439K24.5Very low27.8Very low186 Ų186139.3 Ų139.381%0.80973%0.733SS**  trans-106.2121.7161.3-135.7176.3-175.7-178.30106.1S437 V441S437-K439 PolarHBondContact O-N 2.97Å; S437-K439 VanDerWaalsContact O-N 3.13Å; K439-V441 PolarHBondContact O-N 3.49Å
440S23.9Very low28.2Very low121 Ų121136.7 Ų136.785%0.84672%0.719SS**  trans-59.7102178.150.20000109.5
441V31.3Very low28.7Very low102 Ų102137.2 Ų137.262%0.61872%0.719SS**  trans-86122.9175.1178.80000107.7K439 E445K439-V441 PolarHBondContact O-N 3.49Å; V441-E445 HydrophobicContact CG1-CB 4.05Å
442T31.1Very low29Very low99 Ų99130.7 Ų130.761%0.60769%0.689SS**  trans-65.8140.1175.444.80000110.3E444 E445T442-E444 PolarHBondContact O-N 3.46Å; T442-E445 PolarHBondContact O-N 3.22Å
443Q31.5Very low29.2Very low176 Ų176132.7 Ų132.782%0.82269%0.687SS**G310 helixtrans-50.3-18.6-177.8-79.1176.8-51.300115E445 E446Q443-E445 VanDerWaalsContact C-N 3.3Å; Q443-E445 PolarHBondContact O-N 2.87Å; Q443-E446 PolarHBondContact O-N 2.76Å
444E33.6Very low29.3Very low137 Ų137132.3 Ų132.364%0.6468%0.678SS**G310 helixtrans-68.8-18.4179.4-65.1-171.8169.100115.4T442T442-E444 PolarHBondContact O-N 3.46Å
445E34.1Very low29.9Very low91 Ų91130 Ų13043%0.42568%0.675SS.*G310 helixtrans-82.3-18.4173.7-70.9-166.8154.300112.9V441 T442 Q443 I448 L449V441-E445 HydrophobicContact CG1-CB 4.05Å; T442-E445 PolarHBondContact O-N 3.22Å; Q443-E445 VanDerWaalsContact C-N 3.3Å; Q443-E445 PolarHBondContact O-N 2.87Å; E445-I448 PolarHBondContact O-N 2.8Å; E445-L449 PolarHBondContact O-N 3.13Å
446E33.7Very low30.4Very low125 Ų125122.3 Ų122.358%0.58464%0.64SS**Hα-helixtrans-71-35.8-178.8-142.7172.2-169.700111.5Q443 I448 L449 L450Q443-E446 PolarHBondContact O-N 2.76Å; E446-I448 VanDerWaalsContact C-N 3.29Å; E446-I448 PolarHBondContact O-N 2.85Å; E446-L449 PolarHBondContact O-N 3.18Å; E446-L450 HydrophobicContact CG-CD1 4.03Å; E446-L450 VanDerWaalsContact O-CD1 3.25Å; E446-L450 WeakPolarHBondContact O-CD1 3.47Å; E446-L450 PolarHBondContact O-N 2.75Å; E446-L450 VanDerWaalsContact O-N 3.14Å
447E33Very low30.9Very low140 Ų140118.2 Ų118.265%0.65462%0.616SS**Hα-helixtrans-71.6-21-179.1-150.7-172.8-16900113.7
448I39.4Very low31.4Very low68 Ų68115.7 Ų115.735%0.34959%0.589SS.*Hα-helixtrans-85.7-26.3175.5-58175000110.7E445 E446 T469E445-I448 PolarHBondContact O-N 2.8Å; E446-I448 VanDerWaalsContact C-N 3.29Å; E446-I448 PolarHBondContact O-N 2.85Å; I448-T469 HydrophobicContact CG2-CG2 4.25Å
449L28.7Very low32.1Very low99 Ų99107.8 Ų107.852%0.51856%0.557SS.*Hα-helixtrans-85.4-15.8177.2-96.8125.2000114.5E445 E446 T451 S452E445-L449 PolarHBondContact O-N 3.13Å; E446-L449 PolarHBondContact O-N 3.18Å; L449-T451 PolarHBondContact O-N 3.36Å; L449-S452 PolarHBondContact O-N 2.96Å; L449-S452 PolarHBondContact O-OG 3.17Å
450L33.3Very low32.9Very low116 Ų116104 Ų10461%0.60755%0.549SS*.THydrogen-bonded Turntrans-74.2-3.3-175.4-109.9105.7000116.1E446E446-L450 HydrophobicContact CG-CD1 4.03Å; E446-L450 VanDerWaalsContact O-CD1 3.25Å; E446-L450 WeakPolarHBondContact O-CD1 3.47Å; E446-L450 PolarHBondContact O-N 2.75Å; E446-L450 VanDerWaalsContact O-N 3.14Å
451T33.6Very low34.1Very low111 Ų111102 Ų10268%0.68153%0.528SS*.THydrogen-bonded Turntrans-110.97.3174.463.40000114.1L449L449-T451 PolarHBondContact O-N 3.36Å
452S31.1Very low35.5Very low37 Ų3798.8 Ų98.826%0.25951%0.507SS..SBendtrans-91.1120.1171.1640000110L449 Y454L449-S452 PolarHBondContact O-N 2.96Å; L449-S452 PolarHBondContact O-OG 3.17Å; S452-Y454 PolarHBondContact O-N 2.64Å
453D28.2Very low37Very low133 Ų13394.5 Ų94.571%0.71148%0.481SS*.  trans-48.3111.2170.1-80.6-42.7000110.2N455 N456D453-N455 PolarHBondContact O-N 2.89Å; D453-N456 PolarHBondContact O-N 3.48Å; D453-N456 VanDerWaalsContact O-N 3.17Å
454Y27.9Very low38.6Very low192 Ų19287.8 Ų87.875%0.75345%0.451SS*.THydrogen-bonded Turntrans-57.1-4.7-178.7-92.5-90000114.5S452S452-Y454 PolarHBondContact O-N 2.64Å
455N32.9Very low40.2Very low154 Ų15485 Ų8582%0.82444%0.44SS*.THydrogen-bonded Turntrans-106.2-0.2-176.1-65.8-31.8000114.3D453 P457D453-N455 PolarHBondContact O-N 2.89Å; N455-P457 WeakPolarHBondContact O-CD 3.43Å
456N33.3Very low41.9Very low22 Ų2286.1 Ų86.112%0.11844%0.441CS..  trans-103.4109.2176.5-153.8-40.1000111.5H100 E104 D453 W458 S459H100-N456 PolarHBondContact CE1-ND2 2.81Å; H100-N456 VanDerWaalsContact CE1-ND2 3.26Å; E104-N456 PolarHBondContact OE1-ND2 3.41Å; D453-N456 PolarHBondContact O-N 3.48Å; D453-N456 VanDerWaalsContact O-N 3.17Å; N456-W458 PolarHBondContact O-N 3.41Å; N456-W458 WeakPolarHBondContact OD1-CB 3.29Å; N456-W458 PolarHBondContact OD1-N 2.98Å; N456-S459 WeakPolarHBondContact O-CB 3.34Å; N456-S459 PolarHBondContact O-N 3.17Å; N456-S459 PolarHBondContact O-OG 2.98Å
457P34.1Very low43.6Very low53 Ų5381.3 Ų81.334%0.34442%0.418SS..THydrogen-bonded Turntrans-59.1-18.2175.9-19.530.8000113.5P422 N455P422-P457 HydrophobicContact CG-CB 4.11Å; P422-P457 HydrophobicContact CG-CG 4.14Å; N455-P457 WeakPolarHBondContact O-CD 3.43Å
458W35.4Very low45.5Very low60 Ų6074.8 Ų74.823%0.22739%0.388CS..THydrogen-bonded Turntrans-86.1-17.6175.1-59.684.7000113.3L147 L420 N456 T460L147-W458 HydrophobicContact CD1-CH2 4.13Å; L420-W458 HydrophobicContact CD2-CH2 4.23Å; L420-W458 HydrophobicContact CD2-CZ2 3.14Å; L420-W458 HydrophobicContact CG-CZ2 4.02Å; N456-W458 PolarHBondContact O-N 3.41Å; N456-W458 WeakPolarHBondContact OD1-CB 3.29Å; N456-W458 PolarHBondContact OD1-N 2.98Å; W458-T460 PolarHBondContact O-N 2.97Å
459S39.7Very low46.9Very low42 Ų4273.6 Ų73.629%0.29438%0.384SS..THydrogen-bonded Turntrans-66.4-20.6170.574.60000112N456 I461N456-S459 WeakPolarHBondContact O-CB 3.34Å; N456-S459 PolarHBondContact O-N 3.17Å; N456-S459 PolarHBondContact O-OG 2.98Å; S459-I461 PolarHBondContact O-N 3.22Å
460T40.1Very low49Very low105 Ų10572.2 Ų72.264%0.64438%0.377SS*.SBendtrans-71.858.1171.4-41.40000111.3W458W458-T460 PolarHBondContact O-N 2.97Å
461I50.8Low51Low81 Ų8169.8 Ų69.842%0.41536%0.36SS..  trans91.576169.6-47.7148.9000112.5S459 P463 R466S459-I461 PolarHBondContact O-N 3.22Å; I461-P463 WeakPolarHBondContact O-CD 3.38Å; I461-P463 VanDerWaalsContact O-N 3.07Å; I461-R466 HydrophobicContact CG2-CB 3.63Å; I461-R466 VanDerWaalsContact CG2-CD 3.4Å; I461-R466 HydrophobicContact CG2-CG 4.14Å
462D60.4Low53Low33 Ų3365.8 Ų65.818%0.17633%0.332CS..  trans-54.2114.1147.9176.727.1000106.6R143 I464 N465 R466R143-D462 IonicContact CZ-OD1 3.14Å; R143-D462 IonicContact NE-OD1 2.73Å; R143-D462 IonicContact NH2-OD1 3.9Å; R143-D462 PolarHBondContact NH2-OD1 3.34Å; R143-D462 IonicContact NH2-OD2 3.38Å; D462-I464 PolarHBondContact O-N 3.26Å; D462-I464 VanDerWaalsContact O-N 3.1Å; D462-N465 HydrophobicContact CB-CB 3.98Å; D462-N465 PolarHBondContact O-N 3.24Å; D462-N465 PolarHBondContact OD2-N 3.04Å; D462-R466 PolarHBondContact O-N 3.38Å
463P61.7Low55.1Low9 Ų969 Ų696%0.05834%0.338CS..Hα-helixtrans-57.6-31.5-173-25.236.2000112I142 K146 T221 I461 L467I142-P463 HydrophobicContact CG2-CB 3.79Å; I142-P463 HydrophobicContact CG2-CG 4.36Å; K146-P463 HydrophobicContact CD-CB 4.31Å; K146-P463 HydrophobicContact CD-CG 3.52Å; K146-P463 HydrophobicContact CG-CG 4.43Å; T221-P463 HydrophobicContact CG2-CB 4.12Å; I461-P463 WeakPolarHBondContact O-CD 3.38Å; I461-P463 VanDerWaalsContact O-N 3.07Å; P463-L467 WeakPolarHBondContact O-CB 3.49Å; P463-L467 PolarHBondContact O-N 3.35Å
464I65.7Low57.7Low35 Ų3566.6 Ų66.618%0.17933%0.33CS..Hα-helixtrans-68.3-46.1178.2-58.4170.1000110P139 D462 L467 S468P139-I464 HydrophobicContact CB-CD1 3.83Å; P139-I464 HydrophobicContact CB-CG1 4.25Å; P139-I464 HydrophobicContact CG-CD1 4.37Å; D462-I464 PolarHBondContact O-N 3.26Å; D462-I464 VanDerWaalsContact O-N 3.1Å; I464-L467 WeakPolarHBondContact O-CB 3.32Å; I464-L467 PolarHBondContact O-N 3.42Å; I464-S468 PolarHBondContact O-N 3.17Å
465N67.7Low60.5Low78 Ų7857.5 Ų57.542%0.41730%0.295SS..Hα-helixtrans-62.9-44.2176.6-161.27.1000111.2D462 L467 S468 T469D462-N465 HydrophobicContact CB-CB 3.98Å; D462-N465 PolarHBondContact O-N 3.24Å; D462-N465 PolarHBondContact OD2-N 3.04Å; N465-L467 VanDerWaalsContact C-N 3.33Å; N465-L467 PolarHBondContact O-N 3Å; N465-S468 CarbonylContact O-C 3.58Å; N465-S468 WeakPolarHBondContact O-CA 3.48Å; N465-S468 WeakPolarHBondContact O-CB 3.22Å; N465-S468 PolarHBondContact O-N 3.33Å; N465-S468 VanDerWaalsContact O-N 3.08Å; N465-S468 PolarHBondContact O-OG 3.31Å; N465-S468 PolarHBondContact OD1-OG 3.08Å; N465-T469 PolarHBondContact O-N 2.98Å; N465-T469 PolarHBondContact O-OG1 2.96Å
466R69.9Low62.9Low116 Ų11650.7 Ų50.744%0.43826%0.259SS..Hα-helixtrans-60.1-40.8174.4172.7175.2176.1-172.9-2.6112.8I461 D462 S468 T469 I470I461-R466 HydrophobicContact CG2-CB 3.63Å; I461-R466 VanDerWaalsContact CG2-CD 3.4Å; I461-R466 HydrophobicContact CG2-CG 4.14Å; D462-R466 PolarHBondContact O-N 3.38Å; R466-S468 VanDerWaalsContact C-N 3.3Å; R466-S468 PolarHBondContact O-N 2.9Å; R466-T469 PolarHBondContact O-N 3.42Å; R466-I470 HydrophobicContact CG-CD1 3.78Å; R466-I470 HydrophobicContact CG-CG1 4.31Å; R466-I470 VanDerWaalsContact O-CG1 3.3Å; R466-I470 WeakPolarHBondContact O-CG1 3.46Å; R466-I470 PolarHBondContact O-N 3.41Å
467L68.3Low65.4Low23 Ų2352.8 Ų52.812%0.1228%0.275CS..Hα-helixtrans-60.6-42.7174.5-167.169.4000111.2T217 E220 P463 I464 N465 T469 I470 R471T217-L467 HydrophobicContact CG2-CD2 3.89Å; E220-L467 HydrophobicContact CB-CD1 3.99Å; E220-L467 WeakPolarHBondContact OE2-CD1 3.26Å; P463-L467 WeakPolarHBondContact O-CB 3.49Å; P463-L467 PolarHBondContact O-N 3.35Å; I464-L467 WeakPolarHBondContact O-CB 3.32Å; I464-L467 PolarHBondContact O-N 3.42Å; N465-L467 VanDerWaalsContact C-N 3.33Å; N465-L467 PolarHBondContact O-N 3Å; L467-T469 VanDerWaalsContact C-N 3.31Å; L467-T469 PolarHBondContact O-N 3.44Å; L467-I470 PolarHBondContact O-N 3.36Å; L467-R471 WeakPolarHBondContact O-CG 3.38Å; L467-R471 PolarHBondContact O-N 3.26Å
468S73Confident68Low3 Ų351.9 Ų51.92%0.02127%0.273CS..Hα-helixtrans-64.5-35.1175.784.50000112.4I464 N465 R466 Y472 R512 S515I464-S468 PolarHBondContact O-N 3.17Å; N465-S468 CarbonylContact O-C 3.58Å; N465-S468 WeakPolarHBondContact O-CA 3.48Å; N465-S468 WeakPolarHBondContact O-CB 3.22Å; N465-S468 PolarHBondContact O-N 3.33Å; N465-S468 VanDerWaalsContact O-N 3.08Å; N465-S468 PolarHBondContact O-OG 3.31Å; N465-S468 PolarHBondContact OD1-OG 3.08Å; R466-S468 VanDerWaalsContact C-N 3.3Å; R466-S468 PolarHBondContact O-N 2.9Å; S468-Y472 WeakPolarHBondContact O-CB 3.42Å; S468-Y472 PolarHBondContact O-N 3.49Å; S468-Y472 VanDerWaalsContact O-N 3.08Å; S468-R512 WeakPolarHBondContact CA-O 3.27Å; S468-R512 WeakPolarHBondContact CB-O 3.43Å; S468-S515 VanDerWaalsContact C-OG 3.28Å; S468-S515 VanDerWaalsContact CB-OG 3.31Å; S468-S515 WeakPolarHBondContact CB-OG 3.38Å; S468-S515 PolarHBondContact O-OG 3.24Å; S468-S515 PolarHBondContact OG-OG 3.41Å
469T69.7Low70.6Confident43 Ų4349 Ų4926%0.26426%0.262SS..Hα-helixtrans-74.9-39.2177.7-55.60000112.4I448 N465 R466 L467 R471 Y472I448-T469 HydrophobicContact CG2-CG2 4.25Å; N465-T469 PolarHBondContact O-N 2.98Å; N465-T469 PolarHBondContact O-OG1 2.96Å; R466-T469 PolarHBondContact O-N 3.42Å; L467-T469 VanDerWaalsContact C-N 3.31Å; L467-T469 PolarHBondContact O-N 3.44Å; T469-R471 VanDerWaalsContact C-N 3.26Å; T469-R471 PolarHBondContact O-N 2.9Å; T469-Y472 VanDerWaalsContact O-CB 3.29Å; T469-Y472 WeakPolarHBondContact O-CB 3.39Å; T469-Y472 PolarHBondContact O-N 2.84Å
470I71.3Confident72.9Confident71 Ų7147.6 Ų47.636%0.36425%0.25SS..Hα-helixtrans-62.4-39.6176-71167000110.1R466 L467 P474R466-I470 HydrophobicContact CG-CD1 3.78Å; R466-I470 HydrophobicContact CG-CG1 4.31Å; R466-I470 VanDerWaalsContact O-CG1 3.3Å; R466-I470 WeakPolarHBondContact O-CG1 3.46Å; R466-I470 PolarHBondContact O-N 3.41Å; L467-I470 PolarHBondContact O-N 3.36Å; I470-P474 WeakPolarHBondContact O-CD 3.48Å
471R75.5Confident75.2Confident65 Ų6546.9 Ų46.925%0.24524%0.242CC..Hα-helixtrans-75.6-22.9178.2-65.5176.2-174-177.82.4113.4E220 L467 T469 A475E220-R471 IonicContact OE2-NH2 3.8Å; L467-R471 WeakPolarHBondContact O-CG 3.38Å; L467-R471 PolarHBondContact O-N 3.26Å; T469-R471 VanDerWaalsContact C-N 3.26Å; T469-R471 PolarHBondContact O-N 2.9Å; R471-A475 WeakPolarHBondContact O-CB 3.45Å; R471-A475 PolarHBondContact O-N 2.98Å
472Y75.8Confident77.1Confident26 Ų2645.5 Ų45.510%0.10223%0.234CC..Hα-helixtrans-60.3-50.4-179.3172.5-85.4000113.4S468 T469 A475 T476 L519 K522S468-Y472 WeakPolarHBondContact O-CB 3.42Å; S468-Y472 PolarHBondContact O-N 3.49Å; S468-Y472 VanDerWaalsContact O-N 3.08Å; T469-Y472 VanDerWaalsContact O-CB 3.29Å; T469-Y472 WeakPolarHBondContact O-CB 3.39Å; T469-Y472 PolarHBondContact O-N 2.84Å; Y472-A475 PolarHBondContact O-N 3.01Å; Y472-T476 PolarHBondContact O-N 3.35Å; Y472-T476 PolarHBondContact O-OG1 2.87Å; Y472-L519 HydrophobicContact CD2-CB 3.61Å; Y472-L519 HydrophobicContact CD2-CD1 3.73Å; Y472-L519 HydrophobicContact CD2-CG 4.03Å; Y472-L519 HydrophobicContact CE2-CB 3.48Å; Y472-L519 VanDerWaalsContact CE2-CB 3.48Å; Y472-L519 HydrophobicContact CE2-CD1 4.18Å; Y472-L519 HydrophobicContact CE2-CG 3.99Å; Y472-L519 HydrophobicContact CG-CD1 4.15Å; Y472-L519 WeakPolarHBondContact O-CD1 3.4Å; Y472-K522 WeakPolarHBondContact OH-CD 3.43Å
473R76.1Confident78.3Confident104 Ų10444 Ų4439%0.39223%0.226SC..Hα-helixtrans-63.3-53.2-173.9-83.2-175.9179.8141.1-1.6111.7A475 T476 S477R473-A475 VanDerWaalsContact C-N 3.34Å; R473-A475 PolarHBondContact O-N 3.36Å; R473-T476 PolarHBondContact O-N 2.84Å; R473-S477 PolarHBondContact O-N 2.92Å; R473-S477 PolarHBondContact O-OG 2.81Å
474P82.7Confident79.4Confident83 Ų8348.4 Ų48.454%0.53924%0.244SC..Hα-helixtrans-62.5-38.3178-22.734.3000113.2I470 S477 A478I470-P474 WeakPolarHBondContact O-CD 3.48Å; P474-S477 PolarHBondContact O-N 3.36Å; P474-A478 VanDerWaalsContact O-CB 3.25Å; P474-A478 WeakPolarHBondContact O-CB 3.36Å; P474-A478 PolarHBondContact O-N 3.48Å
475A85.6Confident80.3Confident1 Ų151.7 Ų51.71%0.00826%0.259CS..Hα-helixtrans-64.6-41.4179.200000112.4R471 Y472 R473 A479 L510 A511 L519R471-A475 WeakPolarHBondContact O-CB 3.45Å; R471-A475 PolarHBondContact O-N 2.98Å; Y472-A475 PolarHBondContact O-N 3.01Å; R473-A475 VanDerWaalsContact C-N 3.34Å; R473-A475 PolarHBondContact O-N 3.36Å; A475-A479 VanDerWaalsContact O-CB 3.31Å; A475-A479 WeakPolarHBondContact O-CB 3.35Å; A475-A479 PolarHBondContact O-N 3.12Å; A475-L510 HydrophobicContact CB-CB 3.7Å; A475-A511 HydrophobicContact CB-CB 3.86Å; A475-L519 HydrophobicContact CB-CD1 3.84Å
476T84Confident80.9Confident11 Ų1155 Ų557%0.06728%0.276CS..Hα-helixtrans-62.5-50.2176.5-52.30000110.6Y472 R473 A478 A479 E480 L519Y472-T476 PolarHBondContact O-N 3.35Å; Y472-T476 PolarHBondContact O-OG1 2.87Å; R473-T476 PolarHBondContact O-N 2.84Å; T476-A478 PolarHBondContact O-N 3.33Å; T476-A479 PolarHBondContact O-N 3.2Å; T476-E480 WeakPolarHBondContact CG2-OE1 3.39Å; T476-E480 WeakPolarHBondContact O-CG 3.05Å; T476-E480 PolarHBondContact O-N 2.98Å; T476-L519 VanDerWaalsContact OG1-CD1 3.24Å; T476-L519 WeakPolarHBondContact OG1-CD1 3.48Å; T476-L519 WeakPolarHBondContact OG1-CG 3.49Å
477S85.7Confident81.1Confident66 Ų6652.1 Ų52.146%0.46227%0.27SS..Hα-helixtrans-63.4-40.7179.7-59.10000112.7R473 P474 E480 N481R473-S477 PolarHBondContact O-N 2.92Å; R473-S477 PolarHBondContact O-OG 2.81Å; P474-S477 PolarHBondContact O-N 3.36Å; S477-E480 PolarHBondContact O-N 2.89Å; S477-N481 WeakPolarHBondContact O-CB 3.42Å; S477-N481 VanDerWaalsContact O-CG 3.24Å; S477-N481 PolarHBondContact O-N 3.27Å; S477-N481 PolarHBondContact O-ND2 3.26Å
478A88.2Confident81.2Confident35 Ų3553.6 Ų53.629%0.28928%0.281SS..Hα-helixtrans-63.8-43.5176.600000111.9P474 T476 N481 H482 V506 L510P474-A478 VanDerWaalsContact O-CB 3.25Å; P474-A478 WeakPolarHBondContact O-CB 3.36Å; P474-A478 PolarHBondContact O-N 3.48Å; T476-A478 PolarHBondContact O-N 3.33Å; A478-N481 PolarHBondContact O-N 3.43Å; A478-H482 WeakPolarHBondContact O-CB 3.25Å; A478-H482 PolarHBondContact O-N 3.34Å; A478-V506 HydrophobicContact CB-CG1 4.31Å; A478-L510 HydrophobicContact CB-CD1 3.61Å
479A91Very high80.7Confident0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-65.4-39.1177.800000112.6A475 T476 H482 Y483 A503 V506 A507 L523A475-A479 VanDerWaalsContact O-CB 3.31Å; A475-A479 WeakPolarHBondContact O-CB 3.35Å; A475-A479 PolarHBondContact O-N 3.12Å; T476-A479 PolarHBondContact O-N 3.2Å; A479-H482 PolarHBondContact O-N 2.93Å; A479-Y483 PolarHBondContact O-N 3.41Å; A479-A503 HydrophobicContact CB-CB 4.46Å; A479-A503 WeakPolarHBondContact CB-O 3.44Å; A479-A503 WeakPolarHBondContact O-CB 3.29Å; A479-V506 HydrophobicContact CB-CG1 4.49Å; A479-A507 HydrophobicContact CB-CB 3.88Å; A479-L523 HydrophobicContact CB-CD1 4.04Å; A479-L523 HydrophobicContact CB-CD2 3.66Å
480E88.4Confident80.1Confident12 Ų1264 Ų646%0.05633%0.334CS..Hα-helixtrans-65.6-44174.5-76.9176.7-149.700112.7T476 S477 H482 Y483 K484 L523 R526 L527T476-E480 WeakPolarHBondContact CG2-OE1 3.39Å; T476-E480 WeakPolarHBondContact O-CG 3.05Å; T476-E480 PolarHBondContact O-N 2.98Å; S477-E480 PolarHBondContact O-N 2.89Å; E480-H482 VanDerWaalsContact C-N 3.28Å; E480-H482 PolarHBondContact O-N 3.22Å; E480-Y483 PolarHBondContact O-N 2.98Å; E480-K484 WeakPolarHBondContact O-CG 3.31Å; E480-K484 PolarHBondContact O-N 3.35Å; E480-L523 HydrophobicContact CG-CD1 3.6Å; E480-R526 VanDerWaalsContact OE1-CD 3.22Å; E480-R526 WeakPolarHBondContact OE1-CD 3.49Å; E480-R526 IonicContact OE1-CZ 3.09Å; E480-R526 IonicContact OE1-NE 2.68Å; E480-R526 PolarHBondContact OE1-NE 2.92Å; E480-R526 IonicContact OE1-NH2 2.73Å; E480-R526 IonicContact OE2-CZ 3.57Å; E480-R526 IonicContact OE2-NE 3.06Å; E480-R526 PolarHBondContact OE2-NE 3.47Å; E480-R526 IonicContact OE2-NH2 2.77Å; E480-R526 PolarHBondContact OE2-NH2 2.67Å; E480-L527 HydrophobicContact CG-CD2 4.2Å
481N87.6Confident79.9Confident89 Ų8962.2 Ų62.248%0.47632%0.322SS..Hα-helixtrans-62.6-40176.3-72.5-18.7000110.8S477 A478 Y483 K484 Q485S477-N481 WeakPolarHBondContact O-CB 3.42Å; S477-N481 VanDerWaalsContact O-CG 3.24Å; S477-N481 PolarHBondContact O-N 3.27Å; S477-N481 PolarHBondContact O-ND2 3.26Å; A478-N481 PolarHBondContact O-N 3.43Å; N481-Y483 VanDerWaalsContact C-N 3.35Å; N481-Y483 PolarHBondContact O-N 2.99Å; N481-K484 PolarHBondContact O-N 3.45Å; N481-Q485 VanDerWaalsContact O-CG 3.27Å; N481-Q485 WeakPolarHBondContact O-CG 3.23Å; N481-Q485 PolarHBondContact O-N 2.99Å
482H90.1Very high79.8Confident53 Ų5361.9 Ų61.925%0.24533%0.33CS..Hα-helixtrans-62.3-39.5174.3-175.376.8000112.9A478 A479 E480 S502 V506A478-H482 WeakPolarHBondContact O-CB 3.25Å; A478-H482 PolarHBondContact O-N 3.34Å; A479-H482 PolarHBondContact O-N 2.93Å; E480-H482 VanDerWaalsContact C-N 3.28Å; E480-H482 PolarHBondContact O-N 3.22Å; H482-S502 PolarHBondContact NE2-OG 3.42Å; H482-V506 HydrophobicContact CB-CG2 4.19Å
483Y87.1Confident79.6Confident0 Ų063.8 Ų63.80%035%0.346CS..Hα-helixtrans-64.2-41.8173177.8-91.8000111.6A479 E480 N481 Q485 L487 Y491 H496 K499 V500 L527 L530A479-Y483 PolarHBondContact O-N 3.41Å; E480-Y483 PolarHBondContact O-N 2.98Å; N481-Y483 VanDerWaalsContact C-N 3.35Å; N481-Y483 PolarHBondContact O-N 2.99Å; Y483-Q485 VanDerWaalsContact C-N 3.31Å; Y483-Q485 PolarHBondContact O-N 3.46Å; Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 4Å; Y483-L487 HydrophobicContact CE1-CD2 4.38Å; Y483-L487 WeakPolarHBondContact O-CD1 3.24Å; Y483-L487 VanDerWaalsContact O-CD2 3.25Å; Y483-L487 WeakPolarHBondContact O-CD2 3.38Å; Y483-L487 WeakPolarHBondContact O-CG 3.37Å; Y483-Y491 PolarHBondContact OH-OH 3.3Å; Y483-H496 AromaticContact CE2-ND1 3.58Å; Y483-H496 AromaticContact CZ-CE1 3.99Å; Y483-H496 AromaticContact CZ-ND1 3.58Å; Y483-H496 PolarHBondContact OH-CE1 3.31Å; Y483-H496 PolarHBondContact OH-ND1 3.48Å; Y483-K499 HydrophobicContact CD2-CB 3.78Å; Y483-K499 HydrophobicContact CE2-CB 3.81Å; Y483-V500 HydrophobicContact CD2-CG2 4.38Å; Y483-V500 HydrophobicContact CE2-CG2 3.99Å; Y483-L527 HydrophobicContact CD1-CD2 3.65Å; Y483-L527 HydrophobicContact CD2-CB 4.44Å; Y483-L527 HydrophobicContact CD2-CD1 3.86Å; Y483-L527 HydrophobicContact CD2-CD2 4.07Å; Y483-L527 HydrophobicContact CD2-CG 4.33Å; Y483-L527 HydrophobicContact CE1-CD2 4.34Å; Y483-L527 HydrophobicContact CE2-CB 4.41Å; Y483-L527 HydrophobicContact CE2-CD1 4.5Å; Y483-L527 HydrophobicContact CG-CD1 4.08Å; Y483-L527 HydrophobicContact CG-CD2 3.48Å; Y483-L527 VanDerWaalsContact CG-CD2 3.48Å; Y483-L527 HydrophobicContact CG-CG 4.23Å; Y483-L530 HydrophobicContact CD1-CD1 4.11Å; Y483-L530 HydrophobicContact CE1-CB 4.02Å; Y483-L530 HydrophobicContact CE1-CD1 4.24Å
484K84.3Confident79.7Confident102 Ų10262.9 Ų62.944%0.44335%0.353SS..Hα-helixtrans-70.3-23.1-179.1-71.4175.4-177.5179.20113.9E480 N481 D486 L530E480-K484 WeakPolarHBondContact O-CG 3.31Å; E480-K484 PolarHBondContact O-N 3.35Å; N481-K484 PolarHBondContact O-N 3.45Å; K484-D486 PolarHBondContact O-N 3.15Å; K484-L530 HydrophobicContact CG-CD1 4.2Å
485Q84.3Confident79.5Confident105 Ų10562.5 Ų62.549%0.49134%0.341SS..THydrogen-bonded Turntrans-66.1130179.9-81.3167.54.500111.9N481 Y483 L487 K499N481-Q485 VanDerWaalsContact O-CG 3.27Å; N481-Q485 WeakPolarHBondContact O-CG 3.23Å; N481-Q485 PolarHBondContact O-N 2.99Å; Y483-Q485 VanDerWaalsContact C-N 3.31Å; Y483-Q485 PolarHBondContact O-N 3.46Å; Q485-L487 PolarHBondContact O-N 3.29Å; Q485-K499 PolarHBondContact O-NZ 3.37Å
486D79.7Confident79.3Confident146 Ų14663.1 Ų63.178%0.78134%0.344SS*.THydrogen-bonded Turntrans50.240.6174.9-53.5-43.4000113.6K484 P488K484-D486 PolarHBondContact O-N 3.15Å; D486-P488 VanDerWaalsContact O-CD 3.28Å; D486-P488 WeakPolarHBondContact O-CD 3.3Å
487L74.4Confident79.2Confident57 Ų5766.7 Ų66.730%0.29836%0.361SS..  trans-72.5121.4172.9-74.3170.2000109.5Y483 Q485 Y491Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 4Å; Y483-L487 HydrophobicContact CE1-CD2 4.38Å; Y483-L487 WeakPolarHBondContact O-CD1 3.24Å; Y483-L487 VanDerWaalsContact O-CD2 3.25Å; Y483-L487 WeakPolarHBondContact O-CD2 3.38Å; Y483-L487 WeakPolarHBondContact O-CG 3.37Å; Q485-L487 PolarHBondContact O-N 3.29Å; L487-Y491 HydrophobicContact CB-CE1 4.18Å; L487-Y491 HydrophobicContact CD2-CD1 4.31Å; L487-Y491 HydrophobicContact CD2-CE1 3.54Å; L487-Y491 HydrophobicContact CG-CE1 4.35Å
488P69.9Low79.1Confident54 Ų5468.4 Ų68.435%0.35137%0.365SS..  trans-57.9149169.2-23.133.5000111D486 H490 Y491 Y495 R535D486-P488 VanDerWaalsContact O-CD 3.28Å; D486-P488 WeakPolarHBondContact O-CD 3.3Å; P488-H490 WeakPolarHBondContact CB-O 3.36Å; P488-H490 PolarHBondContact O-N 3.43Å; P488-Y491 HydrophobicContact CB-CD1 4.28Å; P488-Y491 HydrophobicContact CG-CD1 4.36Å; P488-Y491 WeakPolarHBondContact O-CD1 3.2Å; P488-Y495 HydrophobicContact CG-CE1 4.27Å; P488-R535 PolarHBondContact O-NH2 3.12Å
489V63.7Low79Confident121 Ų12168.2 Ų68.273%0.73336%0.357SS*.SBendtrans-52.5-42.4173.1-173.70000110.1R535V489-R535 PolarHBondContact O-NH2 3.17Å
490H56.7Low78.8Confident144 Ų14469 Ų6967%0.66736%0.362SS*.SBendtrans-128.3131.5173.7-53-61.2000111.5P488 R535P488-H490 WeakPolarHBondContact CB-O 3.36Å; P488-H490 PolarHBondContact O-N 3.43Å; H490-R535 VanDerWaalsContact CA-NH2 3.26Å
491Y67.8Low78.8Confident32 Ų3272.9 Ų72.913%0.12538%0.382CS..  trans-148.7158.217661.6-100.3000111.2Y483 L487 P488 Y495 H496 Y531 R535Y483-Y491 PolarHBondContact OH-OH 3.3Å; L487-Y491 HydrophobicContact CB-CE1 4.18Å; L487-Y491 HydrophobicContact CD2-CD1 4.31Å; L487-Y491 HydrophobicContact CD2-CE1 3.54Å; L487-Y491 HydrophobicContact CG-CE1 4.35Å; P488-Y491 HydrophobicContact CB-CD1 4.28Å; P488-Y491 HydrophobicContact CG-CD1 4.36Å; P488-Y491 WeakPolarHBondContact O-CD1 3.2Å; Y491-Y495 HydrophobicContact CD1-CD1 4.04Å; Y491-Y495 HydrophobicContact CD1-CE1 4.18Å; Y491-Y495 AromaticContact CD2-CD1 3.36Å; Y491-Y495 HydrophobicContact CD2-CD1 3.36Å; Y491-Y495 HydrophobicContact CD2-CE1 4.26Å; Y491-Y495 HydrophobicContact CD2-CG 4.06Å; Y491-Y495 HydrophobicContact CE2-CD1 4.08Å; Y491-Y495 AromaticContact CG-CD1 3.36Å; Y491-Y495 HydrophobicContact CG-CD1 3.36Å; Y491-Y495 AromaticContact CG-CE1 3.95Å; Y491-Y495 HydrophobicContact CG-CE1 3.95Å; Y491-Y495 HydrophobicContact CG-CG 4.07Å; Y491-H496 HydrophobicContact CD2-CB 4.34Å; Y491-H496 HydrophobicContact CE2-CB 3.81Å; Y491-Y531 AromaticContact CE2-CD2 3.9Å; Y491-Y531 HydrophobicContact CE2-CD2 3.9Å; Y491-Y531 HydrophobicContact CE2-CE2 4.13Å; Y491-R535 VanDerWaalsContact CD1-CZ 3.48Å; Y491-R535 VanDerWaalsContact CD1-NH1 3.25Å; Y491-R535 PolarHBondContact O-NH1 3.39Å
492S73.4Confident78.8Confident58 Ų5870.7 Ų70.741%0.40637%0.374SS..  trans-78.9165.3-175.564.70000113.4T494 Y495 H496S492-T494 PolarHBondContact O-N 2.86Å; S492-Y495 PolarHBondContact O-N 3.43Å; S492-Y495 VanDerWaalsContact O-N 3.08Å; S492-Y495 PolarHBondContact OG-N 2.9Å; S492-Y495 VanDerWaalsContact OG-N 3.16Å; S492-H496 PolarHBondContact O-N 2.89Å
493C70.4Confident78.8Confident66 Ų6668.2 Ų68.245%0.44636%0.362SS..Hα-helixtrans-56-36.6169.3-174.10000111.5Y495 H496 I497C493-Y495 PolarHBondContact O-N 3.25Å; C493-H496 WeakPolarHBondContact O-CB 3.02Å; C493-H496 PolarHBondContact O-N 3.31Å; C493-I497 WeakPolarHBondContact O-CG1 3.44Å; C493-I497 PolarHBondContact O-N 3.17Å
494T78.2Confident79Confident85 Ų8571 Ų7152%0.52137%0.373SS..Hα-helixtrans-61-45.2174.3-46.60000111.7S492 H496 I497 I498S492-T494 PolarHBondContact O-N 2.86Å; T494-H496 PolarHBondContact O-N 3.45Å; T494-I497 PolarHBondContact O-N 2.62Å; T494-I498 HydrophobicContact CG2-CD1 4.21Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.1Å; T494-I498 PolarHBondContact O-N 2.83Å
495Y78.7Confident79.2Confident75 Ų7571.5 Ų71.529%0.29438%0.381SS..Hα-helixtrans-65-38.8176.3-173-82.1000112P488 Y491 S492 C493 I498 K499P488-Y495 HydrophobicContact CG-CE1 4.27Å; Y491-Y495 HydrophobicContact CD1-CD1 4.04Å; Y491-Y495 HydrophobicContact CD1-CE1 4.18Å; Y491-Y495 AromaticContact CD2-CD1 3.36Å; Y491-Y495 HydrophobicContact CD2-CD1 3.36Å; Y491-Y495 HydrophobicContact CD2-CE1 4.26Å; Y491-Y495 HydrophobicContact CD2-CG 4.06Å; Y491-Y495 HydrophobicContact CE2-CD1 4.08Å; Y491-Y495 AromaticContact CG-CD1 3.36Å; Y491-Y495 HydrophobicContact CG-CD1 3.36Å; Y491-Y495 AromaticContact CG-CE1 3.95Å; Y491-Y495 HydrophobicContact CG-CE1 3.95Å; Y491-Y495 HydrophobicContact CG-CG 4.07Å; S492-Y495 PolarHBondContact O-N 3.43Å; S492-Y495 VanDerWaalsContact O-N 3.08Å; S492-Y495 PolarHBondContact OG-N 2.9Å; S492-Y495 VanDerWaalsContact OG-N 3.16Å; C493-Y495 PolarHBondContact O-N 3.25Å; Y495-I498 PolarHBondContact O-N 3.5Å; Y495-K499 HydrophobicContact CD1-CG 3.94Å; Y495-K499 HydrophobicContact CE1-CD 4.29Å; Y495-K499 HydrophobicContact CE1-CG 3.53Å; Y495-K499 PolarHBondContact O-N 3.34Å; Y495-K499 WeakPolarHBondContact OH-CE 3.25Å
496H81.6Confident79.4Confident14 Ų1468.4 Ų68.47%0.06537%0.369CS..Hα-helixtrans-55-53.6171.9172.659.1000111Y483 Y491 S492 C493 T494 I498 K499 V500 Y531Y483-H496 AromaticContact CE2-ND1 3.58Å; Y483-H496 AromaticContact CZ-CE1 3.99Å; Y483-H496 AromaticContact CZ-ND1 3.58Å; Y483-H496 PolarHBondContact OH-CE1 3.31Å; Y483-H496 PolarHBondContact OH-ND1 3.48Å; Y491-H496 HydrophobicContact CD2-CB 4.34Å; Y491-H496 HydrophobicContact CE2-CB 3.81Å; S492-H496 PolarHBondContact O-N 2.89Å; C493-H496 WeakPolarHBondContact O-CB 3.02Å; C493-H496 PolarHBondContact O-N 3.31Å; T494-H496 PolarHBondContact O-N 3.45Å; H496-I498 VanDerWaalsContact C-N 3.3Å; H496-I498 PolarHBondContact O-N 3.42Å; H496-K499 CarbonylContact O-C 3.57Å; H496-K499 PolarHBondContact O-N 3.23Å; H496-K499 VanDerWaalsContact O-N 3.12Å; H496-V500 WeakPolarHBondContact CE1-CG2 3.32Å; H496-V500 WeakPolarHBondContact O-CG2 3.25Å; H496-V500 PolarHBondContact O-N 3.03Å; H496-Y531 HydrophobicContact CB-CD2 3.79Å; H496-Y531 HydrophobicContact CB-CE2 3.83Å; H496-Y531 HydrophobicContact CB-CG 4.36Å; H496-Y531 AromaticContact CG-CD2 3.74Å; H496-Y531 AromaticContact CG-CG 3.82Å; H496-Y531 AromaticContact ND1-CD2 3.89Å; H496-Y531 AromaticContact ND1-CG 3.81Å
497I82.1Confident79.7Confident86 Ų8661.5 Ų61.544%0.44133%0.332SS..Hα-helixtrans-59.3-43-178.8-67.3166000110.5C493 T494 K499 V500 I501C493-I497 WeakPolarHBondContact O-CG1 3.44Å; C493-I497 PolarHBondContact O-N 3.17Å; T494-I497 PolarHBondContact O-N 2.62Å; I497-K499 PolarHBondContact O-N 3.34Å; I497-V500 PolarHBondContact O-N 3.05Å; I497-I501 HydrophobicContact CG2-CD1 3.9Å; I497-I501 HydrophobicContact CG2-CG1 4.48Å; I497-I501 VanDerWaalsContact O-CG1 3.29Å; I497-I501 WeakPolarHBondContact O-CG1 3.46Å; I497-I501 PolarHBondContact O-N 3.19Å
498I84Confident80.1Confident103 Ų10362.6 Ų62.653%0.52834%0.341SS..Hα-helixtrans-60.5-45.3176-67.8165.8000111.2T494 Y495 H496 I501 S502T494-I498 HydrophobicContact CG2-CD1 4.21Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.1Å; T494-I498 PolarHBondContact O-N 2.83Å; Y495-I498 PolarHBondContact O-N 3.5Å; H496-I498 VanDerWaalsContact C-N 3.3Å; H496-I498 PolarHBondContact O-N 3.42Å; I498-I501 PolarHBondContact O-N 3.36Å; I498-S502 WeakPolarHBondContact O-CB 3.31Å; I498-S502 PolarHBondContact O-N 2.85Å
499K85.8Confident80.5Confident31 Ų3162.8 Ų62.814%0.13535%0.353CS..Hα-helixtrans-65.7-36.9176.3-82.3-79.7-172.7165.10112.4Y483 Q485 Y495 H496 I497 S502 A503Y483-K499 HydrophobicContact CD2-CB 3.78Å; Y483-K499 HydrophobicContact CE2-CB 3.81Å; Q485-K499 PolarHBondContact O-NZ 3.37Å; Y495-K499 HydrophobicContact CD1-CG 3.94Å; Y495-K499 HydrophobicContact CE1-CD 4.29Å; Y495-K499 HydrophobicContact CE1-CG 3.53Å; Y495-K499 PolarHBondContact O-N 3.34Å; Y495-K499 WeakPolarHBondContact OH-CE 3.25Å; H496-K499 CarbonylContact O-C 3.57Å; H496-K499 PolarHBondContact O-N 3.23Å; H496-K499 VanDerWaalsContact O-N 3.12Å; I497-K499 PolarHBondContact O-N 3.34Å; K499-S502 WeakPolarHBondContact O-CB 3.45Å; K499-S502 PolarHBondContact O-N 2.95Å; K499-A503 WeakPolarHBondContact O-CB 3.45Å; K499-A503 PolarHBondContact O-N 2.84Å
500V87.1Confident81.3Confident17 Ų1761.3 Ų61.310%0.10334%0.341CS..Hα-helixtrans-63-46.8173.7170.70000110.5Y483 H496 I497 S502 A503 Y504 L527Y483-V500 HydrophobicContact CD2-CG2 4.38Å; Y483-V500 HydrophobicContact CE2-CG2 3.99Å; H496-V500 WeakPolarHBondContact CE1-CG2 3.32Å; H496-V500 WeakPolarHBondContact O-CG2 3.25Å; H496-V500 PolarHBondContact O-N 3.03Å; I497-V500 PolarHBondContact O-N 3.05Å; V500-S502 VanDerWaalsContact C-N 3.29Å; V500-S502 PolarHBondContact O-N 3.39Å; V500-A503 PolarHBondContact O-N 3.4Å; V500-Y504 HydrophobicContact CG1-CD1 4.06Å; V500-Y504 HydrophobicContact CG1-CE1 3.72Å; V500-Y504 HydrophobicContact CG1-CE2 4.33Å; V500-Y504 WeakPolarHBondContact O-CD1 3.39Å; V500-Y504 PolarHBondContact O-N 2.98Å; V500-L527 HydrophobicContact CB-CD1 4.4Å; V500-L527 HydrophobicContact CG1-CD1 4.36Å; V500-L527 HydrophobicContact CG2-CB 4.21Å; V500-L527 HydrophobicContact CG2-CD1 3.99Å
501I88.2Confident82.2Confident92 Ų9254.6 Ų54.647%0.47231%0.31SS..Hα-helixtrans-59.1-43.6175.4-68165.4000110.3I497 I498 A503 Y504 N505I497-I501 HydrophobicContact CG2-CD1 3.9Å; I497-I501 HydrophobicContact CG2-CG1 4.48Å; I497-I501 VanDerWaalsContact O-CG1 3.29Å; I497-I501 WeakPolarHBondContact O-CG1 3.46Å; I497-I501 PolarHBondContact O-N 3.19Å; I498-I501 PolarHBondContact O-N 3.36Å; I501-A503 PolarHBondContact O-N 2.98Å; I501-Y504 WeakPolarHBondContact O-CB 3.43Å; I501-Y504 PolarHBondContact O-N 3.14Å; I501-N505 VanDerWaalsContact O-CG 3.3Å; I501-N505 PolarHBondContact O-N 3.3Å; I501-N505 PolarHBondContact O-ND2 3.24Å
502S88Confident82.3Confident44 Ų4460.1 Ų60.131%0.30833%0.331SS..Hα-helixtrans-60.9-44.2176.1-166.70000112.4H482 I498 K499 V500 N505 V506H482-S502 PolarHBondContact NE2-OG 3.42Å; I498-S502 WeakPolarHBondContact O-CB 3.31Å; I498-S502 PolarHBondContact O-N 2.85Å; K499-S502 WeakPolarHBondContact O-CB 3.45Å; K499-S502 PolarHBondContact O-N 2.95Å; V500-S502 VanDerWaalsContact C-N 3.29Å; V500-S502 PolarHBondContact O-N 3.39Å; S502-N505 WeakPolarHBondContact O-CB 3.16Å; S502-N505 PolarHBondContact O-N 3.49Å; S502-V506 PolarHBondContact O-N 3.25Å
503A89.7Confident82Confident0 Ų059.2 Ų59.20%033%0.33CS..Hα-helixtrans-65.2-37.4175.100000112.5A479 K499 V500 I501 N505 V506 A507 L527A479-A503 HydrophobicContact CB-CB 4.46Å; A479-A503 WeakPolarHBondContact CB-O 3.44Å; A479-A503 WeakPolarHBondContact O-CB 3.29Å; K499-A503 WeakPolarHBondContact O-CB 3.45Å; K499-A503 PolarHBondContact O-N 2.84Å; V500-A503 PolarHBondContact O-N 3.4Å; I501-A503 PolarHBondContact O-N 2.98Å; A503-N505 VanDerWaalsContact C-N 3.31Å; A503-N505 PolarHBondContact O-N 2.95Å; A503-V506 PolarHBondContact O-N 3.23Å; A503-A507 PolarHBondContact O-N 3.28Å; A503-L527 HydrophobicContact CB-CD1 3.82Å
504Y91.1Very high81.8Confident60 Ų6062.7 Ų62.724%0.23534%0.34CS..Hα-helixtrans-62.7-39.5174.3-80.617.1000111.5V500 I501 V506 A507 V508 L520 L523 S524V500-Y504 HydrophobicContact CG1-CD1 4.06Å; V500-Y504 HydrophobicContact CG1-CE1 3.72Å; V500-Y504 HydrophobicContact CG1-CE2 4.33Å; V500-Y504 WeakPolarHBondContact O-CD1 3.39Å; V500-Y504 PolarHBondContact O-N 2.98Å; I501-Y504 WeakPolarHBondContact O-CB 3.43Å; I501-Y504 PolarHBondContact O-N 3.14Å; Y504-V506 VanDerWaalsContact C-N 3.32Å; Y504-V506 PolarHBondContact O-N 3.45Å; Y504-A507 WeakPolarHBondContact O-CB 3.18Å; Y504-A507 PolarHBondContact O-N 2.82Å; Y504-V508 WeakPolarHBondContact O-CB 3.43Å; Y504-V508 WeakPolarHBondContact O-CG2 2.92Å; Y504-V508 PolarHBondContact O-N 3.39Å; Y504-L520 HydrophobicContact CD1-CD2 4.01Å; Y504-L520 HydrophobicContact CD2-CD2 4.03Å; Y504-L520 HydrophobicContact CE1-CD2 4.37Å; Y504-L520 HydrophobicContact CE2-CD2 4.4Å; Y504-L520 HydrophobicContact CG-CD2 3.82Å; Y504-L520 PolarHBondContact OH-O 3.26Å; Y504-L523 HydrophobicContact CD1-CD2 3.61Å; Y504-L523 HydrophobicContact CD1-CG 4.28Å; Y504-L523 HydrophobicContact CE1-CB 4.38Å; Y504-L523 HydrophobicContact CE1-CD2 3.85Å; Y504-L523 HydrophobicContact CE1-CG 4.03Å; Y504-S524 WeakPolarHBondContact OH-CA 3.33Å; Y504-S524 WeakPolarHBondContact OH-CB 3.31Å; Y504-S524 PolarHBondContact OH-OG 3.14Å
505N88.3Confident81.5Confident111 Ų11159.3 Ų59.359%0.59432%0.319SS*.Hα-helixtrans-63-39.5176-68.3-24.4000111.7I501 S502 A503 G509I501-N505 VanDerWaalsContact O-CG 3.3Å; I501-N505 PolarHBondContact O-N 3.3Å; I501-N505 PolarHBondContact O-ND2 3.24Å; S502-N505 WeakPolarHBondContact O-CB 3.16Å; S502-N505 PolarHBondContact O-N 3.49Å; A503-N505 VanDerWaalsContact C-N 3.31Å; A503-N505 PolarHBondContact O-N 2.95Å; N505-G509 PolarHBondContact O-N 3.19Å
506V88.7Confident81.3Confident41 Ų4156.7 Ų56.725%0.24831%0.312CS..Hα-helixtrans-62.9-47173175.10000111A478 A479 H482 S502 A503 Y504 G509 L510A478-V506 HydrophobicContact CB-CG1 4.31Å; A479-V506 HydrophobicContact CB-CG1 4.49Å; H482-V506 HydrophobicContact CB-CG2 4.19Å; S502-V506 PolarHBondContact O-N 3.25Å; A503-V506 PolarHBondContact O-N 3.23Å; Y504-V506 VanDerWaalsContact C-N 3.32Å; Y504-V506 PolarHBondContact O-N 3.45Å; V506-G509 PolarHBondContact O-N 2.81Å; V506-L510 HydrophobicContact CG1-CD1 4.04Å; V506-L510 WeakPolarHBondContact O-CG 3.37Å; V506-L510 PolarHBondContact O-N 3.47Å
507A85.9Confident81.1Confident0 Ų063.8 Ų63.80%034%0.342CS..Hα-helixtrans-58.4-49.2177.800000112.6A479 A503 Y504 G509 L510 A511 L519 L520 L523A479-A507 HydrophobicContact CB-CB 3.88Å; A503-A507 PolarHBondContact O-N 3.28Å; Y504-A507 WeakPolarHBondContact O-CB 3.18Å; Y504-A507 PolarHBondContact O-N 2.82Å; A507-G509 VanDerWaalsContact C-N 3.31Å; A507-G509 PolarHBondContact O-N 3.45Å; A507-L510 PolarHBondContact O-N 3.25Å; A507-A511 VanDerWaalsContact O-CB 3.25Å; A507-A511 WeakPolarHBondContact O-CB 3.22Å; A507-A511 PolarHBondContact O-N 3.39Å; A507-L519 HydrophobicContact CB-CD2 3.49Å; A507-L519 VanDerWaalsContact CB-CD2 3.49Å; A507-L520 HydrophobicContact CB-CD2 4.34Å; A507-L523 HydrophobicContact CB-CD2 3.93Å
508V82.2Confident80.9Confident80 Ų8065.4 Ų65.449%0.48534%0.343SS..Hα-helixtrans-69.3-29.1179.6174.40000111.8Y504 L510 V516 L520Y504-V508 WeakPolarHBondContact O-CB 3.43Å; Y504-V508 WeakPolarHBondContact O-CG2 2.92Å; Y504-V508 PolarHBondContact O-N 3.39Å; V508-L510 VanDerWaalsContact C-N 3.33Å; V508-V516 HydrophobicContact CG2-CG1 4.49Å; V508-L520 HydrophobicContact CG2-CD1 4.32Å; V508-L520 HydrophobicContact CG2-CD2 4.14Å
509G78.7Confident80.8Confident59 Ų5960.5 Ų60.561%0.60832%0.318SS*.Hα-helixtrans-66.7-31.9173.700000113.7N505 V506 A507N505-G509 PolarHBondContact O-N 3.19Å; V506-G509 PolarHBondContact O-N 2.81Å; A507-G509 VanDerWaalsContact C-N 3.31Å; A507-G509 PolarHBondContact O-N 3.45Å
510L79.9Confident80.6Confident90 Ų9060.8 Ų60.847%0.47132%0.321SS..Hα-helixtrans-99.1-36.5-175.9-64.2173.9000113.4A475 A478 V506 A507 V508A475-L510 HydrophobicContact CB-CB 3.7Å; A478-L510 HydrophobicContact CB-CD1 3.61Å; V506-L510 HydrophobicContact CG1-CD1 4.04Å; V506-L510 WeakPolarHBondContact O-CG 3.37Å; V506-L510 PolarHBondContact O-N 3.47Å; A507-L510 PolarHBondContact O-N 3.25Å; V508-L510 VanDerWaalsContact C-N 3.33Å
511A76.5Confident80.3Confident3 Ų366.1 Ų66.13%0.02534%0.344CS..  trans-89.3142-177.200000111.7A475 A507 V516 L519A475-A511 HydrophobicContact CB-CB 3.86Å; A507-A511 VanDerWaalsContact O-CB 3.25Å; A507-A511 WeakPolarHBondContact O-CB 3.22Å; A507-A511 PolarHBondContact O-N 3.39Å; A511-V516 HydrophobicContact CB-CG2 3.79Å; A511-L519 HydrophobicContact CB-CD1 4Å
512R70.2Confident79.9Confident148 Ų14866.2 Ų66.256%0.55834%0.342SS*.  trans-139.3143.8172-64.8-162.7-177.3175.22.7110.6S468S468-R512 WeakPolarHBondContact CA-O 3.27Å; S468-R512 WeakPolarHBondContact CB-O 3.43Å
513G65.8Low79.8Confident39 Ų3964.1 Ų64.140%0.40233%0.327SS..SBendtrans105-171.2175.900000114.2S515 V516G513-S515 PolarHBondContact O-N 3.41Å; G513-V516 WeakPolarHBondContact O-CB 3.48Å; G513-V516 WeakPolarHBondContact O-CG2 3.41Å; G513-V516 PolarHBondContact O-N 3.46Å
514H68.1Low79.4Confident138 Ų13866 Ų6664%0.63934%0.34SS*.THydrogen-bonded Turntrans-63.5-26.3-173.7-63.997.8000113.7V516H514-V516 PolarHBondContact O-N 2.79Å
515S70.2Confident78.7Confident14 Ų1465.9 Ų65.910%0.09834%0.343CS..Hα-helixtrans-67.7-14.6177.9670000114S468 G513 F517 R518 L519S468-S515 VanDerWaalsContact C-OG 3.28Å; S468-S515 VanDerWaalsContact CB-OG 3.31Å; S468-S515 WeakPolarHBondContact CB-OG 3.38Å; S468-S515 PolarHBondContact O-OG 3.24Å; S468-S515 PolarHBondContact OG-OG 3.41Å; G513-S515 PolarHBondContact O-N 3.41Å; S515-F517 VanDerWaalsContact C-N 3.34Å; S515-F517 PolarHBondContact O-N 3.01Å; S515-R518 PolarHBondContact O-N 3.08Å; S515-L519 WeakPolarHBondContact O-CB 3.35Å; S515-L519 PolarHBondContact O-N 3.27Å
516V75.6Confident78.3Confident21 Ų2164 Ų6413%0.12733%0.328CS..Hα-helixtrans-61.2-40.5-178.3175.50000111.6V508 A511 G513 H514 L519 L520V508-V516 HydrophobicContact CG2-CG1 4.49Å; A511-V516 HydrophobicContact CB-CG2 3.79Å; G513-V516 WeakPolarHBondContact O-CB 3.48Å; G513-V516 WeakPolarHBondContact O-CG2 3.41Å; G513-V516 PolarHBondContact O-N 3.46Å; H514-V516 PolarHBondContact O-N 2.79Å; V516-L519 VanDerWaalsContact O-CB 3.31Å; V516-L519 WeakPolarHBondContact O-CB 3.3Å; V516-L519 PolarHBondContact O-N 3.36Å; V516-L519 VanDerWaalsContact O-N 3.16Å; V516-L520 HydrophobicContact CG1-CD1 4.31Å; V516-L520 HydrophobicContact CG1-CG 4.46Å; V516-L520 WeakPolarHBondContact O-CG 3.39Å; V516-L520 PolarHBondContact O-N 3.49Å
517F77Confident78.1Confident162 Ų16262.1 Ų62.171%0.71132%0.316SS*.Hα-helixtrans-64.1-46.3178.8-63.7-73.9000111.8S515 L519 L520 E521S515-F517 VanDerWaalsContact C-N 3.34Å; S515-F517 PolarHBondContact O-N 3.01Å; F517-L519 PolarHBondContact O-N 3.14Å; F517-L520 PolarHBondContact O-N 3.29Å; F517-E521 PolarHBondContact O-N 3.23Å; F517-E521 VanDerWaalsContact O-N 3.08Å
518R77.1Confident77.6Confident120 Ų12063 Ų6345%0.45332%0.321SS..Hα-helixtrans-62.3-30.6174.8-171.4173.4-177.4171.6-1.6111.8S515 K522S515-R518 PolarHBondContact O-N 3.08Å; R518-K522 WeakPolarHBondContact O-CB 3.35Å; R518-K522 PolarHBondContact O-N 3.27Å; R518-K522 VanDerWaalsContact O-N 3.14Å
519L81.8Confident76.9Confident0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-68-50.9175.5-173.1149.6000111.2Y472 A475 T476 A507 A511 S515 V516 F517 E521 K522 L523Y472-L519 HydrophobicContact CD2-CB 3.61Å; Y472-L519 HydrophobicContact CD2-CD1 3.73Å; Y472-L519 HydrophobicContact CD2-CG 4.03Å; Y472-L519 HydrophobicContact CE2-CB 3.48Å; Y472-L519 VanDerWaalsContact CE2-CB 3.48Å; Y472-L519 HydrophobicContact CE2-CD1 4.18Å; Y472-L519 HydrophobicContact CE2-CG 3.99Å; Y472-L519 HydrophobicContact CG-CD1 4.15Å; Y472-L519 WeakPolarHBondContact O-CD1 3.4Å; A475-L519 HydrophobicContact CB-CD1 3.84Å; T476-L519 VanDerWaalsContact OG1-CD1 3.24Å; T476-L519 WeakPolarHBondContact OG1-CD1 3.48Å; T476-L519 WeakPolarHBondContact OG1-CG 3.49Å; A507-L519 HydrophobicContact CB-CD2 3.49Å; A507-L519 VanDerWaalsContact CB-CD2 3.49Å; A511-L519 HydrophobicContact CB-CD1 4Å; S515-L519 WeakPolarHBondContact O-CB 3.35Å; S515-L519 PolarHBondContact O-N 3.27Å; V516-L519 VanDerWaalsContact O-CB 3.31Å; V516-L519 WeakPolarHBondContact O-CB 3.3Å; V516-L519 PolarHBondContact O-N 3.36Å; V516-L519 VanDerWaalsContact O-N 3.16Å; F517-L519 PolarHBondContact O-N 3.14Å; L519-E521 VanDerWaalsContact C-N 3.29Å; L519-E521 PolarHBondContact O-N 3.24Å; L519-K522 PolarHBondContact O-N 3.39Å; L519-L523 HydrophobicContact CD2-CD2 4.44Å; L519-L523 VanDerWaalsContact O-CB 3.23Å; L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 PolarHBondContact O-N 3.45Å
520L83.6Confident76.7Confident38 Ų3860.3 Ų60.320%0.19929%0.29CS..Hα-helixtrans-61.4-39.8-179.2-67.9176.5000111.6Y504 A507 V508 V516 F517 S524Y504-L520 HydrophobicContact CD1-CD2 4.01Å; Y504-L520 HydrophobicContact CD2-CD2 4.03Å; Y504-L520 HydrophobicContact CE1-CD2 4.37Å; Y504-L520 HydrophobicContact CE2-CD2 4.4Å; Y504-L520 HydrophobicContact CG-CD2 3.82Å; Y504-L520 PolarHBondContact OH-O 3.26Å; A507-L520 HydrophobicContact CB-CD2 4.34Å; V508-L520 HydrophobicContact CG2-CD1 4.32Å; V508-L520 HydrophobicContact CG2-CD2 4.14Å; V516-L520 HydrophobicContact CG1-CD1 4.31Å; V516-L520 HydrophobicContact CG1-CG 4.46Å; V516-L520 WeakPolarHBondContact O-CG 3.39Å; V516-L520 PolarHBondContact O-N 3.49Å; F517-L520 PolarHBondContact O-N 3.29Å; L520-S524 WeakPolarHBondContact O-CB 3.28Å; L520-S524 PolarHBondContact O-N 3.14Å
521E80Confident76.4Confident128 Ų12857.9 Ų57.960%0.59828%0.275SS*.Hα-helixtrans-62.3-50174.7-174.6-179.2-170.800111.9F517 L519 L523 S524 N525F517-E521 PolarHBondContact O-N 3.23Å; F517-E521 VanDerWaalsContact O-N 3.08Å; L519-E521 VanDerWaalsContact C-N 3.29Å; L519-E521 PolarHBondContact O-N 3.24Å; E521-L523 VanDerWaalsContact C-N 3.34Å; E521-L523 PolarHBondContact O-N 3.46Å; E521-S524 VanDerWaalsContact O-CB 3.3Å; E521-S524 WeakPolarHBondContact O-CB 3.49Å; E521-S524 PolarHBondContact O-N 3.21Å; E521-N525 PolarHBondContact O-N 3.08Å; E521-N525 PolarHBondContact O-ND2 3.41Å
522K80.3Confident76Confident95 Ų9558.8 Ų58.841%0.41328%0.279SS..Hα-helixtrans-64.2-40.5179.4-165.4175.9-171.3171.10111.8Y472 R518 L519 N525 R526Y472-K522 WeakPolarHBondContact OH-CD 3.43Å; R518-K522 WeakPolarHBondContact O-CB 3.35Å; R518-K522 PolarHBondContact O-N 3.27Å; R518-K522 VanDerWaalsContact O-N 3.14Å; L519-K522 PolarHBondContact O-N 3.39Å; K522-N525 PolarHBondContact O-N 2.99Å; K522-R526 WeakPolarHBondContact O-CG 3.29Å; K522-R526 PolarHBondContact O-N 3.17Å; K522-R526 VanDerWaalsContact O-N 3.12Å
523L84.3Confident75.6Confident0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-62.6-46.4176.2-177.963.2000110.6A479 E480 Y504 A507 L519 E521 N525 R526 L527A479-L523 HydrophobicContact CB-CD1 4.04Å; A479-L523 HydrophobicContact CB-CD2 3.66Å; E480-L523 HydrophobicContact CG-CD1 3.6Å; Y504-L523 HydrophobicContact CD1-CD2 3.61Å; Y504-L523 HydrophobicContact CD1-CG 4.28Å; Y504-L523 HydrophobicContact CE1-CB 4.38Å; Y504-L523 HydrophobicContact CE1-CD2 3.85Å; Y504-L523 HydrophobicContact CE1-CG 4.03Å; A507-L523 HydrophobicContact CB-CD2 3.93Å; L519-L523 HydrophobicContact CD2-CD2 4.44Å; L519-L523 VanDerWaalsContact O-CB 3.23Å; L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 PolarHBondContact O-N 3.45Å; E521-L523 VanDerWaalsContact C-N 3.34Å; E521-L523 PolarHBondContact O-N 3.46Å; L523-N525 VanDerWaalsContact C-N 3.28Å; L523-N525 PolarHBondContact O-N 3.01Å; L523-R526 PolarHBondContact O-N 3.18Å; L523-R526 VanDerWaalsContact O-N 3.15Å; L523-L527 HydrophobicContact CD1-CD1 4.01Å; L523-L527 HydrophobicContact CD1-CD2 4.01Å; L523-L527 HydrophobicContact CD1-CG 3.85Å; L523-L527 HydrophobicContact CG-CD1 3.96Å; L523-L527 HydrophobicContact CG-CG 4.12Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 3.28Å
524S82.7Confident75.4Confident38 Ų3852.7 Ų52.727%0.26626%0.259SS..Hα-helixtrans-48.4-53174.7-166.10000111Y504 L520 E521 R526 T528Y504-S524 WeakPolarHBondContact OH-CA 3.33Å; Y504-S524 WeakPolarHBondContact OH-CB 3.31Å; Y504-S524 PolarHBondContact OH-OG 3.14Å; L520-S524 WeakPolarHBondContact O-CB 3.28Å; L520-S524 PolarHBondContact O-N 3.14Å; E521-S524 VanDerWaalsContact O-CB 3.3Å; E521-S524 WeakPolarHBondContact O-CB 3.49Å; E521-S524 PolarHBondContact O-N 3.21Å; S524-R526 VanDerWaalsContact C-N 3.34Å; S524-R526 PolarHBondContact O-N 3.19Å; S524-T528 WeakPolarHBondContact O-CB 3.33Å; S524-T528 PolarHBondContact O-N 2.85Å; S524-T528 PolarHBondContact O-OG1 2.85Å
525N75.5Confident75Confident58 Ų5848.5 Ų48.531%0.3124%0.238SC..Hα-helixtrans-63-40.4-176.2-68.5-17.1000111.9E521 K522 L523 T528 H529 Y625E521-N525 PolarHBondContact O-N 3.08Å; E521-N525 PolarHBondContact O-ND2 3.41Å; K522-N525 PolarHBondContact O-N 2.99Å; L523-N525 VanDerWaalsContact C-N 3.28Å; L523-N525 PolarHBondContact O-N 3.01Å; N525-T528 WeakPolarHBondContact O-CB 3.27Å; N525-H529 PolarHBondContact O-CD2 3Å; N525-H529 PolarHBondContact O-N 3.28Å; N525-Y625 HydrophobicContact CB-CE2 4.31Å
526R80.4Confident74.6Confident73 Ų7350.3 Ų50.328%0.27525%0.248SC..Hα-helixtrans-71.8-44.9180-70.2176.164100.5-8.4112.9E480 K522 L523 S524 T528 H529 L530E480-R526 VanDerWaalsContact OE1-CD 3.22Å; E480-R526 WeakPolarHBondContact OE1-CD 3.49Å; E480-R526 IonicContact OE1-CZ 3.09Å; E480-R526 IonicContact OE1-NE 2.68Å; E480-R526 PolarHBondContact OE1-NE 2.92Å; E480-R526 IonicContact OE1-NH2 2.73Å; E480-R526 IonicContact OE2-CZ 3.57Å; E480-R526 IonicContact OE2-NE 3.06Å; E480-R526 PolarHBondContact OE2-NE 3.47Å; E480-R526 IonicContact OE2-NH2 2.77Å; E480-R526 PolarHBondContact OE2-NH2 2.67Å; K522-R526 WeakPolarHBondContact O-CG 3.29Å; K522-R526 PolarHBondContact O-N 3.17Å; K522-R526 VanDerWaalsContact O-N 3.12Å; L523-R526 PolarHBondContact O-N 3.18Å; L523-R526 VanDerWaalsContact O-N 3.15Å; S524-R526 VanDerWaalsContact C-N 3.34Å; S524-R526 PolarHBondContact O-N 3.19Å; R526-T528 VanDerWaalsContact C-N 3.28Å; R526-T528 PolarHBondContact O-N 2.98Å; R526-H529 PolarHBondContact O-N 3.13Å; R526-L530 PolarHBondContact O-N 3.48Å
527L84.1Confident74.4Confident0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-65.7-36.6177.7-61.2-170.8000112E480 Y483 V500 A503 L523 H529 L530 Y531E480-L527 HydrophobicContact CG-CD2 4.2Å; Y483-L527 HydrophobicContact CD1-CD2 3.65Å; Y483-L527 HydrophobicContact CD2-CB 4.44Å; Y483-L527 HydrophobicContact CD2-CD1 3.86Å; Y483-L527 HydrophobicContact CD2-CD2 4.07Å; Y483-L527 HydrophobicContact CD2-CG 4.33Å; Y483-L527 HydrophobicContact CE1-CD2 4.34Å; Y483-L527 HydrophobicContact CE2-CB 4.41Å; Y483-L527 HydrophobicContact CE2-CD1 4.5Å; Y483-L527 HydrophobicContact CG-CD1 4.08Å; Y483-L527 HydrophobicContact CG-CD2 3.48Å; Y483-L527 VanDerWaalsContact CG-CD2 3.48Å; Y483-L527 HydrophobicContact CG-CG 4.23Å; V500-L527 HydrophobicContact CB-CD1 4.4Å; V500-L527 HydrophobicContact CG1-CD1 4.36Å; V500-L527 HydrophobicContact CG2-CB 4.21Å; V500-L527 HydrophobicContact CG2-CD1 3.99Å; A503-L527 HydrophobicContact CB-CD1 3.82Å; L523-L527 HydrophobicContact CD1-CD1 4.01Å; L523-L527 HydrophobicContact CD1-CD2 4.01Å; L523-L527 HydrophobicContact CD1-CG 3.85Å; L523-L527 HydrophobicContact CG-CD1 3.96Å; L523-L527 HydrophobicContact CG-CG 4.12Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 3.28Å; L527-H529 VanDerWaalsContact C-N 3.35Å; L527-L530 HydrophobicContact CD2-CD1 4.26Å; L527-L530 PolarHBondContact O-N 3.47Å; L527-Y531 PolarHBondContact O-N 3.41Å
528T75.6Confident74.4Confident18 Ų1846.6 Ų46.611%0.1124%0.239CC..Hα-helixtrans-58.8-44.4174.4-75.20000112.1S524 N525 R526 Y531 L532 W622S524-T528 WeakPolarHBondContact O-CB 3.33Å; S524-T528 PolarHBondContact O-N 2.85Å; S524-T528 PolarHBondContact O-OG1 2.85Å; N525-T528 WeakPolarHBondContact O-CB 3.27Å; R526-T528 VanDerWaalsContact C-N 3.28Å; R526-T528 PolarHBondContact O-N 2.98Å; T528-Y531 WeakPolarHBondContact O-CB 3.22Å; T528-Y531 PolarHBondContact O-N 3.16Å; T528-L532 PolarHBondContact O-N 3.22Å; T528-W622 HydrophobicContact CG2-CE3 4.05Å; T528-W622 HydrophobicContact CG2-CH2 3.21Å; T528-W622 HydrophobicContact CG2-CZ3 2.94Å
529H68Low74.3Confident13 Ų1343 Ų436%0.0623%0.231CC..Hα-helixtrans-63.1-45.8174.4-85.6-59.6000113.2N525 R526 L527 Y531 L532 A533 Y625 C629 H664N525-H529 PolarHBondContact O-CD2 3Å; N525-H529 PolarHBondContact O-N 3.28Å; R526-H529 PolarHBondContact O-N 3.13Å; L527-H529 VanDerWaalsContact C-N 3.35Å; H529-Y531 PolarHBondContact O-N 3.3Å; H529-L532 PolarHBondContact O-N 3.08Å; H529-L532 VanDerWaalsContact O-N 3.13Å; H529-A533 WeakPolarHBondContact O-CB 3.26Å; H529-A533 PolarHBondContact O-N 2.92Å; H529-Y625 AromaticContact CD2-CE1 3.51Å; H529-Y625 AromaticContact CD2-CZ 3.61Å; H529-Y625 PolarHBondContact CD2-OH 2.95Å; H529-Y625 AromaticContact CE1-CD1 3.9Å; H529-Y625 AromaticContact CE1-CE1 3.07Å; H529-Y625 WeakPolarHBondContact CE1-CE1 3.25Å; H529-Y625 AromaticContact CE1-CZ 3.68Å; H529-Y625 AromaticContact CG-CE1 3.84Å; H529-Y625 AromaticContact ND1-CE1 3.59Å; H529-Y625 AromaticContact NE2-CE1 2.99Å; H529-Y625 WeakPolarHBondContact NE2-CE1 3.37Å; H529-Y625 AromaticContact NE2-CZ 3.09Å; H529-Y625 PolarHBondContact NE2-OH 3.27Å; H529-C629 PolarHBondContact CE1-SG 3.45Å; H529-H664 AromaticContact CD2-CD2 3.36Å; H529-H664 PolarHBondContact CD2-CD2 3.15Å; H529-H664 AromaticContact CD2-CE1 3.94Å; H529-H664 AromaticContact CD2-CG 3.64Å; H529-H664 AromaticContact CD2-ND1 3.99Å; H529-H664 AromaticContact CD2-NE2 3.53Å; H529-H664 AromaticContact CE1-CD2 3.82Å; H529-H664 AromaticContact CE1-CG 3.97Å; H529-H664 AromaticContact CG-CG 3.89Å; H529-H664 AromaticContact NE2-CD2 3.17Å; H529-H664 PolarHBondContact NE2-CD2 3.31Å; H529-H664 AromaticContact NE2-CG 3.69Å; H529-H664 AromaticContact NE2-NE2 3.74Å
530L73.8Confident74.1Confident71 Ų7145.9 Ų45.937%0.37225%0.246SC..Hα-helixtrans-57.6-33.2177-69.4170.5000111.5Y483 K484 R526 L527Y483-L530 HydrophobicContact CD1-CD1 4.11Å; Y483-L530 HydrophobicContact CE1-CB 4.02Å; Y483-L530 HydrophobicContact CE1-CD1 4.24Å; K484-L530 HydrophobicContact CG-CD1 4.2Å; R526-L530 PolarHBondContact O-N 3.48Å; L527-L530 HydrophobicContact CD2-CD1 4.26Å; L527-L530 PolarHBondContact O-N 3.47Å
531Y74.2Confident74Confident38 Ų3848.9 Ų48.915%0.14926%0.261CS..Hα-helixtrans-71.5-46.7174.2177.2-110.3000112.9Y491 H496 L527 T528 H529 R535Y491-Y531 AromaticContact CE2-CD2 3.9Å; Y491-Y531 HydrophobicContact CE2-CD2 3.9Å; Y491-Y531 HydrophobicContact CE2-CE2 4.13Å; H496-Y531 HydrophobicContact CB-CD2 3.79Å; H496-Y531 HydrophobicContact CB-CE2 3.83Å; H496-Y531 HydrophobicContact CB-CG 4.36Å; H496-Y531 AromaticContact CG-CD2 3.74Å; H496-Y531 AromaticContact CG-CG 3.82Å; H496-Y531 AromaticContact ND1-CD2 3.89Å; H496-Y531 AromaticContact ND1-CG 3.81Å; L527-Y531 PolarHBondContact O-N 3.41Å; T528-Y531 WeakPolarHBondContact O-CB 3.22Å; T528-Y531 PolarHBondContact O-N 3.16Å; H529-Y531 PolarHBondContact O-N 3.3Å; Y531-R535 HydrophobicContact CD2-CG 4.22Å; Y531-R535 HydrophobicContact CE2-CG 4.07Å; Y531-R535 WeakPolarHBondContact O-CB 3.35Å; Y531-R535 WeakPolarHBondContact O-CG 3.29Å
532L67.3Low74.3Confident22 Ų2243.1 Ų43.112%0.11524%0.235CC..Hα-helixtrans-69-44-177.2-72.2-179000113.6T528 H529 G534 R535 V536 W622T528-L532 PolarHBondContact O-N 3.22Å; H529-L532 PolarHBondContact O-N 3.08Å; H529-L532 VanDerWaalsContact O-N 3.13Å; L532-G534 PolarHBondContact O-N 3.32Å; L532-R535 PolarHBondContact O-N 3.17Å; L532-V536 HydrophobicContact CD2-CG2 3.76Å; L532-V536 PolarHBondContact O-N 2.85Å; L532-W622 HydrophobicContact CD1-CE3 3.63Å; L532-W622 HydrophobicContact CD1-CZ3 3.5Å; L532-W622 HydrophobicContact CD2-CE3 4.29Å; L532-W622 HydrophobicContact CD2-CZ3 4.04Å; L532-W622 HydrophobicContact CG-CE3 4.27Å; L532-W622 HydrophobicContact CG-CZ3 3.79Å
533A62.7Low74.4Confident34 Ų3439.9 Ų39.928%0.28122%0.222SC..Hα-helixtrans-62.9-22.1-175.800000113H529 E551 L665H529-A533 WeakPolarHBondContact O-CB 3.26Å; H529-A533 PolarHBondContact O-N 2.92Å; A533-E551 VanDerWaalsContact O-OE2 3.1Å; A533-L665 HydrophobicContact CB-CD2 3.85Å
534G61.8Low74.2Confident25 Ų2542.1 Ų42.126%0.25824%0.237SC..THydrogen-bonded Turntrans-111.810.8-176.300000116.2L532 E551L532-G534 PolarHBondContact O-N 3.32Å; G534-E551 VanDerWaalsContact CA-OE2 3.31Å; G534-E551 WeakPolarHBondContact CA-OE2 3.17Å
535R60.1Low74Confident51 Ų5142.3 Ų42.319%0.19225%0.245CC..THydrogen-bonded Turntrans-144.4-37.1-169.9-74.3-74.4156.368.713.6116.5P488 V489 H490 Y491 Y531 L532 T537P488-R535 PolarHBondContact O-NH2 3.12Å; V489-R535 PolarHBondContact O-NH2 3.17Å; H490-R535 VanDerWaalsContact CA-NH2 3.26Å; Y491-R535 VanDerWaalsContact CD1-CZ 3.48Å; Y491-R535 VanDerWaalsContact CD1-NH1 3.25Å; Y491-R535 PolarHBondContact O-NH1 3.39Å; Y531-R535 HydrophobicContact CD2-CG 4.22Å; Y531-R535 HydrophobicContact CE2-CG 4.07Å; Y531-R535 WeakPolarHBondContact O-CB 3.35Å; Y531-R535 WeakPolarHBondContact O-CG 3.29Å; L532-R535 PolarHBondContact O-N 3.17Å; R535-T537 PolarHBondContact O-N 3.4Å
536V61Low74.4Confident52 Ų5243.6 Ų43.632%0.31525%0.249SC..  trans-81114.6-177.1178.80000106.2L532 E551 L552L532-V536 HydrophobicContact CD2-CG2 3.76Å; L532-V536 PolarHBondContact O-N 2.85Å; V536-E551 CarbonylContact O-C 3.46Å; V536-E551 WeakPolarHBondContact O-CA 3.09Å; V536-L552 HydrophobicContact CB-CB 3.99Å; V536-L552 HydrophobicContact CB-CD2 4.31Å; V536-L552 HydrophobicContact CG1-CB 4.23Å; V536-L552 HydrophobicContact CG1-CD2 4.33Å; V536-L552 WeakPolarHBondContact O-CA 3.45Å; V536-L552 VanDerWaalsContact O-CB 3.3Å; V536-L552 WeakPolarHBondContact O-CB 3.18Å; V536-L552 PolarHBondContact O-N 3.47Å
537T70.7Confident74.5Confident99 Ų9943.8 Ų43.861%0.60726%0.26SS*.BIsolated β-bridgetrans-63.2144.8170.550.80000109.2R535 P539R535-T537 PolarHBondContact O-N 3.4Å; T537-P539 WeakPolarHBondContact O-CD 3.33Å; T537-P539 VanDerWaalsContact O-N 3.17Å
538C77.2Confident74.6Confident6 Ų644.1 Ų44.14%0.04126%0.262CS..  trans-59.4122.1172.3-179.50000109.4I540 C548 Y550 H670C538-I540 PolarHBondContact O-N 3.48Å; C538-C548 HydrophobicContact CB-CB 3.76Å; C538-Y550 VanDerWaalsContact CB-O 3.26Å; C538-Y550 WeakPolarHBondContact CB-O 3.33Å; C538-Y550 PolarHBondContact N-O 3.24Å; C538-H670 PolarHBondContact SG-CE1 2.76Å
539P75Confident74.8Confident43 Ų4347.8 Ų47.828%0.27928%0.278SS..  trans-77.8-3.3-173.633.2-38.2000113T537 P615 F616T537-P539 WeakPolarHBondContact O-CD 3.33Å; T537-P539 VanDerWaalsContact O-N 3.17Å; P539-P615 HydrophobicContact CG-CB 4.12Å; P539-F616 HydrophobicContact CB-CB 4.14Å; P539-F616 HydrophobicContact CG-CB 4.1Å; P539-F616 WeakPolarHBondContact CG-O 3.36Å
540I77.9Confident75.3Confident62 Ų6250.2 Ų50.232%0.31829%0.287SS..  trans-75.3134.6-174.8-62.4-64.4000110.2C538 C548 F693C538-I540 PolarHBondContact O-N 3.48Å; I540-C548 PolarHBondContact O-N 3.31Å; I540-F693 HydrophobicContact CG2-CD1 3.86Å
541I81.7Confident75.3Confident101 Ų10151.3 Ų51.352%0.51829%0.29SS..BIsolated β-bridgetrans-108.7138.2177.4-53.3176.4000108.1G545 Q546I541-G545 VanDerWaalsContact CG2-CA 3.49Å; I541-G545 WeakPolarHBondContact CG2-O 2.88Å; I541-Q546 CarbonylContact C-O 3.55Å; I541-Q546 WeakPolarHBondContact CA-O 3.16Å
542S86.2Confident74.9Confident7 Ų749.9 Ų49.95%0.04929%0.285CS..  trans-65.9165.5173.772.90000111.9S544 G545 Q546 D691 F693S542-S544 PolarHBondContact O-N 3.08Å; S542-S544 PolarHBondContact OG-N 3.4Å; S542-S544 PolarHBondContact OG-OG 3.21Å; S542-G545 PolarHBondContact O-N 3.08Å; S542-G545 PolarHBondContact OG-N 3.15Å; S542-Q546 PolarHBondContact N-O 3.42Å; S542-Q546 PolarHBondContact OG-N 2.96Å; S542-Q546 PolarHBondContact OG-O 3.31Å; S542-D691 VanDerWaalsContact CB-CG 3.45Å; S542-D691 WeakPolarHBondContact CB-OD2 3.45Å; S542-D691 VanDerWaalsContact OG-CG 3.24Å; S542-D691 PolarHBondContact OG-OD1 2.84Å; S542-D691 PolarHBondContact OG-OD2 3.12Å; S542-F693 VanDerWaalsContact CA-CD1 3.43Å
543L82.2Confident75.1Confident27 Ų2749.4 Ų49.414%0.14128%0.282CS..THydrogen-bonded Turntrans-67-15.7176.9-61.8176.1000113P692 Y695 A698 A1235 L1242L543-P692 HydrophobicContact CB-CG 4.46Å; L543-P692 WeakPolarHBondContact CB-O 3.47Å; L543-P692 HydrophobicContact CD1-CB 4.33Å; L543-P692 HydrophobicContact CD1-CG 4.34Å; L543-P692 WeakPolarHBondContact CG-O 3.02Å; L543-P692 PolarHBondContact N-O 3.19Å; L543-Y695 HydrophobicContact CD1-CD1 4.35Å; L543-Y695 HydrophobicContact CD2-CE1 4.22Å; L543-Y695 HydrophobicContact CD2-CE2 4.48Å; L543-A698 HydrophobicContact CD1-CB 3.59Å; L543-A1235 HydrophobicContact CD1-CB 4Å; L543-L1242 HydrophobicContact CD2-CD1 4.03Å; L543-L1242 HydrophobicContact CD2-CD2 3.5Å; L543-L1242 HydrophobicContact CD2-CG 4.46Å
544S79.6Confident75.3Confident46 Ų4650.2 Ų50.232%0.32228%0.278SS..THydrogen-bonded Turntrans-88.4-4.5171.373.60000113.7S542 D691S542-S544 PolarHBondContact O-N 3.08Å; S542-S544 PolarHBondContact OG-N 3.4Å; S542-S544 PolarHBondContact OG-OG 3.21Å; S544-D691 WeakPolarHBondContact CB-OD1 3.18Å; S544-D691 PolarHBondContact OG-OD1 3.21Å; S544-D691 PolarHBondContact OG-OD2 3.18Å
545G79.3Confident75.5Confident42 Ų4251.9 Ų51.943%0.43328%0.283SS..SBendtrans95.513.6177.600000115.1I541 S542I541-G545 VanDerWaalsContact CG2-CA 3.49Å; I541-G545 WeakPolarHBondContact CG2-O 2.88Å; S542-G545 PolarHBondContact O-N 3.08Å; S542-G545 PolarHBondContact OG-N 3.15Å
546Q82.7Confident75.8Confident86 Ų8652.4 Ų52.440%0.40229%0.293SS..PPolyproline II helixtrans-98.2134.1-179.7-59.4-63.8-41.800112I541 S542 V674I541-Q546 CarbonylContact C-O 3.55Å; I541-Q546 WeakPolarHBondContact CA-O 3.16Å; S542-Q546 PolarHBondContact N-O 3.42Å; S542-Q546 PolarHBondContact OG-N 2.96Å; S542-Q546 PolarHBondContact OG-O 3.31Å; Q546-V674 HydrophobicContact CG-CG2 3.86Å
547P84.4Confident75.5Confident77 Ų7753.4 Ų53.450%0.530%0.297SS..BIsolated β-bridgetrans-68.4152.5176.530.1-34.5000111.4
548C84.4Confident74.4Confident6 Ų651.9 Ų51.94%0.04129%0.285CS..PPolyproline II helixtrans-63.3135.1167-176.20000110C538 I540 H553 H670 R671 F693C538-C548 HydrophobicContact CB-CB 3.76Å; I540-C548 PolarHBondContact O-N 3.31Å; C548-H553 PolarHBondContact SG-NE2 2.85Å; C548-H670 HydrophobicContact CB-CB 4.44Å; C548-R671 CarbonylContact C-O 3.56Å; C548-R671 WeakPolarHBondContact CA-O 3.34Å; C548-F693 HydrophobicContact CB-CE1 4.06Å; C548-F693 HydrophobicContact CB-CZ 4.33Å
549Q81.1Confident72.7Confident95 Ų9555.6 Ų55.644%0.44431%0.31SS..  trans-83.4-16.6-179-68.7178.4-28.300113.7R671 S672 D673Q549-R671 PolarHBondContact N-O 3.24Å; Q549-S672 PolarHBondContact NE2-O 2.86Å; Q549-D673 VanDerWaalsContact CD-CG 3.41Å; Q549-D673 VanDerWaalsContact NE2-CB 3.26Å; Q549-D673 PolarHBondContact NE2-OD2 3.47Å; Q549-D673 PolarHBondContact OE1-OD1 3.18Å; Q549-D673 PolarHBondContact OE1-OD2 3.03Å
550Y78.5Confident71.3Confident65 Ų6559.4 Ų59.426%0.25533%0.328SS..SBendtrans-78149.5177.9-62.8-47.5000110.8C538 M668 P669 R671C538-Y550 VanDerWaalsContact CB-O 3.26Å; C538-Y550 WeakPolarHBondContact CB-O 3.33Å; C538-Y550 PolarHBondContact N-O 3.24Å; Y550-M668 HydrophobicContact CD1-CE 4.13Å; Y550-M668 HydrophobicContact CD2-CE 4.2Å; Y550-M668 HydrophobicContact CE1-CE 4.47Å; Y550-M668 HydrophobicContact CE2-CB 4.48Å; Y550-M668 HydrophobicContact CG-CE 4Å; Y550-P669 WeakPolarHBondContact CE2-O 3.18Å; Y550-R671 HydrophobicContact CD2-CB 4.04Å; Y550-R671 HydrophobicContact CE2-CB 3.48Å; Y550-R671 VanDerWaalsContact CE2-CB 3.48Å; Y550-R671 HydrophobicContact CE2-CG 4.41Å; Y550-R671 WeakPolarHBondContact OH-CD 3.41Å; Y550-R671 PolarHBondContact OH-NH1 3.31Å
551E72.9Confident69.6Low93 Ų9360.8 Ų60.844%0.43534%0.34SS..BIsolated β-bridgetrans-60.7168.4162.6-62.6175.6162.500110.1A533 G534 V536 H553A533-E551 VanDerWaalsContact O-OE2 3.1Å; G534-E551 VanDerWaalsContact CA-OE2 3.31Å; G534-E551 WeakPolarHBondContact CA-OE2 3.17Å; V536-E551 CarbonylContact O-C 3.46Å; V536-E551 WeakPolarHBondContact O-CA 3.09Å; E551-H553 WeakPolarHBondContact O-CB 3.45Å; E551-H553 PolarHBondContact O-CD2 3.5Å; E551-H553 PolarHBondContact O-N 3.49Å
552L66.7Low67.6Low9 Ų958 Ų585%0.04733%0.326CS..SBendtrans-52.8116-174.2-176.466.6000109.1V536 P615 L665V536-L552 HydrophobicContact CB-CB 3.99Å; V536-L552 HydrophobicContact CB-CD2 4.31Å; V536-L552 HydrophobicContact CG1-CB 4.23Å; V536-L552 HydrophobicContact CG1-CD2 4.33Å; V536-L552 WeakPolarHBondContact O-CA 3.45Å; V536-L552 VanDerWaalsContact O-CB 3.3Å; V536-L552 WeakPolarHBondContact O-CB 3.18Å; V536-L552 PolarHBondContact O-N 3.47Å; L552-P615 HydrophobicContact CD1-CB 3.73Å; L552-P615 HydrophobicContact CD1-CG 3.73Å; L552-L665 HydrophobicContact CG-CD1 4.38Å; L552-L665 WeakPolarHBondContact O-CD2 3.47Å
553H71.1Confident65.5Low11 Ų1163 Ų635%0.05135%0.346CS..  trans-136.1164.8-171.970.794.1000109.7C548 E551 A666 M668 H670C548-H553 PolarHBondContact SG-NE2 2.85Å; E551-H553 WeakPolarHBondContact O-CB 3.45Å; E551-H553 PolarHBondContact O-CD2 3.5Å; E551-H553 PolarHBondContact O-N 3.49Å; H553-A666 WeakPolarHBondContact CB-O 3.2Å; H553-M668 HydrophobicContact CB-CE 4.42Å; H553-M668 PolarHBondContact CE1-O 2.83Å; H553-M668 PolarHBondContact ND1-O 3.28Å; H553-H670 AromaticContact CE1-CE1 3.61Å; H553-H670 AromaticContact CE1-ND1 3.18Å; H553-H670 PolarHBondContact CE1-ND1 3.39Å; H553-H670 AromaticContact NE2-CE1 3.53Å; H553-H670 AromaticContact NE2-ND1 2.94Å; H553-H670 PolarHBondContact NE2-ND1 3.46Å
554R66.2Low63.6Low52 Ų5265.7 Ų65.720%0.19636%0.364CS..BIsolated β-bridgetrans-93.4139.4171-174.5171.5178.7167.8-0.7108.8D557 S633 A666 V667 M668R554-D557 IonicContact CZ-OD1 3.65Å; R554-D557 IonicContact CZ-OD2 2.83Å; R554-D557 IonicContact NE-OD1 3.59Å; R554-D557 PolarHBondContact NE-OD1 2.68Å; R554-D557 IonicContact NE-OD2 3.43Å; R554-D557 IonicContact NH2-OD1 3.5Å; R554-D557 IonicContact NH2-OD2 3.54Å; R554-D557 PolarHBondContact NH2-OD2 3.26Å; R554-S633 PolarHBondContact NH1-OG 2.83Å; R554-A666 PolarHBondContact N-O 3.44Å; R554-V667 HydrophobicContact CB-CG2 4.19Å; R554-V667 HydrophobicContact CG-CG2 4.42Å; R554-V667 CarbonylContact O-C 3.49Å; R554-V667 VanDerWaalsContact O-CA 3.28Å; R554-V667 WeakPolarHBondContact O-CA 3.38Å; R554-M668 PolarHBondContact O-N 3.41Å
555V67.4Low61.9Low59 Ų5965.3 Ų65.336%0.35836%0.358SS..PPolyproline II helixtrans-83.8142.6171.8-174.30000108.2D557 H670V555-D557 PolarHBondContact O-N 3.2Å; V555-D557 VanDerWaalsContact O-N 3.13Å; V555-H670 VanDerWaalsContact CG2-NE2 3.26Å; V555-H670 WeakPolarHBondContact CG2-NE2 3.41Å
556P65.6Low60.2Low63 Ų6364.6 Ų64.641%0.40934%0.344SS..PPolyproline II helixtrans-52.4121.6173.9-25.832.6000110.7D558 V667 M668P556-D558 PolarHBondContact O-N 3.01Å; P556-D558 VanDerWaalsContact O-N 3.17Å; P556-V667 HydrophobicContact CB-CG1 4.26Å; P556-V667 HydrophobicContact CG-CG1 4.05Å; P556-M668 VanDerWaalsContact CD-C 3.48Å; P556-M668 WeakPolarHBondContact CD-O 3.43Å
557D54.4Low58.5Low72 Ų7262.8 Ų62.839%0.38534%0.341SS..PPolyproline II helixtrans-62.7118.7-179.7-60.3-32.3000109.2R554 V555 C559 L562R554-D557 IonicContact CZ-OD1 3.65Å; R554-D557 IonicContact CZ-OD2 2.83Å; R554-D557 IonicContact NE-OD1 3.59Å; R554-D557 PolarHBondContact NE-OD1 2.68Å; R554-D557 IonicContact NE-OD2 3.43Å; R554-D557 IonicContact NH2-OD1 3.5Å; R554-D557 IonicContact NH2-OD2 3.54Å; R554-D557 PolarHBondContact NH2-OD2 3.26Å; V555-D557 PolarHBondContact O-N 3.2Å; V555-D557 VanDerWaalsContact O-N 3.13Å; D557-C559 VanDerWaalsContact C-N 3.28Å; D557-C559 PolarHBondContact O-N 2.86Å; D557-L562 HydrophobicContact CB-CD1 4.28Å; D557-L562 VanDerWaalsContact OD1-CD1 3.29Å; D557-L562 WeakPolarHBondContact OD1-CD1 3.4Å; D557-L562 WeakPolarHBondContact OD2-CD1 3.26Å
558D49.1Very low56.6Low67 Ų6762.3 Ų62.336%0.35834%0.337SS..  trans-68.896.5157.7-81.7-21.8000104.8P556 N560 T561 K696 R701P556-D558 PolarHBondContact O-N 3.01Å; P556-D558 VanDerWaalsContact O-N 3.17Å; D558-N560 PolarHBondContact O-N 2.94Å; D558-T561 PolarHBondContact O-N 3.47Å; D558-K696 IonicContact OD1-NZ 3.71Å; D558-K696 IonicContact OD2-NZ 3.32Å; D558-K696 PolarHBondContact OD2-NZ 3.08Å; D558-R701 IonicContact OD1-CZ 3.13Å; D558-R701 IonicContact OD1-NH1 3.87Å; D558-R701 IonicContact OD1-NH2 3.06Å; D558-R701 PolarHBondContact OD1-NH2 2.65Å; D558-R701 IonicContact OD2-NH1 3.79Å; D558-R701 IonicContact OD2-NH2 2.72Å
559C41.2Very low54.7Low85 Ų8564.7 Ų64.757%0.57435%0.348SS*.THydrogen-bonded Turntrans-43.50.3-166-75.30000119.6D557 K563D557-C559 VanDerWaalsContact C-N 3.28Å; D557-C559 PolarHBondContact O-N 2.86Å; C559-K563 WeakPolarHBondContact O-CB 3.48Å; C559-K563 WeakPolarHBondContact O-CD 3.26Å; C559-K563 WeakPolarHBondContact O-CG 3.46Å
560N43.9Very low53.1Low122 Ų12264.5 Ų64.565%0.65235%0.351SS*.THydrogen-bonded Turntrans-93.9-38.7177.9-70.9-13.3000113.6D558 K563 V564D558-N560 PolarHBondContact O-N 2.94Å; N560-K563 PolarHBondContact O-N 3.5Å; N560-V564 WeakPolarHBondContact O-CB 3.48Å; N560-V564 VanDerWaalsContact O-CG2 3.24Å; N560-V564 WeakPolarHBondContact O-CG2 3.39Å; N560-V564 PolarHBondContact O-N 3.37Å
561T42.4Very low51.4Low92 Ų9266 Ų6656%0.56436%0.363SS*.Hα-helixtrans-68-47.9-169.8-41.60000112D558 V564 I565D558-T561 PolarHBondContact O-N 3.47Å; T561-V564 PolarHBondContact O-N 2.99Å; T561-I565 HydrophobicContact CG2-CD1 4.1Å; T561-I565 VanDerWaalsContact O-CG1 3.28Å; T561-I565 WeakPolarHBondContact O-CG1 3.5Å; T561-I565 PolarHBondContact O-N 3.37Å; T561-I565 VanDerWaalsContact O-N 3.1Å
562L40.6Very low49.8Very low43 Ų4368.5 Ų68.523%0.22537%0.372CS..Hα-helixtrans-66.6-38.7175.4-71.7-179.8000112.3D557 V564 I565 L566D557-L562 HydrophobicContact CB-CD1 4.28Å; D557-L562 VanDerWaalsContact OD1-CD1 3.29Å; D557-L562 WeakPolarHBondContact OD1-CD1 3.4Å; D557-L562 WeakPolarHBondContact OD2-CD1 3.26Å; L562-V564 PolarHBondContact O-N 3.05Å; L562-I565 PolarHBondContact O-N 3.27Å; L562-L566 HydrophobicContact CB-CD1 4.38Å; L562-L566 VanDerWaalsContact O-CB 3.25Å; L562-L566 WeakPolarHBondContact O-CB 3.36Å; L562-L566 WeakPolarHBondContact O-CD1 3.33Å; L562-L566 VanDerWaalsContact O-CG 3.23Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 2.95Å
563K42.3Very low48.6Very low110 Ų11071.1 Ų71.148%0.47839%0.386SS..Hα-helixtrans-60.8-45.8176.7-79.3-171.3-172.8179.40111.8C559 N560 S567 Y634C559-K563 WeakPolarHBondContact O-CB 3.48Å; C559-K563 WeakPolarHBondContact O-CD 3.26Å; C559-K563 WeakPolarHBondContact O-CG 3.46Å; N560-K563 PolarHBondContact O-N 3.5Å; K563-S567 VanDerWaalsContact O-CB 3.24Å; K563-S567 WeakPolarHBondContact O-CB 3.41Å; K563-S567 PolarHBondContact O-N 3.36Å; K563-S567 PolarHBondContact O-OG 3Å; K563-Y634 HydrophobicContact CG-CE2 4.15Å
564V42Very low47.2Very low84 Ų8473.7 Ų73.751%0.50941%0.405SS..Hα-helixtrans-64.2-46.9179.6171.60000110.2N560 T561 L562 S567 T568N560-V564 WeakPolarHBondContact O-CB 3.48Å; N560-V564 VanDerWaalsContact O-CG2 3.24Å; N560-V564 WeakPolarHBondContact O-CG2 3.39Å; N560-V564 PolarHBondContact O-N 3.37Å; T561-V564 PolarHBondContact O-N 2.99Å; L562-V564 PolarHBondContact O-N 3.05Å; V564-S567 PolarHBondContact O-N 3.29Å; V564-S567 PolarHBondContact O-OG 2.75Å; V564-T568 PolarHBondContact O-N 3.48Å; V564-T568 PolarHBondContact O-OG1 2.83Å
565I43.7Very low45.8Very low38 Ų3877.9 Ų77.920%0.19543%0.427CS..Hα-helixtrans-66.3-44.6-178.2-65.4169.6000111.1T561 L562 S567 T568 I569 I613T561-I565 HydrophobicContact CG2-CD1 4.1Å; T561-I565 VanDerWaalsContact O-CG1 3.28Å; T561-I565 WeakPolarHBondContact O-CG1 3.5Å; T561-I565 PolarHBondContact O-N 3.37Å; T561-I565 VanDerWaalsContact O-N 3.1Å; L562-I565 PolarHBondContact O-N 3.27Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 3.03Å; I565-T568 WeakPolarHBondContact O-CA 3.27Å; I565-T568 WeakPolarHBondContact O-CB 3.48Å; I565-T568 PolarHBondContact O-N 2.98Å; I565-I569 HydrophobicContact CG2-CD1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.19Å; I565-I569 PolarHBondContact O-N 3Å; I565-I613 HydrophobicContact CD1-CD1 3.55Å
566L43.5Very low44.2Very low27 Ų2782 Ų8214%0.14145%0.447CS..Hα-helixtrans-65.5-37.8177.2-69.3163.7000111.3L562 T568 I569 D570 I631 Y634L562-L566 HydrophobicContact CB-CD1 4.38Å; L562-L566 VanDerWaalsContact O-CB 3.25Å; L562-L566 WeakPolarHBondContact O-CB 3.36Å; L562-L566 WeakPolarHBondContact O-CD1 3.33Å; L562-L566 VanDerWaalsContact O-CG 3.23Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 2.95Å; L566-T568 VanDerWaalsContact C-N 3.27Å; L566-T568 PolarHBondContact O-N 3.43Å; L566-I569 HydrophobicContact CD2-CD1 4.42Å; L566-I569 PolarHBondContact O-N 2.87Å; L566-D570 PolarHBondContact O-N 3.19Å; L566-I631 HydrophobicContact CD2-CG1 4.47Å; L566-Y634 HydrophobicContact CB-CE1 4.22Å; L566-Y634 HydrophobicContact CD1-CD1 3.52Å; L566-Y634 HydrophobicContact CD1-CD2 3.39Å; L566-Y634 HydrophobicContact CD1-CE1 3.72Å; L566-Y634 HydrophobicContact CD1-CE2 3.61Å; L566-Y634 HydrophobicContact CD1-CG 3.32Å
567S47.3Very low42.6Very low49 Ų4987 Ų8734%0.34346%0.459SS..Hα-helixtrans-64.6-32171.478.60000112.5K563 V564 I565 D570 N571K563-S567 VanDerWaalsContact O-CB 3.24Å; K563-S567 WeakPolarHBondContact O-CB 3.41Å; K563-S567 PolarHBondContact O-N 3.36Å; K563-S567 PolarHBondContact O-OG 3Å; V564-S567 PolarHBondContact O-N 3.29Å; V564-S567 PolarHBondContact O-OG 2.75Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 3.03Å; S567-D570 PolarHBondContact O-N 2.93Å; S567-N571 VanDerWaalsContact O-CB 3.27Å; S567-N571 WeakPolarHBondContact O-CB 3.2Å; S567-N571 PolarHBondContact O-N 3.49Å; S567-N571 PolarHBondContact O-ND2 3.24Å; S567-N571 VanDerWaalsContact O-ND2 3.13Å
568T45.6Very low41.3Very low67 Ų6788.7 Ų88.741%0.41147%0.472SS..Hα-helixtrans-71.1-35.6177.4-47.70000111V564 I565 L566 N571 K572V564-T568 PolarHBondContact O-N 3.48Å; V564-T568 PolarHBondContact O-OG1 2.83Å; I565-T568 WeakPolarHBondContact O-CA 3.27Å; I565-T568 WeakPolarHBondContact O-CB 3.48Å; I565-T568 PolarHBondContact O-N 2.98Å; L566-T568 VanDerWaalsContact C-N 3.27Å; L566-T568 PolarHBondContact O-N 3.43Å; T568-N571 PolarHBondContact O-N 3.01Å; T568-K572 WeakPolarHBondContact O-CB 2.99Å; T568-K572 PolarHBondContact O-N 3.45Å
569I44.1Very low40.3Very low56 Ų5689.7 Ų89.729%0.28749%0.489SS..Hα-helixtrans-65.8-46.6172.8-66.2167.1000109.8I565 L566 N571 K572 I573I565-I569 HydrophobicContact CG2-CD1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.19Å; I565-I569 PolarHBondContact O-N 3Å; L566-I569 HydrophobicContact CD2-CD1 4.42Å; L566-I569 PolarHBondContact O-N 2.87Å; I569-N571 VanDerWaalsContact C-N 3.31Å; I569-N571 PolarHBondContact O-N 3.36Å; I569-K572 PolarHBondContact O-N 3.15Å; I569-I573 HydrophobicContact CG2-CD1 3.78Å; I569-I573 WeakPolarHBondContact O-CB 3.26Å; I569-I573 WeakPolarHBondContact O-CD1 3.41Å; I569-I573 WeakPolarHBondContact O-CG1 3.36Å; I569-I573 PolarHBondContact O-N 2.87Å
570D46.7Very low39.5Very low91 Ų9195.5 Ų95.549%0.48751%0.505SS..Hα-helixtrans-62.8-37.7176.2-80.4-18.2000112.3L566 S567 I573 S574L566-D570 PolarHBondContact O-N 3.19Å; S567-D570 PolarHBondContact O-N 2.93Å; D570-I573 PolarHBondContact O-N 3.49Å; D570-S574 WeakPolarHBondContact O-CB 3.45Å; D570-S574 PolarHBondContact O-N 3.43Å; D570-S574 PolarHBondContact O-OG 3.37Å
571N43.7Very low38.8Very low95 Ų9597.2 Ų97.251%0.50851%0.514SS..Hα-helixtrans-70.2-41.7177.3-70.8-22.7000112.1S567 T568 I569 I573 S574 E575S567-N571 VanDerWaalsContact O-CB 3.27Å; S567-N571 WeakPolarHBondContact O-CB 3.2Å; S567-N571 PolarHBondContact O-N 3.49Å; S567-N571 PolarHBondContact O-ND2 3.24Å; S567-N571 VanDerWaalsContact O-ND2 3.13Å; T568-N571 PolarHBondContact O-N 3.01Å; I569-N571 VanDerWaalsContact C-N 3.31Å; I569-N571 PolarHBondContact O-N 3.36Å; N571-I573 VanDerWaalsContact C-N 3.33Å; N571-I573 PolarHBondContact O-N 3.26Å; N571-S574 CarbonylContact O-C 3.5Å; N571-S574 WeakPolarHBondContact O-CA 3.46Å; N571-S574 WeakPolarHBondContact O-CB 3.3Å; N571-S574 PolarHBondContact O-N 3.01Å; N571-E575 PolarHBondContact O-N 3.48Å
572K39Very low38.4Very low146 Ų14698.3 Ų98.364%0.63553%0.526SS*.Hα-helixtrans-65.8-36.2174.7-86.1-169.9173.6-177.50112.5T568 I569 S574 E575T568-K572 WeakPolarHBondContact O-CB 2.99Å; T568-K572 PolarHBondContact O-N 3.45Å; I569-K572 PolarHBondContact O-N 3.15Å; K572-S574 PolarHBondContact O-N 3.41Å; K572-E575 PolarHBondContact O-N 2.93Å
573I40.7Very low38Very low64 Ų64102.5 Ų102.533%0.32855%0.548SS..Hα-helixtrans-65.1-28.1172.5-66.8166.5000110.8I569 D570 N571I569-I573 HydrophobicContact CG2-CD1 3.78Å; I569-I573 WeakPolarHBondContact O-CB 3.26Å; I569-I573 WeakPolarHBondContact O-CD1 3.41Å; I569-I573 WeakPolarHBondContact O-CG1 3.36Å; I569-I573 PolarHBondContact O-N 2.87Å; D570-I573 PolarHBondContact O-N 3.49Å; N571-I573 VanDerWaalsContact C-N 3.33Å; N571-I573 PolarHBondContact O-N 3.26Å
574S41.6Very low37.3Very low66 Ų66101.2 Ų101.246%0.46257%0.566SS.*Hα-helixtrans-80.9-32177.9-60.10000113.8D570 N571 K572 Y577D570-S574 WeakPolarHBondContact O-CB 3.45Å; D570-S574 PolarHBondContact O-N 3.43Å; D570-S574 PolarHBondContact O-OG 3.37Å; N571-S574 CarbonylContact O-C 3.5Å; N571-S574 WeakPolarHBondContact O-CA 3.46Å; N571-S574 WeakPolarHBondContact O-CB 3.3Å; N571-S574 PolarHBondContact O-N 3.01Å; K572-S574 PolarHBondContact O-N 3.41Å; S574-Y577 PolarHBondContact O-N 3.17Å
575E37.3Very low36.6Very low139 Ų139104 Ų10465%0.6558%0.579SS**Hα-helixtrans-70.5-30.5-179.5-77.2-174.9167.700113.6N571 K572 Y577 T578N571-E575 PolarHBondContact O-N 3.48Å; K572-E575 PolarHBondContact O-N 2.93Å; E575-Y577 PolarHBondContact O-N 3.45Å; E575-T578 PolarHBondContact O-N 2.91Å; E575-T578 PolarHBondContact O-OG1 3.23Å; E575-T578 VanDerWaalsContact O-OG1 3.14Å
576D34.3Very low35.6Very low146 Ų146110.7 Ų110.778%0.78161%0.614SS**THydrogen-bonded Turntrans-65.2-3.5176-82.2-13.3000113.8
577Y31.3Very low34.7Very low168 Ų168117.2 Ų117.266%0.65965%0.648SS**THydrogen-bonded Turntrans-102.67.8175.5-78.1-80000115.6S574 E575 K600S574-Y577 PolarHBondContact O-N 3.17Å; E575-Y577 PolarHBondContact O-N 3.45Å; Y577-K600 PolarHBondContact OH-NZ 3.46Å
578T28.1Very low33.6Very low108 Ų108119.5 Ų119.566%0.66366%0.664SS**  trans-97.622.9178.160.40000115.6E575 F580E575-T578 PolarHBondContact O-N 2.91Å; E575-T578 PolarHBondContact O-OG1 3.23Å; E575-T578 VanDerWaalsContact O-OG1 3.14Å; T578-F580 PolarHBondContact O-N 3.02Å; T578-F580 VanDerWaalsContact O-N 3.08Å
579A27.1Very low32.6Very low88 Ų88125.6 Ų125.673%0.72769%0.688SS**  trans-68.9107.2167.600000110N581A579-N581 PolarHBondContact O-N 2.99Å
580F25.4Very low31.7Very low207 Ų207130.5 Ų130.591%0.90871%0.714SS**  trans-44.8115.6173.1-72-96.2000111.7T578T578-F580 PolarHBondContact O-N 3.02Å; T578-F580 VanDerWaalsContact O-N 3.08Å
581N27.7Very low30.7Very low157 Ų157134.7 Ų134.784%0.8473%0.731SS**  trans-107.5124.7156.3-89.6-24.9000108.3A579 D583A579-N581 PolarHBondContact O-N 2.99Å; N581-D583 PolarHBondContact O-N 3.41Å; N581-D583 VanDerWaalsContact O-N 3.15Å
582S33.9Very low29.7Very low115 Ų115140.5 Ų140.580%0.80475%0.747SS**  trans-75.811.5-169.745.50000115.4
583D32.5Very low29Very low131 Ų131141.6 Ų141.670%0.70175%0.754SS**  trans-112.498-172.7-63.9-21.2000110N581 N585N581-D583 PolarHBondContact O-N 3.41Å; N581-D583 VanDerWaalsContact O-N 3.15Å; D583-N585 PolarHBondContact O-N 3.34Å
584G28Very low28.3Very low83 Ų83143 Ų14386%0.85677%0.768SS**  trans-65.960-17400000115.9
585N26.8Very low27.7Very low144 Ų144147.4 Ų147.477%0.7778%0.781SS**  trans-105.3111.6172.4-78.8-24.2000111.2D583 L587D583-N585 PolarHBondContact O-N 3.34Å; N585-L587 PolarHBondContact O-N 2.86Å
586L22.8Very low27.4Very low177 Ų177144.3 Ų144.393%0.92778%0.775SS**  trans-71.486.1179.1-161.3110.9000109.9
587L24.6Very low27.4Very low164 Ų164139.7 Ų139.786%0.85975%0.754SS**  trans-93.3122.4170.7-76.3171.6000110.8N585N585-L587 PolarHBondContact O-N 2.86Å
588S25.6Very low27.5Very low98 Ų98135.9 Ų135.969%0.68574%0.744SS**  trans-35.7137.5-177.7-50.70000116.4N590S588-N590 PolarHBondContact O-N 3.45Å
589Q24.6Very low27.8Very low195 Ų195137 Ų13791%0.91175%0.746SS**  trans-38.598.5165.5-70.5167.1-43.100112.3
590N24.1Very low28.2Very low158 Ų158138.1 Ų138.185%0.84573%0.734SS**  trans-88.3125.8167.1-85.3-27.3000109.6S588 Y592S588-N590 PolarHBondContact O-N 3.45Å; N590-Y592 PolarHBondContact O-N 3.19Å
591H25.8Very low28.6Very low180 Ų180130.6 Ų130.683%0.83370%0.703SS**  trans-45.6128.7-179.8-81.2-82.5000113.3Q593H591-Q593 PolarHBondContact O-N 2.97Å; H591-Q593 VanDerWaalsContact O-N 3.17Å
592Y22.9Very low28.9Very low216 Ų216129.8 Ų129.885%0.84769%0.694SS**  trans-46.9112.9165.7-118-103.6000110.5N590N590-Y592 PolarHBondContact O-N 3.19Å
593Q24.4Very low28.8Very low169 Ų169135.6 Ų135.679%0.7970%0.698SS**  trans-109.8108.1165.4-78.5-164-16.100108.9H591 H595H591-Q593 PolarHBondContact O-N 2.97Å; H591-Q593 VanDerWaalsContact O-N 3.17Å; Q593-H595 PolarHBondContact O-N 2.9Å; Q593-H595 VanDerWaalsContact O-N 3.14Å
594P26Very low28.8Very low94 Ų94133.7 Ų133.761%0.6169%0.692SS**G310 helixtrans-71.1-3.3-173.2-17.430.6000115.9
595H27.7Very low29.2Very low158 Ų158137.1 Ų137.173%0.73169%0.69SS**G310 helixtrans-91.84.3-167.9-70.9-73.7000115.8Q593Q593-H595 PolarHBondContact O-N 2.9Å; Q593-H595 VanDerWaalsContact O-N 3.14Å
596S31.4Very low29.7Very low75 Ų75133.3 Ų133.352%0.52467%0.67SS.*G310 helixtrans-87-11.3-179.867.90000115.1I598S596-I598 PolarHBondContact O-N 2.7Å
597S34.5Very low30.5Very low48 Ų48129.2 Ų129.234%0.33666%0.661SS.*Hα-helixtrans-72.3-28.5-173.5-49.80000113.9
598I34.2Very low31.2Very low89 Ų89125.3 Ų125.346%0.45664%0.641SS.*Hα-helixtrans-71.5-38.9-177.7-68.2170.3000111.5S596 K600 L601S596-I598 PolarHBondContact O-N 2.7Å; I598-K600 VanDerWaalsContact C-N 3.34Å; I598-K600 PolarHBondContact O-N 3Å; I598-L601 WeakPolarHBondContact O-CB 3.1Å; I598-L601 PolarHBondContact O-N 2.86Å
599N34.6Very low31.8Very low131 Ų131130 Ų13070%0.70165%0.649SS**Hα-helixtrans-73.8-25.5-179.1-75-12.5000112.9L601N599-L601 PolarHBondContact O-N 3.28Å
600K34Very low32.5Very low111 Ų111124.6 Ų124.648%0.48363%0.626SS.*Hα-helixtrans-73-16.1174.3-78.9-175.7176.4-179.60113.4Y577 I598 H602Y577-K600 PolarHBondContact OH-NZ 3.46Å; I598-K600 VanDerWaalsContact C-N 3.34Å; I598-K600 PolarHBondContact O-N 3Å; K600-H602 PolarHBondContact O-N 2.82Å
601L33.9Very low33.2Very low49 Ų49124.5 Ų124.526%0.25762%0.621SS.*THydrogen-bonded Turntrans-73.7-10178.8-127.6136.3000113.4I598 N599 R603 L606 I631I598-L601 WeakPolarHBondContact O-CB 3.1Å; I598-L601 PolarHBondContact O-N 2.86Å; N599-L601 PolarHBondContact O-N 3.28Å; L601-R603 PolarHBondContact O-N 3.4Å; L601-L606 HydrophobicContact CD2-CD1 3.83Å; L601-I631 HydrophobicContact CD1-CD1 4.17Å
602H33.7Very low34Very low140 Ų140125.3 Ų125.365%0.64862%0.618SS**THydrogen-bonded Turntrans-66.5-17.3176.1-105.6-81000114.2K600 R624K600-H602 PolarHBondContact O-N 2.82Å; H602-R624 PolarHBondContact CD2-NH2 2.89Å; H602-R624 PolarHBondContact CE1-NH2 3.25Å; H602-R624 PolarHBondContact ND1-NH2 2.69Å; H602-R624 PolarHBondContact NE2-NH2 2.74Å
603R32.9Very low35.1Very low237 Ų237117.7 Ų117.789%0.89459%0.591SS**SBendtrans-111.7-14.7-173.6-146.6178.1-153.4-178.16.3115.1L601 D605L601-R603 PolarHBondContact O-N 3.4Å; R603-D605 PolarHBondContact O-N 3Å
604T32.1Very low36.1Very low91 Ų91110.6 Ų110.656%0.55856%0.56SS**  trans-87.7100.4-177.5-18.20000109L606T604-L606 VanDerWaalsContact C-N 3.27Å; T604-L606 PolarHBondContact O-N 3.01Å
605D36.1Very low36.9Very low156 Ų156107.1 Ų107.183%0.83454%0.537SS*.  trans-61.997162.6-157.21.9000106.3R603 A607R603-D605 PolarHBondContact O-N 3Å; D605-A607 PolarHBondContact O-N 3.1Å
606L38.3Very low37.6Very low63 Ų63107.2 Ų107.233%0.3354%0.535SS..  trans-69.782.4178.7-80.8125.9000107.5L601 T604 L608L601-L606 HydrophobicContact CD2-CD1 3.83Å; T604-L606 VanDerWaalsContact C-N 3.27Å; T604-L606 PolarHBondContact O-N 3.01Å; L606-L608 HydrophobicContact CB-CD1 4.5Å; L606-L608 HydrophobicContact CD2-CD1 3.29Å; L606-L608 HydrophobicContact CD2-CG 3.87Å; L606-L608 HydrophobicContact CG-CD1 4.49Å; L606-L608 PolarHBondContact O-N 3.5Å
607A38.8Very low38.2Very low91 Ų91106.8 Ų106.875%0.75254%0.543SS*.  trans-69.136.7160.900000110.9D605 K609D605-A607 PolarHBondContact O-N 3.1Å; A607-K609 PolarHBondContact O-N 2.9Å; A607-K609 VanDerWaalsContact O-N 3.09Å
608L40.7Very low38.5Very low83 Ų83105.9 Ų105.944%0.43553%0.534SS..  trans-64.7108.9164.9-80.9171.8000106.2L606 D610L606-L608 HydrophobicContact CB-CD1 4.5Å; L606-L608 HydrophobicContact CD2-CD1 3.29Å; L606-L608 HydrophobicContact CD2-CG 3.87Å; L606-L608 HydrophobicContact CG-CD1 4.49Å; L606-L608 PolarHBondContact O-N 3.5Å; L608-D610 PolarHBondContact O-N 2.97Å
609K37.3Very low39.3Very low197 Ų197105.6 Ų105.686%0.85754%0.54SS*.  trans-66.915.1173.4-86.9-172.9171.9-176.30113.7A607 E611A607-K609 PolarHBondContact O-N 2.9Å; A607-K609 VanDerWaalsContact O-N 3.09Å; K609-E611 PolarHBondContact O-N 3.1Å; K609-E611 VanDerWaalsContact O-N 3.16Å
610D40.3Very low40.1Very low81 Ų81102.3 Ų102.343%0.43354%0.537SS..  trans-92.183.9-176.2-66.5-26.8000110.3L608 Y612 I613L608-D610 PolarHBondContact O-N 2.97Å; D610-Y612 PolarHBondContact O-N 3.22Å; D610-I613 HydrophobicContact CB-CD1 4.09Å
611E38.7Very low40.6Very low156 Ų156105.7 Ų105.773%0.72955%0.552SS**THydrogen-bonded Turntrans-58.6-4.2169.4-67.9-177.1156.400113.6K609K609-E611 PolarHBondContact O-N 3.1Å; K609-E611 VanDerWaalsContact O-N 3.16Å
612Y41.7Very low41.2Very low197 Ų197108 Ų10877%0.77356%0.557SS**THydrogen-bonded Turntrans-96.3-12.3-174.6-65.2-77.3000115D610D610-Y612 PolarHBondContact O-N 3.22Å
613I47Very low42Very low55 Ų55105.3 Ų105.328%0.28254%0.544SS..THydrogen-bonded Turntrans-92.3-41.9-177.5-65.5165.3000111.1I565 D610 W626I565-I613 HydrophobicContact CD1-CD1 3.55Å; D610-I613 HydrophobicContact CB-CD1 4.09Å; I613-W626 HydrophobicContact CG2-CH2 4.03Å; I613-W626 HydrophobicContact CG2-CZ3 3.74Å; I613-W626 WeakPolarHBondContact O-CH2 3.19Å; I613-W626 WeakPolarHBondContact O-CZ3 3.47Å
614V45.1Very low42.7Very low21 Ų2198.5 Ų98.513%0.12752%0.518CS..SBendtrans-92.5128.6-178.8-179.20000108.8F616 L618 K623 W626 I627V614-F616 PolarHBondContact O-N 3.3Å; V614-L618 HydrophobicContact CG1-CB 3.78Å; V614-L618 HydrophobicContact CG1-CD1 3.83Å; V614-L618 HydrophobicContact CG1-CG 4.45Å; V614-K623 HydrophobicContact CG1-CB 4.4Å; V614-K623 HydrophobicContact CG1-CD 4.49Å; V614-K623 HydrophobicContact CG1-CG 4Å; V614-K623 HydrophobicContact CG2-CG 4.25Å; V614-W626 HydrophobicContact CG2-CE3 4.19Å; V614-W626 HydrophobicContact CG2-CZ3 4.38Å; V614-I627 HydrophobicContact CG2-CD1 4.06Å; V614-I627 HydrophobicContact CG2-CG1 3.98Å
615P41.8Very low43.4Very low20 Ų2096 Ų9613%0.1350%0.499CS..PPolyproline II helixtrans-47.4130.3173.3-2729.6000112.4P539 L552 G617 L618 W626P539-P615 HydrophobicContact CG-CB 4.12Å; L552-P615 HydrophobicContact CD1-CB 3.73Å; L552-P615 HydrophobicContact CD1-CG 3.73Å; P615-G617 PolarHBondContact O-N 3.17Å; P615-L618 HydrophobicContact CB-CD1 3.69Å; P615-L618 HydrophobicContact CB-CG 4.3Å; P615-L618 HydrophobicContact CG-CD1 3.71Å; P615-L618 WeakPolarHBondContact O-CB 3.28Å; P615-L618 PolarHBondContact O-N 3.3Å; P615-W626 HydrophobicContact CG-CZ2 4.4Å
616F42.2Very low44.2Very low160 Ų16090.9 Ų90.970%0.70247%0.468SS*.THydrogen-bonded Turntrans-55.5136.7-179.7-171-94.2000111.2P539 V614P539-F616 HydrophobicContact CB-CB 4.14Å; P539-F616 HydrophobicContact CG-CB 4.1Å; P539-F616 WeakPolarHBondContact CG-O 3.36Å; V614-F616 PolarHBondContact O-N 3.3Å
617G44.5Very low44.9Very low67 Ų6789.8 Ų89.869%0.69146%0.462SS*.THydrogen-bonded Turntrans91.5-13.8-177.500000115.5P615 S619P615-G617 PolarHBondContact O-N 3.17Å; G617-S619 PolarHBondContact O-N 2.69Å
618L41.1Very low45.3Very low28 Ų2888.5 Ų88.515%0.14744%0.44CS..  trans-71.2119.7170.2-71.5170.1000110.3V614 P615 W622 K623 W626V614-L618 HydrophobicContact CG1-CB 3.78Å; V614-L618 HydrophobicContact CG1-CD1 3.83Å; V614-L618 HydrophobicContact CG1-CG 4.45Å; P615-L618 HydrophobicContact CB-CD1 3.69Å; P615-L618 HydrophobicContact CB-CG 4.3Å; P615-L618 HydrophobicContact CG-CD1 3.71Å; P615-L618 WeakPolarHBondContact O-CB 3.28Å; P615-L618 PolarHBondContact O-N 3.3Å; L618-W622 HydrophobicContact CD2-CB 3.91Å; L618-K623 HydrophobicContact CB-CB 4.4Å; L618-W626 HydrophobicContact CD1-CB 4.18Å; L618-W626 HydrophobicContact CD1-CG 4.09Å
619S50.3Low45.7Very low83 Ų8386.1 Ų86.158%0.5843%0.43SS*.  trans-134.516317963.90000112.1G617 K621 W622G617-S619 PolarHBondContact O-N 2.69Å; S619-K621 PolarHBondContact O-N 3.19Å; S619-W622 WeakPolarHBondContact O-CB 3.24Å; S619-W622 PolarHBondContact O-N 2.84Å
620G51.9Low46.3Very low62 Ų6277.8 Ų77.864%0.63940%0.398SS*.THydrogen-bonded Turntrans59.1-135.6178.800000113.5W622 K623 R624G620-W622 PolarHBondContact O-N 3.26Å; G620-W622 VanDerWaalsContact O-N 3.13Å; G620-K623 PolarHBondContact O-N 3.41Å; G620-R624 PolarHBondContact O-N 2.85Å
621K45.4Very low46.7Very low183 Ų18375.7 Ų75.780%0.79639%0.387SS*.Hα-helixtrans-58.6-27.7-177.5-64.2-174.5178.2-1780112.7S619 R624 Y625S619-K621 PolarHBondContact O-N 3.19Å; K621-R624 PolarHBondContact O-N 3.3Å; K621-Y625 VanDerWaalsContact O-CB 3.3Å; K621-Y625 WeakPolarHBondContact O-CB 2.99Å; K621-Y625 PolarHBondContact O-N 3.04Å
622W44.7Very low47Very low96 Ų9673.2 Ų73.236%0.36437%0.373SS..Hα-helixtrans-70.6-45-177.3-57.1114000113.3T528 L532 L618 S619 G620 R624 Y625 W626T528-W622 HydrophobicContact CG2-CE3 4.05Å; T528-W622 HydrophobicContact CG2-CH2 3.21Å; T528-W622 HydrophobicContact CG2-CZ3 2.94Å; L532-W622 HydrophobicContact CD1-CE3 3.63Å; L532-W622 HydrophobicContact CD1-CZ3 3.5Å; L532-W622 HydrophobicContact CD2-CE3 4.29Å; L532-W622 HydrophobicContact CD2-CZ3 4.04Å; L532-W622 HydrophobicContact CG-CE3 4.27Å; L532-W622 HydrophobicContact CG-CZ3 3.79Å; L618-W622 HydrophobicContact CD2-CB 3.91Å; S619-W622 WeakPolarHBondContact O-CB 3.24Å; S619-W622 PolarHBondContact O-N 2.84Å; G620-W622 PolarHBondContact O-N 3.26Å; G620-W622 VanDerWaalsContact O-N 3.13Å; W622-R624 VanDerWaalsContact C-N 3.34Å; W622-Y625 PolarHBondContact O-N 3.17Å; W622-W626 PolarHBondContact O-N 3.22Å
623K51.1Low47Very low84 Ų8464.7 Ų64.737%0.36534%0.343SS..Hα-helixtrans-58.5-48.6173.1171.1168.8-178.2-177.40110.6V614 L618 G620 Y625 W626 I627V614-K623 HydrophobicContact CG1-CB 4.4Å; V614-K623 HydrophobicContact CG1-CD 4.49Å; V614-K623 HydrophobicContact CG1-CG 4Å; V614-K623 HydrophobicContact CG2-CG 4.25Å; L618-K623 HydrophobicContact CB-CB 4.4Å; G620-K623 PolarHBondContact O-N 3.41Å; K623-Y625 VanDerWaalsContact C-N 3.32Å; K623-Y625 PolarHBondContact O-N 2.81Å; K623-W626 PolarHBondContact O-N 3.01Å; K623-I627 HydrophobicContact CG-CD1 3.99Å; K623-I627 WeakPolarHBondContact O-CD1 3.48Å; K623-I627 VanDerWaalsContact O-CG1 3.28Å; K623-I627 WeakPolarHBondContact O-CG1 3.26Å; K623-I627 PolarHBondContact O-N 2.73Å
624R48Very low46.9Very low95 Ų9565 Ų6536%0.35834%0.341SS..Hα-helixtrans-57.7-46.9178.8-179.5178.6176.3119.9-1.1111.4H602 G620 K621 W622 I627 E628H602-R624 PolarHBondContact CD2-NH2 2.89Å; H602-R624 PolarHBondContact CE1-NH2 3.25Å; H602-R624 PolarHBondContact ND1-NH2 2.69Å; H602-R624 PolarHBondContact NE2-NH2 2.74Å; G620-R624 PolarHBondContact O-N 2.85Å; K621-R624 PolarHBondContact O-N 3.3Å; W622-R624 VanDerWaalsContact C-N 3.34Å; R624-I627 WeakPolarHBondContact O-CB 3.37Å; R624-I627 PolarHBondContact O-N 3.37Å; R624-E628 WeakPolarHBondContact CG-OE1 3.48Å; R624-E628 IonicContact CZ-OE1 3.77Å; R624-E628 IonicContact NE-OE1 3.67Å; R624-E628 PolarHBondContact NE-OE1 3.09Å; R624-E628 IonicContact NH2-OE1 3.43Å; R624-E628 PolarHBondContact NH2-OE1 3.26Å; R624-E628 WeakPolarHBondContact O-CG 3.48Å; R624-E628 PolarHBondContact O-N 2.84Å
625Y47.1Very low46.9Very low38 Ų3867.9 Ų67.915%0.14936%0.358CS..Hα-helixtrans-66-42.6-176.7-170-117.7000113.2N525 H529 K621 W622 K623 I627 E628 C629N525-Y625 HydrophobicContact CB-CE2 4.31Å; H529-Y625 AromaticContact CD2-CE1 3.51Å; H529-Y625 AromaticContact CD2-CZ 3.61Å; H529-Y625 PolarHBondContact CD2-OH 2.95Å; H529-Y625 AromaticContact CE1-CD1 3.9Å; H529-Y625 AromaticContact CE1-CE1 3.07Å; H529-Y625 WeakPolarHBondContact CE1-CE1 3.25Å; H529-Y625 AromaticContact CE1-CZ 3.68Å; H529-Y625 AromaticContact CG-CE1 3.84Å; H529-Y625 AromaticContact ND1-CE1 3.59Å; H529-Y625 AromaticContact NE2-CE1 2.99Å; H529-Y625 WeakPolarHBondContact NE2-CE1 3.37Å; H529-Y625 AromaticContact NE2-CZ 3.09Å; H529-Y625 PolarHBondContact NE2-OH 3.27Å; K621-Y625 VanDerWaalsContact O-CB 3.3Å; K621-Y625 WeakPolarHBondContact O-CB 2.99Å; K621-Y625 PolarHBondContact O-N 3.04Å; W622-Y625 PolarHBondContact O-N 3.17Å; K623-Y625 VanDerWaalsContact C-N 3.32Å; K623-Y625 PolarHBondContact O-N 2.81Å; Y625-I627 VanDerWaalsContact C-N 3.26Å; Y625-I627 PolarHBondContact O-N 2.91Å; Y625-E628 PolarHBondContact O-N 3.41Å; Y625-C629 PolarHBondContact O-N 3.21Å; Y625-C629 PolarHBondContact O-SG 3.35Å; Y625-C629 VanDerWaalsContact O-SG 3.41Å
626W53Low46.8Very low48 Ų4871.1 Ų71.118%0.18238%0.375CS..Hα-helixtrans-57.4-42.4174.5-173.396.3000111.6I613 V614 P615 L618 W622 K623 C629 A630I613-W626 HydrophobicContact CG2-CH2 4.03Å; I613-W626 HydrophobicContact CG2-CZ3 3.74Å; I613-W626 WeakPolarHBondContact O-CH2 3.19Å; I613-W626 WeakPolarHBondContact O-CZ3 3.47Å; V614-W626 HydrophobicContact CG2-CE3 4.19Å; V614-W626 HydrophobicContact CG2-CZ3 4.38Å; P615-W626 HydrophobicContact CG-CZ2 4.4Å; L618-W626 HydrophobicContact CD1-CB 4.18Å; L618-W626 HydrophobicContact CD1-CG 4.09Å; W622-W626 PolarHBondContact O-N 3.22Å; K623-W626 PolarHBondContact O-N 3.01Å; W626-C629 PolarHBondContact O-N 3.23Å; W626-A630 HydrophobicContact CE3-CB 4.46Å; W626-A630 HydrophobicContact CH2-CB 4.49Å; W626-A630 HydrophobicContact CZ3-CB 4.16Å; W626-A630 PolarHBondContact O-N 2.81Å
627I51.6Low46.6Very low40 Ų4069 Ų6921%0.20537%0.37CS..Hα-helixtrans-63.6-45.9176.6-65.2165.1000110.8V614 K623 R624 Y625 C629 A630 I631V614-I627 HydrophobicContact CG2-CD1 4.06Å; V614-I627 HydrophobicContact CG2-CG1 3.98Å; K623-I627 HydrophobicContact CG-CD1 3.99Å; K623-I627 WeakPolarHBondContact O-CD1 3.48Å; K623-I627 VanDerWaalsContact O-CG1 3.28Å; K623-I627 WeakPolarHBondContact O-CG1 3.26Å; K623-I627 PolarHBondContact O-N 2.73Å; R624-I627 WeakPolarHBondContact O-CB 3.37Å; R624-I627 PolarHBondContact O-N 3.37Å; Y625-I627 VanDerWaalsContact C-N 3.26Å; Y625-I627 PolarHBondContact O-N 2.91Å; I627-C629 VanDerWaalsContact C-N 3.33Å; I627-C629 PolarHBondContact O-N 3.25Å; I627-A630 PolarHBondContact O-N 2.9Å; I627-I631 HydrophobicContact CG2-CD1 3.73Å; I627-I631 HydrophobicContact CG2-CG1 4.4Å; I627-I631 VanDerWaalsContact O-CG1 3.31Å; I627-I631 WeakPolarHBondContact O-CG1 3.37Å; I627-I631 PolarHBondContact O-N 3.33Å
628E48.5Very low46Very low65 Ų6570.6 Ų70.630%0.30436%0.363SS..Hα-helixtrans-59.4-42.4178.3-73.3174.6-176.700111.9R624 Y625 I631 K632R624-E628 WeakPolarHBondContact CG-OE1 3.48Å; R624-E628 IonicContact CZ-OE1 3.77Å; R624-E628 IonicContact NE-OE1 3.67Å; R624-E628 PolarHBondContact NE-OE1 3.09Å; R624-E628 IonicContact NH2-OE1 3.43Å; R624-E628 PolarHBondContact NH2-OE1 3.26Å; R624-E628 WeakPolarHBondContact O-CG 3.48Å; R624-E628 PolarHBondContact O-N 2.84Å; Y625-E628 PolarHBondContact O-N 3.41Å; E628-I631 PolarHBondContact O-N 3.14Å; E628-K632 WeakPolarHBondContact O-CG 3.02Å; E628-K632 PolarHBondContact O-N 3.33Å
629C47.5Very low45.5Very low33 Ų3372.4 Ų72.422%0.22339%0.388CS..Hα-helixtrans-64.7-43.5175-67.60000112.4H529 Y625 W626 I627 I631 K632 S633H529-C629 PolarHBondContact CE1-SG 3.45Å; Y625-C629 PolarHBondContact O-N 3.21Å; Y625-C629 PolarHBondContact O-SG 3.35Å; Y625-C629 VanDerWaalsContact O-SG 3.41Å; W626-C629 PolarHBondContact O-N 3.23Å; I627-C629 VanDerWaalsContact C-N 3.33Å; I627-C629 PolarHBondContact O-N 3.25Å; C629-I631 VanDerWaalsContact C-N 3.31Å; C629-I631 PolarHBondContact O-N 3.29Å; C629-K632 PolarHBondContact O-N 3.19Å; C629-S633 PolarHBondContact O-N 3.48Å; C629-S633 PolarHBondContact O-OG 2.83Å
630A49.8Very low44.5Very low22 Ų2273 Ų7318%0.18239%0.392CS..Hα-helixtrans-59.9-42.8177.400000111.3W626 I627 S633 Y634W626-A630 HydrophobicContact CE3-CB 4.46Å; W626-A630 HydrophobicContact CH2-CB 4.49Å; W626-A630 HydrophobicContact CZ3-CB 4.16Å; W626-A630 PolarHBondContact O-N 2.81Å; I627-A630 PolarHBondContact O-N 2.9Å; A630-S633 PolarHBondContact O-OG 2.87Å; A630-Y634 PolarHBondContact O-N 3.15Å
631I48.8Very low43.3Very low37 Ų3777.6 Ų77.619%0.1940%0.402CS..Hα-helixtrans-65.5-46.9177.2-66.1167.5000111.5L566 L601 I627 E628 C629 S633 Y634 T635L566-I631 HydrophobicContact CD2-CG1 4.47Å; L601-I631 HydrophobicContact CD1-CD1 4.17Å; I627-I631 HydrophobicContact CG2-CD1 3.73Å; I627-I631 HydrophobicContact CG2-CG1 4.4Å; I627-I631 VanDerWaalsContact O-CG1 3.31Å; I627-I631 WeakPolarHBondContact O-CG1 3.37Å; I627-I631 PolarHBondContact O-N 3.33Å; E628-I631 PolarHBondContact O-N 3.14Å; C629-I631 VanDerWaalsContact C-N 3.31Å; C629-I631 PolarHBondContact O-N 3.29Å; I631-S633 VanDerWaalsContact C-N 3.32Å; I631-S633 PolarHBondContact O-N 2.87Å; I631-Y634 WeakPolarHBondContact O-CB 3.39Å; I631-Y634 PolarHBondContact O-N 2.72Å; I631-T635 PolarHBondContact O-N 3Å; I631-T635 VanDerWaalsContact O-N 3.08Å
632K46.4Very low42.3Very low103 Ų10372.9 Ų72.945%0.44839%0.392SS..Hα-helixtrans-60.2-40.8179.6-77.6-179.1178.7-177.50112.7E628 C629 Y634 T635 N636E628-K632 WeakPolarHBondContact O-CG 3.02Å; E628-K632 PolarHBondContact O-N 3.33Å; C629-K632 PolarHBondContact O-N 3.19Å; K632-Y634 PolarHBondContact O-N 3.27Å; K632-T635 PolarHBondContact O-N 3.38Å; K632-T635 PolarHBondContact O-OG1 3.2Å; K632-N636 PolarHBondContact O-N 3.23Å; K632-N636 VanDerWaalsContact O-N 3.17Å
633S41.7Very low41.4Very low19 Ų1976 Ų7613%0.13342%0.416CS..Hα-helixtrans-62.2-29.6175.9720000112.8R554 C629 A630 I631R554-S633 PolarHBondContact NH1-OG 2.83Å; C629-S633 PolarHBondContact O-N 3.48Å; C629-S633 PolarHBondContact O-OG 2.83Å; A630-S633 PolarHBondContact O-OG 2.87Å; I631-S633 VanDerWaalsContact C-N 3.32Å; I631-S633 PolarHBondContact O-N 2.87Å
634Y43.8Very low40.1Very low62 Ų6281.5 Ų81.524%0.24344%0.443CS..Hα-helixtrans-75.8-43.5176.3-173.2-95.7000112.4K563 L566 A630 I631 K632 N636 N637K563-Y634 HydrophobicContact CG-CE2 4.15Å; L566-Y634 HydrophobicContact CB-CE1 4.22Å; L566-Y634 HydrophobicContact CD1-CD1 3.52Å; L566-Y634 HydrophobicContact CD1-CD2 3.39Å; L566-Y634 HydrophobicContact CD1-CE1 3.72Å; L566-Y634 HydrophobicContact CD1-CE2 3.61Å; L566-Y634 HydrophobicContact CD1-CG 3.32Å; A630-Y634 PolarHBondContact O-N 3.15Å; I631-Y634 WeakPolarHBondContact O-CB 3.39Å; I631-Y634 PolarHBondContact O-N 2.72Å; K632-Y634 PolarHBondContact O-N 3.27Å; Y634-N636 PolarHBondContact O-N 3.06Å; Y634-N637 PolarHBondContact O-N 3.08Å
635T44.7Very low38.9Very low81 Ų8186.4 Ų86.450%0.49747%0.467SS..Hα-helixtrans-62.6-34.3179510000112.1I631 K632I631-T635 PolarHBondContact O-N 3Å; I631-T635 VanDerWaalsContact O-N 3.08Å; K632-T635 PolarHBondContact O-N 3.38Å; K632-T635 PolarHBondContact O-OG1 3.2Å
636N41.1Very low37.8Very low88 Ų8893.1 Ų93.147%0.47150%0.504SS..Hα-helixtrans-70.5-32.4-179.8-128.3-3.6000112.6K632 Y634 G639K632-N636 PolarHBondContact O-N 3.23Å; K632-N636 VanDerWaalsContact O-N 3.17Å; Y634-N636 PolarHBondContact O-N 3.06Å; N636-G639 PolarHBondContact O-N 3.15Å
637N37.3Very low36.4Very low115 Ų11598.3 Ų98.362%0.61554%0.535SS*.Hα-helixtrans-75.9-24.3-178.8-80.5-15.5000114.3Y634 G639Y634-N637 PolarHBondContact O-N 3.08Å; N637-G639 VanDerWaalsContact C-N 3.28Å; N637-G639 PolarHBondContact O-N 3.49Å
638N32Very low35.1Very low100 Ų100103 Ų10354%0.53556%0.56SS.*Hα-helixtrans-78.2-12.4174.5-77.2-21.4000113.2S640N638-S640 VanDerWaalsContact C-N 3.33Å
639G31.3Very low34Very low66 Ų66107.5 Ų107.568%0.6858%0.581SS**THydrogen-bonded Turntrans-74.1-18.4175.500000114.7N636 N637N636-G639 PolarHBondContact O-N 3.15Å; N637-G639 VanDerWaalsContact C-N 3.28Å; N637-G639 PolarHBondContact O-N 3.49Å
640S29.1Very low33Very low95 Ų95115 Ų11566%0.66461%0.61SS**THydrogen-bonded Turntrans-109.118-168.8-160.30000115.2N638 S642N638-S640 VanDerWaalsContact C-N 3.33Å; S640-S642 PolarHBondContact O-N 3.26Å
641L26.7Very low31.7Very low159 Ų159123.1 Ų123.183%0.83264%0.644SS**  trans-76.818.1179.3-124.283000115.1
642S24.5Very low30.5Very low85 Ų85126.2 Ų126.259%0.59467%0.665SS**SBendtrans-119.796.9167.660.30000109.3S640S640-S642 PolarHBondContact O-N 3.26Å
643N24.6Very low29.4Very low162 Ų162129.1 Ų129.187%0.86669%0.685SS**  trans142.757.2158.7-71.4-24.9000112.2
644Q24.3Very low28.6Very low198 Ų198134.6 Ų134.693%0.92571%0.713SS**  trans-103.586.7158.2-78.8-172-3.300108.9
645K22.4Very low27.7Very low198 Ų198136.1 Ų136.186%0.86174%0.739SS**  trans-166.377.8162.6-116-179.6-175.4-178.90111
646L25.1Very low26.9Very low180 Ų180139.7 Ų139.794%0.94275%0.754SS**  trans-163.8123.4138.2-138.874.7000110.2
647L22.9Very low26.2Very low157 Ų157142.6 Ų142.682%0.82277%0.77SS**  trans-74.8133.5168.2-68.5146.6000108.7
648N24.6Very low26.2Very low137 Ų137142.1 Ų142.173%0.73378%0.775SS**  158130.3128.3-86.9-4.5000113
649E25.1Very low26.4Very low160 Ų160144.7 Ų144.775%0.74879%0.789SS**  trans52.699.9135.7-58.9-178.9165.600119.6
650K26Very low26.6Very low191 Ų191144.8 Ų144.883%0.8377%0.774SS**  164.7129.9105.9-94.1172178.7175.20109.5T652K650-T652 PolarHBondContact O-N 2.72Å
651Q22.3Very low27Very low192 Ų192143.2 Ų143.290%0.89776%0.761SS**  trans-65.6108.9167.9-70.6165.5-7.900108.9
652T25.3Very low27.6Very low103 Ų103138.7 Ų138.763%0.63274%0.738SS**  trans-124.1126.715261.20000107.7K650 D654K650-T652 PolarHBondContact O-N 2.72Å; T652-D654 PolarHBondContact O-N 3.07Å; T652-D654 PolarHBondContact OG1-OD2 3.39Å
653N22.8Very low28.8Very low163 Ų163141.4 Ų141.487%0.87274%0.741SS**  trans-76.857.5-176.7-71.1-35000111A655N653-A655 VanDerWaalsContact C-N 3.29Å; N653-A655 PolarHBondContact O-N 2.78Å
654D24.6Very low30.2Very low135 Ų135136.5 Ų136.572%0.72271%0.713SS**  trans-92.267176.5-62.4-44.5000109.6T652 L656T652-D654 PolarHBondContact O-N 3.07Å; T652-D654 PolarHBondContact OG1-OD2 3.39Å; D654-L656 VanDerWaalsContact C-N 3.27Å; D654-L656 PolarHBondContact O-N 2.91Å
655A25.9Very low31.8Very low94 Ų94128.8 Ų128.878%0.77768%0.678SS**  trans-9056.117200000110.7N653N653-A655 VanDerWaalsContact C-N 3.29Å; N653-A655 PolarHBondContact O-N 2.78Å
656L27.2Very low33.8Very low155 Ų155122 Ų12281%0.81266%0.659SS**SBendtrans-148.5133.8165.8-72.3177.1000108.4D654D654-L656 VanDerWaalsContact C-N 3.27Å; D654-L656 PolarHBondContact O-N 2.91Å
657N27.2Very low35.8Very low150 Ų150117.3 Ų117.380%0.80264%0.637SS**  trans90.447.8173.4-59.3-15.6000119.2
658S35.3Very low38.1Very low105 Ų105112.9 Ų112.973%0.73461%0.613SS**  trans-121.376.9148.3157.60000107.5N660S658-N660 PolarHBondContact O-N 3.33Å
659D36.2Very low40.7Very low154 Ų154110.4 Ų110.482%0.82461%0.605SS**  trans-67.265.9169.4-80.2-25.6000109.1P661D659-P661 WeakPolarHBondContact O-CD 3.43Å
660N36.4Very low43.5Very low67 Ų67104.8 Ų104.836%0.35858%0.578SS.*  trans-73.6109.8163.9-172.6-8.1000105.9S658 D662 Q663S658-N660 PolarHBondContact O-N 3.33Å; N660-D662 PolarHBondContact O-N 3.01Å; N660-D662 PolarHBondContact OD1-N 3.47Å; N660-Q663 PolarHBondContact O-N 3.07Å
661P37.4Very low46.3Very low62 Ų62101.2 Ų101.240%0.40356%0.56SS.*THydrogen-bonded Turntrans-56.6-26.2-178.223.8-33.2000111.3D659 Q663 H664D659-P661 WeakPolarHBondContact O-CD 3.43Å; P661-Q663 VanDerWaalsContact C-N 3.33Å; P661-Q663 PolarHBondContact O-N 3.26Å; P661-H664 PolarHBondContact O-CD2 3.46Å; P661-H664 PolarHBondContact O-CE1 3.02Å; P661-H664 PolarHBondContact O-ND1 3.31Å; P661-H664 VanDerWaalsContact O-ND1 3.13Å; P661-H664 PolarHBondContact O-NE2 2.98Å
662D40.5Very low49.1Very low65 Ų6592.6 Ų92.635%0.34852%0.521SS..THydrogen-bonded Turntrans-78.1-7.1-172.8-66.3-26.3000115.7N660 H664N660-D662 PolarHBondContact O-N 3.01Å; N660-D662 PolarHBondContact OD1-N 3.47Å; D662-H664 PolarHBondContact O-N 2.67Å
663Q47.9Very low51.9Low142 Ų14291.3 Ų91.366%0.66451%0.51SS*.  trans-96.465.4173.6-81178.5-2.400111.3N660 P661 L665N660-Q663 PolarHBondContact O-N 3.07Å; P661-Q663 VanDerWaalsContact C-N 3.33Å; P661-Q663 PolarHBondContact O-N 3.26Å; Q663-L665 PolarHBondContact O-N 2.76Å
664H53.8Low54.9Low58 Ų5885.8 Ų85.827%0.26948%0.482SS..  trans-77.5-10.7-172.9-74.4-60.3000116H529 P661 D662H529-H664 AromaticContact CD2-CD2 3.36Å; H529-H664 PolarHBondContact CD2-CD2 3.15Å; H529-H664 AromaticContact CD2-CE1 3.94Å; H529-H664 AromaticContact CD2-CG 3.64Å; H529-H664 AromaticContact CD2-ND1 3.99Å; H529-H664 AromaticContact CD2-NE2 3.53Å; H529-H664 AromaticContact CE1-CD2 3.82Å; H529-H664 AromaticContact CE1-CG 3.97Å; H529-H664 AromaticContact CG-CG 3.89Å; H529-H664 AromaticContact NE2-CD2 3.17Å; H529-H664 PolarHBondContact NE2-CD2 3.31Å; H529-H664 AromaticContact NE2-CG 3.69Å; H529-H664 AromaticContact NE2-NE2 3.74Å; P661-H664 PolarHBondContact O-CD2 3.46Å; P661-H664 PolarHBondContact O-CE1 3.02Å; P661-H664 PolarHBondContact O-ND1 3.31Å; P661-H664 VanDerWaalsContact O-ND1 3.13Å; P661-H664 PolarHBondContact O-NE2 2.98Å; D662-H664 PolarHBondContact O-N 2.67Å
665L59.6Low58Low37 Ų3783.8 Ų83.819%0.19447%0.47CS..SBendtrans-129.2140.4174.2-62178.6000110.4A533 L552 Q663A533-L665 HydrophobicContact CB-CD2 3.85Å; L552-L665 HydrophobicContact CG-CD1 4.38Å; L552-L665 WeakPolarHBondContact O-CD2 3.47Å; Q663-L665 PolarHBondContact O-N 2.76Å
666A64Low61.1Low56 Ų5680.6 Ų80.646%0.46344%0.44SS..  trans-64.1136.7175.600000111.1H553 R554 M668H553-A666 WeakPolarHBondContact CB-O 3.2Å; R554-A666 PolarHBondContact N-O 3.44Å; A666-M668 HydrophobicContact CB-CE 3.94Å; A666-M668 HydrophobicContact CB-CG 4.33Å; A666-M668 HydrophobicContact CB-SD 4.38Å
667V66.9Low64.3Low80 Ų8076.5 Ų76.549%0.48542%0.418SS..BIsolated β-bridgetrans-93105.3175.6-175.40000108.7R554 P556R554-V667 HydrophobicContact CB-CG2 4.19Å; R554-V667 HydrophobicContact CG-CG2 4.42Å; R554-V667 CarbonylContact O-C 3.49Å; R554-V667 VanDerWaalsContact O-CA 3.28Å; R554-V667 WeakPolarHBondContact O-CA 3.38Å; P556-V667 HydrophobicContact CB-CG1 4.26Å; P556-V667 HydrophobicContact CG-CG1 4.05Å
668M71.2Confident67.4Low64 Ų6469.9 Ų69.932%0.31538%0.383SS..  trans-145.3145.5-175.9-62.3-174-60.600111Y550 H553 R554 P556 A666Y550-M668 HydrophobicContact CD1-CE 4.13Å; Y550-M668 HydrophobicContact CD2-CE 4.2Å; Y550-M668 HydrophobicContact CE1-CE 4.47Å; Y550-M668 HydrophobicContact CE2-CB 4.48Å; Y550-M668 HydrophobicContact CG-CE 4Å; H553-M668 HydrophobicContact CB-CE 4.42Å; H553-M668 PolarHBondContact CE1-O 2.83Å; H553-M668 PolarHBondContact ND1-O 3.28Å; R554-M668 PolarHBondContact O-N 3.41Å; P556-M668 VanDerWaalsContact CD-C 3.48Å; P556-M668 WeakPolarHBondContact CD-O 3.43Å; A666-M668 HydrophobicContact CB-CE 3.94Å; A666-M668 HydrophobicContact CB-CG 4.33Å; A666-M668 HydrophobicContact CB-SD 4.38Å
669P78.1Confident70.3Confident85 Ų8564.9 Ų64.955%0.55235%0.348SS*.  trans-66.9154.2171.129.9-34.3000110.6Y550Y550-P669 WeakPolarHBondContact CE2-O 3.18Å
670H84Confident73Confident42 Ų4257.5 Ų57.519%0.19431%0.309CS..  trans-61.6153.5173.6-66-52.5000112C538 C548 H553 V555 F693C538-H670 PolarHBondContact SG-CE1 2.76Å; C548-H670 HydrophobicContact CB-CB 4.44Å; H553-H670 AromaticContact CE1-CE1 3.61Å; H553-H670 AromaticContact CE1-ND1 3.18Å; H553-H670 PolarHBondContact CE1-ND1 3.39Å; H553-H670 AromaticContact NE2-CE1 3.53Å; H553-H670 AromaticContact NE2-ND1 2.94Å; H553-H670 PolarHBondContact NE2-ND1 3.46Å; V555-H670 VanDerWaalsContact CG2-NE2 3.26Å; V555-H670 WeakPolarHBondContact CG2-NE2 3.41Å; H670-F693 HydrophobicContact CB-CB 3.99Å; H670-F693 HydrophobicContact CB-CD1 3.57Å; H670-F693 HydrophobicContact CB-CD2 3.4Å; H670-F693 HydrophobicContact CB-CE1 3.76Å; H670-F693 HydrophobicContact CB-CE2 3.62Å; H670-F693 HydrophobicContact CB-CG 3.35Å; H670-F693 HydrophobicContact CB-CZ 3.78Å; H670-F693 AromaticContact CG-CD1 3.97Å
671R84.8Confident75.7Confident117 Ų11754.4 Ų54.444%0.44229%0.292SS..  trans-150.7131.7-177.5-179178177.8-176.1-4.9111.2C548 Q549 Y550 D673C548-R671 CarbonylContact C-O 3.56Å; C548-R671 WeakPolarHBondContact CA-O 3.34Å; Q549-R671 PolarHBondContact N-O 3.24Å; Y550-R671 HydrophobicContact CD2-CB 4.04Å; Y550-R671 HydrophobicContact CE2-CB 3.48Å; Y550-R671 VanDerWaalsContact CE2-CB 3.48Å; Y550-R671 HydrophobicContact CE2-CG 4.41Å; Y550-R671 WeakPolarHBondContact OH-CD 3.41Å; Y550-R671 PolarHBondContact OH-NH1 3.31Å; R671-D673 IonicContact CZ-OD1 3.94Å; R671-D673 IonicContact NE-OD1 3.46Å; R671-D673 PolarHBondContact NE-OD1 3.31Å; R671-D673 IonicContact NH2-OD1 3.53Å; R671-D673 PolarHBondContact NH2-OD1 2.87Å
672S82.8Confident78.4Confident11 Ų1151.4 Ų51.48%0.07727%0.273CS..  trans-116.32.3174.861.70000113.9Q549 V674 D691Q549-S672 PolarHBondContact NE2-O 2.86Å; S672-V674 PolarHBondContact O-N 3.14Å; S672-V674 PolarHBondContact OG-N 2.91Å; S672-D691 WeakPolarHBondContact CB-OD2 3.43Å; S672-D691 WeakPolarHBondContact OG-CB 3.42Å; S672-D691 VanDerWaalsContact OG-CG 3.28Å; S672-D691 PolarHBondContact OG-OD2 3.24Å
673D84Confident80.9Confident75 Ų7548.3 Ų48.340%0.40126%0.257SS..  trans56.8-1.1-166.9-73.4-25.8000116.5Q549 R671 I675Q549-D673 VanDerWaalsContact CD-CG 3.41Å; Q549-D673 VanDerWaalsContact NE2-CB 3.26Å; Q549-D673 PolarHBondContact NE2-OD2 3.47Å; Q549-D673 PolarHBondContact OE1-OD1 3.18Å; Q549-D673 PolarHBondContact OE1-OD2 3.03Å; R671-D673 IonicContact CZ-OD1 3.94Å; R671-D673 IonicContact NE-OD1 3.46Å; R671-D673 PolarHBondContact NE-OD1 3.31Å; R671-D673 IonicContact NH2-OD1 3.53Å; R671-D673 PolarHBondContact NH2-OD1 2.87Å; D673-I675 PolarHBondContact O-N 3.38Å
674V85.8Confident82.9Confident47 Ų4747 Ų4729%0.28525%0.245SC..  trans-74.8123.5174.9174.40000109.5Q546 S672 M676 D691Q546-V674 HydrophobicContact CG-CG2 3.86Å; S672-V674 PolarHBondContact O-N 3.14Å; S672-V674 PolarHBondContact OG-N 2.91Å; V674-M676 HydrophobicContact CG1-CG 4.36Å; V674-D691 HydrophobicContact CB-CB 3.96Å; V674-D691 HydrophobicContact CG1-CB 4.34Å; V674-D691 WeakPolarHBondContact O-CB 3.5Å; V674-D691 PolarHBondContact O-N 2.99Å; V674-D691 VanDerWaalsContact O-N 3.1Å
675I89.9Confident84.7Confident94 Ų9448.1 Ų48.148%0.48225%0.251SS..EExtended strand (participates in β ladder)trans-114.4127.7176.6-70.3161.5000108.1D673 E688D673-I675 PolarHBondContact O-N 3.38Å; I675-E688 VanDerWaalsContact CD1-OE1 3.24Å; I675-E688 WeakPolarHBondContact CD1-OE1 3.1Å; I675-E688 HydrophobicContact CG2-CG 3.17Å; I675-E688 WeakPolarHBondContact CG2-OE1 3.48Å
676M90.6Very high86.3Confident26 Ų2648.4 Ų48.413%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-110.3162.6175.6-59.4-178.2-70.700110.1V674 R689 P692 S1039V674-M676 HydrophobicContact CG1-CG 4.36Å; M676-R689 HydrophobicContact CB-CB 4.42Å; M676-R689 HydrophobicContact CE-CG 4.34Å; M676-R689 PolarHBondContact N-O 2.86Å; M676-R689 PolarHBondContact O-N 2.96Å; M676-P692 VanDerWaalsContact CE-CD 3.5Å; M676-P692 HydrophobicContact CE-CG 4.47Å; M676-S1039 WeakPolarHBondContact CA-O 3.27Å
677I93.4Very high87.7Confident70 Ų7046.9 Ų46.936%0.35924%0.239SC..EExtended strand (participates in β ladder)trans-109.3127.1168.1-60.3175.6000107.7Q686 S1039I677-Q686 HydrophobicContact CG2-CB 4.12Å; I677-S1039 PolarHBondContact N-O 2.8Å
678S93.9Very high89Confident10 Ų1049.5 Ų49.57%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-135.2147.2178.4-70.30000111.2A687 R689 E1037S678-A687 PolarHBondContact N-O 3.12Å; S678-A687 PolarHBondContact O-N 2.83Å; S678-R689 WeakPolarHBondContact OG-CD 3.31Å; S678-E1037 WeakPolarHBondContact CA-OE1 3.32Å
679S95Very high89.9Confident0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-87151.8177.5-450000110.8Q685 Q686 Y703 E1037 R1130S679-Q685 CarbonylContact C-O 3.58Å; S679-Q685 VanDerWaalsContact CA-O 3.3Å; S679-Q685 WeakPolarHBondContact CA-O 3.22Å; S679-Q686 WeakPolarHBondContact OG-CG 3.19Å; S679-Q686 PolarHBondContact OG-NE2 3.11Å; S679-Y703 WeakPolarHBondContact O-CE1 3.27Å; S679-E1037 WeakPolarHBondContact CB-OE1 3.38Å; S679-E1037 PolarHBondContact N-OE1 2.99Å; S679-E1037 PolarHBondContact OG-OE1 2.75Å; S679-R1130 VanDerWaalsContact C-NH2 3.32Å; S679-R1130 PolarHBondContact O-NH2 3.28Å
680C94.1Very high90.5Very high0 Ų046 Ų460%023%0.229CC..  trans-64.7175.2175.769.70000112.1C682 G683 Q685 L706 C710 R1130C680-C682 PolarHBondContact O-N 3.44Å; C680-C682 PolarHBondContact SG-SG 3.47Å; C680-G683 PolarHBondContact O-N 3.14Å; C680-Q685 PolarHBondContact N-O 3.43Å; C680-L706 HydrophobicContact CB-CB 3.96Å; C680-L706 HydrophobicContact CB-CD1 3.92Å; C680-C710 VanDerWaalsContact SG-SG 3.62Å; C680-R1130 PolarHBondContact O-NE 3.25Å; C680-R1130 VanDerWaalsContact O-NE 3.08Å; C680-R1130 PolarHBondContact O-NH2 3.01Å
681G91.5Very high90.8Very high1 Ų144.2 Ų44.21%0.0122%0.221CC..THydrogen-bonded Turntrans-56.1-34.9-179.100000114.4
682C94.1Very high90.9Very high0 Ų038.9 Ų38.90%020%0.202CC..THydrogen-bonded Turntrans-89.5-6.2177.178.50000114.2C680 R684 C711 L714 Y959 L961 V1229C680-C682 PolarHBondContact O-N 3.44Å; C680-C682 PolarHBondContact SG-SG 3.47Å; C682-R684 VanDerWaalsContact C-N 3.32Å; C682-R684 PolarHBondContact O-N 2.92Å; C682-C711 PolarHBondContact N-SG 2.77Å; C682-C711 VanDerWaalsContact N-SG 3.41Å; C682-C711 VanDerWaalsContact SG-SG 3.67Å; C682-L714 HydrophobicContact CB-CD1 3.48Å; C682-L714 VanDerWaalsContact CB-CD1 3.48Å; C682-Y959 HydrophobicContact CB-CD2 4.22Å; C682-Y959 HydrophobicContact CB-CG 4.37Å; C682-L961 HydrophobicContact CB-CD2 3.67Å; C682-V1229 HydrophobicContact CB-CG1 4.19Å
683G93Very high91.1Very high0 Ų039.6 Ų39.60%020%0.203CC..SBendtrans74.38.717800000116.1C680 R1043C680-G683 PolarHBondContact O-N 3.14Å; G683-R1043 PolarHBondContact O-NH1 2.83Å; G683-R1043 PolarHBondContact O-NH2 2.83Å
684R91.6Very high91Very high114 Ų11438.9 Ų38.943%0.4320%0.2SC..SBendtrans-80.3-37.8179.2-73.9-177.4170.7167.21.9114.1C682 L961C682-R684 VanDerWaalsContact C-N 3.32Å; C682-R684 PolarHBondContact O-N 2.92Å; R684-L961 HydrophobicContact CG-CD2 4.43Å; R684-L961 PolarHBondContact NH2-O 3.14Å
685Q90.7Very high90.7Very high82 Ų8238.6 Ų38.638%0.38319%0.194SC..  trans-114135.6-176.2-175.560.150.900109.8S679 C680 C710S679-Q685 CarbonylContact C-O 3.58Å; S679-Q685 VanDerWaalsContact CA-O 3.3Å; S679-Q685 WeakPolarHBondContact CA-O 3.22Å; C680-Q685 PolarHBondContact N-O 3.43Å; Q685-C710 HydrophobicContact CB-CB 4.29Å
686Q92.9Very high90.3Very high42 Ų4235.6 Ų35.620%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-100.6145.2167.7-73.6-176.7-41.200109.7I677 S679 G1041I677-Q686 HydrophobicContact CG2-CB 4.12Å; S679-Q686 WeakPolarHBondContact OG-CG 3.19Å; S679-Q686 PolarHBondContact OG-NE2 3.11Å; Q686-G1041 PolarHBondContact NE2-O 3.08Å
687A93.6Very high90.1Very high25 Ų2536.9 Ų36.921%0.20718%0.183CC..EExtended strand (participates in β ladder)trans-143157.2174.900000110.3S678 F702 L706S678-A687 PolarHBondContact N-O 3.12Å; S678-A687 PolarHBondContact O-N 2.83Å; A687-F702 HydrophobicContact CB-CE2 4.32Å; A687-F702 HydrophobicContact CB-CZ 4.36Å; A687-L706 HydrophobicContact CB-CD1 3.95Å; A687-L706 HydrophobicContact CB-CD2 3.71Å; A687-L706 HydrophobicContact CB-CG 4.41Å
688E93.8Very high89.8Confident134 Ų13433.5 Ų33.563%0.62617%0.166SC*.EExtended strand (participates in β ladder)trans-62.6138.1168-165.8179.6148.100110.1I675I675-E688 VanDerWaalsContact CD1-OE1 3.24Å; I675-E688 WeakPolarHBondContact CD1-OE1 3.1Å; I675-E688 HydrophobicContact CG2-CG 3.17Å; I675-E688 WeakPolarHBondContact CG2-OE1 3.48Å
689R91.6Very high89.7Confident4 Ų433.1 Ų33.12%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-134.6123-175.9-180173.4-171.9144.416.8109.8M676 S678 E697 A698 F702 Y703M676-R689 HydrophobicContact CB-CB 4.42Å; M676-R689 HydrophobicContact CE-CG 4.34Å; M676-R689 PolarHBondContact N-O 2.86Å; M676-R689 PolarHBondContact O-N 2.96Å; S678-R689 WeakPolarHBondContact OG-CD 3.31Å; R689-E697 PolarHBondContact NH2-O 2.86Å; R689-A698 PolarHBondContact NH1-O 2.87Å; R689-A698 PolarHBondContact NH2-O 3.15Å; R689-F702 HydrophobicContact CB-CD2 3.88Å; R689-F702 HydrophobicContact CB-CE2 3.53Å; R689-F702 HydrophobicContact CB-CZ 4.08Å; R689-F702 HydrophobicContact CG-CD2 3.67Å; R689-F702 HydrophobicContact CG-CE2 3.85Å; R689-F702 HydrophobicContact CG-CG 4.14Å; R689-F702 HydrophobicContact CG-CZ 4.44Å; R689-F702 VanDerWaalsContact NH1-CD1 3.28Å; R689-Y703 PolarHBondContact NH1-OH 2.88Å
690S89.6Confident89.2Confident73 Ų7336.2 Ų36.251%0.5117%0.174SC..EExtended strand (participates in β ladder)trans-63.5149.1169.7-49.90000111.6P692S690-P692 VanDerWaalsContact O-CD 3.31Å; S690-P692 WeakPolarHBondContact O-CD 3.45Å
691D89.3Confident88.9Confident4 Ų440.5 Ų40.52%0.02119%0.19CC..  trans-61.8113.4171.4-175.122.9000111.7S542 S544 S672 V674 F693S542-D691 VanDerWaalsContact CB-CG 3.45Å; S542-D691 WeakPolarHBondContact CB-OD2 3.45Å; S542-D691 VanDerWaalsContact OG-CG 3.24Å; S542-D691 PolarHBondContact OG-OD1 2.84Å; S542-D691 PolarHBondContact OG-OD2 3.12Å; S544-D691 WeakPolarHBondContact CB-OD1 3.18Å; S544-D691 PolarHBondContact OG-OD1 3.21Å; S544-D691 PolarHBondContact OG-OD2 3.18Å; S672-D691 WeakPolarHBondContact CB-OD2 3.43Å; S672-D691 WeakPolarHBondContact OG-CB 3.42Å; S672-D691 VanDerWaalsContact OG-CG 3.28Å; S672-D691 PolarHBondContact OG-OD2 3.24Å; V674-D691 HydrophobicContact CB-CB 3.96Å; V674-D691 HydrophobicContact CG1-CB 4.34Å; V674-D691 WeakPolarHBondContact O-CB 3.5Å; V674-D691 PolarHBondContact O-N 2.99Å; V674-D691 VanDerWaalsContact O-N 3.1Å; D691-F693 VanDerWaalsContact O-CD2 3.3Å; D691-F693 WeakPolarHBondContact O-CD2 3.32Å
692P88.6Confident88.8Confident5 Ų541.5 Ų41.53%0.03220%0.195CC..  trans-76.5132.1-171.130-33.6000111.5L543 M676 S690 E697 A698L543-P692 HydrophobicContact CB-CG 4.46Å; L543-P692 WeakPolarHBondContact CB-O 3.47Å; L543-P692 HydrophobicContact CD1-CB 4.33Å; L543-P692 HydrophobicContact CD1-CG 4.34Å; L543-P692 WeakPolarHBondContact CG-O 3.02Å; L543-P692 PolarHBondContact N-O 3.19Å; M676-P692 VanDerWaalsContact CE-CD 3.5Å; M676-P692 HydrophobicContact CE-CG 4.47Å; S690-P692 VanDerWaalsContact O-CD 3.31Å; S690-P692 WeakPolarHBondContact O-CD 3.45Å; P692-E697 WeakPolarHBondContact CA-OE2 3.24Å; P692-E697 HydrophobicContact CB-CB 4.13Å; P692-E697 HydrophobicContact CB-CG 4Å; P692-A698 HydrophobicContact CB-CB 4.05Å; P692-A698 HydrophobicContact CG-CB 4.14Å
693F86Confident88.6Confident25 Ų2542.4 Ų42.411%0.1120%0.198CC..SBendtrans-96.2-20.1174-72.8-94.7000112.9I540 S542 C548 H670 D691 E697I540-F693 HydrophobicContact CG2-CD1 3.86Å; S542-F693 VanDerWaalsContact CA-CD1 3.43Å; C548-F693 HydrophobicContact CB-CE1 4.06Å; C548-F693 HydrophobicContact CB-CZ 4.33Å; H670-F693 HydrophobicContact CB-CB 3.99Å; H670-F693 HydrophobicContact CB-CD1 3.57Å; H670-F693 HydrophobicContact CB-CD2 3.4Å; H670-F693 HydrophobicContact CB-CE1 3.76Å; H670-F693 HydrophobicContact CB-CE2 3.62Å; H670-F693 HydrophobicContact CB-CG 3.35Å; H670-F693 HydrophobicContact CB-CZ 3.78Å; H670-F693 AromaticContact CG-CD1 3.97Å; D691-F693 VanDerWaalsContact O-CD2 3.3Å; D691-F693 WeakPolarHBondContact O-CD2 3.32Å; F693-E697 PolarHBondContact N-OE2 2.94Å
694D83Confident88.3Confident61 Ų6147.1 Ų47.133%0.32622%0.22SC..SBendtrans-127158.2177.776.347.9000111.9K696 E697 A698D694-K696 VanDerWaalsContact C-N 3.33Å; D694-K696 PolarHBondContact O-N 3.48Å; D694-K696 WeakPolarHBondContact OD1-CA 3.39Å; D694-K696 WeakPolarHBondContact OD1-CB 3.5Å; D694-K696 PolarHBondContact OD1-N 3.24Å; D694-K696 VanDerWaalsContact OD1-N 3.08Å; D694-E697 WeakPolarHBondContact O-CB 3.4Å; D694-E697 PolarHBondContact O-N 3.47Å; D694-E697 VanDerWaalsContact OD1-CB 3.23Å; D694-E697 WeakPolarHBondContact OD1-CB 2.98Å; D694-E697 PolarHBondContact OD1-N 3.43Å; D694-A698 PolarHBondContact O-N 3.26Å
695Y78.9Confident88.1Confident40 Ų4046.9 Ų46.916%0.15723%0.226CC..Hα-helixtrans-70.8-30.9-176.7-61.1-89.2000113.5L543 E697 A698 N699 A1235 H1237 L1242L543-Y695 HydrophobicContact CD1-CD1 4.35Å; L543-Y695 HydrophobicContact CD2-CE1 4.22Å; L543-Y695 HydrophobicContact CD2-CE2 4.48Å; Y695-E697 VanDerWaalsContact C-N 3.26Å; Y695-E697 PolarHBondContact O-N 3.42Å; Y695-A698 PolarHBondContact O-N 2.82Å; Y695-N699 WeakPolarHBondContact O-CB 3.01Å; Y695-N699 PolarHBondContact O-N 3.42Å; Y695-A1235 HydrophobicContact CD1-CB 3.83Å; Y695-A1235 HydrophobicContact CE1-CB 4.2Å; Y695-H1237 VanDerWaalsContact CB-NE2 3.26Å; Y695-H1237 WeakPolarHBondContact CB-NE2 3.2Å; Y695-H1237 HydrophobicContact CD1-CB 3.99Å; Y695-H1237 AromaticContact CD1-CD2 3.14Å; Y695-H1237 WeakPolarHBondContact CD1-CD2 3.25Å; Y695-H1237 AromaticContact CD1-CG 3.58Å; Y695-H1237 AromaticContact CD1-NE2 3.66Å; Y695-H1237 AromaticContact CD2-CE1 3.85Å; Y695-H1237 AromaticContact CD2-ND1 3.93Å; Y695-H1237 AromaticContact CD2-NE2 3.99Å; Y695-H1237 HydrophobicContact CE1-CB 3.4Å; Y695-H1237 VanDerWaalsContact CE1-CB 3.4Å; Y695-H1237 AromaticContact CE1-CD2 3.56Å; Y695-H1237 AromaticContact CE1-CG 3.52Å; Y695-H1237 HydrophobicContact CE2-CB 4.25Å; Y695-H1237 AromaticContact CG-CD2 3.38Å; Y695-H1237 AromaticContact CG-CE1 3.71Å; Y695-H1237 AromaticContact CG-CG 3.78Å; Y695-H1237 AromaticContact CG-ND1 3.99Å; Y695-H1237 AromaticContact CG-NE2 3.37Å; Y695-H1237 AromaticContact CZ-CG 3.73Å; Y695-L1242 HydrophobicContact CD1-CD1 4.49Å; Y695-L1242 HydrophobicContact CE1-CD1 3.24Å; Y695-L1242 HydrophobicContact CE1-CG 4.3Å; Y695-L1242 WeakPolarHBondContact OH-CA 3.34Å; Y695-L1242 WeakPolarHBondContact OH-CB 3.23Å; Y695-L1242 WeakPolarHBondContact OH-CD1 3.11Å; Y695-L1242 WeakPolarHBondContact OH-CD2 3.38Å; Y695-L1242 WeakPolarHBondContact OH-CG 3.22Å
696K81.6Confident88Confident31 Ų3143.6 Ų43.614%0.13521%0.211CC..Hα-helixtrans-62.8-40.4176.4177.1-175.5176.1-178.50109.5D558 D694 W700 R701 Y953D558-K696 IonicContact OD1-NZ 3.71Å; D558-K696 IonicContact OD2-NZ 3.32Å; D558-K696 PolarHBondContact OD2-NZ 3.08Å; D694-K696 VanDerWaalsContact C-N 3.33Å; D694-K696 PolarHBondContact O-N 3.48Å; D694-K696 WeakPolarHBondContact OD1-CA 3.39Å; D694-K696 WeakPolarHBondContact OD1-CB 3.5Å; D694-K696 PolarHBondContact OD1-N 3.24Å; D694-K696 VanDerWaalsContact OD1-N 3.08Å; K696-W700 HydrophobicContact CG-CE3 4.2Å; K696-W700 CarbonylContact O-C 3.59Å; K696-W700 WeakPolarHBondContact O-CA 3.36Å; K696-W700 WeakPolarHBondContact O-CB 3.36Å; K696-W700 PolarHBondContact O-N 2.94Å; K696-R701 HydrophobicContact CG-CG 4.36Å; K696-R701 PolarHBondContact O-N 2.91Å; K696-Y953 HydrophobicContact CB-CD2 4.24Å; K696-Y953 HydrophobicContact CB-CE2 3.91Å; K696-Y953 HydrophobicContact CD-CE1 4.16Å; K696-Y953 HydrophobicContact CD-CE2 3.98Å; K696-Y953 HydrophobicContact CG-CD2 4.08Å; K696-Y953 HydrophobicContact CG-CE1 4.43Å; K696-Y953 HydrophobicContact CG-CE2 3.84Å; K696-Y953 HydrophobicContact CG-CG 4.47Å
697E85.7Confident87.7Confident53 Ų5342.7 Ų42.725%0.24821%0.21CC..Iπ-helixtrans-66.5-46.9171.8-169.8177.5-165.200110.9R689 P692 F693 D694 Y695 N699R689-E697 PolarHBondContact NH2-O 2.86Å; P692-E697 WeakPolarHBondContact CA-OE2 3.24Å; P692-E697 HydrophobicContact CB-CB 4.13Å; P692-E697 HydrophobicContact CB-CG 4Å; F693-E697 PolarHBondContact N-OE2 2.94Å; D694-E697 WeakPolarHBondContact O-CB 3.4Å; D694-E697 PolarHBondContact O-N 3.47Å; D694-E697 VanDerWaalsContact OD1-CB 3.23Å; D694-E697 WeakPolarHBondContact OD1-CB 2.98Å; D694-E697 PolarHBondContact OD1-N 3.43Å; Y695-E697 VanDerWaalsContact C-N 3.26Å; Y695-E697 PolarHBondContact O-N 3.42Å; E697-N699 PolarHBondContact O-N 2.9Å
698A88.5Confident87.2Confident0 Ų045.8 Ų45.80%023%0.23CC..Iπ-helixtrans-60.2-44.2179.300000114L543 R689 P692 D694 Y695 L1234 A1235L543-A698 HydrophobicContact CD1-CB 3.59Å; R689-A698 PolarHBondContact NH1-O 2.87Å; R689-A698 PolarHBondContact NH2-O 3.15Å; P692-A698 HydrophobicContact CB-CB 4.05Å; P692-A698 HydrophobicContact CG-CB 4.14Å; D694-A698 PolarHBondContact O-N 3.26Å; Y695-A698 PolarHBondContact O-N 2.82Å; A698-L1234 HydrophobicContact CB-CD2 4.39Å; A698-L1234 WeakPolarHBondContact O-CB 3.49Å; A698-A1235 HydrophobicContact CB-CB 3.85Å
699N90Very high86.9Confident2 Ų245.2 Ų45.21%0.01123%0.229CC..Iπ-helixtrans-108.5-18.2-169.2-71.1-21.8000114.3Y695 E697 Y703 L1234 A1235Y695-N699 WeakPolarHBondContact O-CB 3.01Å; Y695-N699 PolarHBondContact O-N 3.42Å; E697-N699 PolarHBondContact O-N 2.9Å; N699-Y703 VanDerWaalsContact O-CD2 3.32Å; N699-Y703 WeakPolarHBondContact O-CD2 3.23Å; N699-L1234 PolarHBondContact OD1-N 3.48Å; N699-A1235 PolarHBondContact ND2-O 2.76Å; N699-A1235 PolarHBondContact OD1-N 3.07Å; N699-A1235 PolarHBondContact OD1-O 2.99Å
700W86.2Confident86.8Confident65 Ų6546.3 Ų46.325%0.24624%0.237CC..Iπ-helixtrans-131.8-60.9-170.6-173.578.3000115.3K696 F702 Y703 H704 Y953K696-W700 HydrophobicContact CG-CE3 4.2Å; K696-W700 CarbonylContact O-C 3.59Å; K696-W700 WeakPolarHBondContact O-CA 3.36Å; K696-W700 WeakPolarHBondContact O-CB 3.36Å; K696-W700 PolarHBondContact O-N 2.94Å; W700-F702 PolarHBondContact O-N 3.24Å; W700-Y703 PolarHBondContact O-N 2.97Å; W700-Y703 VanDerWaalsContact O-N 3.09Å; W700-H704 HydrophobicContact CD2-CB 4.21Å; W700-H704 AromaticContact CE2-CD2 3.78Å; W700-H704 HydrophobicContact CH2-CB 4.45Å; W700-H704 AromaticContact CH2-CD2 3.96Å; W700-H704 AromaticContact CH2-CG 3.97Å; W700-H704 HydrophobicContact CZ2-CB 4.11Å; W700-H704 AromaticContact CZ2-CD2 3.3Å; W700-H704 WeakPolarHBondContact CZ2-CD2 3.46Å; W700-H704 AromaticContact CZ2-CG 3.66Å; W700-H704 AromaticContact CZ2-NE2 3.84Å; W700-H704 WeakPolarHBondContact O-CB 3.39Å; W700-H704 PolarHBondContact O-N 3.12Å; W700-Y953 HydrophobicContact CG-CG 4.45Å
701R85.8Confident86.8Confident89 Ų8942.9 Ų42.934%0.33621%0.213SC..Iπ-helixtrans-55-48.7-170.4-84.2-170.6162.4120.6-3.5112.3D558 K696 Y703 H704 I705D558-R701 IonicContact OD1-CZ 3.13Å; D558-R701 IonicContact OD1-NH1 3.87Å; D558-R701 IonicContact OD1-NH2 3.06Å; D558-R701 PolarHBondContact OD1-NH2 2.65Å; D558-R701 IonicContact OD2-NH1 3.79Å; D558-R701 IonicContact OD2-NH2 2.72Å; K696-R701 HydrophobicContact CG-CG 4.36Å; K696-R701 PolarHBondContact O-N 2.91Å; R701-Y703 VanDerWaalsContact C-N 3.35Å; R701-Y703 PolarHBondContact O-N 3.09Å; R701-H704 PolarHBondContact O-N 3.31Å; R701-I705 VanDerWaalsContact O-CG1 3.29Å; R701-I705 WeakPolarHBondContact O-CG1 3.24Å; R701-I705 PolarHBondContact O-N 2.9Å
702F90.8Very high86.6Confident22 Ų2248.4 Ų48.410%0.09624%0.243CC..Hα-helixtrans-55.1-48.6178.4173-100.5000112.3A687 R689 W700 L706A687-F702 HydrophobicContact CB-CE2 4.32Å; A687-F702 HydrophobicContact CB-CZ 4.36Å; R689-F702 HydrophobicContact CB-CD2 3.88Å; R689-F702 HydrophobicContact CB-CE2 3.53Å; R689-F702 HydrophobicContact CB-CZ 4.08Å; R689-F702 HydrophobicContact CG-CD2 3.67Å; R689-F702 HydrophobicContact CG-CE2 3.85Å; R689-F702 HydrophobicContact CG-CG 4.14Å; R689-F702 HydrophobicContact CG-CZ 4.44Å; R689-F702 VanDerWaalsContact NH1-CD1 3.28Å; W700-F702 PolarHBondContact O-N 3.24Å; F702-L706 HydrophobicContact CD1-CD1 4.29Å; F702-L706 HydrophobicContact CE1-CD1 3.62Å; F702-L706 HydrophobicContact CE2-CD1 3.88Å; F702-L706 HydrophobicContact CZ-CD1 3.38Å; F702-L706 PolarHBondContact O-N 3.16Å
703Y90.1Very high86.5Confident19 Ų1957.8 Ų57.88%0.07528%0.283CS..Hα-helixtrans-72.6-34.2-178.7-60.6-69.6000112.6S679 R689 N699 W700 R701 L706 S707 R1231S679-Y703 WeakPolarHBondContact O-CE1 3.27Å; R689-Y703 PolarHBondContact NH1-OH 2.88Å; N699-Y703 VanDerWaalsContact O-CD2 3.32Å; N699-Y703 WeakPolarHBondContact O-CD2 3.23Å; W700-Y703 PolarHBondContact O-N 2.97Å; W700-Y703 VanDerWaalsContact O-N 3.09Å; R701-Y703 VanDerWaalsContact C-N 3.35Å; R701-Y703 PolarHBondContact O-N 3.09Å; Y703-L706 PolarHBondContact O-N 2.83Å; Y703-S707 WeakPolarHBondContact O-CB 3.39Å; Y703-S707 PolarHBondContact O-N 2.86Å; Y703-R1231 VanDerWaalsContact CE1-CD 3.49Å
704H85.9Confident86.8Confident100 Ų10057.8 Ų57.846%0.46328%0.284SS..Hα-helixtrans-63.7-45.3176.5-178-86.3000111.1W700 R701 L706 S707W700-H704 HydrophobicContact CD2-CB 4.21Å; W700-H704 AromaticContact CE2-CD2 3.78Å; W700-H704 HydrophobicContact CH2-CB 4.45Å; W700-H704 AromaticContact CH2-CD2 3.96Å; W700-H704 AromaticContact CH2-CG 3.97Å; W700-H704 HydrophobicContact CZ2-CB 4.11Å; W700-H704 AromaticContact CZ2-CD2 3.3Å; W700-H704 WeakPolarHBondContact CZ2-CD2 3.46Å; W700-H704 AromaticContact CZ2-CG 3.66Å; W700-H704 AromaticContact CZ2-NE2 3.84Å; W700-H704 WeakPolarHBondContact O-CB 3.39Å; W700-H704 PolarHBondContact O-N 3.12Å; R701-H704 PolarHBondContact O-N 3.31Å; H704-L706 VanDerWaalsContact C-N 3.34Å; H704-L706 PolarHBondContact O-N 3.14Å; H704-S707 VanDerWaalsContact O-CB 3.23Å; H704-S707 WeakPolarHBondContact O-CB 3.35Å; H704-S707 PolarHBondContact O-N 3.32Å; H704-S707 VanDerWaalsContact O-N 3.1Å
705I87.3Confident87.1Confident108 Ų10859.1 Ų59.155%0.55430%0.295SS*.Hα-helixtrans-59-45.4175.5-67.8164.4000110.6R701 S707 S708R701-I705 VanDerWaalsContact O-CG1 3.29Å; R701-I705 WeakPolarHBondContact O-CG1 3.24Å; R701-I705 PolarHBondContact O-N 2.9Å; I705-S707 VanDerWaalsContact C-N 3.27Å; I705-S707 PolarHBondContact O-N 3.42Å; I705-S708 PolarHBondContact O-OG 3.44Å
706L89.4Confident87.5Confident13 Ų1361.7 Ų61.77%0.06831%0.311CS..Hα-helixtrans-72.9-18.2177.5-67177.9000114C680 A687 F702 Y703 H704 S708 I709 C710C680-L706 HydrophobicContact CB-CB 3.96Å; C680-L706 HydrophobicContact CB-CD1 3.92Å; A687-L706 HydrophobicContact CB-CD1 3.95Å; A687-L706 HydrophobicContact CB-CD2 3.71Å; A687-L706 HydrophobicContact CB-CG 4.41Å; F702-L706 HydrophobicContact CD1-CD1 4.29Å; F702-L706 HydrophobicContact CE1-CD1 3.62Å; F702-L706 HydrophobicContact CE2-CD1 3.88Å; F702-L706 HydrophobicContact CZ-CD1 3.38Å; F702-L706 PolarHBondContact O-N 3.16Å; Y703-L706 PolarHBondContact O-N 2.83Å; H704-L706 VanDerWaalsContact C-N 3.34Å; H704-L706 PolarHBondContact O-N 3.14Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 3.12Å; L706-I709 HydrophobicContact CD2-CD1 4.41Å; L706-I709 PolarHBondContact O-N 3.21Å; L706-C710 PolarHBondContact O-N 3.22Å
707S86.1Confident87.7Confident24 Ų2462 Ų6217%0.16831%0.314CS..Hα-helixtrans-61.7-44.7-179.7-171.10000110.9Y703 H704 I705 I709 C710 C711 N712Y703-S707 WeakPolarHBondContact O-CB 3.39Å; Y703-S707 PolarHBondContact O-N 2.86Å; H704-S707 VanDerWaalsContact O-CB 3.23Å; H704-S707 WeakPolarHBondContact O-CB 3.35Å; H704-S707 PolarHBondContact O-N 3.32Å; H704-S707 VanDerWaalsContact O-N 3.1Å; I705-S707 VanDerWaalsContact C-N 3.27Å; I705-S707 PolarHBondContact O-N 3.42Å; S707-I709 PolarHBondContact O-N 2.96Å; S707-C710 PolarHBondContact O-N 2.84Å; S707-C711 PolarHBondContact O-N 2.73Å; S707-C711 VanDerWaalsContact O-N 3.1Å; S707-N712 WeakPolarHBondContact O-CB 3.5Å; S707-N712 PolarHBondContact O-N 3.06Å
708S83.3Confident87.2Confident89 Ų8962.3 Ų62.362%0.62232%0.321SS*.Hα-helixtrans-61.4-32179.263.90000112.9I705 L706I705-S708 PolarHBondContact O-OG 3.44Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 3.12Å
709I86.7Confident86.4Confident122 Ų12263.1 Ų63.163%0.62633%0.325SS*.Hα-helixtrans-82.8-35.5-179.3-56.2172.2000111.2L706 S707L706-I709 HydrophobicContact CD2-CD1 4.41Å; L706-I709 PolarHBondContact O-N 3.21Å; S707-I709 PolarHBondContact O-N 2.96Å
710C89.7Confident84.8Confident27 Ų2763.2 Ų63.218%0.18233%0.326CS..THydrogen-bonded Turntrans-130.6-64.9-166.9-172.60000114.5C680 Q685 L706 S707 N712C680-C710 VanDerWaalsContact SG-SG 3.62Å; Q685-C710 HydrophobicContact CB-CB 4.29Å; L706-C710 PolarHBondContact O-N 3.22Å; S707-C710 PolarHBondContact O-N 2.84Å; C710-N712 PolarHBondContact O-N 2.77Å
711C90.2Very high83.1Confident1 Ų161.4 Ų61.41%0.00732%0.323CS..G310 helixtrans-75.6-23.4-164.8-56.20000114.4C682 S707 K713 L714 Y959C682-C711 PolarHBondContact N-SG 2.77Å; C682-C711 VanDerWaalsContact N-SG 3.41Å; C682-C711 VanDerWaalsContact SG-SG 3.67Å; S707-C711 PolarHBondContact O-N 2.73Å; S707-C711 VanDerWaalsContact O-N 3.1Å; C711-K713 PolarHBondContact O-N 3.14Å; C711-K713 VanDerWaalsContact O-N 3.11Å; C711-L714 WeakPolarHBondContact O-CB 3.39Å; C711-L714 PolarHBondContact O-N 3.4Å; C711-Y959 HydrophobicContact CB-CD1 4.45Å; C711-Y959 HydrophobicContact CB-CE1 3.81Å; C711-Y959 HydrophobicContact CB-CE2 4.18Å
712N85.6Confident81.2Confident120 Ų12063.6 Ų63.664%0.64234%0.336SS*.G310 helixtrans-63.4-21.1-170.3-168.428.6000114.4S707 C710 L714S707-N712 WeakPolarHBondContact O-CB 3.5Å; S707-N712 PolarHBondContact O-N 3.06Å; C710-N712 PolarHBondContact O-N 2.77Å; N712-L714 VanDerWaalsContact C-N 3.3Å
713K86.5Confident79.1Confident203 Ų20363.8 Ų63.888%0.88334%0.338SS*.G310 helixtrans-85-3.2178.9-61.7-178.8-177.9177.10113.6C711C711-K713 PolarHBondContact O-N 3.14Å; C711-K713 VanDerWaalsContact O-N 3.11Å
714L90.7Very high76.8Confident25 Ų2564.4 Ų64.413%0.13134%0.343CS..SBendtrans-96.2146-177.3-60.6176.7000110.6C682 C711 N712 N716 Y959 L961C682-L714 HydrophobicContact CB-CD1 3.48Å; C682-L714 VanDerWaalsContact CB-CD1 3.48Å; C711-L714 WeakPolarHBondContact O-CB 3.39Å; C711-L714 PolarHBondContact O-N 3.4Å; N712-L714 VanDerWaalsContact C-N 3.3Å; L714-N716 PolarHBondContact O-N 2.85Å; L714-Y959 HydrophobicContact CB-CD1 3.99Å; L714-Y959 HydrophobicContact CD1-CD1 4.48Å; L714-Y959 HydrophobicContact CD1-CG 4.47Å; L714-L961 HydrophobicContact CD1-CD2 3.89Å
715T90.2Very high74.6Confident88 Ų8863.9 Ų63.954%0.5435%0.35SS..EExtended strand (participates in β ladder)trans-63.9126.2168.249.80000108.9Y959 A960T715-Y959 CarbonylContact O-C 3.56Å; T715-Y959 WeakPolarHBondContact O-CA 3.44Å; T715-A960 PolarHBondContact O-N 3.4Å; T715-A960 WeakPolarHBondContact OG1-CB 3.21Å
716N87.5Confident72.4Confident94 Ų9461.7 Ų61.750%0.50334%0.34SS..EExtended strand (participates in β ladder)trans-122.4156.4179.265.6-15.2000111.3L714 I958 Y959L714-N716 PolarHBondContact O-N 2.85Å; N716-I958 WeakPolarHBondContact CA-O 3.32Å; N716-I958 VanDerWaalsContact CB-O 3.28Å; N716-I958 WeakPolarHBondContact CB-O 3.45Å; N716-Y959 HydrophobicContact CB-CD1 3.6Å; N716-Y959 HydrophobicContact CB-CE1 3.71Å; N716-Y959 HydrophobicContact CB-CG 4.48Å
717I86.4Confident70Confident37 Ų3766.7 Ų66.719%0.1937%0.373CS..EExtended strand (participates in β ladder)trans-93.3114.2166.6-58.3179.2000106.4L719 I958 V1220 L1222 W1228I717-L719 PolarHBondContact O-N 3.37Å; I717-I958 HydrophobicContact CB-CB 4.21Å; I717-I958 HydrophobicContact CB-CG2 4.32Å; I717-I958 HydrophobicContact CD1-CG2 3.99Å; I717-I958 HydrophobicContact CG1-CG2 4.18Å; I717-I958 PolarHBondContact N-O 2.8Å; I717-V1220 HydrophobicContact CD1-CB 4.4Å; I717-V1220 HydrophobicContact CD1-CG2 4.41Å; I717-V1220 HydrophobicContact CG2-CG1 4.12Å; I717-L1222 HydrophobicContact CD1-CD2 3.76Å; I717-W1228 HydrophobicContact CD1-CH2 4.17Å; I717-W1228 HydrophobicContact CD1-CZ3 4.11Å; I717-W1228 HydrophobicContact CG1-CH2 4.1Å; I717-W1228 HydrophobicContact CG1-CZ3 3.97Å
718P73.6Confident67.9Low61 Ų6175.7 Ų75.740%0.39640%0.403SS..  trans-66.6132.4-178.827.7-33.4000109.8I723P718-I723 HydrophobicContact CB-CG1 4.11Å; P718-I723 HydrophobicContact CG-CG1 4.44Å
719L73.1Confident65.8Low16 Ų1673.7 Ų73.78%0.08438%0.384CS..  trans-107.3147.3166.3-56.4174.7000106.5I717 W956 L1161 T1164I717-L719 PolarHBondContact O-N 3.37Å; L719-W956 HydrophobicContact CD1-CB 3.46Å; L719-W956 VanDerWaalsContact CD1-CB 3.46Å; L719-L1161 HydrophobicContact CD1-CD2 4.1Å; L719-T1164 HydrophobicContact CD2-CG2 4.34Å
720S56.9Low63.4Low5 Ų571.5 Ų71.54%0.03538%0.377CS..THydrogen-bonded Turntrans-50.7144.8177.849.70000111.1P951S720-P951 WeakPolarHBondContact OG-CD 3.33Å
721P48.9Very low60.8Low27 Ų2772.2 Ų72.218%0.17538%0.377CS..THydrogen-bonded Turncis-85.9-15.312.9-11.627.6000117.8I723 L724 F936 P951 L952P721-I723 PolarHBondContact O-N 3.26Å; P721-L724 WeakPolarHBondContact O-CB 3.32Å; P721-L724 PolarHBondContact O-N 2.96Å; P721-F936 HydrophobicContact CB-CE1 3.95Å; P721-F936 HydrophobicContact CG-CE1 4.42Å; P721-P951 WeakPolarHBondContact CG-O 3.47Å; P721-L952 WeakPolarHBondContact CG-O 3.37Å
722Q46.2Very low58Low134 Ų13474.6 Ų74.663%0.62639%0.392SS*.G310 helixtrans-58.3-24.5-172.6-70.6-85-28.500112.6L724 S725Q722-L724 PolarHBondContact O-N 3.33Å; Q722-S725 WeakPolarHBondContact O-CB 3.12Å; Q722-S725 PolarHBondContact O-N 3.46Å
723I46.7Very low55.3Low27 Ų2775 Ų7514%0.13839%0.394CS..G310 helixtrans-54.4-31.5171.4-67.2174.6000112.4P718 P721 S725 D726P718-I723 HydrophobicContact CB-CG1 4.11Å; P718-I723 HydrophobicContact CG-CG1 4.44Å; P721-I723 PolarHBondContact O-N 3.26Å; I723-S725 PolarHBondContact O-N 2.79Å; I723-D726 PolarHBondContact O-N 3.38Å
724L41.7Very low52.4Low31 Ų3171.1 Ų71.116%0.16239%0.389CS..G310 helixtrans-81-6.9-179-58.5173000113.2P721 Q722 F731 C732 F936 L950P721-L724 WeakPolarHBondContact O-CB 3.32Å; P721-L724 PolarHBondContact O-N 2.96Å; Q722-L724 PolarHBondContact O-N 3.33Å; L724-F731 HydrophobicContact CD2-CB 3.36Å; L724-F731 WeakPolarHBondContact CD2-O 3.23Å; L724-C732 PolarHBondContact O-SG 3.36Å; L724-F936 HydrophobicContact CD1-CE1 3.4Å; L724-F936 VanDerWaalsContact CD1-CE1 3.4Å; L724-F936 HydrophobicContact CD1-CE2 4.14Å; L724-F936 HydrophobicContact CD1-CZ 3.07Å; L724-L950 HydrophobicContact CD1-CD1 3.79Å; L724-L950 HydrophobicContact CD2-CD1 4.37Å; L724-L950 HydrophobicContact CG-CD1 4.41Å
725S40.4Very low49.6Very low89 Ų8977 Ų7762%0.62242%0.421SS*.G310 helixtrans-84.5-6.9172.4-50.20000112.8Q722 I723 P727Q722-S725 WeakPolarHBondContact O-CB 3.12Å; Q722-S725 PolarHBondContact O-N 3.46Å; I723-S725 PolarHBondContact O-N 2.79Å; S725-P727 WeakPolarHBondContact O-CD 3.23Å
726D40.1Very low46.5Very low62 Ų6281.4 Ų81.433%0.33244%0.435SS..SBendtrans-82.6116.1170-167.7-36.8000109.9I723 R728 H729 C732I723-D726 PolarHBondContact O-N 3.38Å; D726-R728 PolarHBondContact O-N 3.14Å; D726-R728 WeakPolarHBondContact OD1-CB 3.37Å; D726-R728 IonicContact OD1-CZ 3.26Å; D726-R728 PolarHBondContact OD1-N 3.35Å; D726-R728 IonicContact OD1-NE 3.4Å; D726-R728 PolarHBondContact OD1-NE 2.85Å; D726-R728 VanDerWaalsContact OD1-NE 3.1Å; D726-R728 IonicContact OD1-NH2 2.67Å; D726-R728 IonicContact OD2-CZ 3.43Å; D726-R728 IonicContact OD2-NE 3.66Å; D726-R728 IonicContact OD2-NH2 3.43Å; D726-R728 PolarHBondContact OD2-NH2 3.08Å; D726-H729 PolarHBondContact O-N 3.43Å; D726-C732 PolarHBondContact O-SG 3.28Å
727P40.5Very low43.6Very low119 Ų11984.3 Ų84.377%0.77345%0.451SS*.THydrogen-bonded Turntrans-59.2-11.8-178.6-21.231.4000115.1S725S725-P727 WeakPolarHBondContact O-CD 3.23Å
728R41.6Very low40.6Very low213 Ų21390.5 Ų90.580%0.80448%0.479SS*.THydrogen-bonded Turntrans-94.71.5-175.7-63.9171.5-72-1790.8113.8D726D726-R728 PolarHBondContact O-N 3.14Å; D726-R728 WeakPolarHBondContact OD1-CB 3.37Å; D726-R728 IonicContact OD1-CZ 3.26Å; D726-R728 PolarHBondContact OD1-N 3.35Å; D726-R728 IonicContact OD1-NE 3.4Å; D726-R728 PolarHBondContact OD1-NE 2.85Å; D726-R728 VanDerWaalsContact OD1-NE 3.1Å; D726-R728 IonicContact OD1-NH2 2.67Å; D726-R728 IonicContact OD2-CZ 3.43Å; D726-R728 IonicContact OD2-NE 3.66Å; D726-R728 IonicContact OD2-NH2 3.43Å; D726-R728 PolarHBondContact OD2-NH2 3.08Å
729H38.7Very low38.2Very low47 Ų4794.2 Ų94.222%0.21850%0.5CS..SBendtrans-94.7143-172.1-161.5-109.2000113.5D726 F731 C732D726-H729 PolarHBondContact O-N 3.43Å; H729-F731 AromaticContact CE1-CD2 3.09Å; H729-F731 WeakPolarHBondContact CE1-CD2 3.44Å; H729-F731 AromaticContact CE1-CE2 3.67Å; H729-F731 AromaticContact ND1-CD2 3.36Å; H729-F731 WeakPolarHBondContact ND1-CD2 3.27Å; H729-F731 AromaticContact ND1-CG 3.99Å; H729-F731 PolarHBondContact O-N 2.92Å; H729-C732 PolarHBondContact O-N 3.19Å
730T37Very low35.9Very low76 Ų7698.6 Ų98.647%0.46653%0.527SS..THydrogen-bonded Turntrans-58.5-17.6-177-49.70000114.6I929 L931T730-I929 HydrophobicContact CG2-CG2 4.46Å; T730-L931 HydrophobicContact CG2-CD2 4.2Å
731F33.8Very low34.2Very low42 Ų42104.7 Ų104.718%0.18456%0.564CS.*THydrogen-bonded Turntrans-104.95.9-173.4-62.4-98.8000113.5L724 H729 L733 A934L724-F731 HydrophobicContact CD2-CB 3.36Å; L724-F731 WeakPolarHBondContact CD2-O 3.23Å; H729-F731 AromaticContact CE1-CD2 3.09Å; H729-F731 WeakPolarHBondContact CE1-CD2 3.44Å; H729-F731 AromaticContact CE1-CE2 3.67Å; H729-F731 AromaticContact ND1-CD2 3.36Å; H729-F731 WeakPolarHBondContact ND1-CD2 3.27Å; H729-F731 AromaticContact ND1-CG 3.99Å; H729-F731 PolarHBondContact O-N 2.92Å; F731-L733 PolarHBondContact O-N 3.12Å; F731-A934 HydrophobicContact CD1-CB 4.29Å
732C31.4Very low33Very low50 Ų50108.3 Ų108.334%0.33859%0.591SS.*PPolyproline II helixtrans-62.2127.7175.2-81.50000111L724 D726 H729L724-C732 PolarHBondContact O-SG 3.36Å; D726-C732 PolarHBondContact O-SG 3.28Å; H729-C732 PolarHBondContact O-N 3.19Å
733L29.6Very low31.8Very low129 Ų129107.6 Ų107.668%0.67560%0.6SS**PPolyproline II helixtrans-67.9149.3164.9-68.7168.5000109.5F731 N735 F936F731-L733 PolarHBondContact O-N 3.12Å; L733-N735 PolarHBondContact O-N 3.13Å; L733-F936 HydrophobicContact CD1-CE2 4.43Å
734P26.5Very low30.7Very low121 Ų121111.7 Ų111.779%0.78663%0.631SS**PPolyproline II helixtrans-54.6126.2-179.7-21.932000111E736P734-E736 PolarHBondContact O-N 2.72Å
735N31.4Very low29.8Very low148 Ų148115.3 Ų115.379%0.79166%0.659SS**PPolyproline II helixtrans-55.4120.5-172.1-14823000111.6L733L733-N735 PolarHBondContact O-N 3.13Å
736E24.8Very low29.1Very low181 Ų181115.7 Ų115.785%0.84666%0.662SS**PPolyproline II helixtrans-73.1131.7167.3-71.5-152.7156.900109.8P734 H738P734-E736 PolarHBondContact O-N 2.72Å; E736-H738 PolarHBondContact O-N 3.34Å
737N25.9Very low28.3Very low156 Ų156120.7 Ų120.783%0.83468%0.683SS**  trans-59114.9-166-65.8-50.8000113.5V739N737-V739 PolarHBondContact O-N 2.96Å
738H24.9Very low27.4Very low167 Ų167125.3 Ų125.377%0.77369%0.685SS**  trans-69.2113.6162.6-108-86.8000110E736 V740E736-H738 PolarHBondContact O-N 3.34Å; H738-V740 PolarHBondContact O-N 3.39Å; H738-V740 VanDerWaalsContact O-N 3.14Å
739V21.3Very low26.5Very low138 Ų138120.8 Ų120.884%0.83668%0.681SS**  trans-68.5101.7167.9177.70000108.1N737N737-V739 PolarHBondContact O-N 2.96Å
740V25.2Very low25.8Very low108 Ų108125.7 Ų125.766%0.65571%0.709SS**  trans-112.3109.7169.5179.30000108.7H738 S742H738-V740 PolarHBondContact O-N 3.39Å; H738-V740 VanDerWaalsContact O-N 3.14Å; V740-S742 PolarHBondContact O-N 3.49Å
741T20.8Very low25Very low133 Ų133133.7 Ų133.782%0.81673%0.731SS**  trans-60.4111.5163.519.80000109.7
742S25.1Very low24.6Very low104 Ų104141.5 Ų141.573%0.72776%0.764SS**  trans-147.5103.5165-66.40000109.5V740V740-S742 PolarHBondContact O-N 3.49Å
743S19.4Very low24.1Very low119 Ų119147.1 Ų147.183%0.83279%0.79SS**  trans-60.3125.6167.447.60000111.7
744S24.2Very low23.9Very low113 Ų113145.6 Ų145.679%0.7979%0.789SS**  trans177.9128.8133.147.10000111.3
745S22.3Very low23.7Very low107 Ų107147.6 Ų147.675%0.74879%0.794SS**  trans-23.3136.8168.758.90000118.3
746S26.2Very low23.4Very low96 Ų96148.2 Ų148.267%0.67179%0.792SS**  168125.7100-77.10000112.4
747H24.4Very low23.2Very low167 Ų167149.5 Ų149.577%0.77380%0.795SS**  trans62.2113144.4-68.1-59.3000122.8
748R21.9Very low22.9Very low216 Ų216148.4 Ų148.482%0.81579%0.794SS**  84.4112.8123.1-81.4-172.7167.3177.7-2.7120.3
749T22.5Very low22.7Very low118 Ų118146.3 Ų146.372%0.72479%0.792SS**  84123.2128.456.80000121
750N23.4Very low22.6Very low151 Ų151145 Ų14581%0.80779%0.788SS**  trans79.895.3148.1-76.5-20.2000120.5
751R21Very low22.4Very low243 Ų243147 Ų14792%0.91779%0.794SS**  6.4116.9128.2-89.7178.4159.7176.5-5.5115.5
752K24.4Very low22.4Very low206 Ų206148.3 Ų148.390%0.89680%0.795SS**  -162.6129.1122.9-106.6171.6-176.8-176.60110
753I21Very low22.2Very low169 Ų169149.4 Ų149.487%0.86780%0.797SS**  trans-78.8124.8174.1-72.5155.6000107.4
754S25.5Very low22.3Very low96 Ų96153.2 Ų153.267%0.67180%0.799SS**  trans-151.4114.2156.4520000109.2E756S754-E756 PolarHBondContact O-N 3.24Å; S754-E756 VanDerWaalsContact O-N 3.1Å
755N22.3Very low22.2Very low164 Ų164153.9 Ų153.988%0.87780%0.8SS**  trans-61.997.1169.6-79.5-22.3000109.5
756E24.2Very low22.2Very low161 Ų161158.1 Ų158.175%0.75281%0.805SS**  trans-130113.9166.5-73.9-169.5162.900110.5S754 T758S754-E756 PolarHBondContact O-N 3.24Å; S754-E756 VanDerWaalsContact O-N 3.1Å; E756-T758 PolarHBondContact O-N 2.79Å; E756-T758 PolarHBondContact O-OG1 3.5Å
757K21.4Very low21.9Very low208 Ų208163 Ų16390%0.90481%0.814SS**  trans-44.1101.3168.5-73.3172.6173.11760109.3V759K757-V759 PolarHBondContact O-N 2.84Å; K757-V759 VanDerWaalsContact O-N 3.11Å
758T19.9Very low21.9Very low133 Ų133162.7 Ų162.782%0.81682%0.818SS**  trans-81.598.2-178.8-33.70000108.8E756 C760E756-T758 PolarHBondContact O-N 2.79Å; E756-T758 PolarHBondContact O-OG1 3.5Å; T758-C760 PolarHBondContact O-N 3.47Å
759V20.7Very low21.9Very low122 Ų122157.8 Ų157.874%0.73981%0.812SS**  trans-67110.5168.7175.20000107.6K757 I761K757-V759 PolarHBondContact O-N 2.84Å; K757-V759 VanDerWaalsContact O-N 3.11Å; V759-I761 HydrophobicContact CG1-CG1 4.41Å
760C18.7Very low21.8Very low110 Ų110158.3 Ų158.374%0.74382%0.816SS**  trans-89.1109174.8-130.60000109.4T758T758-C760 PolarHBondContact O-N 3.47Å
761I20.4Very low21.7Very low152 Ų152156.8 Ų156.878%0.77982%0.817SS**  trans-79.3114.3175.2-59.6171.8000107.5V759V759-I761 HydrophobicContact CG1-CG1 4.41Å
762L21Very low21.8Very low160 Ų160151.2 Ų151.284%0.83882%0.815SS**  trans-106.2126.6-179.3-98.5141.6000112
763T21.9Very low21.7Very low127 Ų127147 Ų14778%0.77981%0.811SS**PPolyproline II helixtrans-88.5153.5176.534.50000111.3
764K20.9Very low21.8Very low199 Ų199144.2 Ų144.287%0.86581%0.807SS**PPolyproline II helixtrans-58.2144.8-176.9-71.6179.8176.2176.30112.5
765P22.8Very low21.9Very low126 Ų126145.2 Ų145.282%0.81881%0.812SS**PPolyproline II helixtrans-70.8134.6173.67.94.2000110.7
766K20.9Very low22.1Very low196 Ų196143.1 Ų143.185%0.85281%0.807SS**PPolyproline II helixtrans-69137.2163.7-93.6178.5174175.50109.3D768K766-D768 PolarHBondContact O-N 3.45Å; K766-D768 VanDerWaalsContact O-N 3.16Å
767K21.3Very low22.2Very low199 Ų199141.2 Ų141.287%0.86581%0.808SS**  trans-61.9105.5169.1-84.8178.2170.1178.90109.2
768D23.2Very low22.5Very low160 Ų160136.9 Ų136.986%0.85680%0.801SS**  trans-94.3127160.8-74.1-24.5000109.7K766K766-D768 PolarHBondContact O-N 3.45Å; K766-D768 VanDerWaalsContact O-N 3.16Å
769T22.2Very low22.8Very low113 Ų113136.8 Ų136.869%0.69380%0.803SS**  trans-97.2126.4-164.6-49.60000106.9
770T19.9Very low22.9Very low130 Ų130136.5 Ų136.580%0.79881%0.807SS**  trans28.6117.1154.1640000118.6
771S23.2Very low22.9Very low119 Ų119139.8 Ų139.883%0.83282%0.816SS**  trans-153.1128132.552.40000111.1
772S21Very low23.1Very low125 Ų125138 Ų13887%0.87482%0.817SS**  trans-67126.2173.952.60000110.8
773S24.3Very low23Very low117 Ų117138.8 Ų138.882%0.81882%0.821SS**  trans-136119.8150.854.50000108.6
774S22.6Very low23.1Very low111 Ų111138.9 Ų138.978%0.77682%0.821SS**PPolyproline II helixtrans-67.4136.6179.344.70000110.8
775P27.6Very low23.1Very low118 Ų118133 Ų13377%0.76682%0.817SS**PPolyproline II helixtrans-74.4148.9177.629.9-32.1000111.6
776P25.3Very low23Very low120 Ų120138.3 Ų138.378%0.77982%0.82SS**PPolyproline II helixtrans-76.2154.3-175.730.9-33.7000112.8
777P27.3Very low22.9Very low120 Ų120133.1 Ų133.178%0.77981%0.814SS**PPolyproline II helixtrans-80.9154.9-173.430.7-29.7000113.5
778P27.9Very low23.1Very low117 Ų117131.9 Ų131.976%0.7681%0.812SS**PPolyproline II helixtrans-78153.5-173.631-34.7000113.6
779P25.3Very low23.1Very low131 Ų131132.7 Ų132.785%0.85181%0.807SS**PPolyproline II helixtrans-75.1134.8-173.930.2-32.9000112.2
780S23.1Very low22.9Very low117 Ų117135.1 Ų135.182%0.81882%0.815SS**PPolyproline II helixtrans-71.9131.6-177.539.60000113.5
781L19.9Very low23.2Very low179 Ų179134.9 Ų134.994%0.93781%0.814SS**PPolyproline II helixtrans-63.2132.7167.7-70.4158.3000110.8
782S22.9Very low23.1Very low115 Ų115138.3 Ų138.380%0.80481%0.814SS**  trans-127.4118.6159.658.20000109.6
783L20.6Very low23.4Very low175 Ų175140.2 Ų140.292%0.91681%0.814SS**  trans-93.9115.7179.9-178.881.5000106.6
784V23.9Very low23.4Very low129 Ų129143.3 Ų143.378%0.78282%0.815SS**  trans-127.899.6167.3179.90000107.7
785G19.8Very low23.9Very low75 Ų75142.8 Ų142.877%0.77381%0.809SS**  trans-75.1131.9163.500000109.4
786R21.4Very low23.9Very low238 Ų238143.7 Ų143.790%0.89881%0.813SS**  trans-13997.3164.8-163.6170.7-179.2151.7-0.8108.2
787A19.2Very low23.7Very low87 Ų87145.2 Ų145.272%0.71982%0.815SS**  trans-75.7141158.600000108.1
788E23.7Very low23.9Very low174 Ų174145.8 Ų145.881%0.81381%0.811SS**  trans172.9137.6132.6-96.5177.1-161.800112.9
789K23.8Very low23.8Very low177 Ų177146.5 Ų146.577%0.7781%0.808SS**  trans76.3101.1146.5-85.9172.9172.71680121.2
790L19.1Very low24.2Very low163 Ų163147.8 Ų147.885%0.85381%0.808SS**  trans-49135.2139.6-84.583.2000112.1
791T25.7Very low24.3Very low126 Ų126149.9 Ų149.977%0.77381%0.805SS**  trans-140116.1151.243.40000109
792K21.5Very low25Very low191 Ų191146.4 Ų146.483%0.8379%0.793SS**  trans-67.1137.6167.2-70.4175.2173.3-1800109
793N26.1Very low25.1Very low164 Ų164147.2 Ų147.288%0.87779%0.788SS**  trans-149.8130.9155.5-82.6-31.4000109.2
794H24.6Very low25.8Very low182 Ų182145.9 Ų145.984%0.84379%0.788SS**  trans-134.6174.6173.6-141.6-47.7000103.5
795P32.2Very low25.8Very low101 Ų101147.2 Ų147.266%0.65679%0.791SS**  cis-117.9164.7-37.97.616.3000111.9
796T28.4Very low26.5Very low137 Ų137148.6 Ų148.684%0.8479%0.794SS**  trans-159.6105150.349.50000106.6
797N22.1Very low26.7Very low152 Ų152144.4 Ų144.481%0.81379%0.79SS**  59.8135.678.3-114.627.9000115.7
798N29.8Very low27.3Very low131 Ų131146.8 Ų146.870%0.70180%0.795SS**  trans93.1140.3171.6-48.40.4000114.3
799D27.6Very low27.4Very low132 Ų132141.3 Ų141.371%0.70679%0.786SS**  cis-178.8170-20.3-93.2-39.4000102.8
800D33Very low27.4Very low159 Ų159140.8 Ų140.885%0.8579%0.79SS**  trans98.481.8162.4-48.5-33.4000118.5
801E25.3Very low27.7Very low161 Ų161138.6 Ų138.675%0.75279%0.789SS**  -55.7160.9129-78.2-80.515300110.2
802P34.9Very low27.7Very low105 Ų105141.5 Ų141.568%0.68279%0.793SS**  cis-150.4169.837.239.7-17.3000118.6
803D24.8Very low27.9Very low132 Ų132138 Ų13871%0.70679%0.791SS**  trans36.6124.4141.6-68.1-35.2000122.1
804T34Very low28Very low148 Ų148139.4 Ų139.491%0.90879%0.792SS**  trans-150.6114.3139.5-1.80000111.1
805D25.6Very low28.2Very low157 Ų157138.5 Ų138.584%0.8479%0.793SS**  trans-57141.4169.7-66.6-56.5000113.2
806A33Very low27.9Very low103 Ų103141.2 Ų141.285%0.85180%0.802SS**  trans-162.291.4146.600000110.7
807D25.9Very low27.8Very low151 Ų151142 Ų14281%0.80780%0.801SS**  trans-64.7125.7166.7-176.716.7000111.5
808V32.9Very low27.9Very low136 Ų136142 Ų14282%0.82480%0.8SS**  trans-143.793155.3-177.60000108.3
809G24Very low27.8Very low60 Ų60142.8 Ų142.862%0.61980%0.804SS**  trans-67.4137.7169.300000113.6
810L25.8Very low27.7Very low165 Ų165144.3 Ų144.386%0.86481%0.811SS**  trans-124.7106.3154.6-77.9173.9000108.1
811S23.9Very low27.3Very low117 Ų117144.8 Ų144.882%0.81881%0.813SS**  trans-47.1123.4174.8460000114.1
812Q26.7Very low27.4Very low187 Ų187141.9 Ų141.987%0.87481%0.81SS**  trans-106.2141.6151.2-77.6-156.2-64.500109.6
813P25.5Very low27Very low119 Ų119141.5 Ų141.577%0.77382%0.816SS**  trans-81.8154.9-169.333.6-34.3000112.8
814E27.9Very low27.2Very low193 Ų193143 Ų14390%0.90282%0.824SS**  trans-58.7122.2-174.6-59166.3160.600113.1
815D27.9Very low27.1Very low163 Ų163140.4 Ų140.487%0.87281%0.812SS**  trans-77.4115.6162.5-82.1-40000108.4
816N27.4Very low27.4Very low157 Ų157140.9 Ų140.984%0.8481%0.814SS**  trans-87.1111.8-178.4-151.83.8000108.7L818N816-L818 PolarHBondContact O-N 3.47Å
817D26.3Very low27.3Very low155 Ų155144.2 Ų144.283%0.82981%0.812SS**  trans-55.8118.4176.1-78-42.6000112.1
818L24.6Very low27.7Very low151 Ų151142.8 Ų142.879%0.79181%0.814SS**  trans-148119.1160-102.2176.8000111.4N816N816-L818 PolarHBondContact O-N 3.47Å
819L26.7Very low27.4Very low147 Ų147143.7 Ų143.777%0.7781%0.814SS**  trans87.974.5155.8-49.1179.3000118.3
820L25.5Very low27.7Very low165 Ų165146.6 Ų146.686%0.86483%0.825SS**  trans-129.398.9148-163.874.7000108.6S822L820-S822 PolarHBondContact O-N 3Å
821L25.1Very low27.8Very low168 Ų168143.7 Ų143.788%0.8882%0.818SS**  trans-84.8106.8176-73.8167.1000108.9
822S26.1Very low28.1Very low101 Ų101147.3 Ų147.371%0.70682%0.822SS**PPolyproline II helixtrans-77.2148.4173-65.50000111.6L820L820-S822 PolarHBondContact O-N 3Å
823A27.7Very low28.2Very low96 Ų96146.6 Ų146.679%0.79382%0.821SS**PPolyproline II helixtrans-74.2130.5176.900000111.7
824D29.1Very low28.5Very low164 Ų164150 Ų15088%0.87783%0.829SS**PPolyproline II helixtrans-74.9137.2175.9-72.4-43.3000111.7
825S32Very low28.5Very low93 Ų93147.5 Ų147.565%0.6582%0.822SS**  trans-120.3109.1177.8490000108.1
826D32.3Very low28.4Very low168 Ų168150.5 Ų150.590%0.89882%0.821SS**  trans-91.3106.4174.1-82.8-33.9000110.1
827H30.3Very low28.4Very low172 Ų172151.1 Ų151.180%0.79682%0.819SS**  trans-75.9124.6166.9-78.1-81.6000110.3
828S33.3Very low28.5Very low121 Ų121149.5 Ų149.585%0.84682%0.82SS**  trans-134113.4152.157.70000110.6
829N26.6Very low29Very low155 Ų155148.2 Ų148.283%0.82982%0.818SS**  trans-73.5129.2174.9-97.2-33.4000110.2
830S30.7Very low29.2Very low121 Ų121148.9 Ų148.985%0.84682%0.822SS**  trans-143.2109.9145.346.50000109.1
831S28.1Very low29.7Very low105 Ų105148.5 Ų148.573%0.73482%0.821SS**  trans-82.3123.3170.1-79.70000108.8
832E31.6Very low29.9Very low192 Ų192143.6 Ų143.690%0.89781%0.811SS**  trans-133.2103.2151.4-77.1-166.815500109.1
833M27Very low30.5Very low173 Ų173144.5 Ų144.585%0.85282%0.818SS**  trans-77.6113168-76.9160.55100108.5
834M32.9Very low30.6Very low190 Ų190147.8 Ų147.894%0.93682%0.822SS**  trans-117.2119.3161.6-74-91.3-84.200107.3
835N26.8Very low30.8Very low141 Ų141147.3 Ų147.375%0.75482%0.819SS**  trans-123.8141.9-167-149.41.3000106.1
836R26.2Very low30.7Very low225 Ų225148.1 Ų148.185%0.84983%0.825SS**  trans80.5136.3-178.9-54.8174.2162.8139.7-4.2113
837E28.1Very low30.7Very low170 Ų170143.8 Ų143.879%0.79482%0.821SS**  cis-158.8142.339.9-131.5149-140.500109.6
838S27.6Very low30.6Very low121 Ų121143.1 Ų143.185%0.84682%0.823SS**  trans-89116.1175.841.70000109.8
839T35.7Very low30.7Very low124 Ų124143.7 Ų143.776%0.76182%0.816SS**  trans-119.7121.2166.746.50000109.8
840D30.8Very low30.8Very low161 Ų161144.2 Ų144.286%0.86181%0.811SS**  trans-82105.4177.4-175.224.7000108
841D36.4Very low30.7Very low157 Ų157150 Ų15084%0.8482%0.816SS**  trans-121.8100.5170.7-85.6-32.3000108.5
842G28.7Very low30.7Very low65 Ų65150.9 Ų150.967%0.6781%0.812SS**  trans-89.4134.8160.700000110.2
843S38.1Very low30.6Very low121 Ų121149 Ų14985%0.84681%0.807SS**  trans176.6145.9134.237.10000111.4
844D29.8Very low30.7Very low164 Ų164145.6 Ų145.688%0.87781%0.807SS**  trans-49.3138.4-179.8-53.6-62.8000114.8
845D33.9Very low30.5Very low154 Ų154143 Ų14382%0.82480%0.801SS**  trans-154.7132.9133.4-155.23.8000112.8
846S30.5Very low30.7Very low110 Ų110144.2 Ų144.277%0.76981%0.808SS**  trans-78.2109.5175.344.90000110.9
847G32.6Very low30.9Very low78 Ų78140 Ų14080%0.80480%0.802SS**  trans-110.797.1172.700000112.3
848N27.5Very low30.8Very low158 Ų158140.6 Ų140.685%0.84581%0.81SS**  trans-58.2129.4159.9-104.2-29.4000110.1
849D34.4Very low30.8Very low132 Ų132140 Ų14071%0.70681%0.806SS**  trans-168.5110.7136.1-100.7-32.3000113.2
850K28.8Very low30.4Very low167 Ų167137.7 Ų137.773%0.72681%0.807SS**  trans42.8105.2130.6-62.6172.7-174150.70118.9
851Y30Very low30.4Very low241 Ų241137.8 Ų137.895%0.94581%0.807SS**  -143.5121.8123.4-131.9-96.2000109.3
852I28.1Very low29.7Very low125 Ų125136 Ų13664%0.64181%0.806SS**  trans-109.6151.6-172.7-75.4172.8000108.4
853D28.1Very low29.7Very low151 Ų151141.2 Ų141.281%0.80782%0.817SS**  trans72.2110.4158.6-73.2-17000120.9
854A29.8Very low29.1Very low103 Ų103140.8 Ų140.885%0.85182%0.815SS**  -168.682.1114.800000109.7
855V28.9Very low29.2Very low134 Ų134139 Ų13981%0.81281%0.812SS**  trans-119.2113.1166.2-167.40000106.4
856N31.2Very low28.8Very low168 Ų168139 Ų13990%0.89881%0.812SS**  trans-96.8120.4176.3-121.35.9000108.6
857D28.8Very low28.5Very low135 Ų135139.6 Ų139.672%0.72281%0.813SS**  trans-60.5139.7177-73.3-46.5000113.3
858L26.1Very low28.3Very low184 Ų184140.9 Ų140.996%0.96381%0.81SS**  trans-150.677.7143.9-140.978.9000109.8
859S28Very low28.4Very low108 Ų108141.3 Ų141.376%0.75581%0.806SS**  trans-102.5115.1165.758.70000109.4
860G28.3Very low28Very low76 Ų76141.7 Ų141.778%0.78481%0.808SS**  trans-124.598.7177.600000112
861N29.7Very low27.8Very low162 Ų162138 Ų13887%0.86680%0.803SS**  trans41116.6150-72.511.2000122.4
862C21.9Very low27.5Very low120 Ų120134 Ų13481%0.81180%0.798SS**  trans-64.1137.1154.8-52.30000112.5
863L28.7Very low27.6Very low174 Ų174134.7 Ų134.791%0.91181%0.808SS**  trans-142.8105153.2-79.2174.8000108.9
864S26.7Very low27.5Very low113 Ų113133.3 Ų133.379%0.7981%0.81SS**PPolyproline II helixtrans-102.4127168.5350000109.3
865P30.8Very low27.4Very low125 Ų125135.9 Ų135.981%0.81281%0.81SS**PPolyproline II helixtrans-97.4137165.64.415.9000110.9
866N25.9Very low27.3Very low156 Ų156133.8 Ų133.883%0.83480%0.801SS**PPolyproline II helixtrans-70.5158.2-178.1-84.9-36.8000114.6
867P24.9Very low26.8Very low122 Ų122133.7 Ų133.779%0.79280%0.798SS**PPolyproline II helixtrans-98133.5173.636.8-28.3000113.1
868S28.2Very low26.7Very low104 Ų104133.7 Ų133.773%0.72780%0.802SS**  trans-175.1133.1169.743.40000104.2
869E28.2Very low26.7Very low167 Ų167130.2 Ų130.278%0.7879%0.791SS**  cis-177.4158.626.6-112.9173.5-177.800107
870L26.9Very low26.7Very low141 Ų141133.2 Ų133.274%0.73880%0.797SS**  trans74.1101.3144.1-67.5160.2000122.4
871S25.4Very low26.6Very low90 Ų90137.2 Ų137.263%0.62980%0.795SS**  59.2120.2118.467.80000123
872N23.2Very low26.5Very low156 Ų156135.9 Ų135.983%0.83479%0.788SS**  trans56.5102130.9-62.2-9.5000120.1
873T30.6Very low26.9Very low139 Ų139138.1 Ų138.185%0.85379%0.792SS**  trans-142.2104.7138.952.80000109.4
874S24.6Very low26.6Very low122 Ų122137.9 Ų137.985%0.85379%0.791SS**  trans-73.8115.615949.90000107.7
875D29.5Very low26.7Very low158 Ų158138.7 Ų138.785%0.84579%0.791SS**  trans-137134.7165.8-132.3-12.5000110.8
876S25.6Very low26.4Very low90 Ų90140 Ų14063%0.62979%0.786SS**  trans-103.1149.7-163.160.10000111.4
877M21.1Very low26.3Very low166 Ų166142.3 Ų142.382%0.81879%0.792SS**  trans69.2106.2155.2-59.3175.986.700118.5
878V27.4Very low26.2Very low135 Ų135142.5 Ų142.582%0.81879%0.791SS**  trans-145.6118131.6-177.20000109.1
879P25.3Very low26.1Very low111 Ų111142.4 Ų142.472%0.72180%0.796SS**  trans-88.6134.5171.46.712.2000111.1
880L27.7Very low25.9Very low170 Ų170143.4 Ų143.489%0.8980%0.801SS**  trans-99.4101.9177.3-140.184.8000111.3
881Q27.2Very low25.8Very low161 Ų161142.8 Ų142.875%0.75280%0.803SS**  trans31.6112.8135.7-139.284.2-10.400120.9
882N25.8Very low25.9Very low134 Ų134147.3 Ų147.372%0.71781%0.811SS**  trans16.6124.3135-62-13000120.2
883D31Very low26Very low166 Ų166147 Ų14789%0.88881%0.809SS**  trans-143.3102.6130.5-91.5-35.8000109
884L23.6Very low25.9Very low169 Ų169147.4 Ų147.489%0.88581%0.807SS**  trans-125.2107.1175.8-145.491.9000106.6
885V26.9Very low26Very low130 Ų130150.2 Ų150.279%0.78881%0.806SS**  trans-124.4108.6172.5177.40000109.4
886H25Very low25.7Very low154 Ų154154 Ų15471%0.71381%0.81SS**  trans14.5113.6149.6-74-85.4000119
887Q24.4Very low25.9Very low204 Ų204155.2 Ų155.295%0.95381%0.814SS**  -14796.3129.5-107.8168.655.800109
888T23Very low26Very low126 Ų126154.4 Ų154.477%0.77381%0.813SS**  trans-74.7115.9167.8390000108.8
889A25.3Very low25.9Very low101 Ų101153.5 Ų153.584%0.83581%0.807SS**  trans-130.2131.5162.300000108
890E25.3Very low25.9Very low188 Ų188152.4 Ų152.488%0.87980%0.8SS**  trans-78.6140.3-152.6-61.3165.5152.300113.1K892E890-K892 PolarHBondContact O-N 2.84Å
891T24.7Very low25.6Very low128 Ų128149.1 Ų149.179%0.78580%0.798SS**  trans-58.3114.3164.233.60000111.1
892K25.9Very low25.6Very low186 Ų186149.9 Ų149.981%0.80980%0.801SS**  trans-101.8103.8155.4-87.9-174.6174.8-178.10108.8E890 D894E890-K892 PolarHBondContact O-N 2.84Å; K892-D894 PolarHBondContact O-N 2.84Å
893N25.7Very low25.6Very low148 Ų148151.8 Ų151.879%0.79181%0.805SS**  trans-77.7101.5163.1-68.9-27.9000106.8
894D29.3Very low25.2Very low149 Ų149149.2 Ų149.280%0.79780%0.8SS**  trans-85.9125.1169-77.8-33.3000109.3K892K892-D894 PolarHBondContact O-N 2.84Å
895E26.5Very low25.3Very low181 Ų181146.6 Ų146.685%0.84679%0.793SS**  trans-53.9131.2-176.4-74.5167.3117.600112.8V897E895-V897 PolarHBondContact O-N 2.97Å
896Y23.7Very low25.2Very low236 Ų236145.8 Ų145.893%0.92579%0.793SS**  trans-72106.7161.1-150.2-96.3000107.5D898Y896-D898 PolarHBondContact O-N 3.18Å; Y896-D898 VanDerWaalsContact O-N 3.15Å
897V28.8Very low25.3Very low116 Ų116143.4 Ų143.470%0.70379%0.794SS**  trans-63.3112.7-178.3177.60000109.8E895 V899E895-V897 PolarHBondContact O-N 2.97Å; V897-V899 HydrophobicContact CG1-CG2 3.99Å; V897-V899 PolarHBondContact O-N 2.91Å
898D23.2Very low25.3Very low149 Ų149142.1 Ų142.180%0.79779%0.788SS**  trans-68.9116.9169.9-165.314.4000109.1Y896Y896-D898 PolarHBondContact O-N 3.18Å; Y896-D898 VanDerWaalsContact O-N 3.15Å
899V25.2Very low25.3Very low116 Ų116141 Ų14170%0.70379%0.785SS**  trans-125.1129.4168.2-177.50000108.7V897V897-V899 HydrophobicContact CG1-CG2 3.99Å; V897-V899 PolarHBondContact O-N 2.91Å
900P26Very low25.2Very low89 Ų89144.4 Ų144.458%0.57878%0.781SS**  trans-88.5153-148.8-8.829.1000113.7H902P900-H902 PolarHBondContact O-N 3.33Å
901A22.1Very low25Very low101 Ų101142.3 Ų142.384%0.83578%0.775SS**  trans-50.8102.5169.500000111.9
902H25.6Very low24.8Very low176 Ų176142.7 Ų142.782%0.81577%0.772SS**  trans-82.7121.8167.9-88.6-74000110.5P900 S904P900-H902 PolarHBondContact O-N 3.33Å; H902-S904 PolarHBondContact O-N 3.46Å
903H26.2Very low24.7Very low175 Ų175139.6 Ų139.681%0.8177%0.768SS**  trans-37.8126.8175-69-80.9000114.7P905H903-P905 WeakPolarHBondContact O-CD 3.37Å
904S23.6Very low24.5Very low112 Ų112137.3 Ų137.378%0.78376%0.764SS**  trans-58.512216046.60000111.3H902 S906H902-S904 PolarHBondContact O-N 3.46Å; S904-S906 PolarHBondContact O-N 2.84Å
905P25.6Very low24.3Very low113 Ų113136.4 Ų136.473%0.73476%0.764SS**  trans-86.3109.8164.631.2-24.9000108.9H903 S907H903-P905 WeakPolarHBondContact O-CD 3.37Å; P905-S907 PolarHBondContact O-N 2.61Å; P905-S907 VanDerWaalsContact O-N 3.08Å
906S24.4Very low24.1Very low113 Ų113135 Ų13579%0.7976%0.762SS**  trans-58.5103.9163.849.50000110S904S904-S906 PolarHBondContact O-N 2.84Å
907S26.1Very low24.1Very low105 Ų105128.9 Ų128.973%0.73475%0.754SS**  trans-118.491.4167.1-61.90000108.5P905 S909P905-S907 PolarHBondContact O-N 2.61Å; P905-S907 VanDerWaalsContact O-N 3.08Å; S907-S909 PolarHBondContact O-N 2.76Å; S907-S909 VanDerWaalsContact O-N 3.08Å
908Q24.5Very low23.9Very low176 Ų176129 Ų12982%0.82276%0.755SS**  trans-65.394.2170.6-67.1172.2-7.600109.3
909S23.6Very low23.8Very low103 Ų103132.4 Ų132.472%0.7276%0.756SS**  trans-9888.3160.652.80000108.9S907 I911S907-S909 PolarHBondContact O-N 2.76Å; S907-S909 VanDerWaalsContact O-N 3.08Å; S909-I911 PolarHBondContact O-N 3.35Å
910K22.4Very low23.8Very low172 Ų172132.8 Ų132.875%0.74876%0.759SS**  trans-60.298.2164.9-73.8176.2176.8175.30108.5N912K910-N912 PolarHBondContact O-N 3.1Å
911I21.4Very low23.8Very low145 Ų145134.8 Ų134.874%0.74476%0.764SS**  trans-82.493.2163.8-59.3178.6000106.3S909 V913S909-I911 PolarHBondContact O-N 3.35Å; I911-V913 VanDerWaalsContact C-N 3.33Å; I911-V913 HydrophobicContact CG2-CG2 3.96Å; I911-V913 PolarHBondContact O-N 3.44Å
912N21.6Very low23.9Very low136 Ų136138 Ų13873%0.72777%0.768SS**  trans-65.190.7169.5-73.9-22.5000108.6K910 S914K910-N912 PolarHBondContact O-N 3.1Å; N912-S914 PolarHBondContact O-N 3.37Å
913V22.8Very low23.9Very low121 Ų121137.2 Ų137.273%0.73377%0.768SS**  trans-85.595.4161.4-1760000106.7I911 T915I911-V913 VanDerWaalsContact C-N 3.33Å; I911-V913 HydrophobicContact CG2-CG2 3.96Å; I911-V913 PolarHBondContact O-N 3.44Å; V913-T915 PolarHBondContact O-N 2.98Å
914S22.4Very low24Very low99 Ų99137.1 Ų137.169%0.69277%0.767SS**  trans-54.3104.9172.9-52.50000109.5N912 N916N912-S914 PolarHBondContact O-N 3.37Å; S914-N916 PolarHBondContact O-N 3.25Å
915T24Very low24.2Very low131 Ų131137 Ų13780%0.80477%0.766SS**  trans-62.7102.1163.342.20000107.6V913 S917V913-T915 PolarHBondContact O-N 2.98Å; T915-S917 PolarHBondContact O-N 2.89Å
916N24Very low24.4Very low151 Ų151136.9 Ų136.981%0.80777%0.768SS**  trans-63.493.8167-96.6-12.6000108.1S914 V918S914-N916 PolarHBondContact O-N 3.25Å; N916-V918 PolarHBondContact O-N 2.93Å
917S22.9Very low24.8Very low107 Ų107138.8 Ų138.875%0.74877%0.77SS**  trans-58.886.2164.8150.10000108.5T915 R919T915-S917 PolarHBondContact O-N 2.89Å; S917-R919 PolarHBondContact O-N 2.87Å; S917-R919 VanDerWaalsContact O-N 3.16Å
918V24.3Very low25.1Very low119 Ų119139 Ų13972%0.72177%0.771SS**  trans-76.1100.4161.6-179.20000106.2N916 V920N916-V918 PolarHBondContact O-N 2.93Å; V918-V920 HydrophobicContact CG1-CG2 4.13Å; V918-V920 PolarHBondContact O-N 2.93Å
919R21.8Very low25.6Very low220 Ų220136.8 Ų136.883%0.8376%0.764SS**  trans-49.6109.3162.9-98.9178.2168141.9-4.5107.8S917S917-R919 PolarHBondContact O-N 2.87Å; S917-R919 VanDerWaalsContact O-N 3.16Å
920V25.1Very low26.2Very low125 Ų125135.3 Ų135.376%0.75875%0.752SS**  trans-113.5116.1158.4-178.50000105.4V918V918-V920 HydrophobicContact CG1-CG2 4.13Å; V918-V920 PolarHBondContact O-N 2.93Å
921D25.5Very low27Very low130 Ų130134 Ų13470%0.69575%0.752SS**  trans-57.2147.8-173.4-67.3-54.8000112.7I923D921-I923 PolarHBondContact O-N 3Å
922N23.9Very low28.1Very low170 Ų170130.4 Ų130.491%0.90973%0.729SS**  trans-38.5103.1169.6-76.6-38.4000112.4
923I25.8Very low29.3Very low158 Ų158129.1 Ų129.181%0.8173%0.729SS**  trans-114.8117.6159.5-60.1176.9000106.9D921D921-I923 PolarHBondContact O-N 3Å
924H28.4Very low30.8Very low174 Ų174124.4 Ų124.481%0.80670%0.703SS**  trans-33.2133.4-179.4-81-94000115S926H924-S926 PolarHBondContact O-N 3.43Å
925S28.2Very low32.8Very low109 Ų109123.1 Ų123.176%0.76269%0.69SS**  trans-41.4105.416851.40000111.8
926S29.9Very low34.9Very low111 Ų111120.5 Ų120.578%0.77667%0.668SS**  trans-95114.7159.848.50000106.5H924 S928H924-S926 PolarHBondContact O-N 3.43Å; S926-S928 PolarHBondContact O-N 2.82Å
927D33.1Very low37.2Very low152 Ų152117.8 Ų117.881%0.81365%0.646SS**  trans-54.8102.2-178.4-65.6-39.3000110.2I929D927-I929 PolarHBondContact O-N 3.22Å; D927-I929 VanDerWaalsContact O-N 3.12Å
928S31.5Very low39.7Very low109 Ų109116.3 Ų116.376%0.76263%0.63SS**  trans-68.1106.1169.554.30000108.1S926 P930S926-S928 PolarHBondContact O-N 2.82Å; S928-P930 WeakPolarHBondContact O-CD 3.3Å
929I35.6Very low42.4Very low131 Ų131110.8 Ų110.867%0.67260%0.597SS**PPolyproline II helixtrans-60.7121.5176.4-58.5167.3000107.9T730 D927 L931T730-I929 HydrophobicContact CG2-CG2 4.46Å; D927-I929 PolarHBondContact O-N 3.22Å; D927-I929 VanDerWaalsContact O-N 3.12Å; I929-L931 PolarHBondContact O-N 3.33Å
930P36Very low45.6Very low72 Ų72100.3 Ų100.347%0.46856%0.558SS.*PPolyproline II helixtrans-63.8124.4176.9-15.227.3000110.1S928 Y932S928-P930 WeakPolarHBondContact O-CD 3.3Å; P930-Y932 HydrophobicContact CB-CD2 4.46Å; P930-Y932 HydrophobicContact CB-CE2 3.78Å; P930-Y932 HydrophobicContact CG-CE2 4.43Å; P930-Y932 WeakPolarHBondContact O-CD2 3.48Å
931L38.9Very low48.7Very low144 Ų14494.4 Ų94.475%0.75452%0.522SS*.PPolyproline II helixtrans-80.8119.6167.8-72.8166.1000108.2T730 I929T730-L931 HydrophobicContact CG2-CD2 4.2Å; I929-L931 PolarHBondContact O-N 3.33Å
932Y44.6Very low51.8Low69 Ų6988.2 Ų88.227%0.27149%0.489SS..PPolyproline II helixtrans-98.7121.7172.7-62-93.9000108.5P930 A934 L1173 D1174P930-Y932 HydrophobicContact CB-CD2 4.46Å; P930-Y932 HydrophobicContact CB-CE2 3.78Å; P930-Y932 HydrophobicContact CG-CE2 4.43Å; P930-Y932 WeakPolarHBondContact O-CD2 3.48Å; Y932-A934 PolarHBondContact O-N 2.94Å; Y932-A934 VanDerWaalsContact O-N 3.16Å; Y932-L1173 HydrophobicContact CE2-CD2 4.28Å; Y932-D1174 PolarHBondContact OH-OD2 2.98Å
933P47.6Very low54.9Low110 Ų11081.9 Ų81.971%0.71446%0.456SS*.PPolyproline II helixtrans-61.7119.6169.824.7-30.1000108.7
934A54.5Low57.9Low22 Ų2278.4 Ų78.418%0.18244%0.44CS..PPolyproline II helixtrans-76.4127.2173.200000109.3F731 Y932 G948 L950F731-A934 HydrophobicContact CD1-CB 4.29Å; Y932-A934 PolarHBondContact O-N 2.94Å; Y932-A934 VanDerWaalsContact O-N 3.16Å; A934-G948 WeakPolarHBondContact CA-O 3.34Å; A934-L950 HydrophobicContact CB-CD1 3.83Å
935V64Low60.5Low72 Ų7270.3 Ų70.344%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-110.7125.1176.3177.10000108R937 G948 D949 L950V935-R937 HydrophobicContact CG1-CG 4.44Å; V935-G948 PolarHBondContact N-O 3.26Å; V935-D949 WeakPolarHBondContact CB-OD1 3.33Å; V935-D949 CarbonylContact O-C 3.57Å; V935-D949 VanDerWaalsContact O-CA 3.31Å; V935-D949 WeakPolarHBondContact O-CA 3.32Å; V935-L950 PolarHBondContact O-N 3.17Å
936F67.2Low63Low76 Ų7667.4 Ų67.433%0.33338%0.376SS..EExtended strand (participates in β ladder)trans-88128.5176.7-63.9-86.6000111.3P721 L724 L733 L950 L952P721-F936 HydrophobicContact CB-CE1 3.95Å; P721-F936 HydrophobicContact CG-CE1 4.42Å; L724-F936 HydrophobicContact CD1-CE1 3.4Å; L724-F936 VanDerWaalsContact CD1-CE1 3.4Å; L724-F936 HydrophobicContact CD1-CE2 4.14Å; L724-F936 HydrophobicContact CD1-CZ 3.07Å; L733-F936 HydrophobicContact CD1-CE2 4.43Å; F936-L950 CarbonylContact C-O 3.52Å; F936-L950 WeakPolarHBondContact CA-O 2.99Å; F936-L950 HydrophobicContact CD1-CB 4.05Å; F936-L950 HydrophobicContact CE1-CB 4.3Å; F936-L952 HydrophobicContact CB-CD2 3.62Å; F936-L952 HydrophobicContact CB-CG 4.2Å; F936-L952 HydrophobicContact CG-CD2 4.44Å
937R72.3Confident65.2Low94 Ų9463.8 Ų63.836%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-118.2143.3178.8-66.4-165.8-179.7-130.17111.4V935 W945 D949 L950 P951 L952V935-R937 HydrophobicContact CG1-CG 4.44Å; R937-W945 HydrophobicContact CB-CH2 3.54Å; R937-W945 HydrophobicContact CB-CZ2 3.57Å; R937-W945 HydrophobicContact CB-CZ3 4.04Å; R937-D949 HydrophobicContact CG-CB 4.41Å; R937-D949 IonicContact CZ-OD1 3.47Å; R937-D949 IonicContact CZ-OD2 3.18Å; R937-D949 IonicContact NE-OD1 2.62Å; R937-D949 PolarHBondContact NE-OD1 3.38Å; R937-D949 IonicContact NE-OD2 2.75Å; R937-D949 PolarHBondContact NE-OD2 2.97Å; R937-D949 IonicContact NH2-OD1 3.55Å; R937-D949 IonicContact NH2-OD2 3.4Å; R937-D949 PolarHBondContact NH2-OD2 2.93Å; R937-L950 PolarHBondContact N-O 3.47Å; R937-P951 CarbonylContact O-C 3.47Å; R937-P951 WeakPolarHBondContact O-CA 3.41Å; R937-L952 PolarHBondContact O-N 2.83Å
938D75Confident66.9Low75 Ų7556.8 Ų56.840%0.40131%0.312SS..SBendtrans-75.7129.8164.6-16415.1000108.8L952 H1237 G1239D938-L952 HydrophobicContact CB-CD1 3.8Å; D938-H1237 IonicContact OD1-CE1 2.69Å; D938-G1239 VanDerWaalsContact O-CA 3.22Å; D938-G1239 WeakPolarHBondContact O-CA 3.45Å
939G81.6Confident68.9Low3 Ų352 Ų523%0.03128%0.278CS..SBendtrans143.7170.1-169.500000115.8H1237G939-H1237 WeakPolarHBondContact CA-CE1 3.44Å; G939-H1237 WeakPolarHBondContact CA-NE2 3.4Å; G939-H1237 PolarHBondContact N-CE1 2.73Å; G939-H1237 PolarHBondContact N-NE2 2.84Å
940V89.4Confident70.6Confident0 Ų046.4 Ų46.40%025%0.25CC..  trans-95.2130.8163.2-174.70000107.6N942 F1159 P1233 H1237V940-N942 PolarHBondContact O-N 2.81Å; V940-N942 PolarHBondContact O-ND2 2.91Å; V940-F1159 HydrophobicContact CB-CD1 3.55Å; V940-F1159 HydrophobicContact CB-CE1 3.9Å; V940-F1159 HydrophobicContact CG1-CB 4.32Å; V940-F1159 HydrophobicContact CG1-CD1 3.69Å; V940-F1159 HydrophobicContact CG1-CG 4.42Å; V940-F1159 WeakPolarHBondContact O-CD1 3.49Å; V940-F1159 WeakPolarHBondContact O-CE1 3.35Å; V940-P1233 HydrophobicContact CG1-CG 4Å; V940-P1233 HydrophobicContact CG2-CB 4.35Å; V940-P1233 HydrophobicContact CG2-CG 4.49Å; V940-H1237 PolarHBondContact N-O 3.03Å
941P88.8Confident72.5Confident2 Ų243.2 Ų43.21%0.01323%0.229CC..  trans-54.2135.3178.4-26.734.8000112.2W945 P951 F1159 H1160P941-W945 HydrophobicContact CB-CE3 4.07Å; P941-W945 HydrophobicContact CB-CZ3 4.19Å; P941-W945 HydrophobicContact CG-CE3 4.31Å; P941-W945 HydrophobicContact CG-CZ3 3.92Å; P941-P951 HydrophobicContact CG-CB 4.07Å; P941-P951 HydrophobicContact CG-CG 3.82Å; P941-F1159 WeakPolarHBondContact O-CA 3.3Å; P941-H1160 PolarHBondContact O-N 2.96Å
942N91.6Very high74Confident0 Ų039.6 Ų39.60%021%0.21CC..BIsolated β-bridgetrans-151.8170.9-174.865.377.4000111.9V940 N944 W945 P1157 I1158 F1159 H1160 D1238V940-N942 PolarHBondContact O-N 2.81Å; V940-N942 PolarHBondContact O-ND2 2.91Å; N942-N944 PolarHBondContact O-N 3.12Å; N942-N944 WeakPolarHBondContact OD1-CA 3.4Å; N942-N944 VanDerWaalsContact OD1-CB 3.29Å; N942-N944 WeakPolarHBondContact OD1-CB 2.9Å; N942-N944 PolarHBondContact OD1-N 3.2Å; N942-W945 PolarHBondContact ND2-NE1 2.97Å; N942-W945 WeakPolarHBondContact O-CB 3.28Å; N942-W945 PolarHBondContact O-N 2.94Å; N942-P1157 HydrophobicContact CB-CB 4.13Å; N942-I1158 CarbonylContact C-O 3.6Å; N942-I1158 WeakPolarHBondContact CA-O 3.23Å; N942-I1158 WeakPolarHBondContact CB-O 3.29Å; N942-F1159 HydrophobicContact CB-CD1 3.69Å; N942-F1159 HydrophobicContact CB-CE1 3.83Å; N942-F1159 HydrophobicContact CB-CG 4.16Å; N942-F1159 HydrophobicContact CB-CZ 4.4Å; N942-H1160 WeakPolarHBondContact CA-NE2 3.43Å; N942-H1160 PolarHBondContact O-NE2 2.98Å; N942-D1238 VanDerWaalsContact ND2-CA 3.32Å; N942-D1238 WeakPolarHBondContact ND2-CA 3.35Å; N942-D1238 WeakPolarHBondContact ND2-CB 3.29Å
943T89.3Confident75.5Confident37 Ų3739 Ų3923%0.22721%0.208CC..THydrogen-bonded Turntrans-63-13.9-175.648.20000115.3I1158 H1160T943-I1158 HydrophobicContact CG2-CB 3.74Å; T943-I1158 HydrophobicContact CG2-CD1 4.42Å; T943-I1158 HydrophobicContact CG2-CG1 4.35Å; T943-I1158 PolarHBondContact N-O 2.69Å; T943-I1158 PolarHBondContact OG1-N 3.41Å; T943-H1160 PolarHBondContact N-NE2 3.02Å
944N87.8Confident76.9Confident85 Ų8535.3 Ų35.346%0.45518%0.184SC..THydrogen-bonded Turntrans-89.6-6.3175.6-59.6-6.7000112.2N942 Y1214N942-N944 PolarHBondContact O-N 3.12Å; N942-N944 WeakPolarHBondContact OD1-CA 3.4Å; N942-N944 VanDerWaalsContact OD1-CB 3.29Å; N942-N944 WeakPolarHBondContact OD1-CB 2.9Å; N942-N944 PolarHBondContact OD1-N 3.2Å; N944-Y1214 WeakPolarHBondContact O-CD1 3.01Å; N944-Y1214 WeakPolarHBondContact O-CE1 3.17Å
945W83.3Confident78.4Confident4 Ų434.7 Ų34.72%0.01518%0.178CC..SBendtrans-79.4147.9176-73.317.8000110.5R937 P941 N942 D949 P951 Y1214 Q1215 D1238R937-W945 HydrophobicContact CB-CH2 3.54Å; R937-W945 HydrophobicContact CB-CZ2 3.57Å; R937-W945 HydrophobicContact CB-CZ3 4.04Å; P941-W945 HydrophobicContact CB-CE3 4.07Å; P941-W945 HydrophobicContact CB-CZ3 4.19Å; P941-W945 HydrophobicContact CG-CE3 4.31Å; P941-W945 HydrophobicContact CG-CZ3 3.92Å; N942-W945 PolarHBondContact ND2-NE1 2.97Å; N942-W945 WeakPolarHBondContact O-CB 3.28Å; N942-W945 PolarHBondContact O-N 2.94Å; W945-D949 HydrophobicContact CB-CB 4.1Å; W945-D949 HydrophobicContact CD2-CB 4.31Å; W945-D949 HydrophobicContact CE3-CB 3.88Å; W945-D949 HydrophobicContact CG-CB 4.46Å; W945-P951 HydrophobicContact CH2-CB 4.14Å; W945-P951 HydrophobicContact CZ3-CB 4.11Å; W945-Y1214 CarbonylContact O-C 3.5Å; W945-Y1214 WeakPolarHBondContact O-CA 3.48Å; W945-Q1215 HydrophobicContact CB-CG 4.34Å; W945-Q1215 WeakPolarHBondContact O-CG 3.17Å; W945-Q1215 PolarHBondContact O-N 2.9Å; W945-D1238 PolarHBondContact NE1-O 2.98Å
946F82Confident79.7Confident48 Ų4831.6 Ų31.621%0.21116%0.158CC..BIsolated β-bridgetrans-86.1152.8179.1-64.1-67.1000111.7G948 D949 E1212 Y1214 Q1215F946-G948 PolarHBondContact O-N 3.03Å; F946-G948 VanDerWaalsContact O-N 3.17Å; F946-D949 PolarHBondContact N-OD2 3.13Å; F946-D949 VanDerWaalsContact O-CB 3.32Å; F946-D949 WeakPolarHBondContact O-CB 3.22Å; F946-D949 PolarHBondContact O-N 2.87Å; F946-E1212 HydrophobicContact CD1-CB 3.71Å; F946-E1212 HydrophobicContact CE1-CB 3.5Å; F946-E1212 HydrophobicContact CE1-CG 4.47Å; F946-E1212 HydrophobicContact CZ-CB 4.25Å; F946-E1212 VanDerWaalsContact CZ-OE2 3.29Å; F946-E1212 WeakPolarHBondContact CZ-OE2 3.43Å; F946-Y1214 HydrophobicContact CD1-CD1 4.01Å; F946-Y1214 AromaticContact CD1-CE1 3.98Å; F946-Y1214 HydrophobicContact CD1-CE1 3.98Å; F946-Y1214 AromaticContact CE1-CD1 3.99Å; F946-Y1214 HydrophobicContact CE1-CD1 3.99Å; F946-Y1214 AromaticContact CE1-CE1 3.49Å; F946-Y1214 HydrophobicContact CE1-CE1 3.49Å; F946-Y1214 VanDerWaalsContact CE1-CE1 3.49Å; F946-Y1214 HydrophobicContact CE1-CE2 4.36Å; F946-Y1214 AromaticContact CE1-CZ 3.7Å; F946-Y1214 AromaticContact CZ-CE1 3.98Å; F946-Y1214 HydrophobicContact CZ-CE1 3.98Å; F946-Q1215 VanDerWaalsContact C-CG 3.48Å; F946-Q1215 VanDerWaalsContact O-CG 3.26Å; F946-Q1215 WeakPolarHBondContact O-CG 3.15Å; F946-Q1215 PolarHBondContact O-NE2 3.47Å
947V75.5Confident80.9Confident35 Ų3528.8 Ų28.821%0.21215%0.148CC..THydrogen-bonded Turntrans-53.9123.4173.1174.10000109.9L1173 K1213V947-L1173 HydrophobicContact CG1-CD2 4.09Å; V947-L1173 HydrophobicContact CG1-CG 4.46Å; V947-K1213 HydrophobicContact CG2-CB 4.04Å; V947-K1213 WeakPolarHBondContact CG2-O 3.47Å; V947-K1213 PolarHBondContact N-O 3.01Å
948G68.3Low81.9Confident5 Ų524.3 Ų24.35%0.05213%0.131CC..THydrogen-bonded Turntrans100.6-13.6-174.700000115.2A934 V935 F946 L950A934-G948 WeakPolarHBondContact CA-O 3.34Å; V935-G948 PolarHBondContact N-O 3.26Å; F946-G948 PolarHBondContact O-N 3.03Å; F946-G948 VanDerWaalsContact O-N 3.17Å; G948-L950 PolarHBondContact O-N 3.13Å
949D73.6Confident82.9Confident7 Ų722 Ų224%0.03712%0.117CC..EExtended strand (participates in β ladder)trans-68.6126.3171-71-35.4000110.4V935 R937 W945 F946 Q1215V935-D949 WeakPolarHBondContact CB-OD1 3.33Å; V935-D949 CarbonylContact O-C 3.57Å; V935-D949 VanDerWaalsContact O-CA 3.31Å; V935-D949 WeakPolarHBondContact O-CA 3.32Å; R937-D949 HydrophobicContact CG-CB 4.41Å; R937-D949 IonicContact CZ-OD1 3.47Å; R937-D949 IonicContact CZ-OD2 3.18Å; R937-D949 IonicContact NE-OD1 2.62Å; R937-D949 PolarHBondContact NE-OD1 3.38Å; R937-D949 IonicContact NE-OD2 2.75Å; R937-D949 PolarHBondContact NE-OD2 2.97Å; R937-D949 IonicContact NH2-OD1 3.55Å; R937-D949 IonicContact NH2-OD2 3.4Å; R937-D949 PolarHBondContact NH2-OD2 2.93Å; W945-D949 HydrophobicContact CB-CB 4.1Å; W945-D949 HydrophobicContact CD2-CB 4.31Å; W945-D949 HydrophobicContact CE3-CB 3.88Å; W945-D949 HydrophobicContact CG-CB 4.46Å; F946-D949 PolarHBondContact N-OD2 3.13Å; F946-D949 VanDerWaalsContact O-CB 3.32Å; F946-D949 WeakPolarHBondContact O-CB 3.22Å; F946-D949 PolarHBondContact O-N 2.87Å; D949-Q1215 PolarHBondContact O-NE2 3.4Å
950L72Confident83.6Confident15 Ų1522 Ų228%0.07912%0.117CC..EExtended strand (participates in β ladder)trans-120.6143.9179-62.8173.5000109.6L724 A934 V935 F936 R937 G948L724-L950 HydrophobicContact CD1-CD1 3.79Å; L724-L950 HydrophobicContact CD2-CD1 4.37Å; L724-L950 HydrophobicContact CG-CD1 4.41Å; A934-L950 HydrophobicContact CB-CD1 3.83Å; V935-L950 PolarHBondContact O-N 3.17Å; F936-L950 CarbonylContact C-O 3.52Å; F936-L950 WeakPolarHBondContact CA-O 2.99Å; F936-L950 HydrophobicContact CD1-CB 4.05Å; F936-L950 HydrophobicContact CE1-CB 4.3Å; R937-L950 PolarHBondContact N-O 3.47Å; G948-L950 PolarHBondContact O-N 3.13Å
951P76.2Confident83.7Confident5 Ų522.5 Ų22.53%0.03212%0.119CC..EExtended strand (participates in β ladder)trans-70.2146.1177.830.8-34.5000110.4S720 P721 R937 P941 W945 Y953S720-P951 WeakPolarHBondContact OG-CD 3.33Å; P721-P951 WeakPolarHBondContact CG-O 3.47Å; R937-P951 CarbonylContact O-C 3.47Å; R937-P951 WeakPolarHBondContact O-CA 3.41Å; P941-P951 HydrophobicContact CG-CB 4.07Å; P941-P951 HydrophobicContact CG-CG 3.82Å; W945-P951 HydrophobicContact CH2-CB 4.14Å; W945-P951 HydrophobicContact CZ3-CB 4.11Å; P951-Y953 PolarHBondContact O-N 2.94Å
952L69.7Low83.8Confident68 Ų6823.4 Ų23.436%0.35613%0.129SC..SBendtrans-61.9-31.3174.2-79.1170.8000112.6P721 F936 R937 D938P721-L952 WeakPolarHBondContact CG-O 3.37Å; F936-L952 HydrophobicContact CB-CD2 3.62Å; F936-L952 HydrophobicContact CB-CG 4.2Å; F936-L952 HydrophobicContact CG-CD2 4.44Å; R937-L952 PolarHBondContact O-N 2.83Å; D938-L952 HydrophobicContact CB-CD1 3.8Å
953Y75.5Confident83.9Confident57 Ų5728 Ų2822%0.22415%0.149CC..SBendtrans-141.2144.8-179.8-24.6-77.1000109.9K696 W700 P951 S955K696-Y953 HydrophobicContact CB-CD2 4.24Å; K696-Y953 HydrophobicContact CB-CE2 3.91Å; K696-Y953 HydrophobicContact CD-CE1 4.16Å; K696-Y953 HydrophobicContact CD-CE2 3.98Å; K696-Y953 HydrophobicContact CG-CD2 4.08Å; K696-Y953 HydrophobicContact CG-CE1 4.43Å; K696-Y953 HydrophobicContact CG-CE2 3.84Å; K696-Y953 HydrophobicContact CG-CG 4.47Å; W700-Y953 HydrophobicContact CG-CG 4.45Å; P951-Y953 PolarHBondContact O-N 2.94Å; Y953-S955 PolarHBondContact O-N 2.76Å
954P78Confident84Confident32 Ų3228.2 Ų28.221%0.20815%0.146CC..  trans-70.4107.6-179.628-33.2000110.8W956P954-W956 VanDerWaalsContact C-N 3.29Å
955S86.3Confident84.1Confident8 Ų831.8 Ų31.86%0.05616%0.158CC..SBendtrans-78.9-11.2177-70.90000114Y953 R1231 P1233Y953-S955 PolarHBondContact O-N 2.76Å; S955-R1231 PolarHBondContact O-NH1 2.67Å; S955-R1231 PolarHBondContact O-NH2 3.05Å; S955-P1233 WeakPolarHBondContact O-CG 3.48Å
956W90.5Very high84.4Confident7 Ų734.2 Ų34.23%0.02718%0.176CC..  trans-119160176.3-59.184.5000110.2L719 P954 P1146 I1148 H1160 L1161 R1231 L1232 P1233L719-W956 HydrophobicContact CD1-CB 3.46Å; L719-W956 VanDerWaalsContact CD1-CB 3.46Å; P954-W956 VanDerWaalsContact C-N 3.29Å; W956-P1146 HydrophobicContact CE3-CG 4.3Å; W956-P1146 HydrophobicContact CH2-CB 3.83Å; W956-P1146 HydrophobicContact CH2-CG 3.93Å; W956-P1146 HydrophobicContact CZ3-CB 3.81Å; W956-P1146 HydrophobicContact CZ3-CG 3.74Å; W956-I1148 HydrophobicContact CH2-CD1 3.54Å; W956-I1148 HydrophobicContact CH2-CG1 4.19Å; W956-I1148 HydrophobicContact CZ2-CD1 4.23Å; W956-I1148 HydrophobicContact CZ3-CD1 4.41Å; W956-H1160 PolarHBondContact NE1-O 2.78Å; W956-L1161 HydrophobicContact CB-CD2 3.95Å; W956-L1161 HydrophobicContact CD2-CD2 3.73Å; W956-L1161 HydrophobicContact CE3-CD2 3.87Å; W956-L1161 HydrophobicContact CG-CD2 3.77Å; W956-R1231 VanDerWaalsContact C-NH2 3.31Å; W956-L1232 HydrophobicContact CE3-CG 4.34Å; W956-L1232 HydrophobicContact CH2-CG 4.21Å; W956-L1232 HydrophobicContact CZ3-CB 4.23Å; W956-L1232 HydrophobicContact CZ3-CD1 4.1Å; W956-L1232 HydrophobicContact CZ3-CG 3.6Å; W956-P1233 VanDerWaalsContact CD2-CD 3.42Å; W956-P1233 HydrophobicContact CD2-CG 3.84Å; W956-P1233 VanDerWaalsContact CE2-CD 3.43Å; W956-P1233 VanDerWaalsContact CE2-CG 3.47Å; W956-P1233 HydrophobicContact CE3-CG 4.49Å; W956-P1233 HydrophobicContact CG-CG 4.16Å; W956-P1233 HydrophobicContact CH2-CG 4.47Å; W956-P1233 HydrophobicContact CZ2-CG 3.81Å
957S91.5Very high84.9Confident17 Ų1732.6 Ų32.612%0.11917%0.168CC..EExtended strand (participates in β ladder)trans-151.7141.5170.360.50000112.2Y959 R1231S957-Y959 WeakPolarHBondContact OG-CE2 3.35Å; S957-R1231 PolarHBondContact N-O 2.65Å; S957-R1231 PolarHBondContact O-N 2.86Å; S957-R1231 WeakPolarHBondContact OG-CB 3.26Å; S957-R1231 PolarHBondContact OG-NE 3.29Å; S957-R1231 VanDerWaalsContact OG-NE 3.1Å
958I94.6Very high85.6Confident1 Ų132.7 Ų32.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-127.6121.5-177.1-56.8178.4000109.1N716 I717 F1144 V1220 L1222 W1228 V1229 I1230N716-I958 WeakPolarHBondContact CA-O 3.32Å; N716-I958 VanDerWaalsContact CB-O 3.28Å; N716-I958 WeakPolarHBondContact CB-O 3.45Å; I717-I958 HydrophobicContact CB-CB 4.21Å; I717-I958 HydrophobicContact CB-CG2 4.32Å; I717-I958 HydrophobicContact CD1-CG2 3.99Å; I717-I958 HydrophobicContact CG1-CG2 4.18Å; I717-I958 PolarHBondContact N-O 2.8Å; I958-F1144 HydrophobicContact CD1-CD1 4.42Å; I958-V1220 HydrophobicContact CD1-CG1 4.45Å; I958-V1220 HydrophobicContact CD1-CG2 3.61Å; I958-L1222 HydrophobicContact CG2-CD2 4.19Å; I958-W1228 HydrophobicContact CG2-CE3 3.84Å; I958-W1228 HydrophobicContact CG2-CZ3 4.14Å; I958-V1229 WeakPolarHBondContact CA-O 3.32Å; I958-I1230 HydrophobicContact CD1-CG1 4.35Å; I958-I1230 HydrophobicContact CG1-CB 4.42Å; I958-I1230 HydrophobicContact CG1-CG1 3.99Å; I958-I1230 HydrophobicContact CG1-CG2 4.06Å; I958-I1230 HydrophobicContact CG2-CG1 4.15Å
959Y94.9Very high86.3Confident25 Ų2537.7 Ų37.710%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-127.3143.3-178-62.5-81.3000111.6C682 C711 L714 T715 N716 S957 W1228 V1229C682-Y959 HydrophobicContact CB-CD2 4.22Å; C682-Y959 HydrophobicContact CB-CG 4.37Å; C711-Y959 HydrophobicContact CB-CD1 4.45Å; C711-Y959 HydrophobicContact CB-CE1 3.81Å; C711-Y959 HydrophobicContact CB-CE2 4.18Å; L714-Y959 HydrophobicContact CB-CD1 3.99Å; L714-Y959 HydrophobicContact CD1-CD1 4.48Å; L714-Y959 HydrophobicContact CD1-CG 4.47Å; T715-Y959 CarbonylContact O-C 3.56Å; T715-Y959 WeakPolarHBondContact O-CA 3.44Å; N716-Y959 HydrophobicContact CB-CD1 3.6Å; N716-Y959 HydrophobicContact CB-CE1 3.71Å; N716-Y959 HydrophobicContact CB-CG 4.48Å; S957-Y959 WeakPolarHBondContact OG-CE2 3.35Å; Y959-W1228 VanDerWaalsContact C-CE3 3.46Å; Y959-W1228 CarbonylContact O-C 3.57Å; Y959-W1228 WeakPolarHBondContact O-CA 3.31Å; Y959-V1229 PolarHBondContact N-O 3.05Å; Y959-V1229 PolarHBondContact O-N 3.25Å
960A96Very high86.9Confident3 Ų342.5 Ų42.53%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-90.8113.5163.700000108.6T715 G962 Y1226 L1227 W1228T715-A960 PolarHBondContact O-N 3.4Å; T715-A960 WeakPolarHBondContact OG1-CB 3.21Å; A960-G962 VanDerWaalsContact C-N 3.29Å; A960-G962 PolarHBondContact O-N 2.84Å; A960-Y1226 HydrophobicContact CB-CD1 4.07Å; A960-Y1226 HydrophobicContact CB-CG 4.29Å; A960-L1227 CarbonylContact C-O 3.59Å; A960-L1227 WeakPolarHBondContact CA-O 3.49Å; A960-W1228 HydrophobicContact CB-CD2 4.1Å; A960-W1228 HydrophobicContact CB-CE3 3.76Å; A960-W1228 HydrophobicContact CB-CH2 3.75Å; A960-W1228 HydrophobicContact CB-CZ2 4.09Å; A960-W1228 HydrophobicContact CB-CZ3 3.57Å
961L92Very high87.7Confident11 Ų1145.2 Ų45.26%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-70.4-27.8-179.6-70178.6000112.5C682 R684 L714 Y1132 L1227 V1229C682-L961 HydrophobicContact CB-CD2 3.67Å; R684-L961 HydrophobicContact CG-CD2 4.43Å; R684-L961 PolarHBondContact NH2-O 3.14Å; L714-L961 HydrophobicContact CD1-CD2 3.89Å; L961-Y1132 HydrophobicContact CD1-CD1 4.15Å; L961-Y1132 HydrophobicContact CD1-CE1 3.66Å; L961-L1227 HydrophobicContact CB-CB 4.47Å; L961-L1227 HydrophobicContact CB-CD2 4.08Å; L961-L1227 HydrophobicContact CB-CG 4.18Å; L961-L1227 HydrophobicContact CD1-CD2 3.93Å; L961-L1227 HydrophobicContact CD1-CG 4.14Å; L961-L1227 PolarHBondContact N-O 3.13Å; L961-V1229 HydrophobicContact CD1-CB 4.1Å; L961-V1229 HydrophobicContact CD1-CG1 4.01Å; L961-V1229 HydrophobicContact CD2-CG1 3.85Å; L961-V1229 HydrophobicContact CG-CB 4.28Å; L961-V1229 HydrophobicContact CG-CG1 3.71Å
962G91.8Very high88.4Confident21 Ų2145 Ų4522%0.21625%0.245CC..EExtended strand (participates in β ladder)trans164.1-166.6-174.200000110.2A960 Y1226 L1227A960-G962 VanDerWaalsContact C-N 3.29Å; A960-G962 PolarHBondContact O-N 2.84Å; G962-Y1226 WeakPolarHBondContact O-CA 3.28Å; G962-Y1226 WeakPolarHBondContact O-CD1 3.24Å; G962-L1227 PolarHBondContact O-N 3.4Å
963K94Very high89.3Confident96 Ų9641.8 Ų41.842%0.41723%0.228SC..EExtended strand (participates in β ladder)trans-68.2159175.5-61.8-59.7-175.7-177.60110.5F965 S966 G1225 Y1226K963-F965 HydrophobicContact CB-CD1 3.89Å; K963-F965 HydrophobicContact CB-CD2 4.31Å; K963-F965 HydrophobicContact CB-CE1 3.42Å; K963-F965 VanDerWaalsContact CB-CE1 3.42Å; K963-F965 HydrophobicContact CB-CE2 3.88Å; K963-F965 HydrophobicContact CB-CG 4.32Å; K963-F965 HydrophobicContact CB-CZ 3.41Å; K963-F965 VanDerWaalsContact CB-CZ 3.41Å; K963-F965 HydrophobicContact CG-CE1 3.94Å; K963-F965 HydrophobicContact CG-CE2 4.4Å; K963-F965 HydrophobicContact CG-CZ 3.68Å; K963-F965 PolarHBondContact O-N 2.9Å; K963-F965 VanDerWaalsContact O-N 3.14Å; K963-S966 PolarHBondContact N-OG 2.89Å; K963-S966 WeakPolarHBondContact O-CB 3.21Å; K963-S966 PolarHBondContact O-N 3.18Å; K963-S966 PolarHBondContact O-OG 3.41Å; K963-S966 VanDerWaalsContact O-OG 3.07Å; K963-G1225 CarbonylContact C-O 3.45Å; K963-G1225 WeakPolarHBondContact CA-O 3.3Å; K963-Y1226 HydrophobicContact CD-CD1 4.34Å; K963-Y1226 HydrophobicContact CD-CE1 4.03Å; K963-Y1226 PolarHBondContact NZ-OH 3.17Å; K963-Y1226 VanDerWaalsContact NZ-OH 3.1Å
964Y91Very high89.7Confident43 Ų4344.5 Ų44.517%0.16925%0.253CS..G310 helixtrans-45.9-45.6177.8171-99.6000113.4S966 Y967 K1029 F1031 A1134 I1135 P1136 G1225Y964-S966 PolarHBondContact O-N 3.06Å; Y964-Y967 PolarHBondContact O-N 2.95Å; Y964-K1029 PolarHBondContact OH-O 2.93Å; Y964-F1031 HydrophobicContact CE2-CD2 4.09Å; Y964-F1031 AromaticContact CZ-CD2 3.92Å; Y964-F1031 WeakPolarHBondContact OH-CD2 3.33Å; Y964-F1031 WeakPolarHBondContact OH-CE2 3.47Å; Y964-A1134 HydrophobicContact CD2-CB 3.58Å; Y964-A1134 HydrophobicContact CE2-CB 3.68Å; Y964-A1134 VanDerWaalsContact CE2-O 3.28Å; Y964-A1134 WeakPolarHBondContact CE2-O 3.38Å; Y964-I1135 WeakPolarHBondContact CD2-O 3.36Å; Y964-P1136 HydrophobicContact CD1-CB 4.28Å; Y964-P1136 HydrophobicContact CD2-CB 4.13Å; Y964-P1136 HydrophobicContact CE1-CB 4.15Å; Y964-P1136 HydrophobicContact CE2-CB 3.95Å; Y964-P1136 HydrophobicContact CE2-CG 4.26Å; Y964-P1136 HydrophobicContact CG-CB 4.24Å; Y964-G1225 PolarHBondContact N-O 3.39Å
965F89Confident90.1Very high159 Ų15943.9 Ų43.970%0.69725%0.249SC*.G310 helixtrans-74.31.1-179.255.4-101000114.4K963 Y967K963-F965 HydrophobicContact CB-CD1 3.89Å; K963-F965 HydrophobicContact CB-CD2 4.31Å; K963-F965 HydrophobicContact CB-CE1 3.42Å; K963-F965 VanDerWaalsContact CB-CE1 3.42Å; K963-F965 HydrophobicContact CB-CE2 3.88Å; K963-F965 HydrophobicContact CB-CG 4.32Å; K963-F965 HydrophobicContact CB-CZ 3.41Å; K963-F965 VanDerWaalsContact CB-CZ 3.41Å; K963-F965 HydrophobicContact CG-CE1 3.94Å; K963-F965 HydrophobicContact CG-CE2 4.4Å; K963-F965 HydrophobicContact CG-CZ 3.68Å; K963-F965 PolarHBondContact O-N 2.9Å; K963-F965 VanDerWaalsContact O-N 3.14Å; F965-Y967 PolarHBondContact O-N 3.12Å
966S90Very high90Very high56 Ų5652.2 Ų52.239%0.39228%0.279SS..G310 helixtrans-68.3-17.4168-58.70000112.1K963 Y964K963-S966 PolarHBondContact N-OG 2.89Å; K963-S966 WeakPolarHBondContact O-CB 3.21Å; K963-S966 PolarHBondContact O-N 3.18Å; K963-S966 PolarHBondContact O-OG 3.41Å; K963-S966 VanDerWaalsContact O-OG 3.07Å; Y964-S966 PolarHBondContact O-N 3.06Å
967Y93.4Very high89.9Confident13 Ų1353.1 Ų53.15%0.05129%0.291CS..SBendtrans-82.7131.7164.8171.5-117.5000110.5Y964 F965 H969 L973 L985 F1031Y964-Y967 PolarHBondContact O-N 2.95Å; F965-Y967 PolarHBondContact O-N 3.12Å; Y967-H969 AromaticContact CD1-CE1 3.62Å; Y967-H969 AromaticContact CD1-ND1 3.66Å; Y967-H969 AromaticContact CE1-CE1 3.49Å; Y967-H969 VanDerWaalsContact CE1-CE1 3.49Å; Y967-H969 WeakPolarHBondContact CE1-CE1 3.35Å; Y967-H969 AromaticContact CE1-ND1 3.13Å; Y967-H969 WeakPolarHBondContact CE1-ND1 3.38Å; Y967-H969 AromaticContact CZ-ND1 3.94Å; Y967-L973 HydrophobicContact CD2-CD2 3.94Å; Y967-L973 HydrophobicContact CD2-CG 3.86Å; Y967-L973 HydrophobicContact CE2-CG 4.26Å; Y967-L985 HydrophobicContact CD1-CD1 4.18Å; Y967-L985 HydrophobicContact CD2-CD1 3.86Å; Y967-L985 HydrophobicContact CD2-CG 4.08Å; Y967-L985 HydrophobicContact CE1-CB 3.99Å; Y967-L985 HydrophobicContact CE1-CD1 4.34Å; Y967-L985 HydrophobicContact CE1-CG 4.42Å; Y967-L985 HydrophobicContact CE2-CB 4.01Å; Y967-L985 HydrophobicContact CE2-CD1 4.05Å; Y967-L985 HydrophobicContact CE2-CG 3.76Å; Y967-L985 HydrophobicContact CG-CD1 3.94Å; Y967-L985 PolarHBondContact OH-N 2.85Å; Y967-L985 PolarHBondContact OH-O 3.18Å; Y967-F1031 HydrophobicContact CD1-CB 4.26Å; Y967-F1031 HydrophobicContact CD1-CD1 4.26Å; Y967-F1031 HydrophobicContact CD1-CD2 4.22Å; Y967-F1031 AromaticContact CD1-CG 3.99Å; Y967-F1031 HydrophobicContact CD1-CG 3.99Å; Y967-F1031 HydrophobicContact CE1-CB 4.12Å; Y967-F1031 AromaticContact CE1-CD1 3.47Å; Y967-F1031 HydrophobicContact CE1-CD1 3.47Å; Y967-F1031 VanDerWaalsContact CE1-CD1 3.47Å; Y967-F1031 HydrophobicContact CE1-CD2 4.21Å; Y967-F1031 AromaticContact CE1-CE1 3.85Å; Y967-F1031 HydrophobicContact CE1-CE1 3.85Å; Y967-F1031 AromaticContact CE1-CG 3.67Å; Y967-F1031 HydrophobicContact CE1-CG 3.67Å; Y967-F1031 HydrophobicContact CE1-CZ 4.42Å
968S90.2Very high90Very high38 Ų3853.9 Ų53.927%0.26629%0.292SS..BIsolated β-bridgetrans-108.9129.2178.5170.50000111S970 S971 G972S968-S970 VanDerWaalsContact C-N 3.31Å; S968-S970 PolarHBondContact O-N 3.46Å; S968-S970 PolarHBondContact OG-N 3.21Å; S968-S970 PolarHBondContact OG-OG 3.01Å; S968-S970 VanDerWaalsContact OG-OG 3.07Å; S968-S971 WeakPolarHBondContact CB-OG 3.32Å; S968-S971 PolarHBondContact OG-N 2.71Å; S968-S971 PolarHBondContact OG-OG 3.41Å; S968-G972 WeakPolarHBondContact O-CA 3.49Å; S968-G972 PolarHBondContact O-N 3.01Å
969H82.5Confident89.8Confident110 Ų11055.9 Ų55.951%0.50930%0.302SS..THydrogen-bonded Turntrans-73.2-23.8177.3-53.8-39.5000113.3Y967 F1031Y967-H969 AromaticContact CD1-CE1 3.62Å; Y967-H969 AromaticContact CD1-ND1 3.66Å; Y967-H969 AromaticContact CE1-CE1 3.49Å; Y967-H969 VanDerWaalsContact CE1-CE1 3.49Å; Y967-H969 WeakPolarHBondContact CE1-CE1 3.35Å; Y967-H969 AromaticContact CE1-ND1 3.13Å; Y967-H969 WeakPolarHBondContact CE1-ND1 3.38Å; Y967-H969 AromaticContact CZ-ND1 3.94Å; H969-F1031 AromaticContact CE1-CD2 3.81Å; H969-F1031 AromaticContact CE1-CE1 3.5Å; H969-F1031 VanDerWaalsContact CE1-CE1 3.5Å; H969-F1031 WeakPolarHBondContact CE1-CE1 3.19Å; H969-F1031 AromaticContact CE1-CE2 3.09Å; H969-F1031 WeakPolarHBondContact CE1-CE2 3.21Å; H969-F1031 AromaticContact CE1-CZ 2.9Å; H969-F1031 WeakPolarHBondContact CE1-CZ 3.28Å; H969-F1031 AromaticContact ND1-CE1 3.5Å; H969-F1031 AromaticContact ND1-CE2 3.96Å; H969-F1031 AromaticContact ND1-CZ 3.37Å; H969-F1031 WeakPolarHBondContact ND1-CZ 3.31Å; H969-F1031 AromaticContact NE2-CE2 3.67Å; H969-F1031 AromaticContact NE2-CZ 3.52Å
970S86.3Confident89.4Confident108 Ų10865.7 Ų65.776%0.75534%0.339SS*.THydrogen-bonded Turntrans-86.4-34-179.2550000112.6S968S968-S970 VanDerWaalsContact C-N 3.31Å; S968-S970 PolarHBondContact O-N 3.46Å; S968-S970 PolarHBondContact OG-N 3.21Å; S968-S970 PolarHBondContact OG-OG 3.01Å; S968-S970 VanDerWaalsContact OG-OG 3.07Å
971S89Confident88.9Confident71 Ų7169.8 Ų69.850%0.49736%0.36SS..THydrogen-bonded Turntrans-111.1-9.3-176.762.60000114.4S968 N983S968-S971 WeakPolarHBondContact CB-OG 3.32Å; S968-S971 PolarHBondContact OG-N 2.71Å; S968-S971 PolarHBondContact OG-OG 3.41Å; S971-N983 PolarHBondContact O-ND2 3.13Å
972G89.3Confident89Confident0 Ų069.4 Ų69.40%036%0.358CS..BIsolated β-bridgetrans71.9-160.3-173.800000112.5S968 N983 F984S968-G972 WeakPolarHBondContact O-CA 3.49Å; S968-G972 PolarHBondContact O-N 3.01Å; G972-N983 WeakPolarHBondContact CA-O 3.47Å; G972-F984 VanDerWaalsContact N-CE1 3.3Å
973L89.7Confident89.1Confident2 Ų269.6 Ų69.61%0.0136%0.355CS..  trans-74.7130.4175.5-79.2168.5000111Y967 C975 N983 L985 F1045 Y1132 L1227Y967-L973 HydrophobicContact CD2-CD2 3.94Å; Y967-L973 HydrophobicContact CD2-CG 3.86Å; Y967-L973 HydrophobicContact CE2-CG 4.26Å; L973-C975 PolarHBondContact O-N 2.97Å; L973-N983 PolarHBondContact N-ND2 3.25Å; L973-N983 PolarHBondContact N-O 3.36Å; L973-N983 PolarHBondContact O-ND2 3.49Å; L973-N983 VanDerWaalsContact O-ND2 3.09Å; L973-L985 HydrophobicContact CD1-CD1 4.17Å; L973-L985 HydrophobicContact CD1-CD2 3.73Å; L973-L985 HydrophobicContact CD1-CG 3.95Å; L973-L985 HydrophobicContact CG-CD1 4.45Å; L973-L985 HydrophobicContact CG-CG 4.36Å; L973-F1045 HydrophobicContact CD1-CE2 3.63Å; L973-F1045 HydrophobicContact CD1-CZ 3.4Å; L973-F1045 VanDerWaalsContact CD1-CZ 3.4Å; L973-Y1132 HydrophobicContact CD1-CD1 3.68Å; L973-Y1132 HydrophobicContact CD1-CE1 3.97Å; L973-Y1132 HydrophobicContact CD1-CG 4Å; L973-L1227 HydrophobicContact CD2-CD2 3.72Å
974P82.8Confident89.1Confident113 Ų11367.1 Ų67.173%0.73434%0.344SS*.  trans-80.529.1-174.734.8-37.8000113.5
975C86.8Confident89.3Confident19 Ų1965.3 Ų65.313%0.12834%0.337CS..  trans-90.5148.3-178-670000111.1L973 F978L973-C975 PolarHBondContact O-N 2.97Å; C975-F978 HydrophobicContact CB-CD2 4.11Å; C975-F978 HydrophobicContact CB-CE2 3.76Å
976R85.7Confident89.5Confident183 Ų18358 Ų5869%0.69131%0.305SS*.THydrogen-bonded Turntrans-76.7156.5178.4-63.9-171.4-178.7-163.31.6112.1R1043R976-R1043 WeakPolarHBondContact O-CD 3.3Å; R976-R1043 PolarHBondContact O-NH1 2.75Å
977G87.7Confident89.7Confident26 Ų2657.1 Ų57.127%0.26830%0.298SS..THydrogen-bonded Turntrans90.7-7.3173.300000115.4R1043G977-R1043 PolarHBondContact O-N 3.41Å
978F92.9Very high89.6Confident33 Ų3358.3 Ų58.315%0.14530%0.303CS..BIsolated β-bridgetrans-66.7136.1175.2-80.2-87.9000111.9C975 N983 E1035 R1043 F1045C975-F978 HydrophobicContact CB-CD2 4.11Å; C975-F978 HydrophobicContact CB-CE2 3.76Å; F978-N983 HydrophobicContact CB-CB 3.65Å; F978-N983 HydrophobicContact CD1-CB 3.61Å; F978-N983 HydrophobicContact CD2-CB 4.06Å; F978-N983 HydrophobicContact CE1-CB 4.28Å; F978-N983 HydrophobicContact CG-CB 3.49Å; F978-N983 VanDerWaalsContact CG-CB 3.49Å; F978-E1035 HydrophobicContact CZ-CG 4.34Å; F978-R1043 CarbonylContact C-O 3.55Å; F978-R1043 VanDerWaalsContact CA-O 3.29Å; F978-R1043 WeakPolarHBondContact CA-O 3.36Å; F978-R1043 HydrophobicContact CD1-CB 4.04Å; F978-R1043 HydrophobicContact CD2-CB 4.35Å; F978-R1043 HydrophobicContact CE1-CB 4.15Å; F978-R1043 HydrophobicContact CE2-CB 4.45Å; F978-R1043 VanDerWaalsContact CE2-CZ 3.43Å; F978-R1043 HydrophobicContact CG-CB 4.14Å; F978-R1043 HydrophobicContact CZ-CB 4.36Å; F978-F1045 HydrophobicContact CD1-CD2 4.46Å; F978-F1045 HydrophobicContact CD1-CE2 4.32Å; F978-F1045 AromaticContact CE1-CD2 3.7Å; F978-F1045 HydrophobicContact CE1-CD2 3.7Å; F978-F1045 HydrophobicContact CE1-CE1 4.42Å; F978-F1045 AromaticContact CE1-CE2 3.34Å; F978-F1045 HydrophobicContact CE1-CE2 3.34Å; F978-F1045 HydrophobicContact CE1-CG 4.34Å; F978-F1045 AromaticContact CE1-CZ 3.74Å; F978-F1045 HydrophobicContact CE1-CZ 3.74Å; F978-F1045 HydrophobicContact CZ-CD2 4.36Å; F978-F1045 HydrophobicContact CZ-CE1 4.44Å; F978-F1045 AromaticContact CZ-CE2 3.55Å; F978-F1045 HydrophobicContact CZ-CE2 3.55Å; F978-F1045 AromaticContact CZ-CZ 3.59Å; F978-F1045 HydrophobicContact CZ-CZ 3.59Å
979M90.4Very high89.7Confident43 Ų4360.2 Ų60.221%0.21231%0.31CS..PPolyproline II helixtrans-62.8162.2169.2-61.2-175.962.500110.4N981 S982 H1042 R1043 F1044 Q1081M979-N981 PolarHBondContact O-N 3.39Å; M979-S982 WeakPolarHBondContact CB-OG 3.37Å; M979-S982 PolarHBondContact N-OG 3.12Å; M979-S982 PolarHBondContact O-N 3.25Å; M979-S982 PolarHBondContact O-OG 3.48Å; M979-H1042 HydrophobicContact CG-CB 4.3Å; M979-R1043 PolarHBondContact N-O 3.43Å; M979-F1044 HydrophobicContact CG-CD1 4.44Å; M979-F1044 HydrophobicContact SD-CD1 3.73Å; M979-F1044 HydrophobicContact SD-CE1 4.35Å; M979-F1044 HydrophobicContact SD-CG 4.48Å; M979-Q1081 HydrophobicContact CE-CB 3.84Å
980R86.2Confident89.9Confident231 Ų23155.6 Ų55.687%0.87229%0.289SS*.THydrogen-bonded Turntrans-56.5128.2-178.4-65.1-175.7179.3-146.50.4109.7S982R980-S982 PolarHBondContact O-N 2.85Å; R980-S982 VanDerWaalsContact O-N 3.1Å
981N87.2Confident89.8Confident90 Ų9053.8 Ų53.848%0.48128%0.276SS..THydrogen-bonded Turntrans5817.7176.9-57.8-24.4000116.4M979 G1055M979-N981 PolarHBondContact O-N 3.39Å; N981-G1055 PolarHBondContact O-N 3.38Å
982S92.6Very high89.1Confident2 Ų253 Ų531%0.01427%0.267CS..  trans-105.48.7-178.874.60000114.1M979 R980 R1043 F1044 F1045 M1053M979-S982 WeakPolarHBondContact CB-OG 3.37Å; M979-S982 PolarHBondContact N-OG 3.12Å; M979-S982 PolarHBondContact O-N 3.25Å; M979-S982 PolarHBondContact O-OG 3.48Å; R980-S982 PolarHBondContact O-N 2.85Å; R980-S982 VanDerWaalsContact O-N 3.1Å; S982-R1043 PolarHBondContact OG-O 3.46Å; S982-F1044 WeakPolarHBondContact OG-CA 3.38Å; S982-F1044 WeakPolarHBondContact OG-CB 3.34Å; S982-F1045 VanDerWaalsContact O-CD2 3.22Å; S982-F1045 WeakPolarHBondContact O-CD2 3.46Å; S982-F1045 PolarHBondContact O-N 2.61Å; S982-M1053 WeakPolarHBondContact CA-O 3.32Å; S982-M1053 WeakPolarHBondContact CB-O 3.37Å
983N94Very high87.7Confident26 Ų2660.6 Ų60.614%0.13930%0.304CS..  trans-10015.4-173.471.6-43000114.4S971 G972 L973 F978S971-N983 PolarHBondContact O-ND2 3.13Å; G972-N983 WeakPolarHBondContact CA-O 3.47Å; L973-N983 PolarHBondContact N-ND2 3.25Å; L973-N983 PolarHBondContact N-O 3.36Å; L973-N983 PolarHBondContact O-ND2 3.49Å; L973-N983 VanDerWaalsContact O-ND2 3.09Å; F978-N983 HydrophobicContact CB-CB 3.65Å; F978-N983 HydrophobicContact CD1-CB 3.61Å; F978-N983 HydrophobicContact CD2-CB 4.06Å; F978-N983 HydrophobicContact CE1-CB 4.28Å; F978-N983 HydrophobicContact CG-CB 3.49Å; F978-N983 VanDerWaalsContact CG-CB 3.49Å
984F94.3Very high85.8Confident44 Ų4467.3 Ų67.319%0.19334%0.34CS..PPolyproline II helixtrans-93.3145.7179.4-58.8-86.2000111.1G972 F1045 M1053G972-F984 VanDerWaalsContact N-CE1 3.3Å; F984-F1045 WeakPolarHBondContact O-CD2 3.5Å; F984-M1053 VanDerWaalsContact C-SD 3.6Å; F984-M1053 HydrophobicContact CB-SD 3.6Å; F984-M1053 WeakPolarHBondContact O-CE 3.39Å
985L94.6Very high84Confident5 Ų568.9 Ų68.93%0.02634%0.342CS..PPolyproline II helixtrans-91.9146.9170.1-57.7178000109.4Y967 L973 F1031 F1045 Y1132 A1134 L1227Y967-L985 HydrophobicContact CD1-CD1 4.18Å; Y967-L985 HydrophobicContact CD2-CD1 3.86Å; Y967-L985 HydrophobicContact CD2-CG 4.08Å; Y967-L985 HydrophobicContact CE1-CB 3.99Å; Y967-L985 HydrophobicContact CE1-CD1 4.34Å; Y967-L985 HydrophobicContact CE1-CG 4.42Å; Y967-L985 HydrophobicContact CE2-CB 4.01Å; Y967-L985 HydrophobicContact CE2-CD1 4.05Å; Y967-L985 HydrophobicContact CE2-CG 3.76Å; Y967-L985 HydrophobicContact CG-CD1 3.94Å; Y967-L985 PolarHBondContact OH-N 2.85Å; Y967-L985 PolarHBondContact OH-O 3.18Å; L973-L985 HydrophobicContact CD1-CD1 4.17Å; L973-L985 HydrophobicContact CD1-CD2 3.73Å; L973-L985 HydrophobicContact CD1-CG 3.95Å; L973-L985 HydrophobicContact CG-CD1 4.45Å; L973-L985 HydrophobicContact CG-CG 4.36Å; L985-F1031 HydrophobicContact CB-CB 3.72Å; L985-F1031 HydrophobicContact CB-CD1 4.29Å; L985-F1031 HydrophobicContact CB-CG 4.46Å; L985-F1031 HydrophobicContact CD1-CB 4.03Å; L985-F1045 HydrophobicContact CD2-CD1 4.39Å; L985-F1045 HydrophobicContact CD2-CD2 4.34Å; L985-F1045 HydrophobicContact CD2-CE1 3.89Å; L985-F1045 HydrophobicContact CD2-CE2 3.85Å; L985-F1045 HydrophobicContact CD2-CZ 3.62Å; L985-Y1132 HydrophobicContact CD2-CG 4.45Å; L985-A1134 HydrophobicContact CD1-CB 4.49Å; L985-L1227 HydrophobicContact CD1-CD1 4.19Å
986L94.1Very high81.7Confident5 Ų574.6 Ų74.63%0.02637%0.372CS..EExtended strand (participates in β ladder)trans-81.5129.1178-67170.2000110.5W988 F1031 I1032 T1047 M1053 M1057 V1062 A1065 V1066 L1069L986-W988 PolarHBondContact O-N 3.28Å; L986-F1031 WeakPolarHBondContact O-CA 3.38Å; L986-I1032 HydrophobicContact CB-CG2 4.27Å; L986-I1032 PolarHBondContact N-O 2.93Å; L986-I1032 PolarHBondContact O-N 3.35Å; L986-T1047 HydrophobicContact CD2-CG2 4.45Å; L986-M1053 HydrophobicContact CD2-CE 3.81Å; L986-M1053 HydrophobicContact CG-CE 3.81Å; L986-M1057 HydrophobicContact CD2-SD 3.94Å; L986-V1062 HydrophobicContact CD2-CG1 4.37Å; L986-A1065 HydrophobicContact CD1-CB 3.87Å; L986-A1065 HydrophobicContact CD2-CB 4.5Å; L986-V1066 HydrophobicContact CB-CG2 3.66Å; L986-V1066 HydrophobicContact CD1-CG2 4.34Å; L986-L1069 HydrophobicContact CD1-CD1 3.47Å; L986-L1069 VanDerWaalsContact CD1-CD1 3.47Å
987P93.7Very high79.3Confident38 Ų3872.4 Ų72.425%0.24737%0.374CS..EExtended strand (participates in β ladder)trans-71.9126.7173.825.3-29.3000110.7K1029 L1030 F1031 V1062 V1066P987-K1029 HydrophobicContact CB-CD 3.83Å; P987-K1029 HydrophobicContact CB-CG 3.97Å; P987-L1030 CarbonylContact C-O 3.49Å; P987-L1030 WeakPolarHBondContact CA-O 3.48Å; P987-F1031 HydrophobicContact CB-CD1 3.92Å; P987-F1031 HydrophobicContact CB-CE1 3.46Å; P987-F1031 VanDerWaalsContact CB-CE1 3.46Å; P987-F1031 HydrophobicContact CB-CZ 3.92Å; P987-F1031 HydrophobicContact CG-CE1 4.08Å; P987-V1062 HydrophobicContact CG-CG1 3.63Å; P987-V1066 WeakPolarHBondContact O-CG2 3.14Å
988W92.6Very high76.8Confident38 Ų3878.2 Ų78.214%0.14440%0.398CS..EExtended strand (participates in β ladder)trans-109.4113.8173.6176.420.7000108.6L986 V990 K1029 L1030 I1032 V1066 L1070 I1262 L1264L986-W988 PolarHBondContact O-N 3.28Å; W988-V990 HydrophobicContact CD2-CG2 4.15Å; W988-V990 HydrophobicContact CG-CG2 4.33Å; W988-V990 HydrophobicContact CZ2-CG2 4.27Å; W988-K1029 WeakPolarHBondContact O-CA 3.36Å; W988-L1030 HydrophobicContact CB-CD1 3.54Å; W988-L1030 HydrophobicContact CD2-CD1 3.31Å; W988-L1030 HydrophobicContact CE3-CD1 3.14Å; W988-L1030 HydrophobicContact CG-CD1 3.51Å; W988-L1030 HydrophobicContact CZ3-CD1 3.94Å; W988-L1030 PolarHBondContact N-O 2.87Å; W988-L1030 WeakPolarHBondContact O-CD1 3.46Å; W988-L1030 PolarHBondContact O-N 3.02Å; W988-I1032 HydrophobicContact CB-CG2 4.46Å; W988-V1066 HydrophobicContact CB-CG1 3.63Å; W988-V1066 HydrophobicContact CB-CG2 4.41Å; W988-V1066 HydrophobicContact CD2-CG1 4.27Å; W988-V1066 HydrophobicContact CG-CG1 3.54Å; W988-L1070 HydrophobicContact CD2-CD1 3.69Å; W988-L1070 VanDerWaalsContact CE2-CD1 3.47Å; W988-L1070 HydrophobicContact CE3-CD1 3.93Å; W988-L1070 HydrophobicContact CG-CD1 4.35Å; W988-L1070 HydrophobicContact CH2-CD1 3.85Å; W988-L1070 HydrophobicContact CZ2-CD1 3.56Å; W988-L1070 HydrophobicContact CZ3-CD1 4.03Å; W988-L1070 HydrophobicContact CZ3-CD2 4.41Å; W988-I1262 HydrophobicContact CH2-CG2 4.3Å; W988-I1262 HydrophobicContact CZ3-CG2 3.95Å; W988-L1264 HydrophobicContact CH2-CD1 3.85Å; W988-L1264 HydrophobicContact CH2-CD2 4.09Å; W988-L1264 HydrophobicContact CH2-CG 3.66Å; W988-L1264 HydrophobicContact CZ2-CD1 3.48Å; W988-L1264 VanDerWaalsContact CZ2-CD1 3.48Å; W988-L1264 HydrophobicContact CZ2-CD2 4.49Å; W988-L1264 HydrophobicContact CZ2-CG 3.86Å
989D90.8Very high74Confident77 Ų7784 Ų8441%0.41243%0.431SS..EExtended strand (participates in β ladder)trans-88.4124.6177.1-60.3-40.8000109.4K1029D989-K1029 WeakPolarHBondContact OD1-CE 3.25Å
990V87.4Confident71.2Confident13 Ų1389.3 Ų89.38%0.07946%0.46CS..EExtended strand (participates in β ladder)trans-117.5124.6-177.7177.90000109.3W988 T1027 V1028 L1030 L1264W988-V990 HydrophobicContact CD2-CG2 4.15Å; W988-V990 HydrophobicContact CG-CG2 4.33Å; W988-V990 HydrophobicContact CZ2-CG2 4.27Å; V990-T1027 CarbonylContact O-C 3.56Å; V990-T1027 WeakPolarHBondContact O-CA 3.33Å; V990-V1028 PolarHBondContact N-O 3.3Å; V990-V1028 PolarHBondContact O-N 3.46Å; V990-L1030 HydrophobicContact CG2-CD1 3.65Å; V990-L1030 HydrophobicContact CG2-CD2 4.38Å; V990-L1030 HydrophobicContact CG2-CG 4.11Å; V990-L1264 HydrophobicContact CB-CD1 4.24Å; V990-L1264 HydrophobicContact CG1-CD1 3.45Å; V990-L1264 VanDerWaalsContact CG1-CD1 3.45Å; V990-L1264 HydrophobicContact CG1-CD2 4.27Å; V990-L1264 HydrophobicContact CG1-CG 4.48Å; V990-L1264 HydrophobicContact CG2-CD1 3.73Å; V990-L1264 HydrophobicContact CG2-CD2 4.29Å
991S83.9Confident68.5Low70 Ų7083 Ų8349%0.4946%0.457SS..EExtended strand (participates in β ladder)trans-80.1122.6174.954.30000111.4M993S991-M993 PolarHBondContact O-N 3.45Å; S991-M993 VanDerWaalsContact O-N 3.11Å
992L75.3Confident65.7Low55 Ų5589.9 Ų89.929%0.28848%0.477SS..  trans-75.792.3168.4-62.2171.2000108.5N994 D1026 V1028 P1139 I1140L992-N994 PolarHBondContact O-N 2.89Å; L992-D1026 HydrophobicContact CB-CB 4.27Å; L992-D1026 WeakPolarHBondContact CB-O 3.44Å; L992-D1026 HydrophobicContact CD1-CB 3.9Å; L992-D1026 WeakPolarHBondContact CG-O 3.28Å; L992-D1026 PolarHBondContact N-O 3.23Å; L992-V1028 HydrophobicContact CD1-CG2 3.46Å; L992-V1028 VanDerWaalsContact CD1-CG2 3.46Å; L992-V1028 HydrophobicContact CD2-CG2 4.03Å; L992-V1028 HydrophobicContact CG-CG2 3.72Å; L992-P1139 HydrophobicContact CD1-CG 4.22Å; L992-P1139 HydrophobicContact CD2-CG 4.27Å; L992-I1140 HydrophobicContact CD2-CG2 3.55Å
993M60.1Low62.7Low159 Ų15997.8 Ų97.878%0.78352%0.519SS*.  trans-78.6108.8171.7-156.475.970.300108.2S991 N995S991-M993 PolarHBondContact O-N 3.45Å; S991-M993 VanDerWaalsContact O-N 3.11Å; M993-N995 PolarHBondContact O-N 3.17Å; M993-N995 VanDerWaalsContact O-N 3.07Å
994N48.6Very low59.5Low143 Ų14399.8 Ų99.877%0.76555%0.545SS*.  trans-66.4107174.3-167.19.5000108.5L992 N996L992-N994 PolarHBondContact O-N 2.89Å; N994-N996 PolarHBondContact O-N 3.34Å
995N44.4Very low56.4Low146 Ų146103.5 Ų103.578%0.78158%0.577SS**  trans-75.751.4-173.1-160.117000112.5M993M993-N995 PolarHBondContact O-N 3.17Å; M993-N995 VanDerWaalsContact O-N 3.07Å
996N40Very low53.4Low140 Ų140112.4 Ų112.475%0.74962%0.618SS**  trans-102.421.8-180-146.219.6000113.3N994N994-N996 PolarHBondContact O-N 3.34Å
997N35.3Very low50.3Low137 Ų137123.4 Ų123.473%0.73366%0.659SS**  trans-130.868.3-175.3-137.819.3000112.1
998N34Very low47.4Very low148 Ų148125.3 Ų125.379%0.79169%0.686SS**SBendtrans-132.310.2162-138.913.6000116.5
999N33.9Very low44.2Very low155 Ų155134 Ų13483%0.82972%0.719SS**SBendtrans-126.47.7-177.7-85.4-5.2000118.3
1000N32.7Very low41.5Very low153 Ų153140 Ų14082%0.81874%0.742SS**  trans-137.322.3178.2-85.3-28.5000116.9R1002N1000-R1002 VanDerWaalsContact C-N 3.31Å; N1000-R1002 PolarHBondContact O-N 3.22Å
1001A30.1Very low38.8Very low99 Ų99144 Ų14482%0.81877%0.771SS**  trans-89.644.7176.200000113.8
1002R28Very low36.1Very low235 Ų235150.1 Ų150.189%0.88779%0.788SS**  trans-15472.2162.2-79.7-164177.5162.3-1.3110.5N1000N1000-R1002 VanDerWaalsContact C-N 3.31Å; N1000-R1002 PolarHBondContact O-N 3.22Å
1003N28.7Very low33.9Very low167 Ų167152.9 Ų152.989%0.89381%0.812SS**  trans-147.7108.5146.6-92.8-26.5000107.8
1004G27.1Very low32.6Very low68 Ų68150.5 Ų150.570%0.70181%0.811SS**  trans-71.8151-178.200000112.4
1005S29.5Very low31.6Very low122 Ų122156.3 Ų156.385%0.85382%0.822SS**  trans57.680.9131-57.90000118.5
1006E30.9Very low30.9Very low193 Ų193152 Ų15290%0.90281%0.812SS**  trans-13995.1145.1-74-158.5152.100112.5
1007R29.3Very low30.3Very low235 Ų235157.4 Ų157.489%0.88782%0.822SS**  trans22.798136.1-65.2173.4174.5156.2-1.2117.7
1008G32.2Very low30Very low79 Ų79161.3 Ų161.381%0.81483%0.828SS**  trans-119.792.3156.400000111.1
1009R27.1Very low29.9Very low221 Ų221165.7 Ų165.783%0.83483%0.834SS**  trans-79.8110.3174.9-71.8175.5178.7155.2-2.5110.3
1010F33.7Very low29.7Very low202 Ų202161.4 Ų161.489%0.88683%0.826SS**  trans-142.892.2151.8-77.5-76.5000106.9
1011S29.6Very low29.7Very low98 Ų98157.8 Ų157.869%0.68583%0.825SS**  58.6101.292.5-167.90000114.5
1012K26.9Very low30.1Very low198 Ų198164 Ų16486%0.86183%0.827SS**  trans46.3110.1133.3-58.7174.5179.7172.40117.4
1013S30.2Very low30.9Very low113 Ų113158.9 Ų158.979%0.7982%0.822SS**  170.4153.5114.4-171.20000110.7
1014S32.9Very low31.6Very low108 Ų108159.4 Ų159.476%0.75582%0.819SS**  trans7583.5166.6-63.10000118G1016S1014-G1016 PolarHBondContact O-N 3.49Å
1015R26.9Very low33Very low265 Ų265159.7 Ų159.7100%181%0.811SS**  trans-56.974.7150.2-76.6176169.6147.9-4.6110.6
1016G29.3Very low35.1Very low55 Ų55159.3 Ų159.357%0.56780%0.799SS**  trans-96.512315500000107.1S1014 Y1018S1014-G1016 PolarHBondContact O-N 3.49Å; G1016-Y1018 PolarHBondContact O-N 2.81Å
1017R28.6Very low37.6Very low254 Ų254154.1 Ų154.196%0.95878%0.781SS**  trans-67.563.3170.5-64.3-178.6-171.7169.71.9109.7R1019R1017-R1019 PolarHBondContact O-N 3.08Å; R1017-R1019 VanDerWaalsContact O-N 3.16Å
1018Y29.2Very low40.4Very low219 Ų219143.8 Ų143.886%0.85974%0.744SS**  trans-71105.9157-108.8-95.3000105G1016 G1020G1016-Y1018 PolarHBondContact O-N 2.81Å; Y1018-G1020 PolarHBondContact O-N 2.9Å
1019R32.3Very low43.2Very low240 Ų240144.9 Ų144.991%0.90673%0.726SS**  trans-45.7112.6160.4-90.2-177.8176.2-177.8-0.2104.9R1017 G1021R1017-R1019 PolarHBondContact O-N 3.08Å; R1017-R1019 VanDerWaalsContact O-N 3.16Å; R1019-G1021 PolarHBondContact O-N 3.48Å; R1019-G1021 VanDerWaalsContact O-N 3.14Å
1020G28Very low46.4Very low66 Ų66134.6 Ų134.668%0.6869%0.687SS**  trans-43.7127.4179.700000107.8Y1018 R1022Y1018-G1020 PolarHBondContact O-N 2.9Å; G1020-R1022 PolarHBondContact O-N 2.86Å
1021G33.2Very low49.3Very low76 Ų76125.5 Ų125.578%0.78465%0.647SS**  trans-47.1103.2169.600000105.6R1019 T1023R1019-G1021 PolarHBondContact O-N 3.48Å; R1019-G1021 VanDerWaalsContact O-N 3.14Å; G1021-T1023 VanDerWaalsContact C-N 3.34Å; G1021-T1023 PolarHBondContact O-N 3.05Å
1022R38.3Very low52.4Low230 Ų230120.8 Ų120.887%0.86862%0.615SS**  trans-58.2112.3173.9-148177.7-168.6-178.51.1101G1020 E1024G1020-R1022 PolarHBondContact O-N 2.86Å; R1022-E1024 PolarHBondContact O-N 3.41Å
1023T44.5Very low55.7Low127 Ų127111.4 Ų111.478%0.77957%0.574SS**  trans-43.6103.2162.345.40000104.1G1021 S1025G1021-T1023 VanDerWaalsContact C-N 3.34Å; G1021-T1023 PolarHBondContact O-N 3.05Å; T1023-S1025 PolarHBondContact O-N 3.1Å
1024E44.9Very low58.9Low178 Ų178106.2 Ų106.283%0.83254%0.537SS*.  trans-67.392.7-178.1-130.9170.4-173.700101.9R1022 D1026R1022-E1024 PolarHBondContact O-N 3.41Å; E1024-D1026 PolarHBondContact O-N 3.47Å
1025S54.6Low61.9Low75 Ų75101.1 Ų101.152%0.52450%0.502SS..  trans-55.6116.2170.449.20000103.7T1023 T1027T1023-S1025 PolarHBondContact O-N 3.1Å; S1025-T1027 VanDerWaalsContact C-N 3.26Å; S1025-T1027 PolarHBondContact O-N 3.39Å
1026D75.2Confident65.2Low114 Ų11488.5 Ų88.561%0.6145%0.454SS*.  trans-61.394.9-179-76.2-35.6000107.6L992 E1024L992-D1026 HydrophobicContact CB-CB 4.27Å; L992-D1026 WeakPolarHBondContact CB-O 3.44Å; L992-D1026 HydrophobicContact CD1-CB 3.9Å; L992-D1026 WeakPolarHBondContact CG-O 3.28Å; L992-D1026 PolarHBondContact N-O 3.23Å; E1024-D1026 PolarHBondContact O-N 3.47Å
1027T83.1Confident68.4Low84 Ų8486.6 Ų86.652%0.51543%0.43SS..EExtended strand (participates in β ladder)trans-94126.3177.854.60000108.6V990 S1025V990-T1027 CarbonylContact O-C 3.56Å; V990-T1027 WeakPolarHBondContact O-CA 3.33Å; S1025-T1027 VanDerWaalsContact C-N 3.26Å; S1025-T1027 PolarHBondContact O-N 3.39Å
1028V88.7Confident71.5Confident18 Ų1874.7 Ų74.711%0.10939%0.386CS..EExtended strand (participates in β ladder)trans-97.4137.1174.2175.30000108.8V990 L992 P1136 A1138 I1140V990-V1028 PolarHBondContact N-O 3.3Å; V990-V1028 PolarHBondContact O-N 3.46Å; L992-V1028 HydrophobicContact CD1-CG2 3.46Å; L992-V1028 VanDerWaalsContact CD1-CG2 3.46Å; L992-V1028 HydrophobicContact CD2-CG2 4.03Å; L992-V1028 HydrophobicContact CG-CG2 3.72Å; V1028-P1136 HydrophobicContact CG1-CG 3.33Å; V1028-A1138 HydrophobicContact CB-CB 4.32Å; V1028-A1138 HydrophobicContact CG1-CB 3.57Å; V1028-A1138 HydrophobicContact CG2-CB 3.75Å; V1028-I1140 HydrophobicContact CG1-CD1 4.05Å
1029K90.7Very high74.4Confident102 Ų10265.9 Ų65.944%0.44336%0.356SS..EExtended strand (participates in β ladder)trans-105.4119178.8-174.1178.3-70.7168.40111Y964 P987 W988 D989 F1031 P1136Y964-K1029 PolarHBondContact OH-O 2.93Å; P987-K1029 HydrophobicContact CB-CD 3.83Å; P987-K1029 HydrophobicContact CB-CG 3.97Å; W988-K1029 WeakPolarHBondContact O-CA 3.36Å; D989-K1029 WeakPolarHBondContact OD1-CE 3.25Å; K1029-F1031 HydrophobicContact CD-CE2 4.13Å; K1029-F1031 HydrophobicContact CD-CZ 3.83Å; K1029-F1031 HydrophobicContact CG-CE2 4.04Å; K1029-F1031 HydrophobicContact CG-CZ 4.15Å; K1029-P1136 WeakPolarHBondContact O-CG 3.42Å
1030L93.1Very high77.1Confident4 Ų458.5 Ų58.52%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-113.2168.7169.523.675.9000110.4P987 W988 V990 A1134 I1140 V1142P987-L1030 CarbonylContact C-O 3.49Å; P987-L1030 WeakPolarHBondContact CA-O 3.48Å; W988-L1030 HydrophobicContact CB-CD1 3.54Å; W988-L1030 HydrophobicContact CD2-CD1 3.31Å; W988-L1030 HydrophobicContact CE3-CD1 3.14Å; W988-L1030 HydrophobicContact CG-CD1 3.51Å; W988-L1030 HydrophobicContact CZ3-CD1 3.94Å; W988-L1030 PolarHBondContact N-O 2.87Å; W988-L1030 WeakPolarHBondContact O-CD1 3.46Å; W988-L1030 PolarHBondContact O-N 3.02Å; V990-L1030 HydrophobicContact CG2-CD1 3.65Å; V990-L1030 HydrophobicContact CG2-CD2 4.38Å; V990-L1030 HydrophobicContact CG2-CG 4.11Å; L1030-A1134 WeakPolarHBondContact CA-O 3.24Å; L1030-A1134 WeakPolarHBondContact CB-O 3.49Å; L1030-I1140 HydrophobicContact CD2-CD1 3.32Å; L1030-I1140 HydrophobicContact CG-CD1 4.26Å; L1030-V1142 HydrophobicContact CD2-CG2 4.02Å
1031F94.8Very high80.2Confident11 Ų1155.5 Ų55.55%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-125.7136.8-177.3-69-95000111.3Y964 Y967 H969 L985 L986 P987 K1029 L1133 A1134Y964-F1031 HydrophobicContact CE2-CD2 4.09Å; Y964-F1031 AromaticContact CZ-CD2 3.92Å; Y964-F1031 WeakPolarHBondContact OH-CD2 3.33Å; Y964-F1031 WeakPolarHBondContact OH-CE2 3.47Å; Y967-F1031 HydrophobicContact CD1-CB 4.26Å; Y967-F1031 HydrophobicContact CD1-CD1 4.26Å; Y967-F1031 HydrophobicContact CD1-CD2 4.22Å; Y967-F1031 AromaticContact CD1-CG 3.99Å; Y967-F1031 HydrophobicContact CD1-CG 3.99Å; Y967-F1031 HydrophobicContact CE1-CB 4.12Å; Y967-F1031 AromaticContact CE1-CD1 3.47Å; Y967-F1031 HydrophobicContact CE1-CD1 3.47Å; Y967-F1031 VanDerWaalsContact CE1-CD1 3.47Å; Y967-F1031 HydrophobicContact CE1-CD2 4.21Å; Y967-F1031 AromaticContact CE1-CE1 3.85Å; Y967-F1031 HydrophobicContact CE1-CE1 3.85Å; Y967-F1031 AromaticContact CE1-CG 3.67Å; Y967-F1031 HydrophobicContact CE1-CG 3.67Å; Y967-F1031 HydrophobicContact CE1-CZ 4.42Å; H969-F1031 AromaticContact CE1-CD2 3.81Å; H969-F1031 AromaticContact CE1-CE1 3.5Å; H969-F1031 VanDerWaalsContact CE1-CE1 3.5Å; H969-F1031 WeakPolarHBondContact CE1-CE1 3.19Å; H969-F1031 AromaticContact CE1-CE2 3.09Å; H969-F1031 WeakPolarHBondContact CE1-CE2 3.21Å; H969-F1031 AromaticContact CE1-CZ 2.9Å; H969-F1031 WeakPolarHBondContact CE1-CZ 3.28Å; H969-F1031 AromaticContact ND1-CE1 3.5Å; H969-F1031 AromaticContact ND1-CE2 3.96Å; H969-F1031 AromaticContact ND1-CZ 3.37Å; H969-F1031 WeakPolarHBondContact ND1-CZ 3.31Å; H969-F1031 AromaticContact NE2-CE2 3.67Å; H969-F1031 AromaticContact NE2-CZ 3.52Å; L985-F1031 HydrophobicContact CB-CB 3.72Å; L985-F1031 HydrophobicContact CB-CD1 4.29Å; L985-F1031 HydrophobicContact CB-CG 4.46Å; L985-F1031 HydrophobicContact CD1-CB 4.03Å; L986-F1031 WeakPolarHBondContact O-CA 3.38Å; P987-F1031 HydrophobicContact CB-CD1 3.92Å; P987-F1031 HydrophobicContact CB-CE1 3.46Å; P987-F1031 VanDerWaalsContact CB-CE1 3.46Å; P987-F1031 HydrophobicContact CB-CZ 3.92Å; P987-F1031 HydrophobicContact CG-CE1 4.08Å; K1029-F1031 HydrophobicContact CD-CE2 4.13Å; K1029-F1031 HydrophobicContact CD-CZ 3.83Å; K1029-F1031 HydrophobicContact CG-CE2 4.04Å; K1029-F1031 HydrophobicContact CG-CZ 4.15Å; F1031-L1133 CarbonylContact O-C 3.41Å; F1031-L1133 WeakPolarHBondContact O-CA 3.41Å; F1031-A1134 HydrophobicContact CB-CB 3.93Å; F1031-A1134 PolarHBondContact N-O 2.91Å; F1031-A1134 PolarHBondContact O-N 3.36Å
1032I95.6Very high83.1Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-129.2142.7-176-172.7168.2000111.5L986 W988 F1034 V1066 L1070 Y1132 L1133 I1262L986-I1032 HydrophobicContact CB-CG2 4.27Å; L986-I1032 PolarHBondContact N-O 2.93Å; L986-I1032 PolarHBondContact O-N 3.35Å; W988-I1032 HydrophobicContact CB-CG2 4.46Å; I1032-F1034 HydrophobicContact CD1-CD2 4.48Å; I1032-F1034 HydrophobicContact CD1-CE2 3.52Å; I1032-F1034 HydrophobicContact CD1-CZ 3.94Å; I1032-F1034 HydrophobicContact CG1-CD2 4.33Å; I1032-F1034 HydrophobicContact CG1-CE2 3.82Å; I1032-V1066 HydrophobicContact CG2-CG2 4.34Å; I1032-L1070 HydrophobicContact CD1-CD2 3.66Å; I1032-L1070 HydrophobicContact CD1-CG 4.46Å; I1032-Y1132 WeakPolarHBondContact CA-O 3.22Å; I1032-L1133 HydrophobicContact CB-CD2 4Å; I1032-L1133 HydrophobicContact CD1-CD2 3.97Å; I1032-L1133 HydrophobicContact CG1-CD2 3.78Å; I1032-I1262 HydrophobicContact CD1-CD1 3.55Å; I1032-I1262 HydrophobicContact CG1-CD1 4.48Å
1033G95.6Very high85.8Confident1 Ų144.4 Ų44.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-151.9136.4172.400000112I1131 Y1132G1033-I1131 WeakPolarHBondContact O-CA 3.25Å; G1033-Y1132 PolarHBondContact N-O 3.46Å; G1033-Y1132 PolarHBondContact O-N 3.27Å
1034F97.2Very high88.3Confident4 Ų438.4 Ų38.42%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-106.7110.8174-68.7-94.9000108I1032 F1045 I1046 L1069 L1074 L1128 I1131 L1257 I1262I1032-F1034 HydrophobicContact CD1-CD2 4.48Å; I1032-F1034 HydrophobicContact CD1-CE2 3.52Å; I1032-F1034 HydrophobicContact CD1-CZ 3.94Å; I1032-F1034 HydrophobicContact CG1-CD2 4.33Å; I1032-F1034 HydrophobicContact CG1-CE2 3.82Å; F1034-F1045 WeakPolarHBondContact O-CA 3.42Å; F1034-F1045 WeakPolarHBondContact O-CD1 3.32Å; F1034-I1046 HydrophobicContact CB-CD1 3.88Å; F1034-I1046 HydrophobicContact CB-CG1 3.61Å; F1034-I1046 PolarHBondContact O-N 2.61Å; F1034-I1046 VanDerWaalsContact O-N 3.12Å; F1034-L1069 HydrophobicContact CD2-CB 4.27Å; F1034-L1069 HydrophobicContact CD2-CD1 4.16Å; F1034-L1069 HydrophobicContact CD2-CD2 4.22Å; F1034-L1069 HydrophobicContact CD2-CG 4.45Å; F1034-L1069 HydrophobicContact CE2-CB 3.9Å; F1034-L1069 HydrophobicContact CE2-CD1 4.48Å; F1034-L1074 HydrophobicContact CD1-CD1 3.54Å; F1034-L1074 HydrophobicContact CD2-CD1 4.09Å; F1034-L1074 HydrophobicContact CE1-CD1 3.47Å; F1034-L1074 VanDerWaalsContact CE1-CD1 3.47Å; F1034-L1074 HydrophobicContact CE2-CD1 4.02Å; F1034-L1074 HydrophobicContact CG-CD1 3.86Å; F1034-L1074 HydrophobicContact CZ-CD1 3.71Å; F1034-L1128 HydrophobicContact CB-CD1 3.82Å; F1034-L1128 HydrophobicContact CD1-CD1 4.26Å; F1034-I1131 HydrophobicContact CD1-CD1 3.94Å; F1034-I1131 HydrophobicContact CD1-CG1 3.75Å; F1034-I1131 HydrophobicContact CD1-CG2 4.35Å; F1034-I1131 HydrophobicContact CE1-CD1 3.74Å; F1034-I1131 HydrophobicContact CE1-CG1 4Å; F1034-I1131 HydrophobicContact CE1-CG2 4.2Å; F1034-L1257 HydrophobicContact CD1-CD2 4.33Å; F1034-L1257 HydrophobicContact CE1-CD2 3.91Å; F1034-I1262 HydrophobicContact CZ-CD1 3.97Å
1035E96.9Very high90.7Very high0 Ų029.9 Ų29.90%016%0.163CC..EExtended strand (participates in β ladder)trans-91125.8-173.2179.7-172.5129.900111.2F978 R1043 F1045 S1129 R1130 Y1132F978-E1035 HydrophobicContact CZ-CG 4.34Å; E1035-R1043 VanDerWaalsContact CD-NE 3.25Å; E1035-R1043 VanDerWaalsContact CD-NH2 3.32Å; E1035-R1043 HydrophobicContact CG-CB 4.46Å; E1035-R1043 IonicContact OE1-CZ 2.95Å; E1035-R1043 IonicContact OE1-NE 2.83Å; E1035-R1043 PolarHBondContact OE1-NE 2.69Å; E1035-R1043 IonicContact OE1-NH2 2.86Å; E1035-R1043 PolarHBondContact OE1-NH2 3.25Å; E1035-R1043 IonicContact OE2-CZ 3.82Å; E1035-R1043 IonicContact OE2-NE 3.4Å; E1035-R1043 PolarHBondContact OE2-NE 2.86Å; E1035-R1043 IonicContact OE2-NH2 2.79Å; E1035-R1043 PolarHBondContact OE2-NH2 2.98Å; E1035-F1045 HydrophobicContact CB-CD1 4.18Å; E1035-F1045 HydrophobicContact CB-CE1 3.79Å; E1035-S1129 PolarHBondContact O-N 3.13Å; E1035-S1129 PolarHBondContact O-OG 2.96Å; E1035-S1129 PolarHBondContact OE1-OG 2.81Å; E1035-R1130 HydrophobicContact CB-CB 4.1Å; E1035-R1130 WeakPolarHBondContact CB-O 3.49Å; E1035-R1130 PolarHBondContact N-O 2.95Å; E1035-R1130 PolarHBondContact O-N 3.24Å; E1035-R1130 IonicContact OE1-CZ 3.72Å; E1035-R1130 IonicContact OE1-NH1 3.57Å; E1035-R1130 PolarHBondContact OE1-NH1 2.67Å; E1035-Y1132 HydrophobicContact CB-CD2 4.47Å; E1035-Y1132 HydrophobicContact CB-CE2 4.19Å; E1035-Y1132 WeakPolarHBondContact OE2-CE2 3.09Å; E1035-Y1132 PolarHBondContact OE2-OH 3Å
1036M96Very high92.7Very high0 Ų026.4 Ų26.40%014%0.139CC..EExtended strand (participates in β ladder)trans-97.8135.9168-54.1-60.4-74.500109.4R1043 F1044 I1046 M1078 A1126 Q1127 L1128M1036-R1043 VanDerWaalsContact O-CA 3.26Å; M1036-R1043 WeakPolarHBondContact O-CA 3.31Å; M1036-F1044 HydrophobicContact CB-CD2 3.92Å; M1036-F1044 HydrophobicContact CB-CE1 4.22Å; M1036-F1044 HydrophobicContact CB-CE2 3.49Å; M1036-F1044 VanDerWaalsContact CB-CE2 3.49Å; M1036-F1044 HydrophobicContact CB-CG 4.49Å; M1036-F1044 HydrophobicContact CB-CZ 3.66Å; M1036-F1044 HydrophobicContact CG-CD2 4.21Å; M1036-F1044 HydrophobicContact CG-CE2 3.73Å; M1036-F1044 HydrophobicContact CG-CZ 4.3Å; M1036-F1044 PolarHBondContact N-O 2.88Å; M1036-F1044 PolarHBondContact O-N 3.07Å; M1036-F1044 VanDerWaalsContact O-N 3.11Å; M1036-I1046 HydrophobicContact CG-CG2 3.62Å; M1036-I1046 HydrophobicContact SD-CG2 4.47Å; M1036-M1078 HydrophobicContact CE-CB 4.01Å; M1036-M1078 HydrophobicContact CE-CG 3.52Å; M1036-M1078 HydrophobicContact CE-SD 3.9Å; M1036-M1078 HydrophobicContact CG-CG 4.19Å; M1036-M1078 HydrophobicContact CG-SD 3.65Å; M1036-M1078 HydrophobicContact SD-SD 4.3Å; M1036-A1126 HydrophobicContact CB-CB 3.87Å; M1036-A1126 WeakPolarHBondContact CE-O 3.5Å; M1036-Q1127 CarbonylContact C-O 3.59Å; M1036-Q1127 WeakPolarHBondContact CA-O 3.44Å; M1036-L1128 HydrophobicContact CE-CB 4.24Å; M1036-L1128 WeakPolarHBondContact SD-CA 3.39Å; M1036-L1128 HydrophobicContact SD-CB 3.62Å; M1036-L1128 HydrophobicContact SD-CD1 3.75Å; M1036-L1128 HydrophobicContact SD-CG 4.28Å; M1036-L1128 PolarHBondContact SD-N 3.33Å
1037E95.6Very high93.5Very high15 Ų1521.6 Ų21.67%0.0711%0.113CC..EExtended strand (participates in β ladder)trans-127.1130.1176.7179.7170.7-145.700109.8S678 S679 H1042 R1043 A1126 Q1127 S1129 R1130S678-E1037 WeakPolarHBondContact CA-OE1 3.32Å; S679-E1037 WeakPolarHBondContact CB-OE1 3.38Å; S679-E1037 PolarHBondContact N-OE1 2.99Å; S679-E1037 PolarHBondContact OG-OE1 2.75Å; E1037-H1042 WeakPolarHBondContact CA-O 3.33Å; E1037-R1043 HydrophobicContact CB-CG 4.4Å; E1037-R1043 HydrophobicContact CG-CG 4.28Å; E1037-A1126 CarbonylContact O-C 3.58Å; E1037-A1126 WeakPolarHBondContact O-CA 3.35Å; E1037-Q1127 PolarHBondContact N-O 3.29Å; E1037-Q1127 PolarHBondContact O-N 3.34Å; E1037-S1129 WeakPolarHBondContact CB-OG 3.4Å; E1037-R1130 IonicContact OE2-CZ 3.61Å; E1037-R1130 IonicContact OE2-NH1 2.72Å; E1037-R1130 PolarHBondContact OE2-NH1 3.26Å; E1037-R1130 IonicContact OE2-NH2 3.52Å; E1037-R1130 PolarHBondContact OE2-NH2 3.25Å; E1037-R1130 VanDerWaalsContact OE2-NH2 3.13Å
1038C93Very high93.8Very high4 Ų417.9 Ų17.93%0.0279%0.092CC..EExtended strand (participates in β ladder)trans-97.8166.4174.8830000112.2M1040 G1041 H1042 C1080 V1124 A1126C1038-M1040 PolarHBondContact O-N 3.13Å; C1038-M1040 VanDerWaalsContact O-N 3.07Å; C1038-M1040 PolarHBondContact SG-N 3.02Å; C1038-G1041 PolarHBondContact O-N 2.99Å; C1038-H1042 PolarHBondContact N-O 3.12Å; C1038-C1080 HydrophobicContact CB-CB 3.85Å; C1038-C1080 VanDerWaalsContact SG-SG 3.63Å; C1038-V1124 HydrophobicContact CB-CG1 3.82Å; C1038-A1126 HydrophobicContact CB-CB 3.98Å
1039S90Very high93.6Very high34 Ų3419.1 Ų19.124%0.23810%0.1CC..THydrogen-bonded Turntrans-61.2-17.8179.850.30000114M676 I677 G1041M676-S1039 WeakPolarHBondContact CA-O 3.27Å; I677-S1039 PolarHBondContact N-O 2.8Å; S1039-G1041 VanDerWaalsContact C-N 3.32Å
1040M90.6Very high93.3Very high85 Ų8520.3 Ų20.342%0.41911%0.111SC..BIsolated β-bridgetrans-87.61.4174.7-55.2-65.8103.900113C1038C1038-M1040 PolarHBondContact O-N 3.13Å; C1038-M1040 VanDerWaalsContact O-N 3.07Å; C1038-M1040 PolarHBondContact SG-N 3.02Å
1041G92.4Very high93.2Very high4 Ų428.8 Ų28.84%0.04114%0.143CC..  trans79.99.2-179.300000115.1Q686 C1038 S1039Q686-G1041 PolarHBondContact NE2-O 3.08Å; C1038-G1041 PolarHBondContact O-N 2.99Å; S1039-G1041 VanDerWaalsContact C-N 3.32Å
1042H94.5Very high93Very high73 Ų7329.9 Ų29.934%0.33815%0.149SC..  trans-75138171.5-59.2113.7000110.8M979 E1037 C1038 C1082M979-H1042 HydrophobicContact CG-CB 4.3Å; E1037-H1042 WeakPolarHBondContact CA-O 3.33Å; C1038-H1042 PolarHBondContact N-O 3.12Å; H1042-C1082 VanDerWaalsContact CE1-CB 3.45Å; H1042-C1082 WeakPolarHBondContact CE1-CB 3.28Å; H1042-C1082 WeakPolarHBondContact ND1-CB 3.37Å
1043R95Very high92.7Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-127.4146.7-175.6-58.8164.669.2-172.34.5111.4G683 R976 G977 F978 M979 S982 E1035 M1036 E1037 Y1132G683-R1043 PolarHBondContact O-NH1 2.83Å; G683-R1043 PolarHBondContact O-NH2 2.83Å; R976-R1043 WeakPolarHBondContact O-CD 3.3Å; R976-R1043 PolarHBondContact O-NH1 2.75Å; G977-R1043 PolarHBondContact O-N 3.41Å; F978-R1043 CarbonylContact C-O 3.55Å; F978-R1043 VanDerWaalsContact CA-O 3.29Å; F978-R1043 WeakPolarHBondContact CA-O 3.36Å; F978-R1043 HydrophobicContact CD1-CB 4.04Å; F978-R1043 HydrophobicContact CD2-CB 4.35Å; F978-R1043 HydrophobicContact CE1-CB 4.15Å; F978-R1043 HydrophobicContact CE2-CB 4.45Å; F978-R1043 VanDerWaalsContact CE2-CZ 3.43Å; F978-R1043 HydrophobicContact CG-CB 4.14Å; F978-R1043 HydrophobicContact CZ-CB 4.36Å; M979-R1043 PolarHBondContact N-O 3.43Å; S982-R1043 PolarHBondContact OG-O 3.46Å; E1035-R1043 VanDerWaalsContact CD-NE 3.25Å; E1035-R1043 VanDerWaalsContact CD-NH2 3.32Å; E1035-R1043 HydrophobicContact CG-CB 4.46Å; E1035-R1043 IonicContact OE1-CZ 2.95Å; E1035-R1043 IonicContact OE1-NE 2.83Å; E1035-R1043 PolarHBondContact OE1-NE 2.69Å; E1035-R1043 IonicContact OE1-NH2 2.86Å; E1035-R1043 PolarHBondContact OE1-NH2 3.25Å; E1035-R1043 IonicContact OE2-CZ 3.82Å; E1035-R1043 IonicContact OE2-NE 3.4Å; E1035-R1043 PolarHBondContact OE2-NE 2.86Å; E1035-R1043 IonicContact OE2-NH2 2.79Å; E1035-R1043 PolarHBondContact OE2-NH2 2.98Å; M1036-R1043 VanDerWaalsContact O-CA 3.26Å; M1036-R1043 WeakPolarHBondContact O-CA 3.31Å; E1037-R1043 HydrophobicContact CB-CG 4.4Å; E1037-R1043 HydrophobicContact CG-CG 4.28Å; R1043-Y1132 PolarHBondContact NH2-OH 3.41Å
1044F96Very high92.2Very high0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-160.6149173.550.6-90.6000110.9M979 S982 M1036 I1046 I1052 M1078 C1080 A1126M979-F1044 HydrophobicContact CG-CD1 4.44Å; M979-F1044 HydrophobicContact SD-CD1 3.73Å; M979-F1044 HydrophobicContact SD-CE1 4.35Å; M979-F1044 HydrophobicContact SD-CG 4.48Å; S982-F1044 WeakPolarHBondContact OG-CA 3.38Å; S982-F1044 WeakPolarHBondContact OG-CB 3.34Å; M1036-F1044 HydrophobicContact CB-CD2 3.92Å; M1036-F1044 HydrophobicContact CB-CE1 4.22Å; M1036-F1044 HydrophobicContact CB-CE2 3.49Å; M1036-F1044 VanDerWaalsContact CB-CE2 3.49Å; M1036-F1044 HydrophobicContact CB-CG 4.49Å; M1036-F1044 HydrophobicContact CB-CZ 3.66Å; M1036-F1044 HydrophobicContact CG-CD2 4.21Å; M1036-F1044 HydrophobicContact CG-CE2 3.73Å; M1036-F1044 HydrophobicContact CG-CZ 4.3Å; M1036-F1044 PolarHBondContact N-O 2.88Å; M1036-F1044 PolarHBondContact O-N 3.07Å; M1036-F1044 VanDerWaalsContact O-N 3.11Å; F1044-I1046 HydrophobicContact CD2-CG2 4.49Å; F1044-I1046 HydrophobicContact CE2-CG2 4.41Å; F1044-I1052 HydrophobicContact CB-CG2 3.85Å; F1044-I1052 HydrophobicContact CD2-CB 4.17Å; F1044-I1052 HydrophobicContact CD2-CD1 4.07Å; F1044-I1052 HydrophobicContact CD2-CG1 3.82Å; F1044-I1052 HydrophobicContact CD2-CG2 3.51Å; F1044-I1052 HydrophobicContact CE2-CB 4.46Å; F1044-I1052 HydrophobicContact CE2-CD1 3.69Å; F1044-I1052 HydrophobicContact CE2-CG1 3.61Å; F1044-I1052 HydrophobicContact CE2-CG2 4.21Å; F1044-I1052 HydrophobicContact CG-CG2 3.8Å; F1044-I1052 HydrophobicContact CZ-CD1 3.93Å; F1044-I1052 HydrophobicContact CZ-CG1 4.35Å; F1044-M1078 HydrophobicContact CE2-CE 4.08Å; F1044-M1078 HydrophobicContact CE2-CG 4.1Å; F1044-M1078 HydrophobicContact CE2-SD 3.63Å; F1044-M1078 HydrophobicContact CZ-CG 4.11Å; F1044-M1078 HydrophobicContact CZ-SD 4.25Å; F1044-C1080 HydrophobicContact CE1-CB 4.34Å; F1044-A1126 HydrophobicContact CE1-CB 3.9Å; F1044-A1126 HydrophobicContact CZ-CB 3.68Å
1045F96.5Very high91.4Very high0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-81.3150.2168-69.4-62.5000111.5L973 F978 S982 F984 L985 F1034 E1035 M1053 Y1132L973-F1045 HydrophobicContact CD1-CE2 3.63Å; L973-F1045 HydrophobicContact CD1-CZ 3.4Å; L973-F1045 VanDerWaalsContact CD1-CZ 3.4Å; F978-F1045 HydrophobicContact CD1-CD2 4.46Å; F978-F1045 HydrophobicContact CD1-CE2 4.32Å; F978-F1045 AromaticContact CE1-CD2 3.7Å; F978-F1045 HydrophobicContact CE1-CD2 3.7Å; F978-F1045 HydrophobicContact CE1-CE1 4.42Å; F978-F1045 AromaticContact CE1-CE2 3.34Å; F978-F1045 HydrophobicContact CE1-CE2 3.34Å; F978-F1045 HydrophobicContact CE1-CG 4.34Å; F978-F1045 AromaticContact CE1-CZ 3.74Å; F978-F1045 HydrophobicContact CE1-CZ 3.74Å; F978-F1045 HydrophobicContact CZ-CD2 4.36Å; F978-F1045 HydrophobicContact CZ-CE1 4.44Å; F978-F1045 AromaticContact CZ-CE2 3.55Å; F978-F1045 HydrophobicContact CZ-CE2 3.55Å; F978-F1045 AromaticContact CZ-CZ 3.59Å; F978-F1045 HydrophobicContact CZ-CZ 3.59Å; S982-F1045 VanDerWaalsContact O-CD2 3.22Å; S982-F1045 WeakPolarHBondContact O-CD2 3.46Å; S982-F1045 PolarHBondContact O-N 2.61Å; F984-F1045 WeakPolarHBondContact O-CD2 3.5Å; L985-F1045 HydrophobicContact CD2-CD1 4.39Å; L985-F1045 HydrophobicContact CD2-CD2 4.34Å; L985-F1045 HydrophobicContact CD2-CE1 3.89Å; L985-F1045 HydrophobicContact CD2-CE2 3.85Å; L985-F1045 HydrophobicContact CD2-CZ 3.62Å; F1034-F1045 WeakPolarHBondContact O-CA 3.42Å; F1034-F1045 WeakPolarHBondContact O-CD1 3.32Å; E1035-F1045 HydrophobicContact CB-CD1 4.18Å; E1035-F1045 HydrophobicContact CB-CE1 3.79Å; F1045-M1053 HydrophobicContact CB-CB 4.2Å; F1045-M1053 HydrophobicContact CB-CE 4.01Å; F1045-M1053 HydrophobicContact CB-SD 4.18Å; F1045-M1053 WeakPolarHBondContact O-CB 3.16Å; F1045-M1053 PolarHBondContact O-N 3.39Å; F1045-Y1132 AromaticContact CE1-CD2 3.68Å; F1045-Y1132 HydrophobicContact CE1-CD2 3.68Å; F1045-Y1132 HydrophobicContact CE1-CE2 4.26Å; F1045-Y1132 HydrophobicContact CE1-CG 4.3Å; F1045-Y1132 AromaticContact CZ-CD2 3.84Å; F1045-Y1132 HydrophobicContact CZ-CD2 3.84Å; F1045-Y1132 HydrophobicContact CZ-CE2 4.23Å; F1045-Y1132 HydrophobicContact CZ-CG 4.22Å
1046I95.4Very high90.6Very high1 Ų143.2 Ų43.21%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-96.7149.9171.358.5168.2000111.9F1034 M1036 F1044 R1051 L1069 L1074 M1078F1034-I1046 HydrophobicContact CB-CD1 3.88Å; F1034-I1046 HydrophobicContact CB-CG1 3.61Å; F1034-I1046 PolarHBondContact O-N 2.61Å; F1034-I1046 VanDerWaalsContact O-N 3.12Å; M1036-I1046 HydrophobicContact CG-CG2 3.62Å; M1036-I1046 HydrophobicContact SD-CG2 4.47Å; F1044-I1046 HydrophobicContact CD2-CG2 4.49Å; F1044-I1046 HydrophobicContact CE2-CG2 4.41Å; I1046-R1051 CarbonylContact C-O 3.45Å; I1046-R1051 WeakPolarHBondContact CA-O 3.26Å; I1046-L1069 HydrophobicContact CD1-CD2 3.76Å; I1046-L1069 HydrophobicContact CG1-CD2 3.91Å; I1046-L1074 HydrophobicContact CD1-CD1 4.47Å; I1046-M1078 HydrophobicContact CG2-CE 4.14Å; I1046-M1078 HydrophobicContact CG2-SD 3.37Å; I1046-M1078 WeakPolarHBondContact CG2-SD 3.29Å
1047T92.5Very high90Very high13 Ų1346 Ų468%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-110.3-4.9175.359.30000112.7L986 R1051 M1053 M1057 A1065L986-T1047 HydrophobicContact CD2-CG2 4.45Å; T1047-R1051 PolarHBondContact N-O 3.29Å; T1047-R1051 WeakPolarHBondContact OG1-CB 3.18Å; T1047-R1051 PolarHBondContact OG1-O 3.1Å; T1047-M1053 HydrophobicContact CG2-CB 3.86Å; T1047-M1053 HydrophobicContact CG2-CE 3.97Å; T1047-M1053 HydrophobicContact CG2-CG 4.19Å; T1047-M1057 HydrophobicContact CG2-CE 4.31Å; T1047-M1057 HydrophobicContact CG2-SD 3.55Å; T1047-M1057 VanDerWaalsContact CG2-SD 3.55Å; T1047-A1065 WeakPolarHBondContact O-CA 3.33Å; T1047-A1065 WeakPolarHBondContact O-CB 3.41Å
1048G88.6Confident89.6Confident7 Ų751.5 Ų51.57%0.07227%0.268CS..EExtended strand (participates in β ladder)trans-174.8-177.4175.600000110D1050 R1051G1048-D1050 PolarHBondContact O-N 3.11Å; G1048-D1050 VanDerWaalsContact O-N 3.11Å; G1048-R1051 PolarHBondContact O-N 3.4Å
1049T85.6Confident89.2Confident44 Ų4455.4 Ų55.427%0.2730%0.296SS..THydrogen-bonded Turntrans-64.7-14.8-17755.40000114.5R1072 D1073 L1074 P1075T1049-R1072 HydrophobicContact CG2-CB 4.44Å; T1049-D1073 VanDerWaalsContact CG2-O 3.3Å; T1049-D1073 WeakPolarHBondContact CG2-O 3.47Å; T1049-L1074 HydrophobicContact CG2-CD2 3.95Å; T1049-P1075 WeakPolarHBondContact O-CG 3.31Å
1050D84.5Confident89.1Confident127 Ų12756.2 Ų56.268%0.67930%0.301SS*.THydrogen-bonded Turntrans-144.627.6-179.1-165.821.3000111.4G1048G1048-D1050 PolarHBondContact O-N 3.11Å; G1048-D1050 VanDerWaalsContact O-N 3.11Å
1051R90.1Very high89Confident182 Ų18255.5 Ų55.569%0.68730%0.297SS*.EExtended strand (participates in β ladder)trans-137.2123.8-175.3-65.3-171.4-174.2-162.4-0.4111.6I1046 T1047 G1048I1046-R1051 CarbonylContact C-O 3.45Å; I1046-R1051 WeakPolarHBondContact CA-O 3.26Å; T1047-R1051 PolarHBondContact N-O 3.29Å; T1047-R1051 WeakPolarHBondContact OG1-CB 3.18Å; T1047-R1051 PolarHBondContact OG1-O 3.1Å; G1048-R1051 PolarHBondContact O-N 3.4Å
1052I90.3Very high88.9Confident34 Ų3456.1 Ų56.117%0.17430%0.3CS..EExtended strand (participates in β ladder)trans-79.5151172.5-57.2178.9000109.1F1044 M1078 Q1081F1044-I1052 HydrophobicContact CB-CG2 3.85Å; F1044-I1052 HydrophobicContact CD2-CB 4.17Å; F1044-I1052 HydrophobicContact CD2-CD1 4.07Å; F1044-I1052 HydrophobicContact CD2-CG1 3.82Å; F1044-I1052 HydrophobicContact CD2-CG2 3.51Å; F1044-I1052 HydrophobicContact CE2-CB 4.46Å; F1044-I1052 HydrophobicContact CE2-CD1 3.69Å; F1044-I1052 HydrophobicContact CE2-CG1 3.61Å; F1044-I1052 HydrophobicContact CE2-CG2 4.21Å; F1044-I1052 HydrophobicContact CG-CG2 3.8Å; F1044-I1052 HydrophobicContact CZ-CD1 3.93Å; F1044-I1052 HydrophobicContact CZ-CG1 4.35Å; I1052-M1078 HydrophobicContact CD1-CE 4.17Å; I1052-M1078 HydrophobicContact CG1-CE 3.52Å; I1052-Q1081 HydrophobicContact CD1-CG 3.85Å
1053M90.6Very high88.8Confident7 Ų760.4 Ų60.43%0.03431%0.313CS..  trans-73124.6170.1-176.6170.4-69.200111.1S982 F984 L986 F1045 T1047S982-M1053 WeakPolarHBondContact CA-O 3.32Å; S982-M1053 WeakPolarHBondContact CB-O 3.37Å; F984-M1053 VanDerWaalsContact C-SD 3.6Å; F984-M1053 HydrophobicContact CB-SD 3.6Å; F984-M1053 WeakPolarHBondContact O-CE 3.39Å; L986-M1053 HydrophobicContact CD2-CE 3.81Å; L986-M1053 HydrophobicContact CG-CE 3.81Å; F1045-M1053 HydrophobicContact CB-CB 4.2Å; F1045-M1053 HydrophobicContact CB-CE 4.01Å; F1045-M1053 HydrophobicContact CB-SD 4.18Å; F1045-M1053 WeakPolarHBondContact O-CB 3.16Å; F1045-M1053 PolarHBondContact O-N 3.39Å; T1047-M1053 HydrophobicContact CG2-CB 3.86Å; T1047-M1053 HydrophobicContact CG2-CE 3.97Å; T1047-M1053 HydrophobicContact CG2-CG 4.19Å
1054D84.7Confident88.6Confident136 Ų13667.6 Ų67.673%0.72734%0.34SS*.  trans-132.277177.2-172.616.3000109.4
1055G80.8Confident88.5Confident6 Ų667.8 Ų67.86%0.06234%0.342CS..SBendtrans75.1-164.8174.800000116.3N981N981-G1055 PolarHBondContact O-N 3.38Å
1056P79.8Confident88.4Confident136 Ų13668.1 Ų68.188%0.88334%0.344SS*.  trans-70.9134.3-172.628.1-33.6000111.8
1057M82.8Confident88.2Confident59 Ų5973.9 Ų73.929%0.29137%0.371SS..  trans-106.8153.2-179.4-63.5172.572.100111.4L986 T1047 Q1061 V1062 A1065L986-M1057 HydrophobicContact CD2-SD 3.94Å; T1047-M1057 HydrophobicContact CG2-CE 4.31Å; T1047-M1057 HydrophobicContact CG2-SD 3.55Å; T1047-M1057 VanDerWaalsContact CG2-SD 3.55Å; M1057-Q1061 HydrophobicContact CB-CB 4.34Å; M1057-Q1061 HydrophobicContact CE-CB 3.8Å; M1057-V1062 HydrophobicContact CB-CG2 3.61Å; M1057-A1065 HydrophobicContact CE-CB 4.06Å
1058Q87.3Confident88.2Confident129 Ų12974.3 Ų74.360%0.60337%0.374SS*.  trans-66.6147.1172.8-62.1178.710.400110.9S1060 Q1061 V1062Q1058-S1060 PolarHBondContact O-N 3.44Å; Q1058-Q1061 HydrophobicContact CB-CG 4.17Å; Q1058-Q1061 VanDerWaalsContact N-OE1 3.08Å; Q1058-Q1061 WeakPolarHBondContact O-CA 3.46Å; Q1058-Q1061 WeakPolarHBondContact O-CB 3.3Å; Q1058-Q1061 PolarHBondContact O-N 2.86Å; Q1058-V1062 WeakPolarHBondContact O-CG2 3.44Å; Q1058-V1062 PolarHBondContact O-N 3.19Å
1059S85.2Confident88.4Confident87 Ų8774.2 Ų74.261%0.60837%0.372SS*.Hα-helixtrans-54.3-35.9-174.5-47.70000114.3V1062 R1063S1059-V1062 PolarHBondContact O-N 3.1Å; S1059-R1063 PolarHBondContact O-N 2.96Å; S1059-R1063 VanDerWaalsContact O-N 3.15Å
1060S87.2Confident88.7Confident51 Ų5173.4 Ų73.436%0.35737%0.366SS..Hα-helixtrans-70.3-32.2175.455.50000113.4Q1058 R1064Q1058-S1060 PolarHBondContact O-N 3.44Å; S1060-R1064 PolarHBondContact O-N 3.33Å; S1060-R1064 PolarHBondContact O-NE 3.25Å
1061Q90.1Very high89Confident69 Ų6970.5 Ų70.532%0.32235%0.353SS..Hα-helixtrans-71.9-40175.3-63.1172-25.700110.5M1057 Q1058 R1064 A1065M1057-Q1061 HydrophobicContact CB-CB 4.34Å; M1057-Q1061 HydrophobicContact CE-CB 3.8Å; Q1058-Q1061 HydrophobicContact CB-CG 4.17Å; Q1058-Q1061 VanDerWaalsContact N-OE1 3.08Å; Q1058-Q1061 WeakPolarHBondContact O-CA 3.46Å; Q1058-Q1061 WeakPolarHBondContact O-CB 3.3Å; Q1058-Q1061 PolarHBondContact O-N 2.86Å; Q1061-R1064 PolarHBondContact O-N 3.11Å; Q1061-A1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-A1065 PolarHBondContact O-N 2.86Å
1062V90.2Very high89Confident17 Ų1768.4 Ų68.410%0.10335%0.345CS..Hα-helixtrans-59.7-49.2175.9176.40000111.6L986 P987 M1057 Q1058 S1059 R1064 A1065 V1066L986-V1062 HydrophobicContact CD2-CG1 4.37Å; P987-V1062 HydrophobicContact CG-CG1 3.63Å; M1057-V1062 HydrophobicContact CB-CG2 3.61Å; Q1058-V1062 WeakPolarHBondContact O-CG2 3.44Å; Q1058-V1062 PolarHBondContact O-N 3.19Å; S1059-V1062 PolarHBondContact O-N 3.1Å; V1062-R1064 VanDerWaalsContact C-N 3.29Å; V1062-R1064 PolarHBondContact O-N 3.43Å; V1062-A1065 WeakPolarHBondContact O-CB 3.47Å; V1062-A1065 PolarHBondContact O-N 2.95Å; V1062-A1065 VanDerWaalsContact O-N 3.13Å; V1062-V1066 HydrophobicContact CG1-CG2 4.41Å; V1062-V1066 WeakPolarHBondContact O-CG2 3.01Å; V1062-V1066 PolarHBondContact O-N 3.4Å
1063R91.2Very high89.1Confident163 Ų16369.4 Ų69.462%0.61535%0.351SS*.Hα-helixtrans-59.3-40.4177.1-69.4-170.9-139.4126.73.8112.5S1059 H1067S1059-R1063 PolarHBondContact O-N 2.96Å; S1059-R1063 VanDerWaalsContact O-N 3.15Å; R1063-H1067 VanDerWaalsContact O-CB 3.26Å; R1063-H1067 WeakPolarHBondContact O-CB 3.49Å; R1063-H1067 PolarHBondContact O-N 2.88Å
1064R92Very high89.3Confident151 Ų15169.2 Ų69.257%0.5735%0.35SS*.Hα-helixtrans-64.9-41.2175.3-85.5-175.6-90.2106.2-7.3112.2S1060 Q1061 V1062 S1068S1060-R1064 PolarHBondContact O-N 3.33Å; S1060-R1064 PolarHBondContact O-NE 3.25Å; Q1061-R1064 PolarHBondContact O-N 3.11Å; V1062-R1064 VanDerWaalsContact C-N 3.29Å; V1062-R1064 PolarHBondContact O-N 3.43Å; R1064-S1068 VanDerWaalsContact O-CB 3.25Å; R1064-S1068 WeakPolarHBondContact O-CB 3.46Å; R1064-S1068 PolarHBondContact O-N 2.99Å
1065A93.9Very high89.7Confident5 Ų563.8 Ų63.84%0.04132%0.322CS..Hα-helixtrans-62.6-53177.300000111.2L986 T1047 M1057 Q1061 V1062 H1067 S1068 L1069L986-A1065 HydrophobicContact CD1-CB 3.87Å; L986-A1065 HydrophobicContact CD2-CB 4.5Å; T1047-A1065 WeakPolarHBondContact O-CA 3.33Å; T1047-A1065 WeakPolarHBondContact O-CB 3.41Å; M1057-A1065 HydrophobicContact CE-CB 4.06Å; Q1061-A1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-A1065 PolarHBondContact O-N 2.86Å; V1062-A1065 WeakPolarHBondContact O-CB 3.47Å; V1062-A1065 PolarHBondContact O-N 2.95Å; V1062-A1065 VanDerWaalsContact O-N 3.13Å; A1065-H1067 PolarHBondContact O-N 3.45Å; A1065-S1068 WeakPolarHBondContact O-CB 3.36Å; A1065-S1068 PolarHBondContact O-N 3.48Å; A1065-S1068 VanDerWaalsContact O-N 3.17Å; A1065-L1069 VanDerWaalsContact O-CG 3.3Å; A1065-L1069 WeakPolarHBondContact O-CG 3.44Å; A1065-L1069 PolarHBondContact O-N 3.01Å
1066V93.1Very high90.3Very high7 Ų763.5 Ų63.54%0.04232%0.319CS..Hα-helixtrans-57.9-48.3177.6171.60000111.6L986 P987 W988 I1032 V1062 S1068 L1069 L1070L986-V1066 HydrophobicContact CB-CG2 3.66Å; L986-V1066 HydrophobicContact CD1-CG2 4.34Å; P987-V1066 WeakPolarHBondContact O-CG2 3.14Å; W988-V1066 HydrophobicContact CB-CG1 3.63Å; W988-V1066 HydrophobicContact CB-CG2 4.41Å; W988-V1066 HydrophobicContact CD2-CG1 4.27Å; W988-V1066 HydrophobicContact CG-CG1 3.54Å; I1032-V1066 HydrophobicContact CG2-CG2 4.34Å; V1062-V1066 HydrophobicContact CG1-CG2 4.41Å; V1062-V1066 WeakPolarHBondContact O-CG2 3.01Å; V1062-V1066 PolarHBondContact O-N 3.4Å; V1066-S1068 PolarHBondContact O-N 3.1Å; V1066-L1069 PolarHBondContact O-N 2.82Å; V1066-L1070 HydrophobicContact CG1-CD1 3.83Å; V1066-L1070 WeakPolarHBondContact O-CG 3.35Å; V1066-L1070 PolarHBondContact O-N 3.01Å; V1066-L1070 VanDerWaalsContact O-N 3.11Å
1067H92Very high90.8Very high121 Ų12157.4 Ų57.456%0.5628%0.279SS*.Hα-helixtrans-57.5-49.4175.9179.6-73.5000111R1063 A1065 L1069 L1070 T1071R1063-H1067 VanDerWaalsContact O-CB 3.26Å; R1063-H1067 WeakPolarHBondContact O-CB 3.49Å; R1063-H1067 PolarHBondContact O-N 2.88Å; A1065-H1067 PolarHBondContact O-N 3.45Å; H1067-L1069 VanDerWaalsContact C-N 3.27Å; H1067-L1069 PolarHBondContact O-N 3.13Å; H1067-L1070 PolarHBondContact O-N 2.83Å; H1067-T1071 PolarHBondContact CE1-OG1 2.79Å; H1067-T1071 PolarHBondContact ND1-OG1 2.95Å; H1067-T1071 WeakPolarHBondContact O-CG2 3.4Å; H1067-T1071 PolarHBondContact O-N 3.42Å; H1067-T1071 PolarHBondContact O-OG1 2.89Å
1068S92Very high91.2Very high22 Ų2255.1 Ų55.115%0.15427%0.267CS..Hα-helixtrans-58.9-37.7178.6-174.80000112.8R1064 A1065 V1066 R1072R1064-S1068 VanDerWaalsContact O-CB 3.25Å; R1064-S1068 WeakPolarHBondContact O-CB 3.46Å; R1064-S1068 PolarHBondContact O-N 2.99Å; A1065-S1068 WeakPolarHBondContact O-CB 3.36Å; A1065-S1068 PolarHBondContact O-N 3.48Å; A1065-S1068 VanDerWaalsContact O-N 3.17Å; V1066-S1068 PolarHBondContact O-N 3.1Å; S1068-R1072 VanDerWaalsContact O-CB 3.32Å; S1068-R1072 WeakPolarHBondContact O-CB 3.46Å; S1068-R1072 WeakPolarHBondContact O-CG 3.45Å; S1068-R1072 PolarHBondContact O-N 3.24Å; S1068-R1072 WeakPolarHBondContact OG-CD 3.5Å
1069L93.2Very high91.2Very high5 Ų552 Ų523%0.02626%0.258CS..Hα-helixtrans-73.9-27.2-178.4-70169.9000113.2L986 F1034 I1046 A1065 V1066 H1067 L1074L986-L1069 HydrophobicContact CD1-CD1 3.47Å; L986-L1069 VanDerWaalsContact CD1-CD1 3.47Å; F1034-L1069 HydrophobicContact CD2-CB 4.27Å; F1034-L1069 HydrophobicContact CD2-CD1 4.16Å; F1034-L1069 HydrophobicContact CD2-CD2 4.22Å; F1034-L1069 HydrophobicContact CD2-CG 4.45Å; F1034-L1069 HydrophobicContact CE2-CB 3.9Å; F1034-L1069 HydrophobicContact CE2-CD1 4.48Å; I1046-L1069 HydrophobicContact CD1-CD2 3.76Å; I1046-L1069 HydrophobicContact CG1-CD2 3.91Å; A1065-L1069 VanDerWaalsContact O-CG 3.3Å; A1065-L1069 WeakPolarHBondContact O-CG 3.44Å; A1065-L1069 PolarHBondContact O-N 3.01Å; V1066-L1069 PolarHBondContact O-N 2.82Å; H1067-L1069 VanDerWaalsContact C-N 3.27Å; H1067-L1069 PolarHBondContact O-N 3.13Å; L1069-L1074 HydrophobicContact CD2-CD1 4.17Å; L1069-L1074 HydrophobicContact CD2-CD2 3.75Å
1070L91.3Very high91.5Very high27 Ų2748.2 Ų48.214%0.14123%0.232CC..Hα-helixtrans-91.8-31.5-178.8-67.7173.1000113.1W988 I1032 V1066 H1067 G1260 I1262W988-L1070 HydrophobicContact CD2-CD1 3.69Å; W988-L1070 VanDerWaalsContact CE2-CD1 3.47Å; W988-L1070 HydrophobicContact CE3-CD1 3.93Å; W988-L1070 HydrophobicContact CG-CD1 4.35Å; W988-L1070 HydrophobicContact CH2-CD1 3.85Å; W988-L1070 HydrophobicContact CZ2-CD1 3.56Å; W988-L1070 HydrophobicContact CZ3-CD1 4.03Å; W988-L1070 HydrophobicContact CZ3-CD2 4.41Å; I1032-L1070 HydrophobicContact CD1-CD2 3.66Å; I1032-L1070 HydrophobicContact CD1-CG 4.46Å; V1066-L1070 HydrophobicContact CG1-CD1 3.83Å; V1066-L1070 WeakPolarHBondContact O-CG 3.35Å; V1066-L1070 PolarHBondContact O-N 3.01Å; V1066-L1070 VanDerWaalsContact O-N 3.11Å; H1067-L1070 PolarHBondContact O-N 2.83Å; L1070-G1260 PolarHBondContact O-N 3.47Å; L1070-I1262 HydrophobicContact CD2-CB 4.09Å; L1070-I1262 HydrophobicContact CD2-CD1 4.39Å; L1070-I1262 HydrophobicContact CD2-CG2 4.43Å
1071T90.4Very high91.3Very high67 Ų6751.9 Ų51.941%0.41124%0.243SC..Hα-helixtrans-101.7-8.1-172.170.70000114.7H1067 K1259H1067-T1071 PolarHBondContact CE1-OG1 2.79Å; H1067-T1071 PolarHBondContact ND1-OG1 2.95Å; H1067-T1071 WeakPolarHBondContact O-CG2 3.4Å; H1067-T1071 PolarHBondContact O-N 3.42Å; H1067-T1071 PolarHBondContact O-OG1 2.89Å; T1071-K1259 WeakPolarHBondContact O-CD 3.36Å
1072R92.1Very high91Very high137 Ų13749.5 Ų49.552%0.51723%0.234SC..SBendtrans-117.3155.6-179.7-55.9-177.571.5175.60.7110.7T1049 S1068T1049-R1072 HydrophobicContact CG2-CB 4.44Å; S1068-R1072 VanDerWaalsContact O-CB 3.32Å; S1068-R1072 WeakPolarHBondContact O-CB 3.46Å; S1068-R1072 WeakPolarHBondContact O-CG 3.45Å; S1068-R1072 PolarHBondContact O-N 3.24Å; S1068-R1072 WeakPolarHBondContact OG-CD 3.5Å
1073D92.4Very high89.9Confident55 Ų5557.4 Ų57.429%0.29427%0.269SS..  trans-66.4136.8169-57.6-22.2000109.3T1049 K1256 L1257 K1259T1049-D1073 VanDerWaalsContact CG2-O 3.3Å; T1049-D1073 WeakPolarHBondContact CG2-O 3.47Å; D1073-K1256 HydrophobicContact CB-CB 4.19Å; D1073-K1256 HydrophobicContact CB-CD 3.8Å; D1073-K1256 HydrophobicContact CB-CG 4.42Å; D1073-L1257 CarbonylContact C-O 3.57Å; D1073-L1257 WeakPolarHBondContact CA-O 3.26Å; D1073-K1259 PolarHBondContact OD1-N 3.24Å
1074L93.9Very high88.2Confident3 Ų354.7 Ų54.72%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-105141.7-178.1-60.1-177.4000110.9F1034 I1046 T1049 L1069 K1256 L1257F1034-L1074 HydrophobicContact CD1-CD1 3.54Å; F1034-L1074 HydrophobicContact CD2-CD1 4.09Å; F1034-L1074 HydrophobicContact CE1-CD1 3.47Å; F1034-L1074 VanDerWaalsContact CE1-CD1 3.47Å; F1034-L1074 HydrophobicContact CE2-CD1 4.02Å; F1034-L1074 HydrophobicContact CG-CD1 3.86Å; F1034-L1074 HydrophobicContact CZ-CD1 3.71Å; I1046-L1074 HydrophobicContact CD1-CD1 4.47Å; T1049-L1074 HydrophobicContact CG2-CD2 3.95Å; L1069-L1074 HydrophobicContact CD2-CD1 4.17Å; L1069-L1074 HydrophobicContact CD2-CD2 3.75Å; L1074-K1256 CarbonylContact O-C 3.58Å; L1074-K1256 VanDerWaalsContact O-CA 3.24Å; L1074-K1256 WeakPolarHBondContact O-CA 3.47Å; L1074-L1257 HydrophobicContact CB-CB 4.31Å; L1074-L1257 HydrophobicContact CD1-CD2 4.45Å; L1074-L1257 PolarHBondContact N-O 3.04Å; L1074-L1257 PolarHBondContact O-N 3.32Å
1075P92.1Very high85.9Confident22 Ų2252.3 Ų52.314%0.14327%0.268CS..EExtended strand (participates in β ladder)trans-67.3141.3175.531.9-37.9000110.8T1049T1049-P1075 WeakPolarHBondContact O-CG 3.31Å
1076I93.6Very high83Confident0 Ų058.5 Ų58.50%031%0.305CS..SBendtrans-79.1-28.5168.9-62.1-63.8000111Q1127 L1128 I1148 W1255 L1257I1076-Q1127 HydrophobicContact CG2-CG 4.03Å; I1076-Q1127 CarbonylContact O-C 3.59Å; I1076-Q1127 VanDerWaalsContact O-CA 3.26Å; I1076-Q1127 WeakPolarHBondContact O-CA 3.06Å; I1076-L1128 HydrophobicContact CD1-CB 4.47Å; I1076-L1128 HydrophobicContact CD1-CD2 4.17Å; I1076-L1128 PolarHBondContact O-N 3.41Å; I1076-I1148 HydrophobicContact CD1-CD1 4.02Å; I1076-I1148 HydrophobicContact CD1-CG1 4.14Å; I1076-I1148 HydrophobicContact CD1-CG2 4.06Å; I1076-I1148 HydrophobicContact CG1-CG2 4.17Å; I1076-W1255 HydrophobicContact CB-CB 4.07Å; I1076-W1255 HydrophobicContact CG1-CB 4.34Å; I1076-W1255 HydrophobicContact CG2-CE3 4.33Å; I1076-W1255 PolarHBondContact N-O 3.44Å; I1076-L1257 HydrophobicContact CD1-CB 3.95Å
1077F91.8Very high80.1Confident9 Ų962.3 Ų62.34%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-125.2139.8-179.3-61.3-76.6000111.2M1125 A1126 Q1127 K1245 P1246 C1252 W1255F1077-M1125 HydrophobicContact CB-CE 3.97Å; F1077-A1126 CarbonylContact C-O 3.57Å; F1077-A1126 VanDerWaalsContact CA-O 3.32Å; F1077-A1126 WeakPolarHBondContact CA-O 3.4Å; F1077-Q1127 HydrophobicContact CD1-CB 3.82Å; F1077-Q1127 HydrophobicContact CD1-CG 3.99Å; F1077-Q1127 HydrophobicContact CE1-CB 3.67Å; F1077-Q1127 VanDerWaalsContact CE1-CD 3.48Å; F1077-Q1127 HydrophobicContact CE1-CG 3.51Å; F1077-Q1127 HydrophobicContact CZ-CG 4.12Å; F1077-K1245 HydrophobicContact CD1-CG 4.36Å; F1077-K1245 HydrophobicContact CE1-CD 3.83Å; F1077-K1245 HydrophobicContact CE1-CG 3.68Å; F1077-K1245 HydrophobicContact CE2-CG 4.5Å; F1077-K1245 HydrophobicContact CZ-CB 4.31Å; F1077-K1245 HydrophobicContact CZ-CD 4.35Å; F1077-K1245 HydrophobicContact CZ-CG 3.77Å; F1077-P1246 HydrophobicContact CD2-CG 3.57Å; F1077-P1246 HydrophobicContact CE2-CG 3.82Å; F1077-P1246 HydrophobicContact CG-CG 4.25Å; F1077-C1252 HydrophobicContact CB-CB 4.15Å; F1077-W1255 HydrophobicContact CD2-CB 4.07Å; F1077-W1255 HydrophobicContact CD2-CD2 4.4Å; F1077-W1255 HydrophobicContact CD2-CG 4.22Å; F1077-W1255 HydrophobicContact CE2-CB 4.33Å; F1077-W1255 AromaticContact CE2-CD2 3.82Å; F1077-W1255 HydrophobicContact CE2-CD2 3.82Å; F1077-W1255 AromaticContact CE2-CE3 3.72Å; F1077-W1255 HydrophobicContact CE2-CE3 3.72Å; F1077-W1255 HydrophobicContact CE2-CG 4.12Å; F1077-W1255 HydrophobicContact CE2-CZ3 4.24Å
1078M89.9Confident77.1Confident10 Ų1064 Ų645%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-149.2157172.981.4-175.5-77.200111.2M1036 F1044 I1046 I1052 C1080 A1126M1036-M1078 HydrophobicContact CE-CB 4.01Å; M1036-M1078 HydrophobicContact CE-CG 3.52Å; M1036-M1078 HydrophobicContact CE-SD 3.9Å; M1036-M1078 HydrophobicContact CG-CG 4.19Å; M1036-M1078 HydrophobicContact CG-SD 3.65Å; M1036-M1078 HydrophobicContact SD-SD 4.3Å; F1044-M1078 HydrophobicContact CE2-CE 4.08Å; F1044-M1078 HydrophobicContact CE2-CG 4.1Å; F1044-M1078 HydrophobicContact CE2-SD 3.63Å; F1044-M1078 HydrophobicContact CZ-CG 4.11Å; F1044-M1078 HydrophobicContact CZ-SD 4.25Å; I1046-M1078 HydrophobicContact CG2-CE 4.14Å; I1046-M1078 HydrophobicContact CG2-SD 3.37Å; I1046-M1078 WeakPolarHBondContact CG2-SD 3.29Å; I1052-M1078 HydrophobicContact CD1-CE 4.17Å; I1052-M1078 HydrophobicContact CG1-CE 3.52Å; M1078-C1080 PolarHBondContact O-N 3.23Å; M1078-A1126 PolarHBondContact N-O 2.98Å; M1078-A1126 PolarHBondContact O-N 2.91Å
1079P88.8Confident74.3Confident63 Ų6368.2 Ų68.241%0.40936%0.364SS..EExtended strand (participates in β ladder)trans-65.8134.7-179.727-35000111.8T1123 M1125P1079-T1123 HydrophobicContact CB-CG2 3.49Å; P1079-T1123 VanDerWaalsContact CB-CG2 3.49Å; P1079-M1125 HydrophobicContact CB-SD 4.43Å
1080C90.1Very high71.2Confident8 Ų877.3 Ų77.35%0.05440%0.404CS..  trans-87.4138.4171.8-174.10000110.1C1038 F1044 M1078 C1082 V1124 A1126C1038-C1080 HydrophobicContact CB-CB 3.85Å; C1038-C1080 VanDerWaalsContact SG-SG 3.63Å; F1044-C1080 HydrophobicContact CE1-CB 4.34Å; M1078-C1080 PolarHBondContact O-N 3.23Å; C1080-C1082 PolarHBondContact O-N 3.47Å; C1080-C1082 VanDerWaalsContact SG-SG 3.62Å; C1080-V1124 HydrophobicContact CB-CB 4.32Å; C1080-V1124 WeakPolarHBondContact CB-O 3.25Å; C1080-V1124 PolarHBondContact N-O 2.96Å; C1080-A1126 HydrophobicContact CB-CB 4.17Å
1081Q83.6Confident68.2Low129 Ų12982.3 Ų82.360%0.60343%0.43SS*.  trans-81.716.4177.9-69.3-179.5-4.500113.8M979 I1052 H1083M979-Q1081 HydrophobicContact CE-CB 3.84Å; I1052-Q1081 HydrophobicContact CD1-CG 3.85Å; Q1081-H1083 PolarHBondContact O-N 3.32Å
1082C84.2Confident65Low19 Ų1982.1 Ų82.113%0.12844%0.442CS..  trans-68.9125176.160.50000110H1042 C1080 H1084 V1124H1042-C1082 VanDerWaalsContact CE1-CB 3.45Å; H1042-C1082 WeakPolarHBondContact CE1-CB 3.28Å; H1042-C1082 WeakPolarHBondContact ND1-CB 3.37Å; C1080-C1082 PolarHBondContact O-N 3.47Å; C1080-C1082 VanDerWaalsContact SG-SG 3.62Å; C1082-H1084 PolarHBondContact O-N 3.28Å; C1082-V1124 VanDerWaalsContact SG-CG2 3.55Å
1083H66.6Low61.7Low182 Ų18282.2 Ų82.284%0.84345%0.452SS*.  trans-61.2125.1166.3-73.9-54.3000108Q1081 P1085Q1081-H1083 PolarHBondContact O-N 3.32Å; H1083-P1085 WeakPolarHBondContact O-CD 3.22Å
1084H54.6Low58.6Low107 Ų10785 Ų8550%0.49547%0.471SS..  trans-62.6110.7164.8-94.169.5000107.1C1082 S1122 V1124C1082-H1084 PolarHBondContact O-N 3.28Å; H1084-S1122 PolarHBondContact CE1-O 2.91Å; H1084-S1122 PolarHBondContact ND1-O 3.3Å; H1084-V1124 WeakPolarHBondContact CE1-CG2 3.4Å
1085P43.7Very low55.2Low101 Ų10195.9 Ų95.966%0.65651%0.512SS*.  trans-63.5140.51464.316.5000104.5H1083 S1087H1083-P1085 WeakPolarHBondContact O-CD 3.22Å; P1085-S1087 PolarHBondContact O-N 3.3Å
1086T34.6Very low52.1Low135 Ų135102.5 Ų102.583%0.82854%0.541SS*.  trans-60.172.8164.442.30000109.3H1088T1086-H1088 PolarHBondContact O-N 3.36Å
1087S31.9Very low48.7Very low86 Ų86108.3 Ų108.360%0.60158%0.582SS**  trans-74.590.8156.458.50000104P1085 V1089P1085-S1087 PolarHBondContact O-N 3.3Å; S1087-V1089 VanDerWaalsContact C-N 3.32Å; S1087-V1089 PolarHBondContact O-N 3.02Å
1088H29.1Very low45.7Very low156 Ų156113.6 Ų113.672%0.72262%0.615SS**  trans-27.2110.5137.1-96.5-106.9000107.1T1086 F1090T1086-H1088 PolarHBondContact O-N 3.36Å; H1088-F1090 VanDerWaalsContact C-N 3.33Å; H1088-F1090 PolarHBondContact O-N 3.22Å
1089V33.5Very low42.6Very low111 Ų111120.9 Ų120.967%0.67365%0.654SS**  trans-38.6116.5140.5175.70000103.6S1087 L1091S1087-V1089 VanDerWaalsContact C-N 3.32Å; S1087-V1089 PolarHBondContact O-N 3.02Å; V1089-L1091 PolarHBondContact O-N 3.39Å
1090F26.7Very low39.8Very low197 Ų197123.7 Ų123.786%0.86467%0.672SS**  trans-60.383.1172.1-84.7-92.1000105.6H1088 G1092H1088-F1090 VanDerWaalsContact C-N 3.33Å; H1088-F1090 PolarHBondContact O-N 3.22Å; F1090-G1092 PolarHBondContact O-N 3.21Å
1091L28.8Very low36.7Very low132 Ų132130 Ų13069%0.69171%0.711SS**  trans-55.9100.2144.1-10384.6000102.2V1089 N1093V1089-L1091 PolarHBondContact O-N 3.39Å; L1091-N1093 PolarHBondContact O-N 3.24Å
1092G23.6Very low34.1Very low63 Ų63129.5 Ų129.565%0.64972%0.721SS**  trans-51.998.4159.100000105.8F1090 T1094F1090-G1092 PolarHBondContact O-N 3.21Å; G1092-T1094 PolarHBondContact O-N 3.04Å
1093N22.4Very low31.2Very low139 Ų139136.8 Ų136.874%0.74375%0.754SS**  trans-66.372.5161.6-85.816.9000106.5L1091 R1095L1091-N1093 PolarHBondContact O-N 3.24Å; N1093-R1095 VanDerWaalsContact C-N 3.28Å; N1093-R1095 PolarHBondContact O-N 3.34Å; N1093-R1095 VanDerWaalsContact O-N 3.09Å
1094T27.2Very low29.3Very low113 Ų113138.4 Ų138.469%0.69375%0.753SS**  trans-70.2102.1153-47.20000104.4G1092 H1096G1092-T1094 PolarHBondContact O-N 3.04Å; T1094-H1096 VanDerWaalsContact C-N 3.28Å; T1094-H1096 PolarHBondContact O-N 3.1Å
1095R22.9Very low27.9Very low232 Ų232141.5 Ų141.588%0.87577%0.773SS**  trans-54.790.3175.1-67.7173.1174.1-177.4-3109.5N1093N1093-R1095 VanDerWaalsContact C-N 3.28Å; N1093-R1095 PolarHBondContact O-N 3.34Å; N1093-R1095 VanDerWaalsContact O-N 3.09Å
1096H26.7Very low27.2Very low160 Ų160142.6 Ų142.674%0.74178%0.777SS**  trans-118.189.7154.6-74.9-61.9000107.4T1094 T1098T1094-H1096 VanDerWaalsContact C-N 3.28Å; T1094-H1096 PolarHBondContact O-N 3.1Å; H1096-T1098 PolarHBondContact O-N 3.48Å
1097S22.5Very low26.6Very low123 Ų123140 Ų14086%0.8678%0.777SS**  trans-64.191.7167.5163.80000109
1098T28.6Very low26.2Very low119 Ų119138.5 Ų138.573%0.7378%0.775SS**  trans-152.8114.5156.149.20000108.9H1096 P1100H1096-T1098 PolarHBondContact O-N 3.48Å; T1098-P1100 WeakPolarHBondContact O-CD 3.16Å
1099N24Very low25.9Very low163 Ų163139.4 Ų139.487%0.87279%0.785SS**  trans-44119.9175.1-75.9-33.1000112.9
1100P29.5Very low25.5Very low123 Ų123140.2 Ų140.280%0.79979%0.791SS**  trans-95.5106.4165.932-21.5000109T1098 S1102T1098-P1100 WeakPolarHBondContact O-CD 3.16Å; P1100-S1102 PolarHBondContact O-N 2.83Å
1101T27Very low25.4Very low140 Ų140135.6 Ų135.686%0.85978%0.783SS**  trans-71.2109.5163.2470000108.3
1102S27.4Very low25.1Very low118 Ų118136.3 Ų136.383%0.82579%0.793SS**  trans-73123175.453.40000111.3P1100P1100-S1102 PolarHBondContact O-N 2.83Å
1103E23.7Very low25.1Very low173 Ų173141.5 Ų141.581%0.80880%0.803SS**  trans-150.453.7170.4-154-177.9-157.900112.3
1104W27.3Very low25.1Very low216 Ų216144.3 Ų144.382%0.81881%0.808SS**  trans-146.174.8166-71.177.1000110.6V1106W1104-V1106 HydrophobicContact CE3-CG2 4.47Å
1105D24.8Very low24.8Very low172 Ų172145.1 Ų145.192%0.9282%0.818SS**  trans-84104.1152.7-89.7-30.7000107.5
1106V28.3Very low24.9Very low123 Ų123137.5 Ų137.575%0.74580%0.801SS**  trans-77.5121.7169.7177.50000107.6W1104 G1108W1104-V1106 HydrophobicContact CE3-CG2 4.47Å; V1106-G1108 PolarHBondContact O-N 3.47Å; V1106-G1108 VanDerWaalsContact O-N 3.14Å
1107G21.8Very low24.8Very low80 Ų80137.4 Ų137.483%0.82581%0.806SS**  trans-47.5112.7-172.900000114.8
1108G24.9Very low25.1Very low55 Ų55141.1 Ų141.157%0.56780%0.802SS**  trans-129.1110.6157.300000107.3V1106 T1110V1106-G1108 PolarHBondContact O-N 3.47Å; V1106-G1108 VanDerWaalsContact O-N 3.14Å; G1108-T1110 VanDerWaalsContact C-N 3.32Å; G1108-T1110 PolarHBondContact O-N 2.91Å; G1108-T1110 PolarHBondContact O-OG1 2.84Å; G1108-T1110 VanDerWaalsContact O-OG1 3.14Å
1109N22.2Very low25.2Very low175 Ų175142 Ų14294%0.93681%0.807SS**  trans-51.893.7175.4-72.30.4000110.2
1110T26.2Very low25.7Very low128 Ų128142.5 Ų142.579%0.78580%0.802SS**  trans-123.3108.3166.420.70000106.7G1108 T1112G1108-T1110 VanDerWaalsContact C-N 3.32Å; G1108-T1110 PolarHBondContact O-N 2.91Å; G1108-T1110 PolarHBondContact O-OG1 2.84Å; G1108-T1110 VanDerWaalsContact O-OG1 3.14Å; T1110-T1112 PolarHBondContact O-N 3.32Å
1111S24.3Very low26.3Very low101 Ų101143.5 Ų143.571%0.70680%0.801SS**  trans-31.2126172.347.80000113.1M1113S1111-M1113 VanDerWaalsContact C-N 3.32Å; S1111-M1113 PolarHBondContact O-N 3.36Å
1112T22.4Very low27.9Very low146 Ų146141.3 Ų141.390%0.89679%0.791SS**  trans-50.581.8168.239.20000112.8T1110T1110-T1112 PolarHBondContact O-N 3.32Å
1113M23.4Very low30.2Very low173 Ų173139 Ų13985%0.85277%0.772SS**  trans-93.8100.2162.7-71.5-150.88100109.5S1111 S1115S1111-M1113 VanDerWaalsContact C-N 3.32Å; S1111-M1113 PolarHBondContact O-N 3.36Å; M1113-S1115 PolarHBondContact O-N 2.92Å
1114K22.3Very low33.1Very low198 Ų198131.6 Ų131.686%0.86174%0.738SS**  trans-20.7118.2170.2-65.2172.9178177.70114.2S1116K1114-S1116 PolarHBondContact O-N 3.4Å
1115S21.6Very low36Very low129 Ų129122.4 Ų122.490%0.90271%0.705SS**  trans-48.2101166.5-58.60000111.9M1113M1113-S1115 PolarHBondContact O-N 2.92Å
1116S24Very low39.2Very low73 Ų73114.2 Ų114.251%0.5166%0.661SS.*  trans-110.6100.7166.864.60000109.2K1114 Y1118K1114-S1116 PolarHBondContact O-N 3.4Å; S1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; S1116-Y1118 PolarHBondContact O-N 2.82Å
1117N23.9Very low42.3Very low158 Ų158109 Ų10985%0.84563%0.629SS**  trans14.563.7149.4-63.5-23.5000117.9T1119N1117-T1119 VanDerWaalsContact C-N 3.32Å; N1117-T1119 PolarHBondContact O-N 2.88Å; N1117-T1119 VanDerWaalsContact O-N 3.13Å
1118Y28.9Very low45.8Very low200 Ų200105.2 Ų105.278%0.78459%0.59SS**  trans-87.369.7175.9-90-80.8000110.8S1116S1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; S1116-Y1118 PolarHBondContact O-N 2.82Å
1119T30.7Very low49.2Very low137 Ų137103.2 Ų103.284%0.8457%0.567SS**  trans-100.914156.948.50000111.5N1117 N1121N1117-T1119 VanDerWaalsContact C-N 3.32Å; N1117-T1119 PolarHBondContact O-N 2.88Å; N1117-T1119 VanDerWaalsContact O-N 3.13Å; T1119-N1121 PolarHBondContact O-N 2.89Å
1120K34.6Very low52.8Low175 Ų17594.9 Ų94.976%0.76152%0.522SS*.SBendtrans-68.499.7175.7-84.6-177.7175.5176.40110.3S1122K1120-S1122 PolarHBondContact O-N 2.7Å; K1120-S1122 VanDerWaalsContact O-N 3.12Å
1121N43.5Very low56.2Low144 Ų14488.8 Ų88.877%0.7749%0.485SS*.  trans2578.5150-66-9.8000114.2T1119 T1123T1119-N1121 PolarHBondContact O-N 2.89Å; N1121-T1123 PolarHBondContact O-N 3.13Å; N1121-T1123 PolarHBondContact O-OG1 3.12Å
1122S59Low59.7Low93 Ų9384 Ų8465%0.6545%0.451SS*.  trans-54.8112.5166.2-175.90000106.9H1084 K1120H1084-S1122 PolarHBondContact CE1-O 2.91Å; H1084-S1122 PolarHBondContact ND1-O 3.3Å; K1120-S1122 PolarHBondContact O-N 2.7Å; K1120-S1122 VanDerWaalsContact O-N 3.12Å
1123T75.6Confident63.2Low71 Ų7177.2 Ų77.244%0.43641%0.409SS..PPolyproline II helixtrans-82.5122.4-178.8-61.10000107P1079 N1121 M1125P1079-T1123 HydrophobicContact CB-CG2 3.49Å; P1079-T1123 VanDerWaalsContact CB-CG2 3.49Å; N1121-T1123 PolarHBondContact O-N 3.13Å; N1121-T1123 PolarHBondContact O-OG1 3.12Å; T1123-M1125 PolarHBondContact O-N 2.79Å
1124V84.7Confident66.6Low16 Ų1669 Ų6910%0.09737%0.369CS..PPolyproline II helixtrans-65.2124177.3-172.90000108.4C1038 C1080 C1082 H1084C1038-V1124 HydrophobicContact CB-CG1 3.82Å; C1080-V1124 HydrophobicContact CB-CB 4.32Å; C1080-V1124 WeakPolarHBondContact CB-O 3.25Å; C1080-V1124 PolarHBondContact N-O 2.96Å; C1082-V1124 VanDerWaalsContact SG-CG2 3.55Å; H1084-V1124 WeakPolarHBondContact CE1-CG2 3.4Å
1125M88.5Confident70.1Confident23 Ų2359.5 Ų59.511%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-86.6128.2176.1-61.8-59.3-67.300110.8F1077 P1079 T1123 C1252F1077-M1125 HydrophobicContact CB-CE 3.97Å; P1079-M1125 HydrophobicContact CB-SD 4.43Å; T1123-M1125 PolarHBondContact O-N 2.79Å; M1125-C1252 HydrophobicContact CE-CB 4.35Å; M1125-C1252 VanDerWaalsContact CE-SG 3.54Å
1126A92.2Very high73.5Confident0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-88.5143.5166.300000110.3M1036 E1037 C1038 F1044 F1077 M1078 C1080M1036-A1126 HydrophobicContact CB-CB 3.87Å; M1036-A1126 WeakPolarHBondContact CE-O 3.5Å; E1037-A1126 CarbonylContact O-C 3.58Å; E1037-A1126 WeakPolarHBondContact O-CA 3.35Å; C1038-A1126 HydrophobicContact CB-CB 3.98Å; F1044-A1126 HydrophobicContact CE1-CB 3.9Å; F1044-A1126 HydrophobicContact CZ-CB 3.68Å; F1077-A1126 CarbonylContact C-O 3.57Å; F1077-A1126 VanDerWaalsContact CA-O 3.32Å; F1077-A1126 WeakPolarHBondContact CA-O 3.4Å; M1078-A1126 PolarHBondContact N-O 2.98Å; M1078-A1126 PolarHBondContact O-N 2.91Å; C1080-A1126 HydrophobicContact CB-CB 4.17Å
1127Q94.1Very high76.6Confident15 Ų1555.2 Ų55.27%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-111.6142.1178.5-177.8173.1-8.700110.4M1036 E1037 I1076 F1077 S1129 L1234M1036-Q1127 CarbonylContact C-O 3.59Å; M1036-Q1127 WeakPolarHBondContact CA-O 3.44Å; E1037-Q1127 PolarHBondContact N-O 3.29Å; E1037-Q1127 PolarHBondContact O-N 3.34Å; I1076-Q1127 HydrophobicContact CG2-CG 4.03Å; I1076-Q1127 CarbonylContact O-C 3.59Å; I1076-Q1127 VanDerWaalsContact O-CA 3.26Å; I1076-Q1127 WeakPolarHBondContact O-CA 3.06Å; F1077-Q1127 HydrophobicContact CD1-CB 3.82Å; F1077-Q1127 HydrophobicContact CD1-CG 3.99Å; F1077-Q1127 HydrophobicContact CE1-CB 3.67Å; F1077-Q1127 VanDerWaalsContact CE1-CD 3.48Å; F1077-Q1127 HydrophobicContact CE1-CG 3.51Å; F1077-Q1127 HydrophobicContact CZ-CG 4.12Å; Q1127-S1129 PolarHBondContact O-N 3Å; Q1127-L1234 PolarHBondContact NE2-O 3.3Å
1128L95.9Very high79.5Confident0 Ų048.5 Ų48.50%027%0.27CS..EExtended strand (participates in β ladder)trans-64.4103.8171.1-175.766.4000108.9F1034 M1036 I1076 L1232 L1257F1034-L1128 HydrophobicContact CB-CD1 3.82Å; F1034-L1128 HydrophobicContact CD1-CD1 4.26Å; M1036-L1128 HydrophobicContact CE-CB 4.24Å; M1036-L1128 WeakPolarHBondContact SD-CA 3.39Å; M1036-L1128 HydrophobicContact SD-CB 3.62Å; M1036-L1128 HydrophobicContact SD-CD1 3.75Å; M1036-L1128 HydrophobicContact SD-CG 4.28Å; M1036-L1128 PolarHBondContact SD-N 3.33Å; I1076-L1128 HydrophobicContact CD1-CB 4.47Å; I1076-L1128 HydrophobicContact CD1-CD2 4.17Å; I1076-L1128 PolarHBondContact O-N 3.41Å; L1128-L1232 HydrophobicContact CD2-CD2 3.87Å; L1128-L1232 HydrophobicContact CG-CD2 3.92Å; L1128-L1257 HydrophobicContact CD2-CB 4.18Å; L1128-L1257 HydrophobicContact CD2-CD2 3.82Å
1129S95.8Very high82.2Confident12 Ų1244.2 Ų44.28%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-106-34.7-170.360.30000111.8E1035 E1037 Q1127 R1231 L1232E1035-S1129 PolarHBondContact O-N 3.13Å; E1035-S1129 PolarHBondContact O-OG 2.96Å; E1035-S1129 PolarHBondContact OE1-OG 2.81Å; E1037-S1129 WeakPolarHBondContact CB-OG 3.4Å; Q1127-S1129 PolarHBondContact O-N 3Å; S1129-R1231 WeakPolarHBondContact O-CA 3.47Å; S1129-L1232 PolarHBondContact O-N 3.38Å
1130R97Very high84.7Confident0 Ų038.5 Ų38.50%023%0.23CC..EExtended strand (participates in β ladder)trans-144151.3-174.6-63.3172.3-163.469.516.9113.5S679 C680 E1035 E1037 Y1132 V1229 I1230 R1231S679-R1130 VanDerWaalsContact C-NH2 3.32Å; S679-R1130 PolarHBondContact O-NH2 3.28Å; C680-R1130 PolarHBondContact O-NE 3.25Å; C680-R1130 VanDerWaalsContact O-NE 3.08Å; C680-R1130 PolarHBondContact O-NH2 3.01Å; E1035-R1130 HydrophobicContact CB-CB 4.1Å; E1035-R1130 WeakPolarHBondContact CB-O 3.49Å; E1035-R1130 PolarHBondContact N-O 2.95Å; E1035-R1130 PolarHBondContact O-N 3.24Å; E1035-R1130 IonicContact OE1-CZ 3.72Å; E1035-R1130 IonicContact OE1-NH1 3.57Å; E1035-R1130 PolarHBondContact OE1-NH1 2.67Å; E1037-R1130 IonicContact OE2-CZ 3.61Å; E1037-R1130 IonicContact OE2-NH1 2.72Å; E1037-R1130 PolarHBondContact OE2-NH1 3.26Å; E1037-R1130 IonicContact OE2-NH2 3.52Å; E1037-R1130 PolarHBondContact OE2-NH2 3.25Å; E1037-R1130 VanDerWaalsContact OE2-NH2 3.13Å; R1130-Y1132 HydrophobicContact CB-CD2 4.32Å; R1130-Y1132 HydrophobicContact CB-CE2 3.68Å; R1130-V1229 HydrophobicContact CB-CG2 4.15Å; R1130-V1229 HydrophobicContact CG-CG2 4.29Å; R1130-I1230 CarbonylContact C-O 3.57Å; R1130-I1230 WeakPolarHBondContact CA-O 3.35Å; R1130-R1231 HydrophobicContact CG-CB 4.41Å; R1130-R1231 HydrophobicContact CG-CG 4.44Å
1131I97.6Very high87.2Confident0 Ų034 Ų340%021%0.212CC..EExtended strand (participates in β ladder)trans-122.9130.9172.4-58.2173.7000108.3G1033 F1034 F1144 V1229 I1230 L1232 L1257 I1262G1033-I1131 WeakPolarHBondContact O-CA 3.25Å; F1034-I1131 HydrophobicContact CD1-CD1 3.94Å; F1034-I1131 HydrophobicContact CD1-CG1 3.75Å; F1034-I1131 HydrophobicContact CD1-CG2 4.35Å; F1034-I1131 HydrophobicContact CE1-CD1 3.74Å; F1034-I1131 HydrophobicContact CE1-CG1 4Å; F1034-I1131 HydrophobicContact CE1-CG2 4.2Å; I1131-F1144 HydrophobicContact CD1-CE2 3.83Å; I1131-F1144 HydrophobicContact CD1-CZ 4.06Å; I1131-V1229 CarbonylContact O-C 3.54Å; I1131-V1229 WeakPolarHBondContact O-CA 3.48Å; I1131-I1230 HydrophobicContact CB-CB 4.42Å; I1131-I1230 HydrophobicContact CB-CD1 4.43Å; I1131-I1230 PolarHBondContact N-O 3.19Å; I1131-I1230 PolarHBondContact O-N 2.86Å; I1131-L1232 HydrophobicContact CD1-CD1 3.99Å; I1131-L1232 HydrophobicContact CG1-CD1 4.01Å; I1131-L1257 HydrophobicContact CD1-CD2 3.99Å; I1131-I1262 HydrophobicContact CG2-CD1 4.15Å
1132Y97.2Very high89.6Confident0 Ų027.1 Ų27.10%018%0.175CC..EExtended strand (participates in β ladder)trans-112.5133.3-179.1-72.5-102.7000110.6L961 L973 L985 I1032 G1033 E1035 R1043 F1045 R1130 W1228 V1229L961-Y1132 HydrophobicContact CD1-CD1 4.15Å; L961-Y1132 HydrophobicContact CD1-CE1 3.66Å; L973-Y1132 HydrophobicContact CD1-CD1 3.68Å; L973-Y1132 HydrophobicContact CD1-CE1 3.97Å; L973-Y1132 HydrophobicContact CD1-CG 4Å; L985-Y1132 HydrophobicContact CD2-CG 4.45Å; I1032-Y1132 WeakPolarHBondContact CA-O 3.22Å; G1033-Y1132 PolarHBondContact N-O 3.46Å; G1033-Y1132 PolarHBondContact O-N 3.27Å; E1035-Y1132 HydrophobicContact CB-CD2 4.47Å; E1035-Y1132 HydrophobicContact CB-CE2 4.19Å; E1035-Y1132 WeakPolarHBondContact OE2-CE2 3.09Å; E1035-Y1132 PolarHBondContact OE2-OH 3Å; R1043-Y1132 PolarHBondContact NH2-OH 3.41Å; F1045-Y1132 AromaticContact CE1-CD2 3.68Å; F1045-Y1132 HydrophobicContact CE1-CD2 3.68Å; F1045-Y1132 HydrophobicContact CE1-CE2 4.26Å; F1045-Y1132 HydrophobicContact CE1-CG 4.3Å; F1045-Y1132 AromaticContact CZ-CD2 3.84Å; F1045-Y1132 HydrophobicContact CZ-CD2 3.84Å; F1045-Y1132 HydrophobicContact CZ-CE2 4.23Å; F1045-Y1132 HydrophobicContact CZ-CG 4.22Å; R1130-Y1132 HydrophobicContact CB-CD2 4.32Å; R1130-Y1132 HydrophobicContact CB-CE2 3.68Å; Y1132-W1228 WeakPolarHBondContact CA-O 3.43Å; Y1132-V1229 HydrophobicContact CD1-CB 4.05Å; Y1132-V1229 HydrophobicContact CD1-CG2 4.13Å; Y1132-V1229 HydrophobicContact CD2-CG2 4.27Å; Y1132-V1229 HydrophobicContact CE1-CB 3.82Å; Y1132-V1229 HydrophobicContact CE1-CG2 3.65Å; Y1132-V1229 HydrophobicContact CE2-CG2 3.77Å; Y1132-V1229 HydrophobicContact CG-CG2 4.42Å; Y1132-V1229 VanDerWaalsContact CZ-CG2 3.44Å
1133L96.6Very high91.2Very high4 Ų424.6 Ų24.62%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-134.6109.2177.6-73.3170.2000110F1031 I1032 I1135 V1142 L1222 W1228 I1230 I1262F1031-L1133 CarbonylContact O-C 3.41Å; F1031-L1133 WeakPolarHBondContact O-CA 3.41Å; I1032-L1133 HydrophobicContact CB-CD2 4Å; I1032-L1133 HydrophobicContact CD1-CD2 3.97Å; I1032-L1133 HydrophobicContact CG1-CD2 3.78Å; L1133-I1135 HydrophobicContact CB-CG1 4.34Å; L1133-V1142 HydrophobicContact CD1-CG1 4.29Å; L1133-L1222 HydrophobicContact CD1-CD1 3.59Å; L1133-W1228 HydrophobicContact CB-CB 4.38Å; L1133-W1228 PolarHBondContact N-O 2.75Å; L1133-W1228 PolarHBondContact O-N 2.99Å; L1133-I1230 HydrophobicContact CD1-CD1 4.35Å; L1133-I1262 HydrophobicContact CD1-CD1 4.14Å; L1133-I1262 HydrophobicContact CD1-CG1 4.32Å; L1133-I1262 HydrophobicContact CD1-CG2 4.47Å; L1133-I1262 HydrophobicContact CD2-CD1 4.21Å
1134A95.5Very high92.1Very high0 Ų021.2 Ų21.20%013%0.131CC..EExtended strand (participates in β ladder)trans-90111.416700000108.2Y964 L985 L1030 F1031 L1227Y964-A1134 HydrophobicContact CD2-CB 3.58Å; Y964-A1134 HydrophobicContact CE2-CB 3.68Å; Y964-A1134 VanDerWaalsContact CE2-O 3.28Å; Y964-A1134 WeakPolarHBondContact CE2-O 3.38Å; L985-A1134 HydrophobicContact CD1-CB 4.49Å; L1030-A1134 WeakPolarHBondContact CA-O 3.24Å; L1030-A1134 WeakPolarHBondContact CB-O 3.49Å; F1031-A1134 HydrophobicContact CB-CB 3.93Å; F1031-A1134 PolarHBondContact N-O 2.91Å; F1031-A1134 PolarHBondContact O-N 3.36Å; A1134-L1227 HydrophobicContact CB-CD1 3.82Å
1135I95.2Very high92.6Very high0 Ų021.8 Ų21.80%013%0.132CC..  trans-107.9117.7-179.5-52.5174.7000108.9Y964 L1133 I1140 V1142 L1222 N1224 G1225 Y1226Y964-I1135 WeakPolarHBondContact CD2-O 3.36Å; L1133-I1135 HydrophobicContact CB-CG1 4.34Å; I1135-I1140 HydrophobicContact CG2-CD1 3.78Å; I1135-I1140 HydrophobicContact CG2-CG1 4.24Å; I1135-V1142 HydrophobicContact CD1-CB 3.76Å; I1135-V1142 HydrophobicContact CD1-CG1 4.31Å; I1135-V1142 HydrophobicContact CD1-CG2 3.75Å; I1135-V1142 HydrophobicContact CG1-CG2 4.17Å; I1135-V1142 HydrophobicContact CG2-CG2 4.24Å; I1135-L1222 HydrophobicContact CD1-CB 3.61Å; I1135-L1222 HydrophobicContact CD1-CD1 4.11Å; I1135-N1224 HydrophobicContact CG2-CB 4.3Å; I1135-N1224 WeakPolarHBondContact CG2-OD1 3.45Å; I1135-G1225 CarbonylContact O-C 3.59Å; I1135-G1225 WeakPolarHBondContact O-CA 3.36Å; I1135-G1225 PolarHBondContact O-N 3.19Å; I1135-Y1226 PolarHBondContact N-O 2.92Å; I1135-Y1226 PolarHBondContact O-N 3.2Å
1136P93.2Very high92.9Very high17 Ų1720.7 Ų20.711%0.1113%0.127CC..  trans-69162.9179.130.6-36.1000110.9Y964 V1028 K1029 A1138 I1140 N1224 G1225Y964-P1136 HydrophobicContact CD1-CB 4.28Å; Y964-P1136 HydrophobicContact CD2-CB 4.13Å; Y964-P1136 HydrophobicContact CE1-CB 4.15Å; Y964-P1136 HydrophobicContact CE2-CB 3.95Å; Y964-P1136 HydrophobicContact CE2-CG 4.26Å; Y964-P1136 HydrophobicContact CG-CB 4.24Å; V1028-P1136 HydrophobicContact CG1-CG 3.33Å; K1029-P1136 WeakPolarHBondContact O-CG 3.42Å; P1136-A1138 HydrophobicContact CG-CB 4.17Å; P1136-A1138 PolarHBondContact O-N 3.33Å; P1136-I1140 HydrophobicContact CG-CD1 4.36Å; P1136-N1224 WeakPolarHBondContact O-CB 3.42Å; P1136-G1225 PolarHBondContact O-N 3.28Å
1137A88.4Confident93.1Very high95 Ų9520.9 Ų20.979%0.78513%0.128SC*.SBendtrans-74.97417200000110
1138A85.8Confident93.1Very high17 Ų1720.2 Ų20.214%0.1413%0.125CC..SBendtrans-129.9161.2-178.400000109.7V1028 P1136 I1140 N1224V1028-A1138 HydrophobicContact CB-CB 4.32Å; V1028-A1138 HydrophobicContact CG1-CB 3.57Å; V1028-A1138 HydrophobicContact CG2-CB 3.75Å; P1136-A1138 HydrophobicContact CG-CB 4.17Å; P1136-A1138 PolarHBondContact O-N 3.33Å; A1138-I1140 HydrophobicContact CB-CG1 4.27Å; A1138-I1140 PolarHBondContact O-N 3.02Å; A1138-N1224 PolarHBondContact O-ND2 3.48Å
1139P84Confident92.9Very high110 Ų11021.4 Ų21.471%0.71413%0.129SC*.SBendtrans-77.864.8-179.333.5-36.4000111.2L992L992-P1139 HydrophobicContact CD1-CG 4.22Å; L992-P1139 HydrophobicContact CD2-CG 4.27Å
1140I84.8Confident92.4Very high16 Ų1621.1 Ų21.18%0.08213%0.127CC..  trans-125.8152.5176.252.3169.2000108.8L992 V1028 L1030 I1135 P1136 A1138 N1224L992-I1140 HydrophobicContact CD2-CG2 3.55Å; V1028-I1140 HydrophobicContact CG1-CD1 4.05Å; L1030-I1140 HydrophobicContact CD2-CD1 3.32Å; L1030-I1140 HydrophobicContact CG-CD1 4.26Å; I1135-I1140 HydrophobicContact CG2-CD1 3.78Å; I1135-I1140 HydrophobicContact CG2-CG1 4.24Å; P1136-I1140 HydrophobicContact CG-CD1 4.36Å; A1138-I1140 HydrophobicContact CB-CG1 4.27Å; A1138-I1140 PolarHBondContact O-N 3.02Å; I1140-N1224 PolarHBondContact O-ND2 3.47Å; I1140-N1224 PolarHBondContact O-OD1 3.33Å
1141Q87Confident91.7Very high81 Ų8121.4 Ų21.438%0.37913%0.13SC..EExtended strand (participates in β ladder)trans-125.8124.1173.6-170.9173.3-4.100108.7T1221 L1264 V1265Q1141-T1221 HydrophobicContact CG-CG2 3.43Å; Q1141-T1221 VanDerWaalsContact CG-CG2 3.43Å; Q1141-T1221 PolarHBondContact NE2-OG1 2.79Å; Q1141-L1264 WeakPolarHBondContact O-CA 3.48Å; Q1141-V1265 HydrophobicContact CB-CB 4.15Å; Q1141-V1265 HydrophobicContact CG-CB 4.23Å; Q1141-V1265 PolarHBondContact O-N 3.4Å
1142V92.7Very high90.7Very high0 Ų024.1 Ų24.10%015%0.148CC..EExtended strand (participates in β ladder)trans-107.5120-179.5-175.90000108.5L1030 L1133 I1135 L1222 I1262 L1264L1030-V1142 HydrophobicContact CD2-CG2 4.02Å; L1133-V1142 HydrophobicContact CD1-CG1 4.29Å; I1135-V1142 HydrophobicContact CD1-CB 3.76Å; I1135-V1142 HydrophobicContact CD1-CG1 4.31Å; I1135-V1142 HydrophobicContact CD1-CG2 3.75Å; I1135-V1142 HydrophobicContact CG1-CG2 4.17Å; I1135-V1142 HydrophobicContact CG2-CG2 4.24Å; V1142-L1222 PolarHBondContact O-N 2.84Å; V1142-I1262 HydrophobicContact CG1-CG2 3.8Å; V1142-L1264 HydrophobicContact CG2-CD2 4.12Å
1143R93.5Very high89.4Confident40 Ų4026.1 Ų26.115%0.15116%0.164CC..EExtended strand (participates in β ladder)trans-102.2132.8174.3179.4174.864.9157.8-2.6110.1Y1219 V1220 I1262 K1263 V1265R1143-Y1219 VanDerWaalsContact CD-CD2 3.42Å; R1143-Y1219 HydrophobicContact CG-CD2 3.85Å; R1143-Y1219 HydrophobicContact CG-CG 4.09Å; R1143-V1220 CarbonylContact C-O 3.6Å; R1143-V1220 WeakPolarHBondContact CA-O 3.41Å; R1143-I1262 WeakPolarHBondContact O-CA 3.47Å; R1143-K1263 PolarHBondContact N-O 2.79Å; R1143-K1263 VanDerWaalsContact NH2-CD 3.32Å; R1143-K1263 PolarHBondContact O-N 2.65Å; R1143-V1265 HydrophobicContact CB-CG2 3.51Å; R1143-V1265 HydrophobicContact CG-CG2 4.47Å
1144F94.8Very high88.3Confident0 Ų033.6 Ų33.60%020%0.197CC..EExtended strand (participates in β ladder)trans-113.2123176-179.8-109.2000110.7I958 I1131 P1146 L1161 Y1219 V1220 L1222 I1230 C1261 I1262I958-F1144 HydrophobicContact CD1-CD1 4.42Å; I1131-F1144 HydrophobicContact CD1-CE2 3.83Å; I1131-F1144 HydrophobicContact CD1-CZ 4.06Å; F1144-P1146 HydrophobicContact CD1-CG 4.21Å; F1144-P1146 HydrophobicContact CE1-CB 3.91Å; F1144-P1146 HydrophobicContact CE1-CG 3.4Å; F1144-P1146 VanDerWaalsContact CE1-CG 3.4Å; F1144-P1146 HydrophobicContact CE2-CB 4.21Å; F1144-P1146 HydrophobicContact CZ-CB 3.54Å; F1144-P1146 HydrophobicContact CZ-CG 3.61Å; F1144-L1161 HydrophobicContact CD1-CD1 4.26Å; F1144-L1161 HydrophobicContact CE1-CD1 4.45Å; F1144-Y1219 CarbonylContact O-C 3.59Å; F1144-Y1219 WeakPolarHBondContact O-CA 3.39Å; F1144-Y1219 WeakPolarHBondContact O-CB 3.44Å; F1144-V1220 HydrophobicContact CB-CG2 4.09Å; F1144-V1220 HydrophobicContact CD1-CG2 4.23Å; F1144-V1220 PolarHBondContact N-O 2.97Å; F1144-V1220 PolarHBondContact O-N 3.36Å; F1144-L1222 HydrophobicContact CB-CD1 4.42Å; F1144-I1230 HydrophobicContact CD1-CG1 4.1Å; F1144-I1230 HydrophobicContact CD1-CG2 4.4Å; F1144-I1230 HydrophobicContact CE1-CB 4.21Å; F1144-I1230 HydrophobicContact CE1-CG1 3.96Å; F1144-I1230 HydrophobicContact CE1-CG2 3.5Å; F1144-I1230 HydrophobicContact CZ-CB 4.27Å; F1144-I1230 HydrophobicContact CZ-CG1 4.27Å; F1144-I1230 HydrophobicContact CZ-CG2 3.73Å; F1144-C1261 CarbonylContact C-O 3.59Å; F1144-C1261 WeakPolarHBondContact CA-O 3.25Å; F1144-C1261 WeakPolarHBondContact CD2-O 3.28Å; F1144-I1262 HydrophobicContact CD2-CG1 3.8Å; F1144-I1262 HydrophobicContact CE2-CG1 4.31Å
1145Q94.9Very high87.3Confident28 Ų2840.5 Ų40.513%0.13123%0.233CC..  trans-142.177.6-175.3-171.1175.613.800109.4P1217 C1261Q1145-P1217 HydrophobicContact CG-CB 4.34Å; Q1145-P1217 PolarHBondContact NE2-O 3.05Å; Q1145-C1261 PolarHBondContact N-O 3.12Å; Q1145-C1261 WeakPolarHBondContact O-CA 3.38Å
1146P94.9Very high86.8Confident0 Ų041.4 Ų41.40%024%0.238CC..  trans-71.8138.5-175.231.3-34.3000111.3W956 F1144 H1160 L1161 L1257W956-P1146 HydrophobicContact CE3-CG 4.3Å; W956-P1146 HydrophobicContact CH2-CB 3.83Å; W956-P1146 HydrophobicContact CH2-CG 3.93Å; W956-P1146 HydrophobicContact CZ3-CB 3.81Å; W956-P1146 HydrophobicContact CZ3-CG 3.74Å; F1144-P1146 HydrophobicContact CD1-CG 4.21Å; F1144-P1146 HydrophobicContact CE1-CB 3.91Å; F1144-P1146 HydrophobicContact CE1-CG 3.4Å; F1144-P1146 VanDerWaalsContact CE1-CG 3.4Å; F1144-P1146 HydrophobicContact CE2-CB 4.21Å; F1144-P1146 HydrophobicContact CZ-CB 3.54Å; F1144-P1146 HydrophobicContact CZ-CG 3.61Å; P1146-H1160 WeakPolarHBondContact O-CA 3.32Å; P1146-H1160 WeakPolarHBondContact O-CB 3.45Å; P1146-L1161 HydrophobicContact CG-CD1 4.04Å; P1146-L1161 HydrophobicContact CG-CD2 3.79Å; P1146-L1161 HydrophobicContact CG-CG 3.56Å; P1146-L1257 HydrophobicContact CB-CD1 4.33Å
1147C95.2Very high86.7Confident4 Ų440.8 Ų40.83%0.02724%0.235CC..  trans-134.1113.2175-72.80000108.6I1158 F1159 L1258 C1261C1147-I1158 HydrophobicContact CB-CG2 3.53Å; C1147-F1159 CarbonylContact C-O 3.59Å; C1147-F1159 WeakPolarHBondContact CA-O 3.49Å; C1147-L1258 HydrophobicContact CB-CB 4.1Å; C1147-L1258 HydrophobicContact CB-CD1 3.99Å; C1147-L1258 HydrophobicContact CB-CG 4.23Å; C1147-L1258 WeakPolarHBondContact O-CG 3.39Å; C1147-L1258 PolarHBondContact O-N 2.91Å; C1147-C1261 PolarHBondContact N-SG 3.09Å
1148I94.8Very high87Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-110.6127.8-179.3-65.2178000109.1W956 I1076 I1158 F1159 L1232 Y1236 K1256 L1257W956-I1148 HydrophobicContact CH2-CD1 3.54Å; W956-I1148 HydrophobicContact CH2-CG1 4.19Å; W956-I1148 HydrophobicContact CZ2-CD1 4.23Å; W956-I1148 HydrophobicContact CZ3-CD1 4.41Å; I1076-I1148 HydrophobicContact CD1-CD1 4.02Å; I1076-I1148 HydrophobicContact CD1-CG1 4.14Å; I1076-I1148 HydrophobicContact CD1-CG2 4.06Å; I1076-I1148 HydrophobicContact CG1-CG2 4.17Å; I1148-I1158 CarbonylContact O-C 3.48Å; I1148-I1158 WeakPolarHBondContact O-CA 3.4Å; I1148-F1159 HydrophobicContact CB-CB 4.31Å; I1148-F1159 PolarHBondContact N-O 2.85Å; I1148-F1159 PolarHBondContact O-N 2.94Å; I1148-L1232 HydrophobicContact CD1-CD2 3.72Å; I1148-L1232 HydrophobicContact CD1-CG 4.19Å; I1148-Y1236 HydrophobicContact CB-CE1 4.2Å; I1148-Y1236 HydrophobicContact CD1-CE1 3.69Å; I1148-Y1236 WeakPolarHBondContact CD1-OH 3.24Å; I1148-Y1236 HydrophobicContact CG2-CD1 4.37Å; I1148-Y1236 HydrophobicContact CG2-CE1 3.94Å; I1148-K1256 WeakPolarHBondContact CA-O 3.01Å; I1148-L1257 HydrophobicContact CD1-CD1 4.32Å; I1148-L1257 HydrophobicContact CG1-CD1 3.64Å
1149R91.9Very high87.4Confident25 Ų2536.3 Ų36.39%0.09420%0.195CC..EExtended strand (participates in β ladder)trans-113.7115.7173.8-172.9177.6-73.3151.5-4.2110.3G1151 A1153 T1156 Y1185 K1256 L1258R1149-G1151 VanDerWaalsContact C-N 3.34Å; R1149-G1151 VanDerWaalsContact CD-O 3.27Å; R1149-G1151 WeakPolarHBondContact CD-O 3.41Å; R1149-G1151 WeakPolarHBondContact CG-O 3.36Å; R1149-G1151 PolarHBondContact O-N 2.77Å; R1149-A1153 VanDerWaalsContact NH1-CB 3.3Å; R1149-T1156 VanDerWaalsContact CG-OG1 3.25Å; R1149-T1156 WeakPolarHBondContact CG-OG1 3.43Å; R1149-Y1185 VanDerWaalsContact NH1-CZ 3.31Å; R1149-Y1185 PolarHBondContact NH1-OH 3.4Å; R1149-K1256 PolarHBondContact N-O 3.41Å; R1149-K1256 PolarHBondContact O-N 3.08Å; R1149-L1258 HydrophobicContact CB-CD2 4.14Å
1150P84.6Confident87.8Confident6 Ų631 Ų314%0.03916%0.161CC..EExtended strand (participates in β ladder)trans-9549.5-179.437.5-34.8000112.4P1157 F1159 Y1243 W1255P1150-P1157 WeakPolarHBondContact CD-O 3.47Å; P1150-F1159 HydrophobicContact CG-CD2 3.84Å; P1150-F1159 HydrophobicContact CG-CE2 3.55Å; P1150-Y1243 HydrophobicContact CB-CD1 4.2Å; P1150-Y1243 HydrophobicContact CB-CG 4.16Å; P1150-Y1243 HydrophobicContact CG-CD1 3.71Å; P1150-Y1243 HydrophobicContact CG-CD2 4.29Å; P1150-Y1243 HydrophobicContact CG-CE1 4.31Å; P1150-Y1243 HydrophobicContact CG-CG 3.72Å; P1150-W1255 HydrophobicContact CB-CD2 3.65Å; P1150-W1255 HydrophobicContact CB-CE3 3.48Å; P1150-W1255 VanDerWaalsContact CB-CE3 3.48Å; P1150-W1255 HydrophobicContact CB-CH2 3.33Å; P1150-W1255 HydrophobicContact CB-CZ2 3.48Å; P1150-W1255 VanDerWaalsContact CB-CZ2 3.48Å; P1150-W1255 HydrophobicContact CB-CZ3 3.33Å; P1150-W1255 HydrophobicContact CG-CH2 4.5Å
1151G82.6Confident88Confident6 Ų630.5 Ų30.56%0.06216%0.158CC..SBendtrans151.4-160.7179.400000115.3R1149 T1156R1149-G1151 VanDerWaalsContact C-N 3.34Å; R1149-G1151 VanDerWaalsContact CD-O 3.27Å; R1149-G1151 WeakPolarHBondContact CD-O 3.41Å; R1149-G1151 WeakPolarHBondContact CG-O 3.36Å; R1149-G1151 PolarHBondContact O-N 2.77Å; G1151-T1156 VanDerWaalsContact C-OG1 3.28Å; G1151-T1156 PolarHBondContact O-OG1 2.86Å
1152P78.1Confident87.8Confident58 Ų5826.7 Ų26.738%0.37714%0.14SC..  trans-64.4143-175.5-22.733.6000113.3K1154 L1155 T1156 E1254P1152-K1154 PolarHBondContact O-N 2.75Å; P1152-K1154 VanDerWaalsContact O-N 3.08Å; P1152-L1155 PolarHBondContact O-N 2.96Å; P1152-T1156 PolarHBondContact O-N 3.15Å; P1152-T1156 PolarHBondContact O-OG1 2.91Å; P1152-E1254 WeakPolarHBondContact CD-OE2 3.27Å
1153A69.5Low87Confident41 Ų4127.7 Ų27.734%0.33915%0.145SC..THydrogen-bonded Turntrans-57.2-28.6-170.300000115.8R1149 Y1185R1149-A1153 VanDerWaalsContact NH1-CB 3.3Å; A1153-Y1185 HydrophobicContact CB-CD1 3.95Å; A1153-Y1185 HydrophobicContact CB-CE1 3.78Å
1154K72.7Confident86.2Confident162 Ų16226 Ų2670%0.70414%0.139SC*.THydrogen-bonded Turntrans-97.4-14.9-176-64.1-178.7-178.8173.90114P1152P1152-K1154 PolarHBondContact O-N 2.75Å; P1152-K1154 VanDerWaalsContact O-N 3.08Å
1155L75.7Confident85.2Confident145 Ų14530 Ų3076%0.75916%0.16SC*.THydrogen-bonded Turntrans-117.9-5-170.2-66.7170.9000113.8P1152P1152-L1155 PolarHBondContact O-N 2.96Å
1156T84.6Confident84.3Confident18 Ų1830.8 Ų30.811%0.1117%0.165CC..SBendtrans-126.9134.6-175.357.40000112.2R1149 G1151 P1152 Y1243R1149-T1156 VanDerWaalsContact CG-OG1 3.25Å; R1149-T1156 WeakPolarHBondContact CG-OG1 3.43Å; G1151-T1156 VanDerWaalsContact C-OG1 3.28Å; G1151-T1156 PolarHBondContact O-OG1 2.86Å; P1152-T1156 PolarHBondContact O-N 3.15Å; P1152-T1156 PolarHBondContact O-OG1 2.91Å; T1156-Y1243 HydrophobicContact CG2-CE1 3.98Å
1157P90.7Very high83.4Confident5 Ų531 Ų313%0.03217%0.166CC..PPolyproline II helixtrans-69.9157.5177.430.5-34000110.8N942 P1150 F1159 D1238 Y1243N942-P1157 HydrophobicContact CB-CB 4.13Å; P1150-P1157 WeakPolarHBondContact CD-O 3.47Å; P1157-F1159 HydrophobicContact CG-CE2 3.94Å; P1157-F1159 HydrophobicContact CG-CZ 4.12Å; P1157-D1238 HydrophobicContact CG-CB 4.25Å; P1157-Y1243 WeakPolarHBondContact CD-OH 3.19Å; P1157-Y1243 HydrophobicContact CG-CE2 4.28Å
1158I93.3Very high82.1Confident17 Ų1732.8 Ų32.89%0.08718%0.178CC..PPolyproline II helixtrans-94.8122.7174.1-55.4172.3000107.8N942 T943 C1147 I1148 H1160 L1258N942-I1158 CarbonylContact C-O 3.6Å; N942-I1158 WeakPolarHBondContact CA-O 3.23Å; N942-I1158 WeakPolarHBondContact CB-O 3.29Å; T943-I1158 HydrophobicContact CG2-CB 3.74Å; T943-I1158 HydrophobicContact CG2-CD1 4.42Å; T943-I1158 HydrophobicContact CG2-CG1 4.35Å; T943-I1158 PolarHBondContact N-O 2.69Å; T943-I1158 PolarHBondContact OG1-N 3.41Å; C1147-I1158 HydrophobicContact CB-CG2 3.53Å; I1148-I1158 CarbonylContact O-C 3.48Å; I1148-I1158 WeakPolarHBondContact O-CA 3.4Å; I1158-H1160 PolarHBondContact O-CD2 3.32Å; I1158-H1160 VanDerWaalsContact O-CD2 3.28Å; I1158-L1258 HydrophobicContact CD1-CD1 4.03Å; I1158-L1258 HydrophobicContact CG1-CD1 4.39Å; I1158-L1258 HydrophobicContact CG2-CD1 4.25Å
1159F94.3Very high80.9Confident0 Ų037 Ų370%021%0.206CC..BIsolated β-bridgetrans-86.2134.9175.8-69.2-86.4000111V940 P941 N942 C1147 I1148 P1150 P1157 Y1236 H1237 D1238 Y1243V940-F1159 HydrophobicContact CB-CD1 3.55Å; V940-F1159 HydrophobicContact CB-CE1 3.9Å; V940-F1159 HydrophobicContact CG1-CB 4.32Å; V940-F1159 HydrophobicContact CG1-CD1 3.69Å; V940-F1159 HydrophobicContact CG1-CG 4.42Å; V940-F1159 WeakPolarHBondContact O-CD1 3.49Å; V940-F1159 WeakPolarHBondContact O-CE1 3.35Å; P941-F1159 WeakPolarHBondContact O-CA 3.3Å; N942-F1159 HydrophobicContact CB-CD1 3.69Å; N942-F1159 HydrophobicContact CB-CE1 3.83Å; N942-F1159 HydrophobicContact CB-CG 4.16Å; N942-F1159 HydrophobicContact CB-CZ 4.4Å; C1147-F1159 CarbonylContact C-O 3.59Å; C1147-F1159 WeakPolarHBondContact CA-O 3.49Å; I1148-F1159 HydrophobicContact CB-CB 4.31Å; I1148-F1159 PolarHBondContact N-O 2.85Å; I1148-F1159 PolarHBondContact O-N 2.94Å; P1150-F1159 HydrophobicContact CG-CD2 3.84Å; P1150-F1159 HydrophobicContact CG-CE2 3.55Å; P1157-F1159 HydrophobicContact CG-CE2 3.94Å; P1157-F1159 HydrophobicContact CG-CZ 4.12Å; F1159-Y1236 HydrophobicContact CB-CD1 3.87Å; F1159-Y1236 HydrophobicContact CB-CE1 4.24Å; F1159-Y1236 HydrophobicContact CD1-CD1 4.17Å; F1159-Y1236 HydrophobicContact CD2-CD1 4.08Å; F1159-Y1236 AromaticContact CG-CD1 3.75Å; F1159-Y1236 HydrophobicContact CG-CD1 3.75Å; F1159-H1237 VanDerWaalsContact CE1-O 3.32Å; F1159-H1237 WeakPolarHBondContact CE1-O 3.38Å; F1159-D1238 HydrophobicContact CE1-CB 4.43Å; F1159-D1238 HydrophobicContact CZ-CB 4.17Å; F1159-Y1243 AromaticContact CE2-CD2 3.94Å; F1159-Y1243 HydrophobicContact CE2-CD2 3.94Å; F1159-Y1243 HydrophobicContact CE2-CE2 4.02Å; F1159-Y1243 AromaticContact CZ-CD2 3.78Å; F1159-Y1243 HydrophobicContact CZ-CD2 3.78Å; F1159-Y1243 AromaticContact CZ-CE2 3.75Å; F1159-Y1243 HydrophobicContact CZ-CE2 3.75Å
1160H93.6Very high79.8Confident0 Ų040.1 Ų40.10%023%0.225CC..  trans-145.2-174.5-174.953.784.1000111.4P941 N942 T943 W956 P1146 I1158 G1162 P1217P941-H1160 PolarHBondContact O-N 2.96Å; N942-H1160 WeakPolarHBondContact CA-NE2 3.43Å; N942-H1160 PolarHBondContact O-NE2 2.98Å; T943-H1160 PolarHBondContact N-NE2 3.02Å; W956-H1160 PolarHBondContact NE1-O 2.78Å; P1146-H1160 WeakPolarHBondContact O-CA 3.32Å; P1146-H1160 WeakPolarHBondContact O-CB 3.45Å; I1158-H1160 PolarHBondContact O-CD2 3.32Å; I1158-H1160 VanDerWaalsContact O-CD2 3.28Å; H1160-G1162 WeakPolarHBondContact ND1-CA 3.22Å; H1160-G1162 PolarHBondContact ND1-N 3.17Å; H1160-G1162 PolarHBondContact O-N 3.11Å; H1160-P1217 HydrophobicContact CB-CB 3.81Å; H1160-P1217 HydrophobicContact CB-CG 4.49Å
1161L88.8Confident78.6Confident4 Ų448.6 Ų48.62%0.02126%0.261CS..  trans-68.6-7.9-179.3-65175.2000114.3L719 W956 F1144 P1146 T1164 V1220L719-L1161 HydrophobicContact CD1-CD2 4.1Å; W956-L1161 HydrophobicContact CB-CD2 3.95Å; W956-L1161 HydrophobicContact CD2-CD2 3.73Å; W956-L1161 HydrophobicContact CE3-CD2 3.87Å; W956-L1161 HydrophobicContact CG-CD2 3.77Å; F1144-L1161 HydrophobicContact CD1-CD1 4.26Å; F1144-L1161 HydrophobicContact CE1-CD1 4.45Å; P1146-L1161 HydrophobicContact CG-CD1 4.04Å; P1146-L1161 HydrophobicContact CG-CD2 3.79Å; P1146-L1161 HydrophobicContact CG-CG 3.56Å; L1161-T1164 HydrophobicContact CB-CG2 3.87Å; L1161-T1164 HydrophobicContact CD1-CG2 4.14Å; L1161-V1220 HydrophobicContact CD1-CG1 4.26Å; L1161-V1220 HydrophobicContact CD1-CG2 4.41Å
1162G82.6Confident77.3Confident1 Ų153.5 Ų53.51%0.0128%0.281CS..  trans67.1-163-161.400000111.9H1160 T1164 G1218H1160-G1162 WeakPolarHBondContact ND1-CA 3.22Å; H1160-G1162 PolarHBondContact ND1-N 3.17Å; H1160-G1162 PolarHBondContact O-N 3.11Å; G1162-T1164 PolarHBondContact O-N 3.34Å; G1162-G1218 WeakPolarHBondContact O-CA 3.3Å; G1162-G1218 PolarHBondContact O-N 3.35Å
1163H76.1Confident76Confident22 Ų2252.4 Ų52.410%0.10227%0.272CS..SBendtrans-66.1129.5173.7-79-76.5000112.2L1173 Q1215H1163-L1173 VanDerWaalsContact ND1-CD1 3.32Å; H1163-L1173 WeakPolarHBondContact ND1-CD1 3.46Å; H1163-Q1215 VanDerWaalsContact CD2-CD 3.49Å
1164T77.3Confident74.8Confident5 Ų554.8 Ų54.83%0.03128%0.279CS..  trans-114.8155.618056.20000111.4L719 L1161 G1162 D1166 Q1167 C1168 Y1219 V1220L719-T1164 HydrophobicContact CD2-CG2 4.34Å; L1161-T1164 HydrophobicContact CB-CG2 3.87Å; L1161-T1164 HydrophobicContact CD1-CG2 4.14Å; G1162-T1164 PolarHBondContact O-N 3.34Å; T1164-D1166 VanDerWaalsContact C-N 3.32Å; T1164-D1166 PolarHBondContact O-N 3.38Å; T1164-Q1167 PolarHBondContact O-N 3.36Å; T1164-Q1167 WeakPolarHBondContact OG1-CB 3.05Å; T1164-C1168 PolarHBondContact O-N 3.35Å; T1164-C1168 VanDerWaalsContact O-N 3.13Å; T1164-C1168 PolarHBondContact O-SG 2.79Å; T1164-C1168 VanDerWaalsContact O-SG 3.36Å; T1164-Y1219 VanDerWaalsContact CB-O 3.27Å; T1164-Y1219 WeakPolarHBondContact CB-O 3.21Å; T1164-Y1219 PolarHBondContact OG1-N 2.79Å; T1164-Y1219 PolarHBondContact OG1-O 2.95Å; T1164-V1220 HydrophobicContact CG2-CG1 3.87Å
1165L72.3Confident73.1Confident84 Ų8450.2 Ų50.244%0.4427%0.267SS..Hα-helixtrans-58.7-43.5-179.9-172.966.2000111.9Q1167 C1168 C1169L1165-Q1167 VanDerWaalsContact C-N 3.33Å; L1165-Q1167 PolarHBondContact O-N 3.14Å; L1165-C1168 WeakPolarHBondContact O-CB 3.38Å; L1165-C1168 PolarHBondContact O-N 2.96Å; L1165-C1168 VanDerWaalsContact O-N 3.11Å; L1165-C1169 PolarHBondContact O-N 3.29Å; L1165-C1169 PolarHBondContact O-SG 3.16Å; L1165-C1169 VanDerWaalsContact O-SG 3.33Å
1166D77.5Confident71.1Confident43 Ų4348.9 Ų48.923%0.2327%0.265CS..Hα-helixtrans-62.5-40.5-179.4-61.6-15000112T1164 C1168 C1169 D1170 Y1219 V1220 T1221T1164-D1166 VanDerWaalsContact C-N 3.32Å; T1164-D1166 PolarHBondContact O-N 3.38Å; D1166-C1168 VanDerWaalsContact C-N 3.31Å; D1166-C1168 PolarHBondContact O-N 3.1Å; D1166-C1169 PolarHBondContact O-N 3.04Å; D1166-D1170 PolarHBondContact O-N 2.89Å; D1166-D1170 VanDerWaalsContact O-N 3.07Å; D1166-Y1219 HydrophobicContact CB-CD2 4.5Å; D1166-Y1219 HydrophobicContact CB-CE2 4.37Å; D1166-V1220 VanDerWaalsContact OD2-CA 3.23Å; D1166-V1220 WeakPolarHBondContact OD2-CA 3.34Å; D1166-T1221 PolarHBondContact OD2-N 3.01Å
1167Q75.7Confident68.8Low6 Ų655.3 Ų55.33%0.02830%0.297CS..Hα-helixtrans-63.8-38.2175.6-175.1-177.334.400111.8T1164 L1165 S1216 Y1219T1164-Q1167 PolarHBondContact O-N 3.36Å; T1164-Q1167 WeakPolarHBondContact OG1-CB 3.05Å; L1165-Q1167 VanDerWaalsContact C-N 3.33Å; L1165-Q1167 PolarHBondContact O-N 3.14Å; Q1167-S1216 PolarHBondContact NE2-OG 3.05Å; Q1167-Y1219 HydrophobicContact CB-CD1 4.33Å; Q1167-Y1219 HydrophobicContact CB-CE1 3.91Å; Q1167-Y1219 HydrophobicContact CG-CD1 4.42Å; Q1167-Y1219 HydrophobicContact CG-CE1 3.84Å
1168C67.7Low66.1Low40 Ų4058.1 Ų58.127%0.2731%0.312SS..Hα-helixtrans-67.9-43.3175.2-66.40000111.8T1164 L1165 D1166 D1170 K1171T1164-C1168 PolarHBondContact O-N 3.35Å; T1164-C1168 VanDerWaalsContact O-N 3.13Å; T1164-C1168 PolarHBondContact O-SG 2.79Å; T1164-C1168 VanDerWaalsContact O-SG 3.36Å; L1165-C1168 WeakPolarHBondContact O-CB 3.38Å; L1165-C1168 PolarHBondContact O-N 2.96Å; L1165-C1168 VanDerWaalsContact O-N 3.11Å; D1166-C1168 VanDerWaalsContact C-N 3.31Å; D1166-C1168 PolarHBondContact O-N 3.1Å; C1168-D1170 VanDerWaalsContact C-N 3.29Å; C1168-D1170 PolarHBondContact O-N 3.49Å; C1168-K1171 PolarHBondContact O-N 3.13Å; C1168-K1171 VanDerWaalsContact O-N 3.12Å
1169C70.3Confident63.3Low88 Ų8862.2 Ų62.260%0.59534%0.342SS*.Hα-helixtrans-62-35.5178.9-72.70000112.6L1165 D1166 K1171L1165-C1169 PolarHBondContact O-N 3.29Å; L1165-C1169 PolarHBondContact O-SG 3.16Å; L1165-C1169 VanDerWaalsContact O-SG 3.33Å; D1166-C1169 PolarHBondContact O-N 3.04Å; C1169-K1171 PolarHBondContact O-N 3.1Å; C1169-K1171 VanDerWaalsContact O-N 3.12Å
1170D67.1Low60.6Low92 Ų9268.7 Ų68.749%0.49238%0.376SS..THydrogen-bonded Turntrans-72.12.2177.1-83.73.5000113.8D1166 C1168 K1172 Y1219D1166-D1170 PolarHBondContact O-N 2.89Å; D1166-D1170 VanDerWaalsContact O-N 3.07Å; C1168-D1170 VanDerWaalsContact C-N 3.29Å; C1168-D1170 PolarHBondContact O-N 3.49Å; D1170-K1172 HydrophobicContact CB-CD 4.39Å; D1170-K1172 HydrophobicContact CB-CG 4.35Å; D1170-K1172 PolarHBondContact O-N 3.38Å; D1170-Y1219 WeakPolarHBondContact CB-OH 3.38Å; D1170-Y1219 PolarHBondContact OD2-OH 3.15Å
1171K59.5Low57.9Low184 Ų18472.6 Ų72.680%0.839%0.392SS*.THydrogen-bonded Turntrans5420.5-177-58.4-174.8179.1-175.40114C1168 C1169 L1173C1168-K1171 PolarHBondContact O-N 3.13Å; C1168-K1171 VanDerWaalsContact O-N 3.12Å; C1169-K1171 PolarHBondContact O-N 3.1Å; C1169-K1171 VanDerWaalsContact O-N 3.12Å; K1171-L1173 VanDerWaalsContact C-N 3.29Å; K1171-L1173 PolarHBondContact O-N 2.97Å
1172K55.9Low55.1Low109 Ų10978 Ų7847%0.47442%0.421SS..THydrogen-bonded Turntrans-87.111-179.2-77.7-179.4-179.8172.30113.7D1170 D1174D1170-K1172 HydrophobicContact CB-CD 4.39Å; D1170-K1172 HydrophobicContact CB-CG 4.35Å; D1170-K1172 PolarHBondContact O-N 3.38Å; K1172-D1174 PolarHBondContact O-N 2.89Å
1173L50.3Low52.8Low35 Ų3585.9 Ų85.918%0.18346%0.457CS..THydrogen-bonded Turntrans-60.4-33.3178.8-137.681000112.1Y932 V947 H1163 K1171Y932-L1173 HydrophobicContact CE2-CD2 4.28Å; V947-L1173 HydrophobicContact CG1-CD2 4.09Å; V947-L1173 HydrophobicContact CG1-CG 4.46Å; H1163-L1173 VanDerWaalsContact ND1-CD1 3.32Å; H1163-L1173 WeakPolarHBondContact ND1-CD1 3.46Å; K1171-L1173 VanDerWaalsContact C-N 3.29Å; K1171-L1173 PolarHBondContact O-N 2.97Å
1174D44.5Very low50.5Low90 Ų9088.4 Ų88.448%0.48148%0.477SS..SBendtrans-101.3-7.3-170.3-85.3-43.6000115.9Y932 K1172 K1213Y932-D1174 PolarHBondContact OH-OD2 2.98Å; K1172-D1174 PolarHBondContact O-N 2.89Å; D1174-K1213 PolarHBondContact O-NZ 3.09Å; D1174-K1213 IonicContact OD1-NZ 3.01Å
1175S36.8Very low48.3Very low66 Ų6693 Ų9346%0.46250%0.495SS..  trans-140141.1-166.469.10000114.1
1176V35.3Very low46.2Very low117 Ų11793.7 Ų93.771%0.70950%0.504SS*.  trans82.4103159.2-167.40000115.1D1178V1176-D1178 VanDerWaalsContact C-N 3.31Å; V1176-D1178 PolarHBondContact O-N 3.03Å
1177I35.1Very low43.8Very low154 Ų15497.8 Ų97.879%0.7953%0.531SS*.  trans-48.6104.8140.1-61.9168000105.1S1179I1177-S1179 PolarHBondContact O-N 2.97Å
1178D33.8Very low41.5Very low64 Ų64103.6 Ų103.634%0.34256%0.562SS.*  trans-54106.4170.7-164.78.5000105.8V1176 D1180 Y1181V1176-D1178 VanDerWaalsContact C-N 3.31Å; V1176-D1178 PolarHBondContact O-N 3.03Å; D1178-D1180 PolarHBondContact O-N 3.24Å; D1178-Y1181 WeakPolarHBondContact O-CB 3.24Å; D1178-Y1181 PolarHBondContact O-N 2.77Å
1179S34.9Very low39.5Very low103 Ų103108.5 Ų108.572%0.7259%0.585SS**THydrogen-bonded Turntrans-65.6-8.4-176.249.90000112.1I1177 Y1181I1177-S1179 PolarHBondContact O-N 2.97Å; S1179-Y1181 VanDerWaalsContact C-N 3.28Å
1180D36.9Very low37.5Very low135 Ų135111.3 Ų111.372%0.72260%0.595SS**THydrogen-bonded Turntrans-81.7-5.5169-73.3-7.8000113D1178 D1182D1178-D1180 PolarHBondContact O-N 3.24Å; D1180-D1182 PolarHBondContact O-N 3.09Å; D1180-D1182 VanDerWaalsContact O-N 3.1Å
1181Y37.3Very low35.4Very low83 Ų83111.1 Ų111.133%0.32560%0.6SS.*SBendtrans-84.273.4164.8-139.8-88.2000108.4D1178 S1179 Q1183 L1258D1178-Y1181 WeakPolarHBondContact O-CB 3.24Å; D1178-Y1181 PolarHBondContact O-N 2.77Å; S1179-Y1181 VanDerWaalsContact C-N 3.28Å; Y1181-Q1183 PolarHBondContact O-N 3.18Å; Y1181-L1258 WeakPolarHBondContact OH-CD1 3.29Å
1182D29.5Very low33.8Very low118 Ų118113.5 Ų113.563%0.63161%0.606SS**  trans-54.898.3175.1-161.59000109D1180 S1184D1180-D1182 PolarHBondContact O-N 3.09Å; D1180-D1182 VanDerWaalsContact O-N 3.1Å; D1182-S1184 PolarHBondContact O-N 3.49Å; D1182-S1184 VanDerWaalsContact O-N 3.08Å; D1182-S1184 VanDerWaalsContact OD1-CB 3.23Å; D1182-S1184 WeakPolarHBondContact OD1-CB 3.44Å; D1182-S1184 PolarHBondContact OD1-N 2.81Å; D1182-S1184 PolarHBondContact OD1-OG 3.27Å; D1182-S1184 VanDerWaalsContact OD1-OG 3.12Å; D1182-S1184 PolarHBondContact OD2-OG 3.37Å
1183Q34.9Very low32.2Very low166 Ų166116.9 Ų116.978%0.77662%0.621SS**  trans-7429.1166.7-85.3-1724.700110.6Y1181 Y1185Y1181-Q1183 PolarHBondContact O-N 3.18Å; Q1183-Y1185 PolarHBondContact O-N 3.42Å
1184S28.1Very low31Very low75 Ų75126.2 Ų126.252%0.52466%0.655SS.*  trans-69.658.8163.963.60000110.5D1182 P1186D1182-S1184 PolarHBondContact O-N 3.49Å; D1182-S1184 VanDerWaalsContact O-N 3.08Å; D1182-S1184 VanDerWaalsContact OD1-CB 3.23Å; D1182-S1184 WeakPolarHBondContact OD1-CB 3.44Å; D1182-S1184 PolarHBondContact OD1-N 2.81Å; D1182-S1184 PolarHBondContact OD1-OG 3.27Å; D1182-S1184 VanDerWaalsContact OD1-OG 3.12Å; D1182-S1184 PolarHBondContact OD2-OG 3.37Å; S1184-P1186 WeakPolarHBondContact O-CD 3.23Å
1185Y31.3Very low30.1Very low102 Ų102127.9 Ų127.940%0.466%0.66SS.*  trans-70.6124.1153.9-77.2-82000106.1R1149 A1153 Q1183 V1187R1149-Y1185 VanDerWaalsContact NH1-CZ 3.31Å; R1149-Y1185 PolarHBondContact NH1-OH 3.4Å; A1153-Y1185 HydrophobicContact CB-CD1 3.95Å; A1153-Y1185 HydrophobicContact CB-CE1 3.78Å; Q1183-Y1185 PolarHBondContact O-N 3.42Å; Y1185-V1187 PolarHBondContact O-N 2.84Å; Y1185-V1187 VanDerWaalsContact O-N 3.07Å
1186P27.6Very low29.6Very low98 Ų98132.2 Ų132.264%0.63668%0.678SS**  trans-50.5123.9173-20.630.6000107.6S1184 D1188S1184-P1186 WeakPolarHBondContact O-CD 3.23Å; P1186-D1188 PolarHBondContact O-N 3.04Å
1187V27.2Very low29Very low129 Ų129135.9 Ų135.978%0.78268%0.679SS**  trans-66.482.8165-179.70000104.9Y1185 D1189Y1185-V1187 PolarHBondContact O-N 2.84Å; Y1185-V1187 VanDerWaalsContact O-N 3.07Å; V1187-D1189 PolarHBondContact O-N 3.08Å
1188D27.8Very low28.6Very low128 Ų128135.9 Ų135.968%0.68468%0.679SS**  trans-68.9113.2154.5-78.1-29.8000105.4P1186 D1190P1186-D1188 PolarHBondContact O-N 3.04Å; D1188-D1190 PolarHBondContact O-N 3.02Å; D1188-D1190 VanDerWaalsContact O-N 3.09Å
1189D26.2Very low28.2Very low143 Ų143142.8 Ų142.877%0.76571%0.706SS**  trans-61.789.7-177-166.720.6000109.4V1187V1187-D1189 PolarHBondContact O-N 3.08Å
1190D27.4Very low27.7Very low147 Ų147142 Ų14279%0.78670%0.7SS**  trans-145.6102.5163.2-85.1-40.4000108.8D1188 Y1192D1188-D1190 PolarHBondContact O-N 3.02Å; D1188-D1190 VanDerWaalsContact O-N 3.09Å; D1190-Y1192 PolarHBondContact O-N 2.85Å
1191S23.8Very low27.2Very low88 Ų88141.5 Ų141.562%0.61571%0.708SS**  trans-56.1117.8177.753.30000112.9
1192Y24.3Very low26.6Very low233 Ų233143.8 Ų143.891%0.91472%0.724SS**  trans-135.6106.9146.8-94.5-84.6000108.6D1190 Y1194D1190-Y1192 PolarHBondContact O-N 2.85Å; Y1192-Y1194 PolarHBondContact O-N 3.37Å
1193F23.5Very low26.4Very low181 Ų181146.5 Ų146.579%0.79474%0.739SS**  trans-59.5119.7176-87.4-105.5000110.5
1194Y24.6Very low25.9Very low230 Ų230145.2 Ų145.290%0.90274%0.736SS**  trans-89.1108.6148.7-124.7-93.8000105.6Y1192 D1196Y1192-Y1194 PolarHBondContact O-N 3.37Å; Y1194-D1196 PolarHBondContact O-N 3.46Å
1195E25.5Very low25.8Very low125 Ų125151 Ų15158%0.58476%0.755SS**  trans-67.399.4178.5-79.2-143.3147.700110.7R1197E1195-R1197 HydrophobicContact CB-CG 4.47Å; E1195-R1197 PolarHBondContact O-N 3.5Å; E1195-R1197 IonicContact OE2-CZ 3.75Å; E1195-R1197 IonicContact OE2-NE 3.1Å; E1195-R1197 PolarHBondContact OE2-NE 2.84Å; E1195-R1197 IonicContact OE2-NH2 3.7Å; E1195-R1197 PolarHBondContact OE2-NH2 2.88Å
1196D26.7Very low25.5Very low157 Ų157151 Ų15184%0.8477%0.77SS**  trans-72.476.4157.4-96.5-18000109.4Y1194 I1198Y1194-D1196 PolarHBondContact O-N 3.46Å; D1196-I1198 VanDerWaalsContact C-N 3.29Å; D1196-I1198 PolarHBondContact O-N 3.44Å; D1196-I1198 VanDerWaalsContact O-N 3.11Å
1197R23.5Very low25.4Very low195 Ų195153.1 Ų153.174%0.73678%0.776SS**  trans-77.281.6161.6-71.3-168-161.5-166.73.7109.2E1195E1195-R1197 HydrophobicContact CB-CG 4.47Å; E1195-R1197 PolarHBondContact O-N 3.5Å; E1195-R1197 IonicContact OE2-CZ 3.75Å; E1195-R1197 IonicContact OE2-NE 3.1Å; E1195-R1197 PolarHBondContact OE2-NE 2.84Å; E1195-R1197 IonicContact OE2-NH2 3.7Å; E1195-R1197 PolarHBondContact OE2-NH2 2.88Å
1198I26.2Very low25.4Very low153 Ų153153.5 Ų153.579%0.78578%0.779SS**  trans-161.986.3142.7-75.2121.5000106D1196D1196-I1198 VanDerWaalsContact C-N 3.29Å; D1196-I1198 PolarHBondContact O-N 3.44Å; D1196-I1198 VanDerWaalsContact O-N 3.11Å
1199K24.2Very low25.5Very low210 Ų210153.3 Ų153.391%0.91378%0.782SS**  trans-128.460156-82.2-172.6179.8174.30108.3
1200S25.8Very low25.8Very low85 Ų85157.5 Ų157.559%0.59479%0.787SS**  trans-104106159.757.20000107.6I1202S1200-I1202 PolarHBondContact O-N 2.77Å
1201S25.1Very low26.5Very low126 Ų126155.1 Ų155.188%0.88178%0.782SS**  trans-52.495.4176.6-39.90000111.6
1202I25.6Very low27.6Very low130 Ų130157.5 Ų157.567%0.66778%0.783SS**  trans-132.7102.2164.9-58.3178.5000107S1200 L1204S1200-I1202 PolarHBondContact O-N 2.77Å; I1202-L1204 VanDerWaalsContact C-N 3.26Å; I1202-L1204 HydrophobicContact CG2-CB 4.37Å; I1202-L1204 HydrophobicContact CG2-CD1 4.05Å; I1202-L1204 PolarHBondContact O-N 3.13Å
1203N25.3Very low29.9Very low175 Ų175151.3 Ų151.394%0.93676%0.761SS**  trans-59.790164.6-87.5-39.1000108.1
1204L24.8Very low32.6Very low139 Ų139149.4 Ų149.473%0.72875%0.75SS**  trans-122.9127165.2-130.682.8000107.5I1202 S1206I1202-L1204 VanDerWaalsContact C-N 3.26Å; I1202-L1204 HydrophobicContact CG2-CB 4.37Å; I1202-L1204 HydrophobicContact CG2-CD1 4.05Å; I1202-L1204 PolarHBondContact O-N 3.13Å; L1204-S1206 VanDerWaalsContact C-N 3.34Å; L1204-S1206 PolarHBondContact O-N 3.13Å
1205H24.8Very low35.1Very low197 Ų197138.7 Ų138.791%0.91271%0.708SS**  trans-46.796.1168.8-91.8-66000109.7D1207H1205-D1207 PolarHBondContact O-N 3.29Å
1206S25.6Very low37.8Very low101 Ų101135.3 Ų135.371%0.70670%0.698SS**  trans-88.2107.3177.860.50000108.5L1204 T1208L1204-S1206 VanDerWaalsContact C-N 3.34Å; L1204-S1206 PolarHBondContact O-N 3.13Å; S1206-T1208 PolarHBondContact O-N 2.92Å
1207D24.7Very low40.8Very low143 Ų143129 Ų12977%0.76567%0.666SS**  trans-36.9128.1159.9-67.6-49.7000111.1H1205 V1209H1205-D1207 PolarHBondContact O-N 3.29Å; D1207-V1209 VanDerWaalsContact C-N 3.34Å; D1207-V1209 PolarHBondContact O-N 3.2Å
1208T29.1Very low43.7Very low138 Ų138119.8 Ų119.885%0.84763%0.631SS**  trans-8.472.31689.60000116.8S1206 R1210S1206-T1208 PolarHBondContact O-N 2.92Å; T1208-R1210 PolarHBondContact O-N 3.48Å
1209V28.6Very low46.8Very low124 Ų124113 Ų11375%0.75260%0.595SS**  trans-70.5102.6161.3179.90000105.5D1207 S1211D1207-V1209 VanDerWaalsContact C-N 3.34Å; D1207-V1209 PolarHBondContact O-N 3.2Å; V1209-S1211 PolarHBondContact O-N 3.19Å
1210R33.4Very low50Low230 Ų230103 Ų10387%0.86855%0.552SS**  trans-58.2102.3175.3-73.5180172.3-167-2.5108T1208 E1212T1208-R1210 PolarHBondContact O-N 3.48Å; R1210-E1212 PolarHBondContact O-N 3.02Å
1211S41.7Very low53.1Low98 Ų98100.6 Ų100.669%0.68553%0.534SS*.  trans-63106171.21760000107.7V1209 K1213V1209-S1211 PolarHBondContact O-N 3.19Å; S1211-K1213 PolarHBondContact O-N 3.38Å
1212E47.2Very low56.4Low137 Ų13794.6 Ų94.664%0.6449%0.492SS*.  trans-64.497.6173.3-63.8-177.7160.900108F946 R1210F946-E1212 HydrophobicContact CD1-CB 3.71Å; F946-E1212 HydrophobicContact CE1-CB 3.5Å; F946-E1212 HydrophobicContact CE1-CG 4.47Å; F946-E1212 HydrophobicContact CZ-CB 4.25Å; F946-E1212 VanDerWaalsContact CZ-OE2 3.29Å; F946-E1212 WeakPolarHBondContact CZ-OE2 3.43Å; R1210-E1212 PolarHBondContact O-N 3.02Å
1213K72.6Confident59.5Low103 Ų10393.4 Ų93.445%0.44849%0.487SS..PPolyproline II helixtrans-76.1131.6-179.7-68.5-176.1-176.8175.50109.7V947 D1174 S1211V947-K1213 HydrophobicContact CG2-CB 4.04Å; V947-K1213 WeakPolarHBondContact CG2-O 3.47Å; V947-K1213 PolarHBondContact N-O 3.01Å; D1174-K1213 PolarHBondContact O-NZ 3.09Å; D1174-K1213 IonicContact OD1-NZ 3.01Å; S1211-K1213 PolarHBondContact O-N 3.38Å
1214Y80.5Confident62.6Low141 Ų14187.6 Ų87.655%0.55346%0.456SS*.BIsolated β-bridgetrans-75152.9171.4-68.5-76.4000112N944 W945 F946N944-Y1214 WeakPolarHBondContact O-CD1 3.01Å; N944-Y1214 WeakPolarHBondContact O-CE1 3.17Å; W945-Y1214 CarbonylContact O-C 3.5Å; W945-Y1214 WeakPolarHBondContact O-CA 3.48Å; F946-Y1214 HydrophobicContact CD1-CD1 4.01Å; F946-Y1214 AromaticContact CD1-CE1 3.98Å; F946-Y1214 HydrophobicContact CD1-CE1 3.98Å; F946-Y1214 AromaticContact CE1-CD1 3.99Å; F946-Y1214 HydrophobicContact CE1-CD1 3.99Å; F946-Y1214 AromaticContact CE1-CE1 3.49Å; F946-Y1214 HydrophobicContact CE1-CE1 3.49Å; F946-Y1214 VanDerWaalsContact CE1-CE1 3.49Å; F946-Y1214 HydrophobicContact CE1-CE2 4.36Å; F946-Y1214 AromaticContact CE1-CZ 3.7Å; F946-Y1214 AromaticContact CZ-CE1 3.98Å; F946-Y1214 HydrophobicContact CZ-CE1 3.98Å
1215Q76.4Confident65.9Low6 Ų681.5 Ų81.53%0.02843%0.427CS..PPolyproline II helixtrans-68136.2178.9-66.7-168.518.700111.7W945 F946 D949 H1163W945-Q1215 HydrophobicContact CB-CG 4.34Å; W945-Q1215 WeakPolarHBondContact O-CG 3.17Å; W945-Q1215 PolarHBondContact O-N 2.9Å; F946-Q1215 VanDerWaalsContact C-CG 3.48Å; F946-Q1215 VanDerWaalsContact O-CG 3.26Å; F946-Q1215 WeakPolarHBondContact O-CG 3.15Å; F946-Q1215 PolarHBondContact O-NE2 3.47Å; D949-Q1215 PolarHBondContact O-NE2 3.4Å; H1163-Q1215 VanDerWaalsContact CD2-CD 3.49Å
1216S83Confident69.3Low54 Ų5475.3 Ų75.338%0.37840%0.396SS..PPolyproline II helixtrans-85.2150.7163.457.40000110.3Q1167 G1218Q1167-S1216 PolarHBondContact NE2-OG 3.05Å; S1216-G1218 PolarHBondContact O-N 3.22Å; S1216-G1218 VanDerWaalsContact O-N 3.08Å
1217P88.2Confident72.6Confident25 Ų2570.7 Ų70.716%0.16236%0.363CS..  trans-57.7115.2176.7-26.735.4000112.5Q1145 H1160Q1145-P1217 HydrophobicContact CG-CB 4.34Å; Q1145-P1217 PolarHBondContact NE2-O 3.05Å; H1160-P1217 HydrophobicContact CB-CB 3.81Å; H1160-P1217 HydrophobicContact CB-CG 4.49Å
1218G85Confident76.1Confident0 Ų064.3 Ų64.30%033%0.328CS..  trans-71.5158.3177.100000113.3G1162 S1216G1162-G1218 WeakPolarHBondContact O-CA 3.3Å; G1162-G1218 PolarHBondContact O-N 3.35Å; S1216-G1218 PolarHBondContact O-N 3.22Å; S1216-G1218 VanDerWaalsContact O-N 3.08Å
1219Y91.1Very high79.3Confident10 Ų1057.8 Ų57.84%0.03929%0.288CS..  trans-136.5155.5-175.859.2-94.4000111.8R1143 F1144 T1164 D1166 Q1167 D1170R1143-Y1219 VanDerWaalsContact CD-CD2 3.42Å; R1143-Y1219 HydrophobicContact CG-CD2 3.85Å; R1143-Y1219 HydrophobicContact CG-CG 4.09Å; F1144-Y1219 CarbonylContact O-C 3.59Å; F1144-Y1219 WeakPolarHBondContact O-CA 3.39Å; F1144-Y1219 WeakPolarHBondContact O-CB 3.44Å; T1164-Y1219 VanDerWaalsContact CB-O 3.27Å; T1164-Y1219 WeakPolarHBondContact CB-O 3.21Å; T1164-Y1219 PolarHBondContact OG1-N 2.79Å; T1164-Y1219 PolarHBondContact OG1-O 2.95Å; D1166-Y1219 HydrophobicContact CB-CD2 4.5Å; D1166-Y1219 HydrophobicContact CB-CE2 4.37Å; Q1167-Y1219 HydrophobicContact CB-CD1 4.33Å; Q1167-Y1219 HydrophobicContact CB-CE1 3.91Å; Q1167-Y1219 HydrophobicContact CG-CD1 4.42Å; Q1167-Y1219 HydrophobicContact CG-CE1 3.84Å; D1170-Y1219 WeakPolarHBondContact CB-OH 3.38Å; D1170-Y1219 PolarHBondContact OD2-OH 3.15Å
1220V91.2Very high82.5Confident2 Ų251.9 Ų51.91%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-124.2144.5171.1-61.60000110.5I717 I958 R1143 F1144 L1161 T1164 D1166 L1222I717-V1220 HydrophobicContact CD1-CB 4.4Å; I717-V1220 HydrophobicContact CD1-CG2 4.41Å; I717-V1220 HydrophobicContact CG2-CG1 4.12Å; I958-V1220 HydrophobicContact CD1-CG1 4.45Å; I958-V1220 HydrophobicContact CD1-CG2 3.61Å; R1143-V1220 CarbonylContact C-O 3.6Å; R1143-V1220 WeakPolarHBondContact CA-O 3.41Å; F1144-V1220 HydrophobicContact CB-CG2 4.09Å; F1144-V1220 HydrophobicContact CD1-CG2 4.23Å; F1144-V1220 PolarHBondContact N-O 2.97Å; F1144-V1220 PolarHBondContact O-N 3.36Å; L1161-V1220 HydrophobicContact CD1-CG1 4.26Å; L1161-V1220 HydrophobicContact CD1-CG2 4.41Å; T1164-V1220 HydrophobicContact CG2-CG1 3.87Å; D1166-V1220 VanDerWaalsContact OD2-CA 3.23Å; D1166-V1220 WeakPolarHBondContact OD2-CA 3.34Å; V1220-L1222 HydrophobicContact CG2-CD2 4.12Å
1221T91.7Very high85.5Confident33 Ų3341.1 Ų41.120%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-89.5131.9167.3-63.30000108.5Q1141 D1166Q1141-T1221 HydrophobicContact CG-CG2 3.43Å; Q1141-T1221 VanDerWaalsContact CG-CG2 3.43Å; Q1141-T1221 PolarHBondContact NE2-OG1 2.79Å; D1166-T1221 PolarHBondContact OD2-N 3.01Å
1222L93.7Very high88.1Confident1 Ų136.5 Ų36.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-97.6129.3178-59.1179.6000110.3I717 I958 L1133 I1135 V1142 F1144 V1220 W1228 I1230I717-L1222 HydrophobicContact CD1-CD2 3.76Å; I958-L1222 HydrophobicContact CG2-CD2 4.19Å; L1133-L1222 HydrophobicContact CD1-CD1 3.59Å; I1135-L1222 HydrophobicContact CD1-CB 3.61Å; I1135-L1222 HydrophobicContact CD1-CD1 4.11Å; V1142-L1222 PolarHBondContact O-N 2.84Å; F1144-L1222 HydrophobicContact CB-CD1 4.42Å; V1220-L1222 HydrophobicContact CG2-CD2 4.12Å; L1222-W1228 HydrophobicContact CB-CG 4.38Å; L1222-W1228 HydrophobicContact CD1-CB 4.23Å; L1222-W1228 HydrophobicContact CD1-CG 4.17Å; L1222-W1228 HydrophobicContact CD2-CD2 4.06Å; L1222-W1228 HydrophobicContact CD2-CE3 4.33Å; L1222-W1228 HydrophobicContact CD2-CG 4.23Å; L1222-W1228 HydrophobicContact CG-CG 4.5Å; L1222-I1230 HydrophobicContact CD1-CD1 4.45Å
1223D90.8Very high90.3Very high104 Ų10430 Ų3056%0.55615%0.149SC*.PPolyproline II helixtrans-67146.8177.3-65.1-35.2000112.2Y1226 W1228D1223-Y1226 HydrophobicContact CB-CD2 4.16Å; D1223-Y1226 HydrophobicContact CB-CE2 4.36Å; D1223-W1228 HydrophobicContact CB-CZ2 4.14Å; D1223-W1228 PolarHBondContact O-NE1 3.08Å
1224N91.5Very high91.1Very high54 Ų5427.3 Ų27.329%0.28914%0.139SC..THydrogen-bonded Turntrans-75.9154.9179.2-59.6-23.9000112.4I1135 P1136 A1138 I1140 Y1226I1135-N1224 HydrophobicContact CG2-CB 4.3Å; I1135-N1224 WeakPolarHBondContact CG2-OD1 3.45Å; P1136-N1224 WeakPolarHBondContact O-CB 3.42Å; A1138-N1224 PolarHBondContact O-ND2 3.48Å; I1140-N1224 PolarHBondContact O-ND2 3.47Å; I1140-N1224 PolarHBondContact O-OD1 3.33Å; N1224-Y1226 WeakPolarHBondContact O-CD2 3.3Å
1225G93.2Very high91.6Very high11 Ų1121.1 Ų21.111%0.11312%0.118CC..THydrogen-bonded Turntrans85.99.1177.200000114.9K963 Y964 I1135 P1136K963-G1225 CarbonylContact C-O 3.45Å; K963-G1225 WeakPolarHBondContact CA-O 3.3Å; Y964-G1225 PolarHBondContact N-O 3.39Å; I1135-G1225 CarbonylContact O-C 3.59Å; I1135-G1225 WeakPolarHBondContact O-CA 3.36Å; I1135-G1225 PolarHBondContact O-N 3.19Å; P1136-G1225 PolarHBondContact O-N 3.28Å
1226Y96.1Very high92.3Very high67 Ų6720.9 Ų20.926%0.26312%0.116SC..EExtended strand (participates in β ladder)trans-122157.3-177.6-66.6-80.2000113.2A960 G962 K963 I1135 D1223 N1224 W1228A960-Y1226 HydrophobicContact CB-CD1 4.07Å; A960-Y1226 HydrophobicContact CB-CG 4.29Å; G962-Y1226 WeakPolarHBondContact O-CA 3.28Å; G962-Y1226 WeakPolarHBondContact O-CD1 3.24Å; K963-Y1226 HydrophobicContact CD-CD1 4.34Å; K963-Y1226 HydrophobicContact CD-CE1 4.03Å; K963-Y1226 PolarHBondContact NZ-OH 3.17Å; K963-Y1226 VanDerWaalsContact NZ-OH 3.1Å; I1135-Y1226 PolarHBondContact N-O 2.92Å; I1135-Y1226 PolarHBondContact O-N 3.2Å; D1223-Y1226 HydrophobicContact CB-CD2 4.16Å; D1223-Y1226 HydrophobicContact CB-CE2 4.36Å; N1224-Y1226 WeakPolarHBondContact O-CD2 3.3Å; Y1226-W1228 HydrophobicContact CD2-CZ2 4.42Å
1227L96Very high92.6Very high4 Ų418.8 Ų18.82%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-96.7107.4163.7172.964.1000108.7A960 L961 G962 L973 L985 A1134A960-L1227 CarbonylContact C-O 3.59Å; A960-L1227 WeakPolarHBondContact CA-O 3.49Å; L961-L1227 HydrophobicContact CB-CB 4.47Å; L961-L1227 HydrophobicContact CB-CD2 4.08Å; L961-L1227 HydrophobicContact CB-CG 4.18Å; L961-L1227 HydrophobicContact CD1-CD2 3.93Å; L961-L1227 HydrophobicContact CD1-CG 4.14Å; L961-L1227 PolarHBondContact N-O 3.13Å; G962-L1227 PolarHBondContact O-N 3.4Å; L973-L1227 HydrophobicContact CD2-CD2 3.72Å; L985-L1227 HydrophobicContact CD1-CD1 4.19Å; A1134-L1227 HydrophobicContact CB-CD1 3.82Å
1228W96.9Very high92.3Very high9 Ų918.3 Ų18.33%0.03410%0.097CC..EExtended strand (participates in β ladder)trans-92143178.8-67.5101.3000111.6I717 I958 Y959 A960 Y1132 L1133 L1222 D1223 Y1226I717-W1228 HydrophobicContact CD1-CH2 4.17Å; I717-W1228 HydrophobicContact CD1-CZ3 4.11Å; I717-W1228 HydrophobicContact CG1-CH2 4.1Å; I717-W1228 HydrophobicContact CG1-CZ3 3.97Å; I958-W1228 HydrophobicContact CG2-CE3 3.84Å; I958-W1228 HydrophobicContact CG2-CZ3 4.14Å; Y959-W1228 VanDerWaalsContact C-CE3 3.46Å; Y959-W1228 CarbonylContact O-C 3.57Å; Y959-W1228 WeakPolarHBondContact O-CA 3.31Å; A960-W1228 HydrophobicContact CB-CD2 4.1Å; A960-W1228 HydrophobicContact CB-CE3 3.76Å; A960-W1228 HydrophobicContact CB-CH2 3.75Å; A960-W1228 HydrophobicContact CB-CZ2 4.09Å; A960-W1228 HydrophobicContact CB-CZ3 3.57Å; Y1132-W1228 WeakPolarHBondContact CA-O 3.43Å; L1133-W1228 HydrophobicContact CB-CB 4.38Å; L1133-W1228 PolarHBondContact N-O 2.75Å; L1133-W1228 PolarHBondContact O-N 2.99Å; L1222-W1228 HydrophobicContact CB-CG 4.38Å; L1222-W1228 HydrophobicContact CD1-CB 4.23Å; L1222-W1228 HydrophobicContact CD1-CG 4.17Å; L1222-W1228 HydrophobicContact CD2-CD2 4.06Å; L1222-W1228 HydrophobicContact CD2-CE3 4.33Å; L1222-W1228 HydrophobicContact CD2-CG 4.23Å; L1222-W1228 HydrophobicContact CG-CG 4.5Å; D1223-W1228 HydrophobicContact CB-CZ2 4.14Å; D1223-W1228 PolarHBondContact O-NE1 3.08Å; Y1226-W1228 HydrophobicContact CD2-CZ2 4.42Å
1229V96.6Very high91.8Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-127126.7167.661.10000109.2C682 I958 Y959 L961 R1130 I1131 Y1132C682-V1229 HydrophobicContact CB-CG1 4.19Å; I958-V1229 WeakPolarHBondContact CA-O 3.32Å; Y959-V1229 PolarHBondContact N-O 3.05Å; Y959-V1229 PolarHBondContact O-N 3.25Å; L961-V1229 HydrophobicContact CD1-CB 4.1Å; L961-V1229 HydrophobicContact CD1-CG1 4.01Å; L961-V1229 HydrophobicContact CD2-CG1 3.85Å; L961-V1229 HydrophobicContact CG-CB 4.28Å; L961-V1229 HydrophobicContact CG-CG1 3.71Å; R1130-V1229 HydrophobicContact CB-CG2 4.15Å; R1130-V1229 HydrophobicContact CG-CG2 4.29Å; I1131-V1229 CarbonylContact O-C 3.54Å; I1131-V1229 WeakPolarHBondContact O-CA 3.48Å; Y1132-V1229 HydrophobicContact CD1-CB 4.05Å; Y1132-V1229 HydrophobicContact CD1-CG2 4.13Å; Y1132-V1229 HydrophobicContact CD2-CG2 4.27Å; Y1132-V1229 HydrophobicContact CE1-CB 3.82Å; Y1132-V1229 HydrophobicContact CE1-CG2 3.65Å; Y1132-V1229 HydrophobicContact CE2-CG2 3.77Å; Y1132-V1229 HydrophobicContact CG-CG2 4.42Å; Y1132-V1229 VanDerWaalsContact CZ-CG2 3.44Å
1230I96.9Very high91.1Very high0 Ų025.5 Ų25.50%015%0.151CC..EExtended strand (participates in β ladder)trans-109125.9174.3-5995.4000108I958 R1130 I1131 L1133 F1144 L1222 L1232I958-I1230 HydrophobicContact CD1-CG1 4.35Å; I958-I1230 HydrophobicContact CG1-CB 4.42Å; I958-I1230 HydrophobicContact CG1-CG1 3.99Å; I958-I1230 HydrophobicContact CG1-CG2 4.06Å; I958-I1230 HydrophobicContact CG2-CG1 4.15Å; R1130-I1230 CarbonylContact C-O 3.57Å; R1130-I1230 WeakPolarHBondContact CA-O 3.35Å; I1131-I1230 HydrophobicContact CB-CB 4.42Å; I1131-I1230 HydrophobicContact CB-CD1 4.43Å; I1131-I1230 PolarHBondContact N-O 3.19Å; I1131-I1230 PolarHBondContact O-N 2.86Å; L1133-I1230 HydrophobicContact CD1-CD1 4.35Å; F1144-I1230 HydrophobicContact CD1-CG1 4.1Å; F1144-I1230 HydrophobicContact CD1-CG2 4.4Å; F1144-I1230 HydrophobicContact CE1-CB 4.21Å; F1144-I1230 HydrophobicContact CE1-CG1 3.96Å; F1144-I1230 HydrophobicContact CE1-CG2 3.5Å; F1144-I1230 HydrophobicContact CZ-CB 4.27Å; F1144-I1230 HydrophobicContact CZ-CG1 4.27Å; F1144-I1230 HydrophobicContact CZ-CG2 3.73Å; L1222-I1230 HydrophobicContact CD1-CD1 4.45Å; I1230-L1232 HydrophobicContact CG2-CD1 4.4Å
1231R95.5Very high90.7Very high4 Ų430.8 Ų30.82%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-97.2129.6172.2-173.7-152.648.490.4-12.6110.5Y703 S955 W956 S957 S1129 R1130Y703-R1231 VanDerWaalsContact CE1-CD 3.49Å; S955-R1231 PolarHBondContact O-NH1 2.67Å; S955-R1231 PolarHBondContact O-NH2 3.05Å; W956-R1231 VanDerWaalsContact C-NH2 3.31Å; S957-R1231 PolarHBondContact N-O 2.65Å; S957-R1231 PolarHBondContact O-N 2.86Å; S957-R1231 WeakPolarHBondContact OG-CB 3.26Å; S957-R1231 PolarHBondContact OG-NE 3.29Å; S957-R1231 VanDerWaalsContact OG-NE 3.1Å; S1129-R1231 WeakPolarHBondContact O-CA 3.47Å; R1130-R1231 HydrophobicContact CG-CB 4.41Å; R1130-R1231 HydrophobicContact CG-CG 4.44Å
1232L95.4Very high90.3Very high2 Ų231.9 Ų31.91%0.0118%0.178CC..PPolyproline II helixtrans-84.9154.9173.6-8062.5000111.1W956 L1128 S1129 I1131 I1148 I1230W956-L1232 HydrophobicContact CE3-CG 4.34Å; W956-L1232 HydrophobicContact CH2-CG 4.21Å; W956-L1232 HydrophobicContact CZ3-CB 4.23Å; W956-L1232 HydrophobicContact CZ3-CD1 4.1Å; W956-L1232 HydrophobicContact CZ3-CG 3.6Å; L1128-L1232 HydrophobicContact CD2-CD2 3.87Å; L1128-L1232 HydrophobicContact CG-CD2 3.92Å; S1129-L1232 PolarHBondContact O-N 3.38Å; I1131-L1232 HydrophobicContact CD1-CD1 3.99Å; I1131-L1232 HydrophobicContact CG1-CD1 4.01Å; I1148-L1232 HydrophobicContact CD1-CD2 3.72Å; I1148-L1232 HydrophobicContact CD1-CG 4.19Å; I1230-L1232 HydrophobicContact CG2-CD1 4.4Å
1233P93.7Very high89.8Confident1 Ų132.6 Ų32.61%0.00618%0.181CC..PPolyproline II helixtrans-57.5145.4169.1-20.429.4000111.9V940 S955 W956 Y1236V940-P1233 HydrophobicContact CG1-CG 4Å; V940-P1233 HydrophobicContact CG2-CB 4.35Å; V940-P1233 HydrophobicContact CG2-CG 4.49Å; S955-P1233 WeakPolarHBondContact O-CG 3.48Å; W956-P1233 VanDerWaalsContact CD2-CD 3.42Å; W956-P1233 HydrophobicContact CD2-CG 3.84Å; W956-P1233 VanDerWaalsContact CE2-CD 3.43Å; W956-P1233 VanDerWaalsContact CE2-CG 3.47Å; W956-P1233 HydrophobicContact CE3-CG 4.49Å; W956-P1233 HydrophobicContact CG-CG 4.16Å; W956-P1233 HydrophobicContact CH2-CG 4.47Å; W956-P1233 HydrophobicContact CZ2-CG 3.81Å; P1233-Y1236 HydrophobicContact CB-CD1 4.38Å; P1233-Y1236 HydrophobicContact CB-CE1 3.84Å; P1233-Y1236 HydrophobicContact CB-CE2 4.3Å; P1233-Y1236 WeakPolarHBondContact CD-OH 3.46Å; P1233-Y1236 HydrophobicContact CG-CE1 3.8Å; P1233-Y1236 WeakPolarHBondContact O-CE2 3.39Å; P1233-Y1236 PolarHBondContact O-OH 3.36Å
1234L90.8Very high89.1Confident45 Ų4531.4 Ų31.424%0.23618%0.178CC..SBendtrans-79.3-46.6173.5-176.469.6000110.5A698 N699 Q1127A698-L1234 HydrophobicContact CB-CD2 4.39Å; A698-L1234 WeakPolarHBondContact O-CB 3.49Å; N699-L1234 PolarHBondContact OD1-N 3.48Å; Q1127-L1234 PolarHBondContact NE2-O 3.3Å
1235A90.5Very high88.4Confident12 Ų1232.5 Ų32.510%0.09918%0.181CC..SBendtrans-117.9151.1178.600000111L543 Y695 A698 N699L543-A1235 HydrophobicContact CD1-CB 4Å; Y695-A1235 HydrophobicContact CD1-CB 3.83Å; Y695-A1235 HydrophobicContact CE1-CB 4.2Å; A698-A1235 HydrophobicContact CB-CB 3.85Å; N699-A1235 PolarHBondContact ND2-O 2.76Å; N699-A1235 PolarHBondContact OD1-N 3.07Å; N699-A1235 PolarHBondContact OD1-O 2.99Å
1236Y90.6Very high87.5Confident1 Ų132.7 Ų32.70%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-124.3125.8-176.2-63.1-96.4000109.8I1148 F1159 P1233 Y1243 W1255I1148-Y1236 HydrophobicContact CB-CE1 4.2Å; I1148-Y1236 HydrophobicContact CD1-CE1 3.69Å; I1148-Y1236 WeakPolarHBondContact CD1-OH 3.24Å; I1148-Y1236 HydrophobicContact CG2-CD1 4.37Å; I1148-Y1236 HydrophobicContact CG2-CE1 3.94Å; F1159-Y1236 HydrophobicContact CB-CD1 3.87Å; F1159-Y1236 HydrophobicContact CB-CE1 4.24Å; F1159-Y1236 HydrophobicContact CD1-CD1 4.17Å; F1159-Y1236 HydrophobicContact CD2-CD1 4.08Å; F1159-Y1236 AromaticContact CG-CD1 3.75Å; F1159-Y1236 HydrophobicContact CG-CD1 3.75Å; P1233-Y1236 HydrophobicContact CB-CD1 4.38Å; P1233-Y1236 HydrophobicContact CB-CE1 3.84Å; P1233-Y1236 HydrophobicContact CB-CE2 4.3Å; P1233-Y1236 WeakPolarHBondContact CD-OH 3.46Å; P1233-Y1236 HydrophobicContact CG-CE1 3.8Å; P1233-Y1236 WeakPolarHBondContact O-CE2 3.39Å; P1233-Y1236 PolarHBondContact O-OH 3.36Å; Y1236-Y1243 PolarHBondContact O-N 2.97Å; Y1236-W1255 HydrophobicContact CD2-CH2 4.29Å; Y1236-W1255 AromaticContact CD2-CZ3 3.67Å; Y1236-W1255 HydrophobicContact CD2-CZ3 3.67Å; Y1236-W1255 HydrophobicContact CE2-CZ3 4.28Å; Y1236-W1255 HydrophobicContact CG-CZ3 4.24Å
1237H89Confident86.1Confident9 Ų935.9 Ų35.94%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-147.2142.8173.566.4127.4000110.3Y695 D938 G939 V940 F1159 G1239 K1241Y695-H1237 VanDerWaalsContact CB-NE2 3.26Å; Y695-H1237 WeakPolarHBondContact CB-NE2 3.2Å; Y695-H1237 HydrophobicContact CD1-CB 3.99Å; Y695-H1237 AromaticContact CD1-CD2 3.14Å; Y695-H1237 WeakPolarHBondContact CD1-CD2 3.25Å; Y695-H1237 AromaticContact CD1-CG 3.58Å; Y695-H1237 AromaticContact CD1-NE2 3.66Å; Y695-H1237 AromaticContact CD2-CE1 3.85Å; Y695-H1237 AromaticContact CD2-ND1 3.93Å; Y695-H1237 AromaticContact CD2-NE2 3.99Å; Y695-H1237 HydrophobicContact CE1-CB 3.4Å; Y695-H1237 VanDerWaalsContact CE1-CB 3.4Å; Y695-H1237 AromaticContact CE1-CD2 3.56Å; Y695-H1237 AromaticContact CE1-CG 3.52Å; Y695-H1237 HydrophobicContact CE2-CB 4.25Å; Y695-H1237 AromaticContact CG-CD2 3.38Å; Y695-H1237 AromaticContact CG-CE1 3.71Å; Y695-H1237 AromaticContact CG-CG 3.78Å; Y695-H1237 AromaticContact CG-ND1 3.99Å; Y695-H1237 AromaticContact CG-NE2 3.37Å; Y695-H1237 AromaticContact CZ-CG 3.73Å; D938-H1237 IonicContact OD1-CE1 2.69Å; G939-H1237 WeakPolarHBondContact CA-CE1 3.44Å; G939-H1237 WeakPolarHBondContact CA-NE2 3.4Å; G939-H1237 PolarHBondContact N-CE1 2.73Å; G939-H1237 PolarHBondContact N-NE2 2.84Å; V940-H1237 PolarHBondContact N-O 3.03Å; F1159-H1237 VanDerWaalsContact CE1-O 3.32Å; F1159-H1237 WeakPolarHBondContact CE1-O 3.38Å; H1237-G1239 VanDerWaalsContact C-N 3.31Å; H1237-K1241 VanDerWaalsContact CA-O 3.28Å; H1237-K1241 WeakPolarHBondContact CA-O 3.04Å; H1237-K1241 WeakPolarHBondContact CB-O 3.38Å
1238D82.9Confident84.7Confident16 Ų1643 Ų439%0.08623%0.228CC..  trans-89.62.8-178.357.927.7000113.9N942 W945 P1157 F1159 T1240 K1241 Y1243N942-D1238 VanDerWaalsContact ND2-CA 3.32Å; N942-D1238 WeakPolarHBondContact ND2-CA 3.35Å; N942-D1238 WeakPolarHBondContact ND2-CB 3.29Å; W945-D1238 PolarHBondContact NE1-O 2.98Å; P1157-D1238 HydrophobicContact CG-CB 4.25Å; F1159-D1238 HydrophobicContact CE1-CB 4.43Å; F1159-D1238 HydrophobicContact CZ-CB 4.17Å; D1238-T1240 WeakPolarHBondContact OD1-CA 3.4Å; D1238-T1240 PolarHBondContact OD1-N 3.3Å; D1238-T1240 PolarHBondContact OD1-OG1 3.29Å; D1238-K1241 PolarHBondContact N-O 2.74Å; D1238-K1241 PolarHBondContact OD1-N 3.35Å; D1238-Y1243 HydrophobicContact CB-CE2 4.32Å; D1238-Y1243 WeakPolarHBondContact OD2-CE2 3.41Å; D1238-Y1243 PolarHBondContact OD2-OH 2.91Å
1239G73.6Confident83.4Confident46 Ų4646.7 Ų46.747%0.47425%0.253SS..SBendtrans99-15.2-173.100000113.5D938 H1237D938-G1239 VanDerWaalsContact O-CA 3.22Å; D938-G1239 WeakPolarHBondContact O-CA 3.45Å; H1237-G1239 VanDerWaalsContact C-N 3.31Å
1240T76.4Confident82.2Confident114 Ų11450.2 Ų50.270%0.69928%0.278SS*.SBendtrans-120.5-39.4177.260.80000112.7D1238D1238-T1240 WeakPolarHBondContact OD1-CA 3.4Å; D1238-T1240 PolarHBondContact OD1-N 3.3Å; D1238-T1240 PolarHBondContact OD1-OG1 3.29Å
1241K82.1Confident81.1Confident114 Ų11453.4 Ų53.450%0.49630%0.295SS..  trans-122132.5-174.5-179.9173.9175.5-1780111.2H1237 D1238 Y1243H1237-K1241 VanDerWaalsContact CA-O 3.28Å; H1237-K1241 WeakPolarHBondContact CA-O 3.04Å; H1237-K1241 WeakPolarHBondContact CB-O 3.38Å; D1238-K1241 PolarHBondContact N-O 2.74Å; D1238-K1241 PolarHBondContact OD1-N 3.35Å; K1241-Y1243 HydrophobicContact CB-CE2 4.29Å; K1241-Y1243 HydrophobicContact CD-CE1 4.09Å; K1241-Y1243 HydrophobicContact CG-CE1 4.49Å; K1241-Y1243 HydrophobicContact CG-CE2 4.29Å; K1241-Y1243 WeakPolarHBondContact O-CE2 3.22Å
1242L83.2Confident80.1Confident55 Ų5553.5 Ų53.529%0.28830%0.297SS..EExtended strand (participates in β ladder)trans-74134164.1-176.636.5000110.1L543 Y695 P1244L543-L1242 HydrophobicContact CD2-CD1 4.03Å; L543-L1242 HydrophobicContact CD2-CD2 3.5Å; L543-L1242 HydrophobicContact CD2-CG 4.46Å; Y695-L1242 HydrophobicContact CD1-CD1 4.49Å; Y695-L1242 HydrophobicContact CE1-CD1 3.24Å; Y695-L1242 HydrophobicContact CE1-CG 4.3Å; Y695-L1242 WeakPolarHBondContact OH-CA 3.34Å; Y695-L1242 WeakPolarHBondContact OH-CB 3.23Å; Y695-L1242 WeakPolarHBondContact OH-CD1 3.11Å; Y695-L1242 WeakPolarHBondContact OH-CD2 3.38Å; Y695-L1242 WeakPolarHBondContact OH-CG 3.22Å; L1242-P1244 HydrophobicContact CG-CB 4.26Å; L1242-P1244 VanDerWaalsContact O-CD 3.24Å; L1242-P1244 WeakPolarHBondContact O-CD 3.39Å
1243Y85Confident79.1Confident17 Ų1759.2 Ų59.27%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-102.892.5162.5-58.9-91.7000107P1150 T1156 P1157 F1159 Y1236 D1238 K1241 W1255P1150-Y1243 HydrophobicContact CB-CD1 4.2Å; P1150-Y1243 HydrophobicContact CB-CG 4.16Å; P1150-Y1243 HydrophobicContact CG-CD1 3.71Å; P1150-Y1243 HydrophobicContact CG-CD2 4.29Å; P1150-Y1243 HydrophobicContact CG-CE1 4.31Å; P1150-Y1243 HydrophobicContact CG-CG 3.72Å; T1156-Y1243 HydrophobicContact CG2-CE1 3.98Å; P1157-Y1243 WeakPolarHBondContact CD-OH 3.19Å; P1157-Y1243 HydrophobicContact CG-CE2 4.28Å; F1159-Y1243 AromaticContact CE2-CD2 3.94Å; F1159-Y1243 HydrophobicContact CE2-CD2 3.94Å; F1159-Y1243 HydrophobicContact CE2-CE2 4.02Å; F1159-Y1243 AromaticContact CZ-CD2 3.78Å; F1159-Y1243 HydrophobicContact CZ-CD2 3.78Å; F1159-Y1243 AromaticContact CZ-CE2 3.75Å; F1159-Y1243 HydrophobicContact CZ-CE2 3.75Å; Y1236-Y1243 PolarHBondContact O-N 2.97Å; D1238-Y1243 HydrophobicContact CB-CE2 4.32Å; D1238-Y1243 WeakPolarHBondContact OD2-CE2 3.41Å; D1238-Y1243 PolarHBondContact OD2-OH 2.91Å; K1241-Y1243 HydrophobicContact CB-CE2 4.29Å; K1241-Y1243 HydrophobicContact CD-CE1 4.09Å; K1241-Y1243 HydrophobicContact CG-CE1 4.49Å; K1241-Y1243 HydrophobicContact CG-CE2 4.29Å; K1241-Y1243 WeakPolarHBondContact O-CE2 3.22Å; Y1243-W1255 VanDerWaalsContact O-CH2 3.26Å; Y1243-W1255 WeakPolarHBondContact O-CH2 3.48Å
1244P76Confident78.5Confident78 Ų7864 Ų6451%0.50635%0.349SS..PPolyproline II helixtrans-69.9154.8-174.229.8-35.2000110.7L1242 W1255L1242-P1244 HydrophobicContact CG-CB 4.26Å; L1242-P1244 VanDerWaalsContact O-CD 3.24Å; L1242-P1244 WeakPolarHBondContact O-CD 3.39Å; P1244-W1255 VanDerWaalsContact O-CZ2 3.23Å; P1244-W1255 WeakPolarHBondContact O-CZ2 3.43Å
1245K76.3Confident78.5Confident78 Ų7862.6 Ų62.634%0.33934%0.341SS..PPolyproline II helixtrans-58.1130.8174179.4173179.1178.70109.3F1077 L1247F1077-K1245 HydrophobicContact CD1-CG 4.36Å; F1077-K1245 HydrophobicContact CE1-CD 3.83Å; F1077-K1245 HydrophobicContact CE1-CG 3.68Å; F1077-K1245 HydrophobicContact CE2-CG 4.5Å; F1077-K1245 HydrophobicContact CZ-CB 4.31Å; F1077-K1245 HydrophobicContact CZ-CD 4.35Å; F1077-K1245 HydrophobicContact CZ-CG 3.77Å; K1245-L1247 PolarHBondContact O-N 3.29Å
1246P74.1Confident78.5Confident14 Ų1466 Ų669%0.09135%0.353CS..PPolyproline II helixtrans-58.8128.9177.617-26.1000111F1077 D1251 C1252 W1255F1077-P1246 HydrophobicContact CD2-CG 3.57Å; F1077-P1246 HydrophobicContact CE2-CG 3.82Å; F1077-P1246 HydrophobicContact CG-CG 4.25Å; P1246-D1251 HydrophobicContact CB-CB 3.62Å; P1246-C1252 HydrophobicContact CG-CB 4.42Å; P1246-W1255 HydrophobicContact CG-CG 4.42Å
1247L65.7Low78.7Confident134 Ų13466 Ų6670%0.70235%0.354SS*.SBendtrans-79.4-35.6-179.6-70.8169.3000111.5K1245K1245-L1247 PolarHBondContact O-N 3.29Å
1248Y67.8Low78.9Confident154 Ų15466.1 Ų66.160%0.60435%0.354SS*.SBendtrans-104.4142.5-178.7-57-75.7000111.1S1250 D1251 C1252Y1248-S1250 WeakPolarHBondContact CB-OG 3.37Å; Y1248-S1250 PolarHBondContact O-N 3.27Å; Y1248-S1250 VanDerWaalsContact O-N 3.11Å; Y1248-D1251 PolarHBondContact O-N 3.36Å; Y1248-C1252 PolarHBondContact O-SG 2.77Å
1249P69.9Low79.3Confident86 Ų8671.7 Ų71.756%0.55838%0.378SS*.THydrogen-bonded Turntrans-55.7-27.2175.1-27.235.1000114.2D1251 C1252P1249-D1251 VanDerWaalsContact C-N 3.33Å; P1249-D1251 PolarHBondContact O-N 3.27Å; P1249-C1252 WeakPolarHBondContact O-CB 3.42Å; P1249-C1252 PolarHBondContact O-N 3.2Å
1250S70.9Confident80Confident74 Ų7470.8 Ų70.852%0.51737%0.369SS..THydrogen-bonded Turntrans-60.5-40.1175.745.50000112.9Y1248 C1252Y1248-S1250 WeakPolarHBondContact CB-OG 3.37Å; Y1248-S1250 PolarHBondContact O-N 3.27Å; Y1248-S1250 VanDerWaalsContact O-N 3.11Å; S1250-C1252 VanDerWaalsContact C-N 3.26Å; S1250-C1252 PolarHBondContact O-N 3.26Å
1251D72.8Confident80.6Confident67 Ų6765.8 Ų65.836%0.35834%0.338SS..G310 helixtrans-79.4-16.9-172.2-50-13.7000111.2P1246 Y1248 P1249 N1253 E1254P1246-D1251 HydrophobicContact CB-CB 3.62Å; Y1248-D1251 PolarHBondContact O-N 3.36Å; P1249-D1251 VanDerWaalsContact C-N 3.33Å; P1249-D1251 PolarHBondContact O-N 3.27Å; D1251-N1253 PolarHBondContact O-N 3.46Å; D1251-E1254 PolarHBondContact O-N 3.38Å
1252C75.1Confident81.1Confident7 Ų761 Ų615%0.04732%0.318CS..G310 helixtrans-65.2-24.6178.1-61.90000112.6F1077 M1125 P1246 Y1248 P1249 S1250 E1254 W1255F1077-C1252 HydrophobicContact CB-CB 4.15Å; M1125-C1252 HydrophobicContact CE-CB 4.35Å; M1125-C1252 VanDerWaalsContact CE-SG 3.54Å; P1246-C1252 HydrophobicContact CG-CB 4.42Å; Y1248-C1252 PolarHBondContact O-SG 2.77Å; P1249-C1252 WeakPolarHBondContact O-CB 3.42Å; P1249-C1252 PolarHBondContact O-N 3.2Å; S1250-C1252 VanDerWaalsContact C-N 3.26Å; S1250-C1252 PolarHBondContact O-N 3.26Å; C1252-E1254 PolarHBondContact O-N 3.12Å; C1252-W1255 PolarHBondContact O-N 2.98Å
1253N75.9Confident81.4Confident121 Ų12161 Ų6165%0.64732%0.316SS*.G310 helixtrans-66.6-20.5-178.3-73.5-32.8000113.4D1251 K1256D1251-N1253 PolarHBondContact O-N 3.46Å; N1253-K1256 WeakPolarHBondContact O-CE 3.21Å
1254E81.1Confident81.3Confident101 Ų10163.5 Ų63.547%0.47233%0.33SS..G310 helixtrans-83.3-22.8178.9-56.4-165.7158.800112.8P1152 D1251 C1252 K1256P1152-E1254 WeakPolarHBondContact CD-OE2 3.27Å; D1251-E1254 PolarHBondContact O-N 3.38Å; C1252-E1254 PolarHBondContact O-N 3.12Å; E1254-K1256 PolarHBondContact O-N 3.36Å
1255W88.9Confident81.2Confident17 Ų1762.3 Ų62.36%0.06432%0.321CS..EExtended strand (participates in β ladder)trans-87108-175.3-78.972.2000111.8I1076 F1077 P1150 Y1236 Y1243 P1244 P1246 C1252I1076-W1255 HydrophobicContact CB-CB 4.07Å; I1076-W1255 HydrophobicContact CG1-CB 4.34Å; I1076-W1255 HydrophobicContact CG2-CE3 4.33Å; I1076-W1255 PolarHBondContact N-O 3.44Å; F1077-W1255 HydrophobicContact CD2-CB 4.07Å; F1077-W1255 HydrophobicContact CD2-CD2 4.4Å; F1077-W1255 HydrophobicContact CD2-CG 4.22Å; F1077-W1255 HydrophobicContact CE2-CB 4.33Å; F1077-W1255 AromaticContact CE2-CD2 3.82Å; F1077-W1255 HydrophobicContact CE2-CD2 3.82Å; F1077-W1255 AromaticContact CE2-CE3 3.72Å; F1077-W1255 HydrophobicContact CE2-CE3 3.72Å; F1077-W1255 HydrophobicContact CE2-CG 4.12Å; F1077-W1255 HydrophobicContact CE2-CZ3 4.24Å; P1150-W1255 HydrophobicContact CB-CD2 3.65Å; P1150-W1255 HydrophobicContact CB-CE3 3.48Å; P1150-W1255 VanDerWaalsContact CB-CE3 3.48Å; P1150-W1255 HydrophobicContact CB-CH2 3.33Å; P1150-W1255 HydrophobicContact CB-CZ2 3.48Å; P1150-W1255 VanDerWaalsContact CB-CZ2 3.48Å; P1150-W1255 HydrophobicContact CB-CZ3 3.33Å; P1150-W1255 HydrophobicContact CG-CH2 4.5Å; Y1236-W1255 HydrophobicContact CD2-CH2 4.29Å; Y1236-W1255 AromaticContact CD2-CZ3 3.67Å; Y1236-W1255 HydrophobicContact CD2-CZ3 3.67Å; Y1236-W1255 HydrophobicContact CE2-CZ3 4.28Å; Y1236-W1255 HydrophobicContact CG-CZ3 4.24Å; Y1243-W1255 VanDerWaalsContact O-CH2 3.26Å; Y1243-W1255 WeakPolarHBondContact O-CH2 3.48Å; P1244-W1255 VanDerWaalsContact O-CZ2 3.23Å; P1244-W1255 WeakPolarHBondContact O-CZ2 3.43Å; P1246-W1255 HydrophobicContact CG-CG 4.42Å; C1252-W1255 PolarHBondContact O-N 2.98Å
1256K92Very high80.3Confident83 Ų8366.3 Ų66.336%0.36137%0.368SS..EExtended strand (participates in β ladder)trans-133137.8-171.8-61.2-178.6-170.2175.80113.5D1073 L1074 I1148 R1149 N1253 E1254 L1258D1073-K1256 HydrophobicContact CB-CB 4.19Å; D1073-K1256 HydrophobicContact CB-CD 3.8Å; D1073-K1256 HydrophobicContact CB-CG 4.42Å; L1074-K1256 CarbonylContact O-C 3.58Å; L1074-K1256 VanDerWaalsContact O-CA 3.24Å; L1074-K1256 WeakPolarHBondContact O-CA 3.47Å; I1148-K1256 WeakPolarHBondContact CA-O 3.01Å; R1149-K1256 PolarHBondContact N-O 3.41Å; R1149-K1256 PolarHBondContact O-N 3.08Å; N1253-K1256 WeakPolarHBondContact O-CE 3.21Å; E1254-K1256 PolarHBondContact O-N 3.36Å; K1256-L1258 HydrophobicContact CB-CD2 4.49Å
1257L94.5Very high80.7Confident2 Ų268.9 Ų68.91%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-78.9115.4154.7-179.971.4000107.2F1034 D1073 L1074 I1076 L1128 I1131 P1146 I1148 C1261F1034-L1257 HydrophobicContact CD1-CD2 4.33Å; F1034-L1257 HydrophobicContact CE1-CD2 3.91Å; D1073-L1257 CarbonylContact C-O 3.57Å; D1073-L1257 WeakPolarHBondContact CA-O 3.26Å; L1074-L1257 HydrophobicContact CB-CB 4.31Å; L1074-L1257 HydrophobicContact CD1-CD2 4.45Å; L1074-L1257 PolarHBondContact N-O 3.04Å; L1074-L1257 PolarHBondContact O-N 3.32Å; I1076-L1257 HydrophobicContact CD1-CB 3.95Å; L1128-L1257 HydrophobicContact CD2-CB 4.18Å; L1128-L1257 HydrophobicContact CD2-CD2 3.82Å; I1131-L1257 HydrophobicContact CD1-CD2 3.99Å; P1146-L1257 HydrophobicContact CB-CD1 4.33Å; I1148-L1257 HydrophobicContact CD1-CD1 4.32Å; I1148-L1257 HydrophobicContact CG1-CD1 3.64Å; L1257-C1261 WeakPolarHBondContact CD1-SG 3.29Å
1258L93.6Very high81.4Confident10 Ų1065.5 Ų65.55%0.05237%0.365CS..  trans-66.1148.3-175.2-57-175.7000111C1147 R1149 I1158 Y1181 K1256 C1261C1147-L1258 HydrophobicContact CB-CB 4.1Å; C1147-L1258 HydrophobicContact CB-CD1 3.99Å; C1147-L1258 HydrophobicContact CB-CG 4.23Å; C1147-L1258 WeakPolarHBondContact O-CG 3.39Å; C1147-L1258 PolarHBondContact O-N 2.91Å; R1149-L1258 HydrophobicContact CB-CD2 4.14Å; I1158-L1258 HydrophobicContact CD1-CD1 4.03Å; I1158-L1258 HydrophobicContact CG1-CD1 4.39Å; I1158-L1258 HydrophobicContact CG2-CD1 4.25Å; Y1181-L1258 WeakPolarHBondContact OH-CD1 3.29Å; K1256-L1258 HydrophobicContact CB-CD2 4.49Å; L1258-C1261 PolarHBondContact O-SG 2.95Å
1259K91.4Very high82.2Confident134 Ų13460.6 Ų60.658%0.58335%0.352SS*.THydrogen-bonded Turntrans-57156.8175.965.8-174.4178-178.90112.3T1071 D1073T1071-K1259 WeakPolarHBondContact O-CD 3.36Å; D1073-K1259 PolarHBondContact OD1-N 3.24Å
1260G86.6Confident82.9Confident27 Ų2759.1 Ų59.128%0.27834%0.34SS..THydrogen-bonded Turntrans77.617.2175.300000115.2L1070 I1262 K1263L1070-G1260 PolarHBondContact O-N 3.47Å; G1260-I1262 PolarHBondContact O-N 3.34Å; G1260-K1263 WeakPolarHBondContact O-CE 3.3Å
1261C90.5Very high83.7Confident9 Ų958.1 Ų58.16%0.06133%0.329CS..SBendtrans-65-21.9174.7-71.60000113.9F1144 Q1145 C1147 L1257 L1258F1144-C1261 CarbonylContact C-O 3.59Å; F1144-C1261 WeakPolarHBondContact CA-O 3.25Å; F1144-C1261 WeakPolarHBondContact CD2-O 3.28Å; Q1145-C1261 PolarHBondContact N-O 3.12Å; Q1145-C1261 WeakPolarHBondContact O-CA 3.38Å; C1147-C1261 PolarHBondContact N-SG 3.09Å; L1257-C1261 WeakPolarHBondContact CD1-SG 3.29Å; L1258-C1261 PolarHBondContact O-SG 2.95Å
1262I92.7Very high84.4Confident12 Ų1257.5 Ų57.56%0.06233%0.327CS..EExtended strand (participates in β ladder)trans-123.5120.5177.5-62.9159.3000107.2W988 I1032 F1034 L1070 I1131 L1133 V1142 R1143 F1144 G1260W988-I1262 HydrophobicContact CH2-CG2 4.3Å; W988-I1262 HydrophobicContact CZ3-CG2 3.95Å; I1032-I1262 HydrophobicContact CD1-CD1 3.55Å; I1032-I1262 HydrophobicContact CG1-CD1 4.48Å; F1034-I1262 HydrophobicContact CZ-CD1 3.97Å; L1070-I1262 HydrophobicContact CD2-CB 4.09Å; L1070-I1262 HydrophobicContact CD2-CD1 4.39Å; L1070-I1262 HydrophobicContact CD2-CG2 4.43Å; I1131-I1262 HydrophobicContact CG2-CD1 4.15Å; L1133-I1262 HydrophobicContact CD1-CD1 4.14Å; L1133-I1262 HydrophobicContact CD1-CG1 4.32Å; L1133-I1262 HydrophobicContact CD1-CG2 4.47Å; L1133-I1262 HydrophobicContact CD2-CD1 4.21Å; V1142-I1262 HydrophobicContact CG1-CG2 3.8Å; R1143-I1262 WeakPolarHBondContact O-CA 3.47Å; F1144-I1262 HydrophobicContact CD2-CG1 3.8Å; F1144-I1262 HydrophobicContact CE2-CG1 4.31Å; G1260-I1262 PolarHBondContact O-N 3.34Å
1263K87.9Confident85.1Confident57 Ų5761.1 Ų61.125%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-125.5141.1-179.5-66.7178.7178.1-1790109.6R1143 G1260R1143-K1263 PolarHBondContact N-O 2.79Å; R1143-K1263 VanDerWaalsContact NH2-CD 3.32Å; R1143-K1263 PolarHBondContact O-N 2.65Å; G1260-K1263 WeakPolarHBondContact O-CE 3.3Å
1264L84.7Confident85.8Confident69 Ų6956.5 Ų56.536%0.36132%0.323SS..EExtended strand (participates in β ladder)trans-81.9124164.9-66.9163.1000107.5W988 V990 Q1141 V1142W988-L1264 HydrophobicContact CH2-CD1 3.85Å; W988-L1264 HydrophobicContact CH2-CD2 4.09Å; W988-L1264 HydrophobicContact CH2-CG 3.66Å; W988-L1264 HydrophobicContact CZ2-CD1 3.48Å; W988-L1264 VanDerWaalsContact CZ2-CD1 3.48Å; W988-L1264 HydrophobicContact CZ2-CD2 4.49Å; W988-L1264 HydrophobicContact CZ2-CG 3.86Å; V990-L1264 HydrophobicContact CB-CD1 4.24Å; V990-L1264 HydrophobicContact CG1-CD1 3.45Å; V990-L1264 VanDerWaalsContact CG1-CD1 3.45Å; V990-L1264 HydrophobicContact CG1-CD2 4.27Å; V990-L1264 HydrophobicContact CG1-CG 4.48Å; V990-L1264 HydrophobicContact CG2-CD1 3.73Å; V990-L1264 HydrophobicContact CG2-CD2 4.29Å; Q1141-L1264 WeakPolarHBondContact O-CA 3.48Å; V1142-L1264 HydrophobicContact CG2-CD2 4.12Å
1265V73.4Confident86.2Confident53 Ų5352.8 Ų52.832%0.32131%0.311SS..EExtended strand (participates in β ladder)trans-94.5131.2172.9-173.80000107Q1141 R1143Q1141-V1265 HydrophobicContact CB-CB 4.15Å; Q1141-V1265 HydrophobicContact CG-CB 4.23Å; Q1141-V1265 PolarHBondContact O-N 3.4Å; R1143-V1265 HydrophobicContact CB-CG2 3.51Å; R1143-V1265 HydrophobicContact CG-CG2 4.47Å
1266A57.9Low85.9Confident161 Ų16156.1 Ų56.1100%1.33133%0.333SS*.  trans-79.70-177.300000112.3

Retrieved 1,266 of 1,266 residues in 704.8 ms (Link to these results)

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