A0A077Z467_TRITR Loading...

Acetylcholine receptor DEG 3 protein

AlphaFold DB , UniProt , Accession A0A077Z467, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 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
1M86.2Confident89.1Confident48 Ų4878.4 Ų78.424%0.23640%0.399CS..  0-60.30-165.7172.280.500111.6D3 D4 L5 W63 Y68 I71 I74M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.25Å; M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 PolarHBondContact O-N 3.24Å; M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 PolarHBondContact O-N 3.4Å; M1-W63 HydrophobicContact CE-CZ2 4.46Å; M1-W63 VanDerWaalsContact SD-CD1 3.6Å; M1-W63 HydrophobicContact SD-CD2 4.33Å; M1-W63 HydrophobicContact SD-CG 4.05Å; M1-Y68 HydrophobicContact CB-CD1 3.56Å; M1-Y68 HydrophobicContact CB-CE1 3.6Å; M1-Y68 HydrophobicContact CB-CG 4.11Å; M1-Y68 HydrophobicContact CG-CD1 3.74Å; M1-Y68 HydrophobicContact CG-CD2 3.93Å; M1-Y68 HydrophobicContact CG-CE1 3.83Å; M1-Y68 HydrophobicContact CG-CE2 4Å; M1-Y68 HydrophobicContact CG-CG 3.78Å; M1-Y68 HydrophobicContact SD-CD1 4Å; M1-Y68 HydrophobicContact SD-CD2 3.85Å; M1-Y68 HydrophobicContact SD-CE2 4.49Å; M1-Y68 HydrophobicContact SD-CG 3.54Å; M1-Y68 VanDerWaalsContact SD-CG 3.54Å; M1-I71 HydrophobicContact CE-CG2 3.92Å; M1-I74 HydrophobicContact CE-CB 4.19Å; M1-I74 HydrophobicContact CE-CD1 3.8Å; M1-I74 HydrophobicContact CE-CG1 4.17Å; M1-I74 HydrophobicContact CE-CG2 3.09Å
2V88.2Confident89.4Confident60 Ų6079.3 Ų79.336%0.36441%0.406SS..Hα-helixtrans-55.8-48.5178.1179.70000111D4 L5 F6 I74V2-D4 PolarHBondContact O-N 3.47Å; V2-L5 PolarHBondContact O-N 2.89Å; V2-F6 HydrophobicContact CG1-CD2 3.66Å; V2-F6 HydrophobicContact CG1-CE2 4.05Å; V2-F6 VanDerWaalsContact O-CD2 3.29Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å; V2-F6 PolarHBondContact O-N 3.29Å; V2-I74 HydrophobicContact CG2-CD1 4.27Å
3D89.1Confident89.7Confident144 Ų14478.5 Ų78.577%0.7740%0.402SS*.Hα-helixtrans-61-28.9177.3-57.2-38.1000114.1M1 N7M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.25Å; D3-N7 PolarHBondContact O-N 3.27Å
4D90.2Very high89.8Confident70 Ų7088.9 Ų88.937%0.37443%0.433SS..Hα-helixtrans-76.4-44.5176.6179.145.1000111.3M1 V2 Y68M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 PolarHBondContact O-N 3.24Å; V2-D4 PolarHBondContact O-N 3.47Å; D4-Y68 WeakPolarHBondContact CB-OH 3.5Å; D4-Y68 VanDerWaalsContact CG-OH 3.29Å; D4-Y68 PolarHBondContact OD2-OH 2.93Å
5L89.9Confident89.9Confident0 Ų088.3 Ų88.30%044%0.437CS..Hα-helixtrans-64.6-41.4178.3-73.5175.6000112.5M1 V2 W63 I74M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 PolarHBondContact O-N 3.4Å; V2-L5 PolarHBondContact O-N 2.89Å; L5-W63 HydrophobicContact CD1-CD2 4.21Å; L5-W63 HydrophobicContact CD1-CE3 3.69Å; L5-W63 HydrophobicContact CD1-CZ3 4.16Å; L5-W63 HydrophobicContact CD2-CB 4.13Å; L5-W63 HydrophobicContact CD2-CE3 4.14Å; L5-I74 HydrophobicContact CD1-CD1 3.9Å
6F92.2Very high90.1Very high39 Ų3984.4 Ų84.417%0.17142%0.416CS..THydrogen-bonded Turntrans-9919.7-176.4-63.9-75.9000113.3V2 K8 Y11 L61 V76 M80 V81 L107V2-F6 HydrophobicContact CG1-CD2 3.66Å; V2-F6 HydrophobicContact CG1-CE2 4.05Å; V2-F6 VanDerWaalsContact O-CD2 3.29Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å; V2-F6 PolarHBondContact O-N 3.29Å; F6-K8 PolarHBondContact O-N 2.9Å; F6-Y11 AromaticContact CD1-CD1 3.8Å; F6-Y11 HydrophobicContact CD1-CD1 3.8Å; F6-Y11 HydrophobicContact CD1-CE1 4.19Å; F6-Y11 HydrophobicContact CD1-CG 4.42Å; F6-Y11 HydrophobicContact CE1-CD1 4.16Å; F6-Y11 HydrophobicContact CE1-CE1 4.1Å; F6-L61 HydrophobicContact CD1-CD2 4.23Å; F6-L61 HydrophobicContact CE1-CD2 3.71Å; F6-L61 HydrophobicContact CZ-CD2 3.98Å; F6-V76 HydrophobicContact CE2-CG1 3.97Å; F6-V76 HydrophobicContact CZ-CB 4.48Å; F6-V76 HydrophobicContact CZ-CG1 4.3Å; F6-V76 HydrophobicContact CZ-CG2 4.17Å; F6-M80 HydrophobicContact CD1-CB 4.26Å; F6-M80 WeakPolarHBondContact CD1-O 3.12Å; F6-M80 HydrophobicContact CE1-CB 3.97Å; F6-M80 WeakPolarHBondContact CE1-O 2.97Å; F6-M80 HydrophobicContact CZ-CB 4.28Å; F6-V81 HydrophobicContact CE1-CG1 3.82Å; F6-V81 HydrophobicContact CZ-CG1 3.86Å; F6-L107 HydrophobicContact CE2-CD1 4.4Å; F6-L107 HydrophobicContact CZ-CD1 3.95Å
7N90.9Very high90.3Very high78 Ų7879.5 Ų79.542%0.41739%0.392SS..  trans-58.8128.5173.1-169.9-14.4000109.8D3 S9 R10 Y11D3-N7 PolarHBondContact O-N 3.27Å; N7-S9 PolarHBondContact ND2-OG 3.04Å; N7-S9 PolarHBondContact O-N 3.02Å; N7-S9 PolarHBondContact OD1-N 3.37Å; N7-S9 PolarHBondContact OD1-OG 3.34Å; N7-R10 PolarHBondContact O-N 3.01Å; N7-Y11 PolarHBondContact O-N 2.73Å
8K86.3Confident90.3Very high200 Ų20076.1 Ų76.187%0.8738%0.376SS*.THydrogen-bonded Turntrans-58.7-22.3-175.4-67.3-175.8180178.20113.8F6 R10F6-K8 PolarHBondContact O-N 2.9Å; K8-R10 VanDerWaalsContact C-N 3.34Å
9S87Confident90.2Very high106 Ų10680 Ų8074%0.74139%0.386SS*.THydrogen-bonded Turntrans-75.1-22.8174.857.70000113.5N7N7-S9 PolarHBondContact ND2-OG 3.04Å; N7-S9 PolarHBondContact O-N 3.02Å; N7-S9 PolarHBondContact OD1-N 3.37Å; N7-S9 PolarHBondContact OD1-OG 3.34Å
10R87.5Confident90.2Very high97 Ų9783.3 Ų83.337%0.36640%0.398SS..THydrogen-bonded Turntrans-109.7-38.7-172.8-176.6178.3170.4-174.7-6.1113N7 K8 F60 Y62N7-R10 PolarHBondContact O-N 3.01Å; K8-R10 VanDerWaalsContact C-N 3.34Å; R10-F60 PolarHBondContact NE-O 3.48Å; R10-F60 PolarHBondContact NH2-O 3.31Å; R10-Y62 PolarHBondContact NH2-O 3.42Å
11Y93.1Very high90.1Very high20 Ų2086.2 Ų86.28%0.07842%0.415CS..  trans-119.6128-174.6-165.9-103.7000112.2F6 N7 D58 F60 L61 M80 V81 W82F6-Y11 AromaticContact CD1-CD1 3.8Å; F6-Y11 HydrophobicContact CD1-CD1 3.8Å; F6-Y11 HydrophobicContact CD1-CE1 4.19Å; F6-Y11 HydrophobicContact CD1-CG 4.42Å; F6-Y11 HydrophobicContact CE1-CD1 4.16Å; F6-Y11 HydrophobicContact CE1-CE1 4.1Å; N7-Y11 PolarHBondContact O-N 2.73Å; Y11-D58 WeakPolarHBondContact CE2-OD2 3.4Å; Y11-D58 PolarHBondContact OH-OD2 3.47Å; Y11-F60 HydrophobicContact CD2-CB 3.71Å; Y11-F60 HydrophobicContact CE2-CB 4.09Å; Y11-L61 HydrophobicContact CD1-CD2 4.4Å; Y11-L61 HydrophobicContact CD2-CD2 3.59Å; Y11-L61 HydrophobicContact CD2-CG 3.95Å; Y11-L61 HydrophobicContact CE1-CD2 4.39Å; Y11-L61 HydrophobicContact CE2-CD1 3.95Å; Y11-L61 HydrophobicContact CE2-CD2 3.59Å; Y11-L61 HydrophobicContact CE2-CG 3.51Å; Y11-L61 HydrophobicContact CG-CD2 4Å; Y11-M80 VanDerWaalsContact CE1-O 3.26Å; Y11-M80 WeakPolarHBondContact CE1-O 3.49Å; Y11-V81 WeakPolarHBondContact OH-CA 3.34Å; Y11-W82 PolarHBondContact OH-N 3.44Å
12N92.5Very high90.2Very high90 Ų9089.6 Ų89.648%0.48144%0.438SS..  trans-128.6114.9173-173-21.2000109.8R14 V15N12-R14 PolarHBondContact O-N 3.22Å; N12-R14 PolarHBondContact OD1-N 3.13Å; N12-V15 HydrophobicContact CB-CG2 4.23Å; N12-V15 PolarHBondContact O-N 3.38Å
13I92.7Very high90.4Very high69 Ų6989 Ų8935%0.35444%0.435SS..THydrogen-bonded Turntrans-58-20.9-179.1-171163000114.4V15 H79 V81 W82I13-V15 VanDerWaalsContact C-N 3.34Å; I13-H79 WeakPolarHBondContact CD1-O 3Å; I13-V81 VanDerWaalsContact CD1-O 3.3Å; I13-V81 WeakPolarHBondContact CD1-O 3.46Å; I13-V81 WeakPolarHBondContact CG1-O 3.33Å; I13-W82 VanDerWaalsContact O-CD1 3.25Å
14R90.9Very high90.5Very high223 Ų22384.4 Ų84.484%0.84241%0.412SS*.THydrogen-bonded Turntrans-84.7-7.5-176.3-59.5-177.9-176173.90.5113.7N12N12-R14 PolarHBondContact O-N 3.22Å; N12-R14 PolarHBondContact OD1-N 3.13Å
15V91.8Very high90.7Very high81 Ų8181.3 Ų81.349%0.49140%0.395SS..SBendtrans-110.4138.5-172.2-174.90000109.5N12 I13 W82N12-V15 HydrophobicContact CB-CG2 4.23Å; N12-V15 PolarHBondContact O-N 3.38Å; I13-V15 VanDerWaalsContact C-N 3.34Å; V15-W82 VanDerWaalsContact O-CD1 3.27Å
16R93.3Very high90.9Very high26 Ų2683.9 Ų83.910%0.09841%0.409CS..  trans-55.3144.4174.5-71.8-166.7-61.6128.35.1110.3V18 I21 T23 W82 F166 Q170R16-V18 HydrophobicContact CB-CG2 4.1Å; R16-V18 PolarHBondContact O-N 3.42Å; R16-I21 PolarHBondContact NH2-O 3.01Å; R16-T23 PolarHBondContact NH1-O 3.49Å; R16-W82 HydrophobicContact CG-CZ2 3.96Å; R16-F166 HydrophobicContact CG-CE1 4.29Å; R16-F166 HydrophobicContact CG-CZ 4.45Å; R16-Q170 PolarHBondContact NH1-O 3.22Å
17P92.7Very high91Very high1 Ų182 Ų821%0.00640%0.401CS..SBendtrans-84.847.5-167.738.2-40.3000112.7T25 D58 Q59 W82P17-T25 HydrophobicContact CG-CG2 4.16Å; P17-D58 HydrophobicContact CB-CB 3.85Å; P17-D58 WeakPolarHBondContact CB-OD2 3.37Å; P17-Q59 PolarHBondContact O-N 3.27Å; P17-W82 VanDerWaalsContact CD-CE3 3.47Å; P17-W82 HydrophobicContact CG-CD2 4.25Å; P17-W82 HydrophobicContact CG-CE3 3.67Å; P17-W82 HydrophobicContact CG-CZ3 3.86Å
18V91.5Very high91.1Very high17 Ų1778.3 Ų78.310%0.10338%0.382CS..  trans-125.2136.1-177.4-65.50000110.8R16 T23 T25 F60R16-V18 HydrophobicContact CB-CG2 4.1Å; R16-V18 PolarHBondContact O-N 3.42Å; V18-T23 HydrophobicContact CG1-CG2 4.2Å; V18-T25 WeakPolarHBondContact CG1-OG1 3.45Å; V18-F60 WeakPolarHBondContact O-CZ 3.43Å
19R88.8Confident91.5Very high151 Ų15169.1 Ų69.157%0.5734%0.342SS*.SBendtrans-76.2-33.4176.4-68.7-179.6-176-172.75.2112.5Q59 F60R19-Q59 HydrophobicContact CG-CB 4.15Å; R19-Q59 PolarHBondContact NH2-O 2.9Å; R19-F60 HydrophobicContact CG-CE1 4.11Å; R19-F60 HydrophobicContact CG-CZ 4.29Å
20K90Very high91.8Very high146 Ų14667 Ų6764%0.63532%0.318SS*.SBendtrans-107.6128.3175.1-67.2-178.8-179.71790108.8T22 T23K20-T22 PolarHBondContact O-N 3.5Å; K20-T23 WeakPolarHBondContact O-CB 3.44Å; K20-T23 PolarHBondContact O-N 3.4Å
21I87.7Confident92.1Very high145 Ų14562.8 Ų62.874%0.74430%0.302SS*.THydrogen-bonded Turntrans-61.3-28.4-178.3-165.1166.4000113R16 T23R16-I21 PolarHBondContact NH2-O 3.01Å; I21-T23 PolarHBondContact O-N 3.01Å
22T89Confident92.2Very high118 Ų11862.9 Ų62.972%0.72430%0.304SS*.THydrogen-bonded Turntrans-74.4-9.5178.457.80000113.6K20K20-T22 PolarHBondContact O-N 3.5Å
23T91.2Very high92.4Very high48 Ų4858.7 Ų58.729%0.29428%0.282SS..SBendtrans-84.7128178.3-580000110.1R16 V18 K20 I21R16-T23 PolarHBondContact NH1-O 3.49Å; V18-T23 HydrophobicContact CG1-CG2 4.2Å; K20-T23 WeakPolarHBondContact O-CB 3.44Å; K20-T23 PolarHBondContact O-N 3.4Å; I21-T23 PolarHBondContact O-N 3.01Å
24T92.5Very high92.5Very high48 Ų4859.1 Ų59.129%0.29428%0.28SS..  trans-75.5140.3174.5-48.80000110.6S168 T169 D172T24-S168 WeakPolarHBondContact CG2-O 3.39Å; T24-T169 WeakPolarHBondContact CA-O 3.14Å; T24-T169 WeakPolarHBondContact CB-O 3.34Å; T24-T169 WeakPolarHBondContact CG2-O 3.4Å; T24-T169 PolarHBondContact OG1-O 3.49Å; T24-D172 HydrophobicContact CG2-CB 3.7Å
25T93.2Very high92.8Very high4 Ų451.3 Ų51.33%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-90.7107.1171.5-55.70000108.9P17 V18 V27 W56 W82 Q170 I171 D172P17-T25 HydrophobicContact CG-CG2 4.16Å; V18-T25 WeakPolarHBondContact CG1-OG1 3.45Å; T25-V27 HydrophobicContact CG2-CG2 4.41Å; T25-W56 HydrophobicContact CG2-CB 4.47Å; T25-W82 HydrophobicContact CG2-CH2 4.09Å; T25-W82 HydrophobicContact CG2-CZ3 4.04Å; T25-Q170 PolarHBondContact N-O 3.35Å; T25-I171 WeakPolarHBondContact O-CA 3.22Å; T25-D172 PolarHBondContact O-N 3Å
26N93.6Very high93Very high54 Ų5447.5 Ų47.529%0.28923%0.23SC..EExtended strand (participates in β ladder)trans-81.3124.1177.5-63.9-8000109.7Y118 L119 D172 F174N26-Y118 PolarHBondContact ND2-O 3.28Å; N26-L119 HydrophobicContact CB-CD2 4.18Å; N26-L119 WeakPolarHBondContact O-CD2 3.4Å; N26-D172 WeakPolarHBondContact CA-O 3.32Å; N26-F174 HydrophobicContact CB-CD2 4.4Å; N26-F174 HydrophobicContact CB-CE2 4.27Å
27V94.6Very high93Very high0 Ų050.7 Ų50.70%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3114.6178.9-176.70000108.6T25 V29 Q54 W56 P84 I171 D172 Y173 F174T25-V27 HydrophobicContact CG2-CG2 4.41Å; V27-V29 HydrophobicContact CG1-CG2 4.17Å; V27-Q54 HydrophobicContact CG1-CB 4.34Å; V27-W56 HydrophobicContact CG2-CB 4.24Å; V27-P84 HydrophobicContact CG1-CG 4.26Å; V27-P84 HydrophobicContact CG2-CB 4.05Å; V27-P84 HydrophobicContact CG2-CG 4.23Å; V27-I171 HydrophobicContact CG2-CG2 3.94Å; V27-D172 PolarHBondContact N-O 3.34Å; V27-Y173 HydrophobicContact CB-CD1 3.84Å; V27-Y173 HydrophobicContact CB-CE1 3.93Å; V27-Y173 HydrophobicContact CG1-CD1 3.95Å; V27-Y173 HydrophobicContact CG1-CE1 3.84Å; V27-Y173 HydrophobicContact CG2-CE1 4.36Å; V27-Y173 CarbonylContact O-C 3.51Å; V27-Y173 WeakPolarHBondContact O-CA 3.34Å; V27-F174 PolarHBondContact O-N 2.9Å
28S94.1Very high93Very high1 Ų154 Ų541%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-89.5125.3172.1-175.20000109.7Q54 I55 F174S28-Q54 CarbonylContact O-C 3.58Å; S28-Q54 WeakPolarHBondContact O-CA 3.48Å; S28-I55 PolarHBondContact N-O 2.84Å; S28-I55 PolarHBondContact O-N 3.49Å; S28-F174 CarbonylContact C-O 3.59Å; S28-F174 VanDerWaalsContact CA-O 3.31Å; S28-F174 WeakPolarHBondContact CA-O 3.3Å
29V94.6Very high93.1Very high7 Ų753.7 Ų53.74%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-110.9120.9179.8-172.10000109.2V27 M31 T52 V53 Q54 Y173 F174 Y176 L215V27-V29 HydrophobicContact CG1-CG2 4.17Å; V29-M31 HydrophobicContact CG1-CE 3.65Å; V29-M31 HydrophobicContact CG1-CG 4.14Å; V29-T52 HydrophobicContact CG1-CG2 4.01Å; V29-V53 WeakPolarHBondContact CA-O 3.4Å; V29-Q54 HydrophobicContact CG2-CG 4.39Å; V29-Y173 HydrophobicContact CG2-CD1 3.83Å; V29-Y173 HydrophobicContact CG2-CE1 4.43Å; V29-F174 PolarHBondContact N-O 3.05Å; V29-Y176 WeakPolarHBondContact O-CB 3.46Å; V29-Y176 PolarHBondContact O-N 3.43Å; V29-L215 HydrophobicContact CB-CD1 3.72Å; V29-L215 HydrophobicContact CG1-CD1 4.48Å; V29-L215 HydrophobicContact CG2-CD1 3.69Å
30R93.4Very high93.3Very high62 Ų6249.2 Ų49.223%0.23425%0.252CS..EExtended strand (participates in β ladder)trans-105.4131.7168.7169.4172.4-178.71665.5108.4N32 V53 Y176 F181 E183R30-N32 PolarHBondContact NE-OD1 3.16Å; R30-V53 HydrophobicContact CB-CB 4.14Å; R30-V53 PolarHBondContact N-O 2.94Å; R30-V53 PolarHBondContact O-N 2.8Å; R30-Y176 HydrophobicContact CB-CD1 4.4Å; R30-Y176 HydrophobicContact CB-CD2 4.42Å; R30-Y176 HydrophobicContact CB-CG 3.92Å; R30-F181 HydrophobicContact CG-CD2 3.77Å; R30-F181 HydrophobicContact CG-CE2 3.68Å; R30-F181 VanDerWaalsContact NE-CD2 3.33Å; R30-E183 IonicContact NH2-OE1 3.19Å; R30-E183 IonicContact NH2-OE2 3.32Å; R30-E183 PolarHBondContact NH2-OE2 3.04Å
31M94.1Very high93.3Very high8 Ų843.4 Ų43.44%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-121.3136.2176.5-67.9-177.6-16700109.2V29 M50 F161 V180 F181V29-M31 HydrophobicContact CG1-CE 3.65Å; V29-M31 HydrophobicContact CG1-CG 4.14Å; M31-M50 HydrophobicContact CB-CE 3.74Å; M31-M50 HydrophobicContact CG-CE 4.22Å; M31-M50 HydrophobicContact SD-CE 3.97Å; M31-F161 HydrophobicContact CE-CD1 4.38Å; M31-F161 HydrophobicContact CE-CD2 3.4Å; M31-F161 VanDerWaalsContact CE-CD2 3.4Å; M31-F161 HydrophobicContact CE-CE1 4.41Å; M31-F161 HydrophobicContact CE-CE2 3.42Å; M31-F161 VanDerWaalsContact CE-CE2 3.42Å; M31-F161 HydrophobicContact CE-CG 3.88Å; M31-F161 HydrophobicContact CE-CZ 3.95Å; M31-F161 HydrophobicContact SD-CD2 4.37Å; M31-F161 HydrophobicContact SD-CE2 3.93Å; M31-V180 HydrophobicContact CB-CG1 4.26Å; M31-V180 WeakPolarHBondContact O-CG1 3.38Å; M31-F181 PolarHBondContact O-N 2.96Å
32N95Very high93.3Very high21 Ų2144 Ų4411%0.11222%0.22CC..EExtended strand (participates in β ladder)trans-122.8129.4170.5-50.8-12.1000108.1R30 M50 W51 F181R30-N32 PolarHBondContact NE-OD1 3.16Å; N32-M50 CarbonylContact O-C 3.53Å; N32-M50 VanDerWaalsContact O-CA 3.29Å; N32-M50 WeakPolarHBondContact O-CA 3.3Å; N32-W51 HydrophobicContact CB-CB 4.29Å; N32-W51 PolarHBondContact N-O 3.42Å; N32-W51 PolarHBondContact O-N 3.21Å; N32-F181 VanDerWaalsContact CA-O 3.28Å; N32-F181 WeakPolarHBondContact CA-O 3.43Å; N32-F181 HydrophobicContact CB-CB 4.22Å; N32-F181 VanDerWaalsContact OD1-CB 3.29Å; N32-F181 WeakPolarHBondContact OD1-CB 3.49Å; N32-F181 WeakPolarHBondContact OD1-CD2 3.41Å
33L96.4Very high93.4Very high2 Ų241.3 Ų41.31%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-85.9123.1175.3179.465000109.1I36 L48 M50 V180 F181 L182 Y185 L193 F196L33-I36 HydrophobicContact CD2-CG1 4.36Å; L33-L48 HydrophobicContact CD1-CB 4.2Å; L33-L48 HydrophobicContact CD1-CD1 4.45Å; L33-L48 HydrophobicContact CD1-CD2 4.2Å; L33-M50 HydrophobicContact CD1-CG 3.93Å; L33-V180 HydrophobicContact CB-CG1 4.28Å; L33-F181 PolarHBondContact N-O 3.22Å; L33-L182 HydrophobicContact CB-CD2 3.84Å; L33-L182 HydrophobicContact CD2-CD2 4.13Å; L33-Y185 HydrophobicContact CD2-CD2 3.72Å; L33-Y185 HydrophobicContact CD2-CE2 3.7Å; L33-Y185 HydrophobicContact CG-CD2 3.82Å; L33-Y185 HydrophobicContact CG-CE2 4.17Å; L33-L193 HydrophobicContact CD2-CD2 3.84Å; L33-F196 HydrophobicContact CB-CD1 4.13Å; L33-F196 HydrophobicContact CB-CE1 4.11Å; L33-F196 HydrophobicContact CD1-CE1 4.33Å; L33-F196 HydrophobicContact CD2-CD1 3.93Å; L33-F196 HydrophobicContact CD2-CE1 4.19Å; L33-F196 HydrophobicContact CG-CE1 4.44Å
34Y95.3Very high93.5Very high79 Ų7941.3 Ų41.331%0.3120%0.202SC..EExtended strand (participates in β ladder)trans-93.5-49.5176.1-175.2-96000111.2Y49 W51 D184 Y185 I186Y34-Y49 WeakPolarHBondContact CB-O 3.38Å; Y34-Y49 AromaticContact CD1-CD1 3.37Å; Y34-Y49 HydrophobicContact CD1-CD1 3.37Å; Y34-Y49 AromaticContact CD1-CE1 3.68Å; Y34-Y49 HydrophobicContact CD1-CE1 3.68Å; Y34-Y49 HydrophobicContact CD1-CG 4.38Å; Y34-Y49 HydrophobicContact CE1-CD1 4.05Å; Y34-Y49 HydrophobicContact CE1-CE1 4.05Å; Y34-Y49 HydrophobicContact CG-CD1 4.06Å; Y34-Y49 HydrophobicContact CG-CE1 4.25Å; Y34-Y49 PolarHBondContact N-O 3.46Å; Y34-W51 AromaticContact CD2-NE1 3.92Å; Y34-D184 HydrophobicContact CD2-CB 4.1Å; Y34-D184 HydrophobicContact CE2-CB 4.42Å; Y34-Y185 WeakPolarHBondContact O-CA 3.26Å; Y34-I186 HydrophobicContact CE1-CD1 3.99Å; Y34-I186 PolarHBondContact O-N 3.23Å
35M95.6Very high93.6Very high58 Ų5839.4 Ų39.429%0.28619%0.191SC..EExtended strand (participates in β ladder)trans-157.9148.4179.2-170.2178.670.400110.6N37 Y49 I186M35-N37 HydrophobicContact CE-CB 4.39Å; M35-Y49 PolarHBondContact N-O 3.1Å; M35-Y49 PolarHBondContact O-N 2.86Å; M35-I186 HydrophobicContact CG-CB 4.43Å
36I96.1Very high93.7Very high2 Ų239.2 Ų39.21%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-83.9114.3163.9-60.6169.3000106.1L33 I39 L48 Y185 H188 L221L33-I36 HydrophobicContact CD2-CG1 4.36Å; I36-I39 HydrophobicContact CG2-CD1 3.57Å; I36-I39 HydrophobicContact CG2-CG1 3.77Å; I36-L48 HydrophobicContact CB-CD2 4.18Å; I36-L48 HydrophobicContact CG1-CD2 3.79Å; I36-L48 HydrophobicContact CG2-CD2 4.11Å; I36-Y185 HydrophobicContact CD1-CE2 4.41Å; I36-Y185 HydrophobicContact CG1-CE2 4.25Å; I36-H188 HydrophobicContact CB-CB 4.45Å; I36-H188 HydrophobicContact CD1-CB 4.4Å; I36-H188 PolarHBondContact O-CD2 2.97Å; I36-L221 HydrophobicContact CD1-CD2 3.55Å
37N93.3Very high93.8Very high92 Ų9237.3 Ų37.349%0.49218%0.18SC..EExtended strand (participates in β ladder)trans-84.2-44.2-173.1-177.885.2000112.6M35 V47M35-N37 HydrophobicContact CE-CB 4.39Å; N37-V47 HydrophobicContact CB-CB 4.22Å; N37-V47 HydrophobicContact CB-CG1 3.94Å; N37-V47 PolarHBondContact N-O 3.49Å
38D93.5Very high93.9Very high72 Ų7237.3 Ų37.339%0.38518%0.18SC..EExtended strand (participates in β ladder)trans-155.3141.8-178.9-170.822.1000110.2V47D38-V47 HydrophobicContact CB-CB 4.13Å; D38-V47 HydrophobicContact CB-CG2 4.13Å; D38-V47 PolarHBondContact N-O 2.89Å; D38-V47 PolarHBondContact O-N 3.43Å
39I93.8Very high94Very high9 Ų940.7 Ų40.75%0.04619%0.193CC..EExtended strand (participates in β ladder)trans-129107.4171.3-68.2164.1000105.3I36 V46 M145 W191 L221I36-I39 HydrophobicContact CG2-CD1 3.57Å; I36-I39 HydrophobicContact CG2-CG1 3.77Å; I39-V46 HydrophobicContact CG1-CG1 4.16Å; I39-V46 HydrophobicContact CG1-CG2 4.29Å; I39-M145 HydrophobicContact CG2-CE 3.64Å; I39-W191 HydrophobicContact CD1-CB 4.3Å; I39-W191 HydrophobicContact CD1-CD2 3.99Å; I39-W191 HydrophobicContact CD1-CG 3.63Å; I39-W191 HydrophobicContact CG2-CZ2 4.02Å; I39-L221 HydrophobicContact CD1-CD1 3.51Å; I39-L221 HydrophobicContact CG1-CD1 4.49Å
40N92.7Very high94Very high57 Ų5740.4 Ų40.431%0.30519%0.191SC..EExtended strand (participates in β ladder)trans-105104-179.5-171.5-42.8000108.7R42 S43 Q44 T45N40-R42 VanDerWaalsContact C-N 3.34Å; N40-R42 WeakPolarHBondContact OD1-CB 3.49Å; N40-R42 PolarHBondContact OD1-N 2.96Å; N40-R42 VanDerWaalsContact OD1-N 3.15Å; N40-S43 VanDerWaalsContact CB-OG 3.31Å; N40-S43 WeakPolarHBondContact CB-OG 3.24Å; N40-S43 PolarHBondContact OD1-N 3.48Å; N40-S43 PolarHBondContact OD1-OG 2.91Å; N40-S43 VanDerWaalsContact OD1-OG 3.13Å; N40-Q44 WeakPolarHBondContact O-CA 3.27Å; N40-Q44 PolarHBondContact O-N 3.35Å; N40-T45 PolarHBondContact N-O 3.43Å; N40-T45 PolarHBondContact O-N 3.48Å
41E89.7Confident94.1Very high24 Ų2442.8 Ų42.811%0.11220%0.2CC..THydrogen-bonded Turntrans-66.9-38.6-178.8-6091.1156.700111.1Q44 R223 P283E41-Q44 WeakPolarHBondContact O-CG 3.48Å; E41-Q44 PolarHBondContact O-N 3.32Å; E41-R223 IonicContact OE1-CZ 3.84Å; E41-R223 VanDerWaalsContact OE1-CZ 3.25Å; E41-R223 IonicContact OE1-NH1 3.61Å; E41-R223 PolarHBondContact OE1-NH1 2.91Å; E41-R223 IonicContact OE1-NH2 3.62Å; E41-R223 PolarHBondContact OE1-NH2 3.44Å; E41-P283 WeakPolarHBondContact O-CB 3.41Å
42R88.5Confident94.1Very high157 Ų15742.5 Ų42.559%0.59220%0.199SC*.THydrogen-bonded Turntrans-62.4-46.7-179.7-177.9178.8177.1173.9-1.2112.6N40 Q44N40-R42 VanDerWaalsContact C-N 3.34Å; N40-R42 WeakPolarHBondContact OD1-CB 3.49Å; N40-R42 PolarHBondContact OD1-N 2.96Å; N40-R42 VanDerWaalsContact OD1-N 3.15Å; R42-Q44 VanDerWaalsContact C-N 3.32Å
43S90.7Very high94.1Very high62 Ų6242.5 Ų42.543%0.43420%0.2SC..THydrogen-bonded Turntrans-86.4-3.717761.10000113.5N40 T45N40-S43 VanDerWaalsContact CB-OG 3.31Å; N40-S43 WeakPolarHBondContact CB-OG 3.24Å; N40-S43 PolarHBondContact OD1-N 3.48Å; N40-S43 PolarHBondContact OD1-OG 2.91Å; N40-S43 VanDerWaalsContact OD1-OG 3.13Å; S43-T45 VanDerWaalsContact O-CG2 3.29Å; S43-T45 WeakPolarHBondContact O-CG2 3.33Å; S43-T45 PolarHBondContact O-N 2.88Å; S43-T45 PolarHBondContact OG-OG1 3.35Å
44Q92.6Very high94Very high48 Ų4842.5 Ų42.522%0.22420%0.2CC..THydrogen-bonded Turntrans55.647.4-177-63-170.8-37.100112.5N40 E41 R42 T142 C143 P283N40-Q44 WeakPolarHBondContact O-CA 3.27Å; N40-Q44 PolarHBondContact O-N 3.35Å; E41-Q44 WeakPolarHBondContact O-CG 3.48Å; E41-Q44 PolarHBondContact O-N 3.32Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; Q44-T142 WeakPolarHBondContact O-CA 3.42Å; Q44-C143 CarbonylContact C-O 3.45Å; Q44-C143 WeakPolarHBondContact CB-O 3.35Å; Q44-C143 PolarHBondContact O-N 3.36Å; Q44-P283 HydrophobicContact CG-CB 4.19Å
45T94.6Very high94Very high8 Ų839 Ų395%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-129.1141.6-17664.80000112.8N40 S43 L92 F141N40-T45 PolarHBondContact N-O 3.43Å; N40-T45 PolarHBondContact O-N 3.48Å; S43-T45 VanDerWaalsContact O-CG2 3.29Å; S43-T45 WeakPolarHBondContact O-CG2 3.33Å; S43-T45 PolarHBondContact O-N 2.88Å; S43-T45 PolarHBondContact OG-OG1 3.35Å; T45-L92 HydrophobicContact CG2-CD1 3.25Å; T45-F141 WeakPolarHBondContact CA-O 3.5Å
46V96.1Very high93.9Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-118.9136.2173.8-179.90000109.4I39 L48 K140 F141 C143 M145 L219I39-V46 HydrophobicContact CG1-CG1 4.16Å; I39-V46 HydrophobicContact CG1-CG2 4.29Å; V46-L48 HydrophobicContact CG1-CD2 3.7Å; V46-L48 HydrophobicContact CG1-CG 3.95Å; V46-K140 WeakPolarHBondContact O-CA 3.33Å; V46-F141 HydrophobicContact CB-CD1 4.4Å; V46-F141 HydrophobicContact CB-CE1 3.81Å; V46-F141 HydrophobicContact CB-CE2 4.24Å; V46-F141 HydrophobicContact CB-CZ 3.72Å; V46-F141 HydrophobicContact CG1-CE1 3.85Å; V46-F141 HydrophobicContact CG1-CZ 3.87Å; V46-F141 HydrophobicContact CG2-CZ 4.41Å; V46-F141 PolarHBondContact N-O 3.46Å; V46-F141 WeakPolarHBondContact O-CD1 3.31Å; V46-F141 PolarHBondContact O-N 2.93Å; V46-C143 HydrophobicContact CG2-CB 3.91Å; V46-M145 HydrophobicContact CG2-CE 3.39Å; V46-L219 HydrophobicContact CG1-CD2 4.37Å
47V96.2Very high93.6Very high15 Ų1538.7 Ų38.79%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-116.1115.5175.4-172.90000108.8N37 D38 I138 Y139 K140N37-V47 HydrophobicContact CB-CB 4.22Å; N37-V47 HydrophobicContact CB-CG1 3.94Å; N37-V47 PolarHBondContact N-O 3.49Å; D38-V47 HydrophobicContact CB-CB 4.13Å; D38-V47 HydrophobicContact CB-CG2 4.13Å; D38-V47 PolarHBondContact N-O 2.89Å; D38-V47 PolarHBondContact O-N 3.43Å; V47-I138 HydrophobicContact CG1-CG2 3.5Å; V47-I138 VanDerWaalsContact CG1-CG2 3.5Å; V47-Y139 WeakPolarHBondContact CA-O 3.37Å; V47-K140 HydrophobicContact CG2-CB 4.17Å; V47-K140 HydrophobicContact CG2-CD 4.25Å; V47-K140 HydrophobicContact CG2-CG 3.91Å
48L96.4Very high93.6Very high0 Ų034.3 Ų34.30%016%0.16CC..EExtended strand (participates in β ladder)trans-112.6138.8177.8-57.6-180000110.8L33 I36 V46 M50 I138 Y139 F141 M159 F196 L219L33-L48 HydrophobicContact CD1-CB 4.2Å; L33-L48 HydrophobicContact CD1-CD1 4.45Å; L33-L48 HydrophobicContact CD1-CD2 4.2Å; I36-L48 HydrophobicContact CB-CD2 4.18Å; I36-L48 HydrophobicContact CG1-CD2 3.79Å; I36-L48 HydrophobicContact CG2-CD2 4.11Å; V46-L48 HydrophobicContact CG1-CD2 3.7Å; V46-L48 HydrophobicContact CG1-CG 3.95Å; L48-M50 HydrophobicContact CB-CG 3.87Å; L48-M50 HydrophobicContact CB-SD 4Å; L48-M50 HydrophobicContact CD1-SD 3.88Å; L48-I138 CarbonylContact O-C 3.45Å; L48-I138 VanDerWaalsContact O-CA 3.32Å; L48-I138 WeakPolarHBondContact O-CA 3.41Å; L48-Y139 PolarHBondContact N-O 2.85Å; L48-Y139 PolarHBondContact O-N 3.2Å; L48-F141 HydrophobicContact CD1-CE1 3.75Å; L48-F141 HydrophobicContact CD1-CZ 4.22Å; L48-F141 HydrophobicContact CG-CE1 3.92Å; L48-M159 HydrophobicContact CD1-CE 4.5Å; L48-M159 HydrophobicContact CD1-SD 3.59Å; L48-M159 VanDerWaalsContact CD1-SD 3.59Å; L48-F196 HydrophobicContact CD1-CE1 4.39Å; L48-F196 HydrophobicContact CD1-CZ 4.22Å; L48-L219 HydrophobicContact CD1-CD2 4.05Å; L48-L219 HydrophobicContact CD2-CD2 4.07Å
49Y95.8Very high93.5Very high72 Ų7232 Ų3228%0.28215%0.147SC..EExtended strand (participates in β ladder)trans-99.1115.5166.8-173.1-151000109.6Y34 M35 P136 A137 I138Y34-Y49 WeakPolarHBondContact CB-O 3.38Å; Y34-Y49 AromaticContact CD1-CD1 3.37Å; Y34-Y49 HydrophobicContact CD1-CD1 3.37Å; Y34-Y49 AromaticContact CD1-CE1 3.68Å; Y34-Y49 HydrophobicContact CD1-CE1 3.68Å; Y34-Y49 HydrophobicContact CD1-CG 4.38Å; Y34-Y49 HydrophobicContact CE1-CD1 4.05Å; Y34-Y49 HydrophobicContact CE1-CE1 4.05Å; Y34-Y49 HydrophobicContact CG-CD1 4.06Å; Y34-Y49 HydrophobicContact CG-CE1 4.25Å; Y34-Y49 PolarHBondContact N-O 3.46Å; M35-Y49 PolarHBondContact N-O 3.1Å; M35-Y49 PolarHBondContact O-N 2.86Å; Y49-P136 HydrophobicContact CE2-CB 3.87Å; Y49-A137 WeakPolarHBondContact CD2-O 3.38Å; Y49-I138 HydrophobicContact CD2-CG1 3.85Å; Y49-I138 HydrophobicContact CE2-CG1 4.38Å
50M95.3Very high93.4Very high0 Ų034.2 Ų34.20%016%0.156CC..EExtended strand (participates in β ladder)trans-132.3148.4-170-61.3-175.268.500111.4M31 N32 L33 L48 A137 Y139 M159 V180 F196M31-M50 HydrophobicContact CB-CE 3.74Å; M31-M50 HydrophobicContact CG-CE 4.22Å; M31-M50 HydrophobicContact SD-CE 3.97Å; N32-M50 CarbonylContact O-C 3.53Å; N32-M50 VanDerWaalsContact O-CA 3.29Å; N32-M50 WeakPolarHBondContact O-CA 3.3Å; L33-M50 HydrophobicContact CD1-CG 3.93Å; L48-M50 HydrophobicContact CB-CG 3.87Å; L48-M50 HydrophobicContact CB-SD 4Å; L48-M50 HydrophobicContact CD1-SD 3.88Å; M50-A137 PolarHBondContact N-O 3.34Å; M50-A137 PolarHBondContact O-N 2.84Å; M50-Y139 HydrophobicContact CB-CD2 4.17Å; M50-Y139 HydrophobicContact CB-CE2 4.29Å; M50-Y139 HydrophobicContact CG-CD2 4.31Å; M50-Y139 HydrophobicContact SD-CD2 3.86Å; M50-Y139 HydrophobicContact SD-CE2 4.45Å; M50-M159 HydrophobicContact SD-CE 4.19Å; M50-M159 HydrophobicContact SD-SD 4.15Å; M50-V180 HydrophobicContact CE-CG1 4.43Å; M50-F196 HydrophobicContact CE-CE1 3.71Å; M50-F196 HydrophobicContact CE-CZ 3.75Å; M50-F196 HydrophobicContact SD-CE1 4.3Å; M50-F196 HydrophobicContact SD-CZ 4.23Å
51W94.7Very high93.3Very high113 Ų11331.5 Ų31.543%0.42814%0.141SC..EExtended strand (participates in β ladder)trans-102.2116170.2-64.426.8000107.4N32 Y34N32-W51 HydrophobicContact CB-CB 4.29Å; N32-W51 PolarHBondContact N-O 3.42Å; N32-W51 PolarHBondContact O-N 3.21Å; Y34-W51 AromaticContact CD2-NE1 3.92Å
52T94.3Very high93.3Very high1 Ų132.7 Ų32.71%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-105.9133-178.2-54.90000109.5V29 Q54 R134 Y135 Y139V29-T52 HydrophobicContact CG1-CG2 4.01Å; T52-Q54 HydrophobicContact CG2-CG 4.26Å; T52-R134 WeakPolarHBondContact O-CA 3.4Å; T52-Y135 HydrophobicContact CG2-CE1 4.07Å; T52-Y135 HydrophobicContact CG2-CE2 4.3Å; T52-Y135 WeakPolarHBondContact CG2-OH 3.49Å; T52-Y135 PolarHBondContact N-O 3.32Å; T52-Y135 PolarHBondContact O-N 2.6Å; T52-Y139 PolarHBondContact OG1-OH 3.48Å
53V94.4Very high93.4Very high21 Ų2125.5 Ų25.513%0.12712%0.118CC..EExtended strand (participates in β ladder)trans-124.3117175.4179.90000108.5V29 R30 I55 T132 F133 R134V29-V53 WeakPolarHBondContact CA-O 3.4Å; R30-V53 HydrophobicContact CB-CB 4.14Å; R30-V53 PolarHBondContact N-O 2.94Å; R30-V53 PolarHBondContact O-N 2.8Å; V53-I55 HydrophobicContact CG1-CD1 4.2Å; V53-I55 HydrophobicContact CG1-CG1 3.93Å; V53-T132 HydrophobicContact CG1-CG2 3.92Å; V53-F133 CarbonylContact C-O 3.42Å; V53-F133 WeakPolarHBondContact CA-O 3.36Å; V53-R134 HydrophobicContact CB-CG 4.47Å; V53-R134 HydrophobicContact CG1-CG 4.02Å; V53-R134 HydrophobicContact CG2-CB 4.16Å; V53-R134 HydrophobicContact CG2-CG 3.88Å
54Q95Very high93.4Very high3 Ų325.3 Ų25.31%0.01411%0.112CC..EExtended strand (participates in β ladder)trans-105.6133.1174.3-59.2-172.933.500109.5V27 S28 V29 T52 W56 T86 F133 Y135V27-Q54 HydrophobicContact CG1-CB 4.34Å; S28-Q54 CarbonylContact O-C 3.58Å; S28-Q54 WeakPolarHBondContact O-CA 3.48Å; V29-Q54 HydrophobicContact CG2-CG 4.39Å; T52-Q54 HydrophobicContact CG2-CG 4.26Å; Q54-W56 HydrophobicContact CB-CE3 4.3Å; Q54-W56 HydrophobicContact CB-CZ3 4.02Å; Q54-T86 PolarHBondContact NE2-OG1 2.94Å; Q54-T86 PolarHBondContact OE1-OG1 3.07Å; Q54-F133 PolarHBondContact N-O 3.22Å; Q54-F133 PolarHBondContact O-N 2.61Å; Q54-Y135 HydrophobicContact CG-CE1 4.19Å; Q54-Y135 PolarHBondContact NE2-OH 2.7Å
55I94.2Very high93.2Very high6 Ų623.8 Ų23.83%0.03111%0.106CC..EExtended strand (participates in β ladder)trans-129.6121.6-177-49175.4000108.9S28 V53 I116 L119 T130 V131 T132 Y176S28-I55 PolarHBondContact N-O 2.84Å; S28-I55 PolarHBondContact O-N 3.49Å; V53-I55 HydrophobicContact CG1-CD1 4.2Å; V53-I55 HydrophobicContact CG1-CG1 3.93Å; I55-I116 HydrophobicContact CD1-CD1 3.81Å; I55-I116 HydrophobicContact CG2-CD1 4.39Å; I55-L119 HydrophobicContact CB-CD1 4.12Å; I55-L119 HydrophobicContact CG2-CD1 3.57Å; I55-T130 HydrophobicContact CG2-CG2 3.62Å; I55-V131 WeakPolarHBondContact CA-O 3.33Å; I55-T132 HydrophobicContact CG1-CG2 4.34Å; I55-Y176 HydrophobicContact CD1-CD2 4.38Å; I55-Y176 HydrophobicContact CD1-CE2 4.39Å
56W93.2Very high93.1Very high0 Ų032.2 Ų32.20%014%0.143CC..EExtended strand (participates in β ladder)trans-140.9173.7174.368.998.5000110.5T25 V27 Q54 W82 L83 P84 V131 F133T25-W56 HydrophobicContact CG2-CB 4.47Å; V27-W56 HydrophobicContact CG2-CB 4.24Å; Q54-W56 HydrophobicContact CB-CE3 4.3Å; Q54-W56 HydrophobicContact CB-CZ3 4.02Å; W56-W82 WeakPolarHBondContact CZ2-O 3.32Å; W56-W82 AromaticContact NE1-CE3 3.77Å; W56-W82 AromaticContact NE1-CZ3 3.94Å; W56-L83 HydrophobicContact CH2-CD2 3.57Å; W56-L83 HydrophobicContact CZ2-CD2 3.97Å; W56-P84 HydrophobicContact CE3-CG 4.39Å; W56-P84 HydrophobicContact CZ3-CG 4.43Å; W56-V131 HydrophobicContact CD2-CB 3.93Å; W56-V131 HydrophobicContact CD2-CG1 4.27Å; W56-V131 HydrophobicContact CE3-CB 4.44Å; W56-V131 HydrophobicContact CG-CB 4.38Å; W56-V131 HydrophobicContact CH2-CB 4.28Å; W56-V131 HydrophobicContact CH2-CG1 3.56Å; W56-V131 HydrophobicContact CZ2-CB 3.76Å; W56-V131 HydrophobicContact CZ2-CG1 3.22Å; W56-V131 HydrophobicContact CZ2-CG2 4.41Å; W56-V131 HydrophobicContact CZ3-CG1 4.21Å; W56-V131 PolarHBondContact N-O 2.95Å; W56-V131 VanDerWaalsContact N-O 3.1Å; W56-V131 PolarHBondContact O-N 3.13Å; W56-F133 HydrophobicContact CH2-CB 3.7Å; W56-F133 HydrophobicContact CH2-CG 4.42Å; W56-F133 HydrophobicContact CZ3-CB 3.6Å
57K91.6Very high92.9Very high52 Ų5238.6 Ų38.623%0.22618%0.176CC..EExtended strand (participates in β ladder)trans-105.6137.3175.3-74.5-179.1166.6-179.70110.7L119 A129K57-L119 WeakPolarHBondContact CE-O 3.5Å; K57-L119 PolarHBondContact NZ-O 2.91Å; K57-A129 CarbonylContact C-O 3.55Å; K57-A129 WeakPolarHBondContact CA-O 3.31Å
58D92.9Very high92.6Very high0 Ų040.9 Ų40.90%018%0.183CC..EExtended strand (participates in β ladder)trans-116.9116.5173.1-170.5-35.8000111Y11 P17 F60 L61 S128 A129 V131Y11-D58 WeakPolarHBondContact CE2-OD2 3.4Å; Y11-D58 PolarHBondContact OH-OD2 3.47Å; P17-D58 HydrophobicContact CB-CB 3.85Å; P17-D58 WeakPolarHBondContact CB-OD2 3.37Å; D58-F60 VanDerWaalsContact C-N 3.3Å; D58-F60 PolarHBondContact O-N 2.98Å; D58-F60 PolarHBondContact OD1-N 3.32Å; D58-L61 HydrophobicContact CB-CB 4.26Å; D58-L61 HydrophobicContact CB-CD1 4.13Å; D58-L61 HydrophobicContact CB-CG 4.31Å; D58-L61 PolarHBondContact OD1-N 2.82Å; D58-L61 WeakPolarHBondContact OD2-CD1 3.36Å; D58-S128 WeakPolarHBondContact O-CA 3.49Å; D58-A129 PolarHBondContact N-O 3.04Å; D58-A129 PolarHBondContact O-N 3.13Å; D58-V131 HydrophobicContact CB-CG2 3.62Å
59Q90.5Very high92.3Very high25 Ų2544.7 Ų44.712%0.11722%0.223CC..SBendtrans-78.6-11.2-175.5-62.5-177.4-4.400114P17 R19P17-Q59 PolarHBondContact O-N 3.27Å; R19-Q59 HydrophobicContact CG-CB 4.15Å; R19-Q59 PolarHBondContact NH2-O 2.9Å
60F91.3Very high92.1Very high54 Ų5443.7 Ų43.724%0.23723%0.234CC..SBendtrans-96.2-27.1180-60.1-70.3000112.1R10 Y11 V18 R19 D58 Y62R10-F60 PolarHBondContact NE-O 3.48Å; R10-F60 PolarHBondContact NH2-O 3.31Å; Y11-F60 HydrophobicContact CD2-CB 3.71Å; Y11-F60 HydrophobicContact CE2-CB 4.09Å; V18-F60 WeakPolarHBondContact O-CZ 3.43Å; R19-F60 HydrophobicContact CG-CE1 4.11Å; R19-F60 HydrophobicContact CG-CZ 4.29Å; D58-F60 VanDerWaalsContact C-N 3.3Å; D58-F60 PolarHBondContact O-N 2.98Å; D58-F60 PolarHBondContact OD1-N 3.32Å; F60-Y62 VanDerWaalsContact C-N 3.33Å; F60-Y62 PolarHBondContact O-N 2.93Å
61L92.1Very high91.9Very high0 Ų047.5 Ų47.50%025%0.254CS..SBendtrans-87.717.3-178-64.3178.8000115F6 Y11 D58 W63 V81 L107 A129F6-L61 HydrophobicContact CD1-CD2 4.23Å; F6-L61 HydrophobicContact CE1-CD2 3.71Å; F6-L61 HydrophobicContact CZ-CD2 3.98Å; Y11-L61 HydrophobicContact CD1-CD2 4.4Å; Y11-L61 HydrophobicContact CD2-CD2 3.59Å; Y11-L61 HydrophobicContact CD2-CG 3.95Å; Y11-L61 HydrophobicContact CE1-CD2 4.39Å; Y11-L61 HydrophobicContact CE2-CD1 3.95Å; Y11-L61 HydrophobicContact CE2-CD2 3.59Å; Y11-L61 HydrophobicContact CE2-CG 3.51Å; Y11-L61 HydrophobicContact CG-CD2 4Å; D58-L61 HydrophobicContact CB-CB 4.26Å; D58-L61 HydrophobicContact CB-CD1 4.13Å; D58-L61 HydrophobicContact CB-CG 4.31Å; D58-L61 PolarHBondContact OD1-N 2.82Å; D58-L61 WeakPolarHBondContact OD2-CD1 3.36Å; L61-W63 WeakPolarHBondContact O-CZ3 3.15Å; L61-V81 HydrophobicContact CD1-CB 4.49Å; L61-V81 HydrophobicContact CD1-CG1 3.85Å; L61-L107 HydrophobicContact CD1-CD1 4.12Å; L61-L107 HydrophobicContact CD1-CD2 3.82Å; L61-A129 HydrophobicContact CB-CB 4.06Å; L61-A129 VanDerWaalsContact O-CB 3.26Å; L61-A129 WeakPolarHBondContact O-CB 3.49Å
62Y89.4Confident91.6Very high50 Ų5044.7 Ų44.720%0.19625%0.247CC..  trans-74.6139.4176.3174.6-96.6000113.1R10 F60 E127R10-Y62 PolarHBondContact NH2-O 3.42Å; F60-Y62 VanDerWaalsContact C-N 3.33Å; F60-Y62 PolarHBondContact O-N 2.93Å; Y62-E127 HydrophobicContact CD1-CB 3.54Å; Y62-E127 HydrophobicContact CD1-CG 3.99Å; Y62-E127 HydrophobicContact CD2-CB 3.91Å; Y62-E127 HydrophobicContact CE1-CB 3.67Å; Y62-E127 HydrophobicContact CE1-CG 3.55Å; Y62-E127 VanDerWaalsContact CE1-OE1 3.29Å; Y62-E127 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E127 WeakPolarHBondContact CE1-OE2 3.29Å; Y62-E127 HydrophobicContact CE2-CB 4.05Å; Y62-E127 HydrophobicContact CE2-CG 4.15Å; Y62-E127 HydrophobicContact CG-CB 3.62Å; Y62-E127 HydrophobicContact CG-CG 4.41Å; Y62-E127 PolarHBondContact OH-OE1 3.08Å
63W90.5Very high91.5Very high6 Ų647.3 Ų47.32%0.02327%0.266CS..  trans-137.1154165.869.7100.6000110.8M1 L5 L61 P65 Y68 I71 D72 I74 L107 S109 A129M1-W63 HydrophobicContact CE-CZ2 4.46Å; M1-W63 VanDerWaalsContact SD-CD1 3.6Å; M1-W63 HydrophobicContact SD-CD2 4.33Å; M1-W63 HydrophobicContact SD-CG 4.05Å; L5-W63 HydrophobicContact CD1-CD2 4.21Å; L5-W63 HydrophobicContact CD1-CE3 3.69Å; L5-W63 HydrophobicContact CD1-CZ3 4.16Å; L5-W63 HydrophobicContact CD2-CB 4.13Å; L5-W63 HydrophobicContact CD2-CE3 4.14Å; L61-W63 WeakPolarHBondContact O-CZ3 3.15Å; W63-P65 WeakPolarHBondContact O-CD 3.29Å; W63-Y68 HydrophobicContact CB-CD2 4.09Å; W63-Y68 HydrophobicContact CB-CE2 4.03Å; W63-Y68 AromaticContact CD1-CD2 3.84Å; W63-Y68 HydrophobicContact CG-CD2 4.29Å; W63-I71 PolarHBondContact NE1-O 3.07Å; W63-D72 VanDerWaalsContact CZ2-O 3.31Å; W63-D72 WeakPolarHBondContact CZ2-O 3.49Å; W63-I74 HydrophobicContact CH2-CG1 4.05Å; W63-I74 HydrophobicContact CZ2-CG1 4.41Å; W63-L107 HydrophobicContact CH2-CB 3.87Å; W63-L107 HydrophobicContact CZ3-CB 3.99Å; W63-S109 PolarHBondContact O-OG 3.11Å; W63-A129 HydrophobicContact CZ3-CB 4.03Å
64N89.4Confident91.5Very high57 Ų5747.5 Ų47.531%0.30527%0.266SS..  trans-85.7115.4171.3-177.4-10.7000109.7K66 L67N64-K66 PolarHBondContact O-N 2.94Å; N64-K66 VanDerWaalsContact O-N 3.11Å; N64-K66 WeakPolarHBondContact OD1-CB 3.39Å; N64-K66 PolarHBondContact OD1-N 3.3Å; N64-L67 HydrophobicContact CB-CD1 4.08Å; N64-L67 HydrophobicContact CB-CG 4.13Å; N64-L67 PolarHBondContact O-N 3.06Å
65P90.1Very high91.5Very high16 Ų1652.9 Ų52.910%0.10429%0.293CS..G310 helixtrans-55.9-31.4-179.6-27.637.2000113.2W63 L67 Y68 G70 I71 D72W63-P65 WeakPolarHBondContact O-CD 3.29Å; P65-L67 PolarHBondContact O-N 3.33Å; P65-Y68 CarbonylContact O-C 3.59Å; P65-Y68 PolarHBondContact O-N 3.02Å; P65-Y68 VanDerWaalsContact O-N 3.08Å; P65-G70 VanDerWaalsContact O-CA 3.3Å; P65-G70 WeakPolarHBondContact O-CA 3.14Å; P65-G70 PolarHBondContact O-N 2.94Å; P65-I71 WeakPolarHBondContact CB-O 3.46Å; P65-D72 HydrophobicContact CG-CB 4.49Å
66K90.8Very high91.5Very high186 Ų18652.7 Ų52.781%0.80929%0.293SS*.G310 helixtrans-62.4-30.7179.7-62.4-177.2178.3-179.30112.9N64 Y68N64-K66 PolarHBondContact O-N 2.94Å; N64-K66 VanDerWaalsContact O-N 3.11Å; N64-K66 WeakPolarHBondContact OD1-CB 3.39Å; N64-K66 PolarHBondContact OD1-N 3.3Å; K66-Y68 VanDerWaalsContact C-N 3.3Å
67L92.1Very high91.6Very high134 Ų13454.7 Ų54.770%0.70231%0.306SS*.G310 helixtrans-79.6-15.1178.8-62.7178.9000112.9N64 P65N64-L67 HydrophobicContact CB-CD1 4.08Å; N64-L67 HydrophobicContact CB-CG 4.13Å; N64-L67 PolarHBondContact O-N 3.06Å; P65-L67 PolarHBondContact O-N 3.33Å
68Y91.6Very high91.7Very high62 Ų6256.1 Ų56.124%0.24331%0.31CS..G310 helixtrans-12237-172.6-71.5-69.7000112.2M1 D4 W63 P65 K66 G70 I71M1-Y68 HydrophobicContact CB-CD1 3.56Å; M1-Y68 HydrophobicContact CB-CE1 3.6Å; M1-Y68 HydrophobicContact CB-CG 4.11Å; M1-Y68 HydrophobicContact CG-CD1 3.74Å; M1-Y68 HydrophobicContact CG-CD2 3.93Å; M1-Y68 HydrophobicContact CG-CE1 3.83Å; M1-Y68 HydrophobicContact CG-CE2 4Å; M1-Y68 HydrophobicContact CG-CG 3.78Å; M1-Y68 HydrophobicContact SD-CD1 4Å; M1-Y68 HydrophobicContact SD-CD2 3.85Å; M1-Y68 HydrophobicContact SD-CE2 4.49Å; M1-Y68 HydrophobicContact SD-CG 3.54Å; M1-Y68 VanDerWaalsContact SD-CG 3.54Å; D4-Y68 WeakPolarHBondContact CB-OH 3.5Å; D4-Y68 VanDerWaalsContact CG-OH 3.29Å; D4-Y68 PolarHBondContact OD2-OH 2.93Å; W63-Y68 HydrophobicContact CB-CD2 4.09Å; W63-Y68 HydrophobicContact CB-CE2 4.03Å; W63-Y68 AromaticContact CD1-CD2 3.84Å; W63-Y68 HydrophobicContact CG-CD2 4.29Å; P65-Y68 CarbonylContact O-C 3.59Å; P65-Y68 PolarHBondContact O-N 3.02Å; P65-Y68 VanDerWaalsContact O-N 3.08Å; K66-Y68 VanDerWaalsContact C-N 3.3Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; Y68-G70 PolarHBondContact O-N 2.94Å; Y68-I71 WeakPolarHBondContact O-CD1 3.43Å; Y68-I71 VanDerWaalsContact O-CG1 3.29Å; Y68-I71 WeakPolarHBondContact O-CG1 3.34Å; Y68-I71 PolarHBondContact O-N 2.89Å
69G89.8Confident91.7Very high80 Ų8061.4 Ų61.483%0.82534%0.335SS*.THydrogen-bonded Turntrans69.923174.900000114.7
70G90.2Very high91.9Very high51 Ų5163.9 Ų63.953%0.52635%0.347SS..THydrogen-bonded Turntrans84.66.1-179.900000114.7P65 Y68 D72P65-G70 VanDerWaalsContact O-CA 3.3Å; P65-G70 WeakPolarHBondContact O-CA 3.14Å; P65-G70 PolarHBondContact O-N 2.94Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; Y68-G70 PolarHBondContact O-N 2.94Å; G70-D72 PolarHBondContact O-N 3.31Å; G70-D72 VanDerWaalsContact O-N 3.16Å
71I90.9Very high92Very high81 Ų8161.4 Ų61.442%0.41534%0.336SS..  trans-67.7112.8178.7-59.6168.8000109.6M1 W63 P65 Y68 S73 I74M1-I71 HydrophobicContact CE-CG2 3.92Å; W63-I71 PolarHBondContact NE1-O 3.07Å; P65-I71 WeakPolarHBondContact CB-O 3.46Å; Y68-I71 WeakPolarHBondContact O-CD1 3.43Å; Y68-I71 VanDerWaalsContact O-CG1 3.29Å; Y68-I71 WeakPolarHBondContact O-CG1 3.34Å; Y68-I71 PolarHBondContact O-N 2.89Å; I71-S73 WeakPolarHBondContact CG2-O 3.42Å; I71-I74 HydrophobicContact CG2-CG2 3.83Å
72D90Very high92.2Very high54 Ų5462.1 Ų62.129%0.28934%0.339SS..  trans-97.7-19.3-17966.5-10.8000113.5W63 P65 G70 S108 S109 Q110W63-D72 VanDerWaalsContact CZ2-O 3.31Å; W63-D72 WeakPolarHBondContact CZ2-O 3.49Å; P65-D72 HydrophobicContact CG-CB 4.49Å; G70-D72 PolarHBondContact O-N 3.31Å; G70-D72 VanDerWaalsContact O-N 3.16Å; D72-S108 CarbonylContact O-C 3.6Å; D72-S108 WeakPolarHBondContact O-CA 3.5Å; D72-S109 PolarHBondContact O-N 2.81Å; D72-Q110 HydrophobicContact CB-CG 4.28Å
73S92.3Very high92.4Very high56 Ų5661.4 Ų61.439%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-143.1144.5-176.156.90000112.2I71 L107I71-S73 WeakPolarHBondContact CG2-O 3.42Å; S73-L107 CarbonylContact C-O 3.56Å; S73-L107 WeakPolarHBondContact CA-O 3.35Å
74I93.7Very high92.6Very high25 Ų2561.4 Ų61.413%0.12834%0.339CS..EExtended strand (participates in β ladder)trans-139.4155.8174.454.4168.8000111.7M1 V2 L5 W63 I71 V76 I106 L107M1-I74 HydrophobicContact CE-CB 4.19Å; M1-I74 HydrophobicContact CE-CD1 3.8Å; M1-I74 HydrophobicContact CE-CG1 4.17Å; M1-I74 HydrophobicContact CE-CG2 3.09Å; V2-I74 HydrophobicContact CG2-CD1 4.27Å; L5-I74 HydrophobicContact CD1-CD1 3.9Å; W63-I74 HydrophobicContact CH2-CG1 4.05Å; W63-I74 HydrophobicContact CZ2-CG1 4.41Å; I71-I74 HydrophobicContact CG2-CG2 3.83Å; I74-V76 HydrophobicContact CD1-CG1 3.91Å; I74-V76 HydrophobicContact CG1-CG1 4.38Å; I74-I106 WeakPolarHBondContact O-CA 3.28Å; I74-L107 HydrophobicContact CD1-CD1 3.99Å; I74-L107 HydrophobicContact CG1-CB 3.89Å; I74-L107 HydrophobicContact CG1-CD1 4.17Å; I74-L107 HydrophobicContact CG1-CG 4.43Å; I74-L107 PolarHBondContact N-O 3.32Å; I74-L107 PolarHBondContact O-N 3.11Å
75I94.8Very high92.8Very high115 Ų11560.6 Ų60.659%0.5934%0.335SS*.EExtended strand (participates in β ladder)trans-109.4124.7175.3-55.7-177.4000108N104 V105 I106I75-N104 HydrophobicContact CG2-CB 3.53Å; I75-V105 WeakPolarHBondContact CA-O 3.25Å; I75-I106 HydrophobicContact CG1-CG1 4.24Å
76V94.3Very high93Very high3 Ų360.4 Ų60.42%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-129.1151.2179.4-62.20000110.5F6 I74 V81 N104 V105 L107F6-V76 HydrophobicContact CE2-CG1 3.97Å; F6-V76 HydrophobicContact CZ-CB 4.48Å; F6-V76 HydrophobicContact CZ-CG1 4.3Å; F6-V76 HydrophobicContact CZ-CG2 4.17Å; I74-V76 HydrophobicContact CD1-CG1 3.91Å; I74-V76 HydrophobicContact CG1-CG1 4.38Å; V76-V81 HydrophobicContact CG2-CG1 3.92Å; V76-N104 CarbonylContact O-C 3.54Å; V76-N104 WeakPolarHBondContact O-CA 3.34Å; V76-V105 HydrophobicContact CG2-CB 4.49Å; V76-V105 PolarHBondContact N-O 3.25Å; V76-V105 PolarHBondContact O-N 3.16Å; V76-L107 HydrophobicContact CG1-CD1 4.28Å; V76-L107 HydrophobicContact CG2-CD1 3.8Å; V76-L107 HydrophobicContact CG2-CG 4.04Å
77P95.3Very high93.1Very high42 Ų4255.4 Ų55.427%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-57.6142.8173.3-24.234000112.5H79 M80 N104P77-H79 WeakPolarHBondContact CB-CE1 3.42Å; P77-H79 PolarHBondContact O-N 3.23Å; P77-H79 VanDerWaalsContact O-N 3.12Å; P77-M80 HydrophobicContact CB-CG 4.48Å; P77-M80 HydrophobicContact CG-CE 4.39Å; P77-M80 HydrophobicContact CG-SD 4.28Å; P77-M80 PolarHBondContact O-N 3.18Å; P77-M80 VanDerWaalsContact O-N 3.13Å; P77-N104 WeakPolarHBondContact CA-OD1 3.49Å
78Y93.5Very high93.2Very high82 Ų8249.8 Ų49.832%0.32228%0.28SS..G310 helixtrans-59.8-29.2-175.278.4-94.9000113.7M80 V81 L83 R102 I103Y78-M80 PolarHBondContact O-N 3.24Å; Y78-V81 WeakPolarHBondContact O-CG2 3.48Å; Y78-V81 PolarHBondContact O-N 2.94Å; Y78-L83 HydrophobicContact CD2-CD1 3.82Å; Y78-R102 HydrophobicContact CD1-CB 3.72Å; Y78-R102 HydrophobicContact CD2-CB 4.31Å; Y78-R102 HydrophobicContact CE1-CB 3.8Å; Y78-R102 WeakPolarHBondContact CE1-O 3.02Å; Y78-R102 HydrophobicContact CE2-CB 4.38Å; Y78-R102 HydrophobicContact CG-CB 4Å; Y78-I103 WeakPolarHBondContact CD1-O 3.47Å; Y78-I103 PolarHBondContact N-O 3.35Å
79H93.2Very high93.3Very high111 Ų11149.8 Ų49.851%0.51428%0.28SS..G310 helixtrans-77.5-0.7-176.962.2-98.1000113.7I13 P77I13-H79 WeakPolarHBondContact CD1-O 3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.42Å; P77-H79 PolarHBondContact O-N 3.23Å; P77-H79 VanDerWaalsContact O-N 3.12Å
80M93.7Very high93.6Very high76 Ų7647.5 Ų47.537%0.37425%0.249SC..G310 helixtrans-93-14.2174.4-66.7-173.3169.800112.8F6 Y11 P77 Y78F6-M80 HydrophobicContact CD1-CB 4.26Å; F6-M80 WeakPolarHBondContact CD1-O 3.12Å; F6-M80 HydrophobicContact CE1-CB 3.97Å; F6-M80 WeakPolarHBondContact CE1-O 2.97Å; F6-M80 HydrophobicContact CZ-CB 4.28Å; Y11-M80 VanDerWaalsContact CE1-O 3.26Å; Y11-M80 WeakPolarHBondContact CE1-O 3.49Å; P77-M80 HydrophobicContact CB-CG 4.48Å; P77-M80 HydrophobicContact CG-CE 4.39Å; P77-M80 HydrophobicContact CG-SD 4.28Å; P77-M80 PolarHBondContact O-N 3.18Å; P77-M80 VanDerWaalsContact O-N 3.13Å; Y78-M80 PolarHBondContact O-N 3.24Å
81V94.7Very high93.8Very high2 Ų246 Ų461%0.01223%0.234CC..SBendtrans-118.6149-174.6-620000111.3F6 Y11 I13 L61 V76 Y78 L83 V105 L107F6-V81 HydrophobicContact CE1-CG1 3.82Å; F6-V81 HydrophobicContact CZ-CG1 3.86Å; Y11-V81 WeakPolarHBondContact OH-CA 3.34Å; I13-V81 VanDerWaalsContact CD1-O 3.3Å; I13-V81 WeakPolarHBondContact CD1-O 3.46Å; I13-V81 WeakPolarHBondContact CG1-O 3.33Å; L61-V81 HydrophobicContact CD1-CB 4.49Å; L61-V81 HydrophobicContact CD1-CG1 3.85Å; V76-V81 HydrophobicContact CG2-CG1 3.92Å; Y78-V81 WeakPolarHBondContact O-CG2 3.48Å; Y78-V81 PolarHBondContact O-N 2.94Å; V81-L83 HydrophobicContact CG2-CD2 4.02Å; V81-V105 HydrophobicContact CG2-CB 4.12Å; V81-V105 HydrophobicContact CG2-CG1 4.17Å; V81-V105 HydrophobicContact CG2-CG2 3.83Å; V81-L107 HydrophobicContact CG1-CD1 4.5Å; V81-L107 HydrophobicContact CG1-CD2 4.3Å
82W95.3Very high93.8Very high15 Ų1546 Ų466%0.05724%0.235CC..  trans-62.4134.5170.417691.8000109.1Y11 I13 V15 R16 P17 T25 W56 P84 I171Y11-W82 PolarHBondContact OH-N 3.44Å; I13-W82 VanDerWaalsContact O-CD1 3.25Å; V15-W82 VanDerWaalsContact O-CD1 3.27Å; R16-W82 HydrophobicContact CG-CZ2 3.96Å; P17-W82 VanDerWaalsContact CD-CE3 3.47Å; P17-W82 HydrophobicContact CG-CD2 4.25Å; P17-W82 HydrophobicContact CG-CE3 3.67Å; P17-W82 HydrophobicContact CG-CZ3 3.86Å; T25-W82 HydrophobicContact CG2-CH2 4.09Å; T25-W82 HydrophobicContact CG2-CZ3 4.04Å; W56-W82 WeakPolarHBondContact CZ2-O 3.32Å; W56-W82 AromaticContact NE1-CE3 3.77Å; W56-W82 AromaticContact NE1-CZ3 3.94Å; W82-P84 HydrophobicContact CH2-CB 3.84Å; W82-P84 HydrophobicContact CZ3-CB 4.12Å; W82-P84 HydrophobicContact CZ3-CG 4.49Å; W82-I171 HydrophobicContact CH2-CD1 3.92Å; W82-I171 HydrophobicContact CZ2-CD1 3.93Å
83L94.9Very high93.8Very high36 Ų3646.5 Ų46.519%0.18824%0.235CC..  trans-118.4139.8176.5-61.9178.9000109.2W56 Y78 V81 V105 F133W56-L83 HydrophobicContact CH2-CD2 3.57Å; W56-L83 HydrophobicContact CZ2-CD2 3.97Å; Y78-L83 HydrophobicContact CD2-CD1 3.82Å; V81-L83 HydrophobicContact CG2-CD2 4.02Å; L83-V105 HydrophobicContact CD2-CG2 4.4Å; L83-F133 HydrophobicContact CD1-CE1 4.17Å; L83-F133 HydrophobicContact CD1-CZ 4.31Å; L83-F133 HydrophobicContact CD2-CD1 4.01Å; L83-F133 HydrophobicContact CD2-CE1 4.21Å; L83-F133 HydrophobicContact CD2-CG 4.3Å
84P95Very high93.4Very high6 Ų651.6 Ų51.64%0.03926%0.255CS..  trans-63.7147.216830.2-36.2000110.3V27 W56 W82 T86V27-P84 HydrophobicContact CG1-CG 4.26Å; V27-P84 HydrophobicContact CG2-CB 4.05Å; V27-P84 HydrophobicContact CG2-CG 4.23Å; W56-P84 HydrophobicContact CE3-CG 4.39Å; W56-P84 HydrophobicContact CZ3-CG 4.43Å; W82-P84 HydrophobicContact CH2-CB 3.84Å; W82-P84 HydrophobicContact CZ3-CB 4.12Å; W82-P84 HydrophobicContact CZ3-CG 4.49Å; P84-T86 PolarHBondContact O-N 3.36Å
85D92.6Very high93.1Very high40 Ų4055.4 Ų55.421%0.21427%0.272CS..  trans-83.248.7179.967.2-30.6000111.9Y87 S163 W164 M165 F166D85-Y87 PolarHBondContact O-N 3.03Å; D85-Y87 VanDerWaalsContact O-N 3.17Å; D85-S163 VanDerWaalsContact OD1-CB 3.27Å; D85-S163 WeakPolarHBondContact OD1-CB 3.37Å; D85-S163 PolarHBondContact OD1-OG 3.45Å; D85-S163 PolarHBondContact OD2-OG 3.01Å; D85-W164 PolarHBondContact OD2-N 3.46Å; D85-W164 VanDerWaalsContact OD2-N 3.16Å; D85-M165 WeakPolarHBondContact OD2-CB 3.38Å; D85-M165 PolarHBondContact OD2-N 2.92Å; D85-F166 WeakPolarHBondContact OD1-CD2 3.48Å
86T94Very high92.6Very high12 Ų1253.3 Ų53.37%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-60.4117.9178.4-48.40000109.8Q54 P84 F161 Y173Q54-T86 PolarHBondContact NE2-OG1 2.94Å; Q54-T86 PolarHBondContact OE1-OG1 3.07Å; P84-T86 PolarHBondContact O-N 3.36Å; T86-F161 HydrophobicContact CG2-CD1 4.33Å; T86-Y173 WeakPolarHBondContact CA-OH 3.45Å; T86-Y173 HydrophobicContact CG2-CE1 4.01Å; T86-Y173 PolarHBondContact N-OH 3.42Å; T86-Y173 VanDerWaalsContact OG1-CE1 3.31Å; T86-Y173 WeakPolarHBondContact OG1-CE1 3.47Å; T86-Y173 PolarHBondContact OG1-OH 3.29Å; T86-Y173 VanDerWaalsContact OG1-OH 3.1Å
87Y93.2Very high92.1Very high80 Ų8062.1 Ų62.131%0.31430%0.302SS..EExtended strand (participates in β ladder)trans-128.4145.7-175.1-167.4-98.7000111.2D85 Y89 F161 G162 W164D85-Y87 PolarHBondContact O-N 3.03Å; D85-Y87 VanDerWaalsContact O-N 3.17Å; Y87-Y89 HydrophobicContact CD1-CD2 4.49Å; Y87-F161 WeakPolarHBondContact O-CA 3.23Å; Y87-G162 PolarHBondContact N-O 3.16Å; Y87-G162 PolarHBondContact O-N 3.07Å; Y87-W164 HydrophobicContact CD1-CD2 4.46Å; Y87-W164 AromaticContact CD1-CE3 3.59Å; Y87-W164 HydrophobicContact CD1-CE3 3.59Å; Y87-W164 AromaticContact CD1-CZ3 3.9Å; Y87-W164 HydrophobicContact CD1-CZ3 3.9Å; Y87-W164 HydrophobicContact CE1-CE3 4.02Å; Y87-W164 AromaticContact CE1-CZ3 3.93Å; Y87-W164 HydrophobicContact CE1-CZ3 3.93Å; Y87-W164 HydrophobicContact CG-CE3 4.23Å
88L95.2Very high91.6Very high16 Ų1665.4 Ų65.48%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-95.1104.3174.117960.2000109.2N90 G91 Y139 F141 M159 F161L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 WeakPolarHBondContact CD1-OD1 3.31Å; L88-N90 PolarHBondContact O-N 3.29Å; L88-G91 PolarHBondContact O-N 3.12Å; L88-Y139 HydrophobicContact CD2-CD1 3.73Å; L88-Y139 HydrophobicContact CD2-CG 4.09Å; L88-F141 HydrophobicContact CD2-CB 4.1Å; L88-M159 HydrophobicContact CD1-CB 3.96Å; L88-M159 HydrophobicContact CD1-CE 4.26Å; L88-M159 HydrophobicContact CD2-CE 4.06Å; L88-F161 HydrophobicContact CB-CD1 4.21Å; L88-F161 HydrophobicContact CB-CE1 3.97Å; L88-F161 HydrophobicContact CD1-CD1 4.31Å; L88-F161 HydrophobicContact CD1-CD2 4.23Å; L88-F161 HydrophobicContact CD1-CE1 4.09Å; L88-F161 HydrophobicContact CD1-CE2 4.03Å; L88-F161 HydrophobicContact CD1-CG 4.4Å; L88-F161 HydrophobicContact CD1-CZ 3.96Å; L88-F161 HydrophobicContact CD2-CZ 4.5Å; L88-F161 HydrophobicContact CG-CE1 4.44Å
89Y93.4Very high91.4Very high62 Ų6262.4 Ų62.424%0.24330%0.304CS..THydrogen-bonded Turntrans-61.4-39.1-170.8-83-117.6000113.3Y87 G91 T160 S163 W164 L214Y87-Y89 HydrophobicContact CD1-CD2 4.49Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-T160 HydrophobicContact CD2-CG2 4.46Å; Y89-T160 HydrophobicContact CG-CG2 4.34Å; Y89-T160 PolarHBondContact N-O 3.21Å; Y89-S163 PolarHBondContact OH-O 3.22Å; Y89-W164 HydrophobicContact CD1-CZ3 4.11Å; Y89-W164 HydrophobicContact CE1-CE3 4.3Å; Y89-W164 HydrophobicContact CE1-CZ3 4.15Å; Y89-W164 HydrophobicContact CE2-CE3 4.47Å; Y89-W164 HydrophobicContact CG-CZ3 4.47Å; Y89-L214 HydrophobicContact CE2-CD2 3.97Å
90N94.9Very high91.3Very high32 Ų3258 Ų5817%0.17128%0.283CS..THydrogen-bonded Turntrans-96.721.3177.162.1-39.8000112.8L88 F141 T142 R158 T160L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 WeakPolarHBondContact CD1-OD1 3.31Å; L88-N90 PolarHBondContact O-N 3.29Å; N90-F141 WeakPolarHBondContact O-CA 3.34Å; N90-F141 WeakPolarHBondContact O-CB 2.91Å; N90-T142 PolarHBondContact ND2-O 3.5Å; N90-T142 PolarHBondContact O-N 3.03Å; N90-T142 VanDerWaalsContact O-N 3.07Å; N90-R158 PolarHBondContact ND2-O 2.88Å; N90-T160 PolarHBondContact OD1-N 2.87Å
91G94.1Very high91.3Very high20 Ų2062.9 Ų62.921%0.20630%0.298CS..BIsolated β-bridgetrans-73.4141.3174.500000111.6L88 Y89 K140L88-G91 PolarHBondContact O-N 3.12Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; G91-K140 CarbonylContact C-O 3.52Å; G91-K140 WeakPolarHBondContact CA-O 3.25Å
92L92.8Very high91.2Very high82 Ų8265.6 Ų65.643%0.42931%0.308SS..SBendtrans-95.8-19.1177.9-69.2176000113.4T45 K140 T142T45-L92 HydrophobicContact CG2-CD1 3.25Å; L92-K140 HydrophobicContact CB-CD 4.36Å; L92-K140 HydrophobicContact CB-CG 4.12Å; L92-K140 HydrophobicContact CD1-CG 4.16Å; L92-K140 PolarHBondContact N-O 3.21Å; L92-T142 HydrophobicContact CD1-CG2 4Å; L92-T142 HydrophobicContact CD2-CG2 3.54Å; L92-T142 HydrophobicContact CG-CG2 3.86Å
93E89.3Confident91Very high64 Ų6469.2 Ų69.230%0.29933%0.327SS..  trans-98.4116.6179.9-172.359.7-102.300110E95 K98E93-E95 PolarHBondContact OE1-N 3.18Å; E93-K98 VanDerWaalsContact CD-CD 3.45Å; E93-K98 HydrophobicContact CG-CB 3.69Å; E93-K98 HydrophobicContact CG-CD 4.31Å; E93-K98 WeakPolarHBondContact OE2-CD 3.48Å
94M83.1Confident91Very high163 Ų16371 Ų7180%0.80334%0.336SS*.  trans-90.9-21.3179.8-65.5-174.5-71.600112.3L96M94-L96 PolarHBondContact O-N 3.4Å
95E87Confident91Very high105 Ų10570.7 Ų70.749%0.49134%0.335SS..  trans-80.7113.7179.6-72.1175.9-142.400111.3E93 Q97 K98 S99E93-E95 PolarHBondContact OE1-N 3.18Å; E95-Q97 PolarHBondContact O-N 3.44Å; E95-Q97 VanDerWaalsContact O-N 3.16Å; E95-K98 HydrophobicContact CB-CB 4.38Å; E95-K98 HydrophobicContact CB-CD 4.07Å; E95-K98 HydrophobicContact CB-CG 4.21Å; E95-K98 PolarHBondContact O-N 3.01Å; E95-K98 IonicContact OE1-NZ 2.69Å; E95-K98 PolarHBondContact OE1-NZ 3.32Å; E95-K98 WeakPolarHBondContact OE2-CD 3.39Å; E95-K98 WeakPolarHBondContact OE2-CE 3.39Å; E95-K98 IonicContact OE2-NZ 2.83Å; E95-K98 PolarHBondContact OE2-NZ 3.32Å; E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 3.33Å
96L84.6Confident91Very high71 Ų7170.8 Ų70.837%0.37234%0.335SS..Hα-helixtrans-56.2-36.2-177.7-17864.7000113.7M94 K98 S99 E100 R102M94-L96 PolarHBondContact O-N 3.4Å; L96-K98 VanDerWaalsContact C-N 3.26Å; L96-K98 PolarHBondContact O-N 3.11Å; L96-S99 PolarHBondContact O-N 3.27Å; L96-S99 PolarHBondContact O-OG 3.26Å; L96-E100 HydrophobicContact CD1-CB 3.91Å; L96-E100 HydrophobicContact CD1-CG 4.04Å; L96-E100 WeakPolarHBondContact CD1-OE2 3.33Å; L96-E100 PolarHBondContact O-N 3.38Å; L96-R102 VanDerWaalsContact CD1-CZ 3.49Å; L96-R102 VanDerWaalsContact CD1-NH2 3.28Å
97Q85.1Confident91Very high187 Ų18770.2 Ų70.287%0.87433%0.331SS*.Hα-helixtrans-70.1-23.7-178-67.2-176.8-14.300113.3E95E95-Q97 PolarHBondContact O-N 3.44Å; E95-Q97 VanDerWaalsContact O-N 3.16Å
98K85Confident90.9Very high112 Ų11267 Ų6749%0.48732%0.321SS..Hα-helixtrans-82.2-33.1176.1-70.9179.2179153.60111.7E93 E95 L96E93-K98 VanDerWaalsContact CD-CD 3.45Å; E93-K98 HydrophobicContact CG-CB 3.69Å; E93-K98 HydrophobicContact CG-CD 4.31Å; E93-K98 WeakPolarHBondContact OE2-CD 3.48Å; E95-K98 HydrophobicContact CB-CB 4.38Å; E95-K98 HydrophobicContact CB-CD 4.07Å; E95-K98 HydrophobicContact CB-CG 4.21Å; E95-K98 PolarHBondContact O-N 3.01Å; E95-K98 IonicContact OE1-NZ 2.69Å; E95-K98 PolarHBondContact OE1-NZ 3.32Å; E95-K98 WeakPolarHBondContact OE2-CD 3.39Å; E95-K98 WeakPolarHBondContact OE2-CE 3.39Å; E95-K98 IonicContact OE2-NZ 2.83Å; E95-K98 PolarHBondContact OE2-NZ 3.32Å; L96-K98 VanDerWaalsContact C-N 3.26Å; L96-K98 PolarHBondContact O-N 3.11Å
99S87.7Confident90.4Very high19 Ų1967 Ų6713%0.13332%0.322CS..Hα-helixtrans-91.2-36.5-177.656.80000113.6E95 L96 A137 I138E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 3.33Å; L96-S99 PolarHBondContact O-N 3.27Å; L96-S99 PolarHBondContact O-OG 3.26Å; S99-A137 CarbonylContact O-C 3.52Å; S99-A137 WeakPolarHBondContact O-CA 3.29Å; S99-I138 PolarHBondContact O-N 3.1Å
100E92.4Very high89.3Confident18 Ų1868.8 Ų68.88%0.08433%0.332CS..BIsolated β-bridgetrans-136129.8-170.8-58.4-172.1162.200113L96 R102 Y135 A137 Y139L96-E100 HydrophobicContact CD1-CB 3.91Å; L96-E100 HydrophobicContact CD1-CG 4.04Å; L96-E100 WeakPolarHBondContact CD1-OE2 3.33Å; L96-E100 PolarHBondContact O-N 3.38Å; E100-R102 HydrophobicContact CB-CG 4.29Å; E100-R102 PolarHBondContact O-N 2.95Å; E100-R102 IonicContact OE2-CZ 3.36Å; E100-R102 IonicContact OE2-NE 2.69Å; E100-R102 PolarHBondContact OE2-NE 3.4Å; E100-R102 IonicContact OE2-NH2 3.62Å; E100-R102 PolarHBondContact OE2-NH2 2.95Å; E100-Y135 HydrophobicContact CB-CD2 4.05Å; E100-Y135 HydrophobicContact CB-CE2 4.25Å; E100-Y135 HydrophobicContact CG-CD2 4.09Å; E100-Y135 HydrophobicContact CG-CE2 3.79Å; E100-Y135 VanDerWaalsContact OE1-CE2 3.26Å; E100-Y135 WeakPolarHBondContact OE1-CE2 3.38Å; E100-Y135 PolarHBondContact OE1-OH 3.39Å; E100-A137 HydrophobicContact CG-CB 4.07Å; E100-Y139 PolarHBondContact OE1-OH 3.4Å
101R93.1Very high87.8Confident179 Ų17969.4 Ų69.468%0.67534%0.338SS*.  trans-98.191173.3-172.6176.3178.1143.6-0.5110.9I103 P136R101-I103 HydrophobicContact CG-CD1 4.47Å; R101-I103 HydrophobicContact CG-CG1 4.3Å; R101-P136 HydrophobicContact CB-CG 4.1Å; R101-P136 PolarHBondContact N-O 3.24Å
102R92.9Very high86.1Confident59 Ų5974.8 Ų74.822%0.22336%0.361CS..  trans-85.4125.8179.5-52.7-172.9172.7-1800.1110.9Y78 L96 E100 F133Y78-R102 HydrophobicContact CD1-CB 3.72Å; Y78-R102 HydrophobicContact CD2-CB 4.31Å; Y78-R102 HydrophobicContact CE1-CB 3.8Å; Y78-R102 WeakPolarHBondContact CE1-O 3.02Å; Y78-R102 HydrophobicContact CE2-CB 4.38Å; Y78-R102 HydrophobicContact CG-CB 4Å; L96-R102 VanDerWaalsContact CD1-CZ 3.49Å; L96-R102 VanDerWaalsContact CD1-NH2 3.28Å; E100-R102 HydrophobicContact CB-CG 4.29Å; E100-R102 PolarHBondContact O-N 2.95Å; E100-R102 IonicContact OE2-CZ 3.36Å; E100-R102 IonicContact OE2-NE 2.69Å; E100-R102 PolarHBondContact OE2-NE 3.4Å; E100-R102 IonicContact OE2-NH2 3.62Å; E100-R102 PolarHBondContact OE2-NH2 2.95Å; R102-F133 HydrophobicContact CB-CE2 4.31Å; R102-F133 HydrophobicContact CB-CZ 3.89Å; R102-F133 HydrophobicContact CG-CZ 3.7Å
103I91.1Very high84.6Confident90 Ų9073.6 Ų73.646%0.46235%0.353SS..  trans-124.2-80.5-177.3-53.2174.9000111Y78 R101Y78-I103 WeakPolarHBondContact CD1-O 3.47Å; Y78-I103 PolarHBondContact N-O 3.35Å; R101-I103 HydrophobicContact CG-CD1 4.47Å; R101-I103 HydrophobicContact CG-CG1 4.3Å
104N94.1Very high82.8Confident73 Ų7377.4 Ų77.439%0.3937%0.371SS..EExtended strand (participates in β ladder)trans-131.4159.2-173.9-66.9-30.5000110.5I75 V76 P77I75-N104 HydrophobicContact CG2-CB 3.53Å; V76-N104 CarbonylContact O-C 3.54Å; V76-N104 WeakPolarHBondContact O-CA 3.34Å; P77-N104 WeakPolarHBondContact CA-OD1 3.49Å
105V94.6Very high81.7Confident0 Ų079.1 Ų79.10%037%0.374CS..EExtended strand (participates in β ladder)trans-120.5142.7177.4175.80000108.2I75 V76 V81 L83 L107 V131 F133I75-V105 WeakPolarHBondContact CA-O 3.25Å; V76-V105 HydrophobicContact CG2-CB 4.49Å; V76-V105 PolarHBondContact N-O 3.25Å; V76-V105 PolarHBondContact O-N 3.16Å; V81-V105 HydrophobicContact CG2-CB 4.12Å; V81-V105 HydrophobicContact CG2-CG1 4.17Å; V81-V105 HydrophobicContact CG2-CG2 3.83Å; L83-V105 HydrophobicContact CD2-CG2 4.4Å; V105-L107 HydrophobicContact CG1-CD2 4.37Å; V105-V131 HydrophobicContact CG1-CG1 3.21Å; V105-F133 HydrophobicContact CG2-CB 4.15Å; V105-F133 HydrophobicContact CG2-CD2 3.45Å; V105-F133 VanDerWaalsContact CG2-CD2 3.45Å; V105-F133 HydrophobicContact CG2-CE2 4.08Å; V105-F133 HydrophobicContact CG2-CG 4.01Å
106I94.2Very high80.9Confident42 Ų4274.6 Ų74.622%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-99.8123.7176-58163.2000107.7I74 I75 T132 R134I74-I106 WeakPolarHBondContact O-CA 3.28Å; I75-I106 HydrophobicContact CG1-CG1 4.24Å; I106-T132 PolarHBondContact N-O 3.43Å; I106-T132 PolarHBondContact O-N 2.93Å; I106-R134 VanDerWaalsContact CD1-CZ 3.44Å
107L93.8Very high80.1Confident0 Ų080.8 Ų80.80%037%0.372CS..EExtended strand (participates in β ladder)trans-100.5132170.6-55.9175.3000108.1F6 L61 W63 S73 I74 V76 V81 V105 V131F6-L107 HydrophobicContact CE2-CD1 4.4Å; F6-L107 HydrophobicContact CZ-CD1 3.95Å; L61-L107 HydrophobicContact CD1-CD1 4.12Å; L61-L107 HydrophobicContact CD1-CD2 3.82Å; W63-L107 HydrophobicContact CH2-CB 3.87Å; W63-L107 HydrophobicContact CZ3-CB 3.99Å; S73-L107 CarbonylContact C-O 3.56Å; S73-L107 WeakPolarHBondContact CA-O 3.35Å; I74-L107 HydrophobicContact CD1-CD1 3.99Å; I74-L107 HydrophobicContact CG1-CB 3.89Å; I74-L107 HydrophobicContact CG1-CD1 4.17Å; I74-L107 HydrophobicContact CG1-CG 4.43Å; I74-L107 PolarHBondContact N-O 3.32Å; I74-L107 PolarHBondContact O-N 3.11Å; V76-L107 HydrophobicContact CG1-CD1 4.28Å; V76-L107 HydrophobicContact CG2-CD1 3.8Å; V76-L107 HydrophobicContact CG2-CG 4.04Å; V81-L107 HydrophobicContact CG1-CD1 4.5Å; V81-L107 HydrophobicContact CG1-CD2 4.3Å; V105-L107 HydrophobicContact CG1-CD2 4.37Å; L107-V131 HydrophobicContact CD2-CB 4.2Å; L107-V131 HydrophobicContact CD2-CG1 3.88Å; L107-V131 HydrophobicContact CD2-CG2 3.7Å
108S91.4Very high79.4Confident13 Ų1376.4 Ų76.49%0.09135%0.348CS..EExtended strand (participates in β ladder)trans-127.7124175.4-171.80000110.2D72 Q110 A129 T130D72-S108 CarbonylContact O-C 3.6Å; D72-S108 WeakPolarHBondContact O-CA 3.5Å; S108-Q110 PolarHBondContact OG-O 3.47Å; S108-A129 CarbonylContact O-C 3.57Å; S108-A129 WeakPolarHBondContact O-CA 3.44Å; S108-T130 PolarHBondContact N-O 3.15Å; S108-T130 PolarHBondContact O-N 3.45Å
109S83.8Confident78.9Confident15 Ų1571.8 Ų71.811%0.10533%0.328CS..SBendtrans-73.6-33.5172.9175.60000111.2W63 D72W63-S109 PolarHBondContact O-OG 3.11Å; D72-S109 PolarHBondContact O-N 2.81Å
110Q70.5Confident77.7Confident100 Ų10073.6 Ų73.647%0.46734%0.339SS..SBendtrans-93.5134.3177.8-64.6-172.148.800111.7D72 S108 N112D72-Q110 HydrophobicContact CB-CG 4.28Å; S108-Q110 PolarHBondContact OG-O 3.47Å; Q110-N112 PolarHBondContact O-N 3.13Å
111T63.1Low76.1Confident46 Ų4677 Ų7728%0.28236%0.358SS..  trans-82.373.7-178.147.10000111.2H113 Q114T111-H113 PolarHBondContact O-N 3.25Å; T111-H113 VanDerWaalsContact O-N 3.11Å; T111-Q114 VanDerWaalsContact O-CG 3.26Å; T111-Q114 WeakPolarHBondContact O-CG 3.21Å; T111-Q114 PolarHBondContact O-N 2.97Å; T111-Q114 PolarHBondContact OG1-NE2 3.24Å
112N58.7Low74.1Confident132 Ų13275.4 Ų75.471%0.70637%0.368SS*.THydrogen-bonded Turntrans-62.5-15.5165.5-75.6-12.8000112Q110 Q114Q110-N112 PolarHBondContact O-N 3.13Å; N112-Q114 VanDerWaalsContact C-N 3.27Å; N112-Q114 PolarHBondContact O-N 2.88Å
113H60.4Low72.1Confident57 Ų5776 Ų7626%0.26438%0.381SS..THydrogen-bonded Turntrans-84.921.5176.3-64.4-68.7000114.7T111 K115 I116T111-H113 PolarHBondContact O-N 3.25Å; T111-H113 VanDerWaalsContact O-N 3.11Å; H113-K115 PolarHBondContact O-N 3.34Å; H113-I116 HydrophobicContact CB-CD1 3.82Å; H113-I116 HydrophobicContact CB-CG1 4.27Å; H113-I116 PolarHBondContact O-N 3.09Å
114Q52.6Low70.3Confident144 Ų14478.3 Ų78.367%0.67339%0.394SS*.THydrogen-bonded Turntrans-53.2-14.2176.2-85.9169.911.400114.8T111 N112 T120T111-Q114 VanDerWaalsContact O-CG 3.26Å; T111-Q114 WeakPolarHBondContact O-CG 3.21Å; T111-Q114 PolarHBondContact O-N 2.97Å; T111-Q114 PolarHBondContact OG1-NE2 3.24Å; N112-Q114 VanDerWaalsContact C-N 3.27Å; N112-Q114 PolarHBondContact O-N 2.88Å; Q114-T120 WeakPolarHBondContact O-CG2 3.44Å
115K59.9Low68.5Low200 Ų20081.8 Ų81.887%0.8742%0.419SS*.THydrogen-bonded Turntrans-80.4-13175.1-65.5-175.2-180-179.20114.8H113 R117H113-K115 PolarHBondContact O-N 3.34Å; K115-R117 PolarHBondContact O-N 3.28Å
116I69.8Low67Low9 Ų984.9 Ų84.95%0.04644%0.438CS..  trans-86.197.8-177.4-52.1175.2000109.5I55 H113 Y118 L119 T120 Y176I55-I116 HydrophobicContact CD1-CD1 3.81Å; I55-I116 HydrophobicContact CG2-CD1 4.39Å; H113-I116 HydrophobicContact CB-CD1 3.82Å; H113-I116 HydrophobicContact CB-CG1 4.27Å; H113-I116 PolarHBondContact O-N 3.09Å; I116-Y118 PolarHBondContact O-N 2.9Å; I116-L119 HydrophobicContact CB-CB 4.31Å; I116-L119 HydrophobicContact CB-CD1 4.22Å; I116-L119 HydrophobicContact CB-CG 4.35Å; I116-L119 HydrophobicContact CD1-CD1 3.86Å; I116-L119 HydrophobicContact CG2-CB 4.27Å; I116-L119 HydrophobicContact CG2-CD1 4Å; I116-L119 HydrophobicContact CG2-CG 3.88Å; I116-L119 PolarHBondContact O-N 3.02Å; I116-T120 PolarHBondContact O-N 2.78Å; I116-Y176 HydrophobicContact CD1-CD2 3.8Å; I116-Y176 HydrophobicContact CD1-CE2 3.48Å; I116-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I116-Y176 HydrophobicContact CG1-CD2 4.05Å; I116-Y176 HydrophobicContact CG1-CE2 3.59Å
117R66.9Low66.3Low202 Ų20287.7 Ų87.776%0.76245%0.45SS*.THydrogen-bonded Turntrans-47.7-33.6-175.3-173.2179.2-179.7-175.60.4114.8K115 T120K115-R117 PolarHBondContact O-N 3.28Å; R117-T120 PolarHBondContact O-OG1 3.16Å
118Y72.1Confident66Low95 Ų9588.2 Ų88.237%0.37345%0.453SS..THydrogen-bonded Turntrans-87.8-14-175.4-48.3-75.6000114.1N26 I116 F174N26-Y118 PolarHBondContact ND2-O 3.28Å; I116-Y118 PolarHBondContact O-N 2.9Å; Y118-F174 HydrophobicContact CD1-CB 4.45Å; Y118-F174 AromaticContact CD1-CD1 3.32Å; Y118-F174 HydrophobicContact CD1-CD1 3.32Å; Y118-F174 HydrophobicContact CD1-CD2 4.28Å; Y118-F174 AromaticContact CD1-CE1 3.45Å; Y118-F174 HydrophobicContact CD1-CE1 3.45Å; Y118-F174 VanDerWaalsContact CD1-CE1 3.45Å; Y118-F174 HydrophobicContact CD1-CE2 4.37Å; Y118-F174 AromaticContact CD1-CG 3.77Å; Y118-F174 HydrophobicContact CD1-CG 3.77Å; Y118-F174 AromaticContact CD1-CZ 3.99Å; Y118-F174 HydrophobicContact CD1-CZ 3.99Å; Y118-F174 HydrophobicContact CD2-CB 3.64Å; Y118-F174 AromaticContact CD2-CD1 3.99Å; Y118-F174 HydrophobicContact CD2-CD1 3.99Å; Y118-F174 AromaticContact CD2-CG 3.87Å; Y118-F174 HydrophobicContact CD2-CG 3.87Å; Y118-F174 AromaticContact CE1-CD1 3.47Å; Y118-F174 HydrophobicContact CE1-CD1 3.47Å; Y118-F174 VanDerWaalsContact CE1-CD1 3.47Å; Y118-F174 AromaticContact CE1-CE1 3.67Å; Y118-F174 HydrophobicContact CE1-CE1 3.67Å; Y118-F174 HydrophobicContact CE1-CG 4.28Å; Y118-F174 HydrophobicContact CE2-CB 4.1Å; Y118-F174 HydrophobicContact CE2-CD1 4.12Å; Y118-F174 HydrophobicContact CE2-CG 4.37Å; Y118-F174 HydrophobicContact CG-CB 3.84Å; Y118-F174 AromaticContact CG-CD1 3.6Å; Y118-F174 HydrophobicContact CG-CD1 3.6Å; Y118-F174 HydrophobicContact CG-CD2 4.02Å; Y118-F174 HydrophobicContact CG-CE1 4.12Å; Y118-F174 HydrophobicContact CG-CE2 4.47Å; Y118-F174 AromaticContact CG-CG 3.53Å; Y118-F174 HydrophobicContact CG-CG 3.53Å; Y118-F174 AromaticContact CZ-CD1 3.87Å
119L73.5Confident66Low14 Ų1487.6 Ų87.67%0.07345%0.449CS..THydrogen-bonded Turntrans-98.6-14.8175.2-64.2-179.2000112N26 I55 K57 I116 D121N26-L119 HydrophobicContact CB-CD2 4.18Å; N26-L119 WeakPolarHBondContact O-CD2 3.4Å; I55-L119 HydrophobicContact CB-CD1 4.12Å; I55-L119 HydrophobicContact CG2-CD1 3.57Å; K57-L119 WeakPolarHBondContact CE-O 3.5Å; K57-L119 PolarHBondContact NZ-O 2.91Å; I116-L119 HydrophobicContact CB-CB 4.31Å; I116-L119 HydrophobicContact CB-CD1 4.22Å; I116-L119 HydrophobicContact CB-CG 4.35Å; I116-L119 HydrophobicContact CD1-CD1 3.86Å; I116-L119 HydrophobicContact CG2-CB 4.27Å; I116-L119 HydrophobicContact CG2-CD1 4Å; I116-L119 HydrophobicContact CG2-CG 3.88Å; I116-L119 PolarHBondContact O-N 3.02Å; L119-D121 PolarHBondContact O-N 3.3Å
120T62.3Low66.3Low58 Ų5887 Ų8736%0.35644%0.444SS..  trans-78.895.8172.9520000109.6Q114 I116 R117 T122Q114-T120 WeakPolarHBondContact O-CG2 3.44Å; I116-T120 PolarHBondContact O-N 2.78Å; R117-T120 PolarHBondContact O-OG1 3.16Å; T120-T122 PolarHBondContact O-N 3.3Å
121D58.7Low67.5Low90 Ų9082.2 Ų82.248%0.48142%0.422SS..  trans-71.3113.1164.4-164.4-18.1000107.4L119 S123L119-D121 PolarHBondContact O-N 3.3Å; D121-S123 PolarHBondContact O-N 3.43Å; D121-S123 PolarHBondContact OD1-N 2.63Å; D121-S123 PolarHBondContact OD1-OG 3.34Å
122T52.2Low69Low145 Ų14580.3 Ų80.389%0.8941%0.411SS*.SBendtrans-72.3-7.817637.70000112.1T120T120-T122 PolarHBondContact O-N 3.3Å
123S51Low70.7Confident71 Ų7174.1 Ų74.150%0.49738%0.378SS..SBendtrans-110.4108.9179.568.30000111.8D121D121-S123 PolarHBondContact O-N 3.43Å; D121-S123 PolarHBondContact OD1-N 2.63Å; D121-S123 PolarHBondContact OD1-OG 3.34Å
124N52.3Low72.4Confident138 Ų13878.5 Ų78.574%0.73839%0.392SS*.SBendtrans52101.6165.5-66.3-16.5000117.7T126N124-T126 PolarHBondContact O-N 3.21Å
125T56.4Low74.4Confident147 Ų14771.9 Ų71.990%0.90236%0.361SS*.  trans14.750.3139.317.20000118.6E127T125-E127 PolarHBondContact O-N 3.36Å; T125-E127 VanDerWaalsContact O-N 3.14Å
126T64.4Low76.1Confident65 Ų6564.1 Ų64.140%0.39933%0.331SS..  trans-75.8109.4170.243.20000108.1N124 S128N124-T126 PolarHBondContact O-N 3.21Å; T126-S128 PolarHBondContact O-N 3.35Å; T126-S128 PolarHBondContact O-OG 3.38Å
127E79.6Confident77.2Confident101 Ų10163.8 Ų63.847%0.47233%0.329SS..  trans-50.9101.1169.3-72.2-168.515300109.8Y62 T125Y62-E127 HydrophobicContact CD1-CB 3.54Å; Y62-E127 HydrophobicContact CD1-CG 3.99Å; Y62-E127 HydrophobicContact CD2-CB 3.91Å; Y62-E127 HydrophobicContact CE1-CB 3.67Å; Y62-E127 HydrophobicContact CE1-CG 3.55Å; Y62-E127 VanDerWaalsContact CE1-OE1 3.29Å; Y62-E127 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E127 WeakPolarHBondContact CE1-OE2 3.29Å; Y62-E127 HydrophobicContact CE2-CB 4.05Å; Y62-E127 HydrophobicContact CE2-CG 4.15Å; Y62-E127 HydrophobicContact CG-CB 3.62Å; Y62-E127 HydrophobicContact CG-CG 4.41Å; Y62-E127 PolarHBondContact OH-OE1 3.08Å; T125-E127 PolarHBondContact O-N 3.36Å; T125-E127 VanDerWaalsContact O-N 3.14Å
128S87Confident78.6Confident11 Ų1158 Ų588%0.07731%0.312CS..  trans-143146.7-176.150.70000109.7D58 T126D58-S128 WeakPolarHBondContact O-CA 3.49Å; T126-S128 PolarHBondContact O-N 3.35Å; T126-S128 PolarHBondContact O-OG 3.38Å
129A89.8Confident79.7Confident0 Ų053.8 Ų53.80%030%0.296CS..EExtended strand (participates in β ladder)trans-91.7140.6169.200000109.6K57 D58 L61 W63 S108K57-A129 CarbonylContact C-O 3.55Å; K57-A129 WeakPolarHBondContact CA-O 3.31Å; D58-A129 PolarHBondContact N-O 3.04Å; D58-A129 PolarHBondContact O-N 3.13Å; L61-A129 HydrophobicContact CB-CB 4.06Å; L61-A129 VanDerWaalsContact O-CB 3.26Å; L61-A129 WeakPolarHBondContact O-CB 3.49Å; W63-A129 HydrophobicContact CZ3-CB 4.03Å; S108-A129 CarbonylContact O-C 3.57Å; S108-A129 WeakPolarHBondContact O-CA 3.44Å
130T91.8Very high80.8Confident1 Ų157.3 Ų57.31%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-83.1122.2169.1-54.80000108.6I55 S108I55-T130 HydrophobicContact CG2-CG2 3.62Å; S108-T130 PolarHBondContact N-O 3.15Å; S108-T130 PolarHBondContact O-N 3.45Å
131V94.3Very high82.4Confident0 Ų054.6 Ų54.60%029%0.294CS..EExtended strand (participates in β ladder)trans-99.2120.8179-170.30000108I55 W56 D58 V105 L107I55-V131 WeakPolarHBondContact CA-O 3.33Å; W56-V131 HydrophobicContact CD2-CB 3.93Å; W56-V131 HydrophobicContact CD2-CG1 4.27Å; W56-V131 HydrophobicContact CE3-CB 4.44Å; W56-V131 HydrophobicContact CG-CB 4.38Å; W56-V131 HydrophobicContact CH2-CB 4.28Å; W56-V131 HydrophobicContact CH2-CG1 3.56Å; W56-V131 HydrophobicContact CZ2-CB 3.76Å; W56-V131 HydrophobicContact CZ2-CG1 3.22Å; W56-V131 HydrophobicContact CZ2-CG2 4.41Å; W56-V131 HydrophobicContact CZ3-CG1 4.21Å; W56-V131 PolarHBondContact N-O 2.95Å; W56-V131 VanDerWaalsContact N-O 3.1Å; W56-V131 PolarHBondContact O-N 3.13Å; D58-V131 HydrophobicContact CB-CG2 3.62Å; V105-V131 HydrophobicContact CG1-CG1 3.21Å; L107-V131 HydrophobicContact CD2-CB 4.2Å; L107-V131 HydrophobicContact CD2-CG1 3.88Å; L107-V131 HydrophobicContact CD2-CG2 3.7Å
132T94.6Very high84.1Confident7 Ų753.5 Ų53.54%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-114.9109.7176.6-59.40000109.1V53 I55 I106 R134V53-T132 HydrophobicContact CG1-CG2 3.92Å; I55-T132 HydrophobicContact CG1-CG2 4.34Å; I106-T132 PolarHBondContact N-O 3.43Å; I106-T132 PolarHBondContact O-N 2.93Å; T132-R134 HydrophobicContact CG2-CG 3.97Å
133F95.7Very high86.2Confident2 Ų246.9 Ų46.91%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-105.4116.4178-178-144.6000109.9V53 Q54 W56 L83 R102 V105 Y135V53-F133 CarbonylContact C-O 3.42Å; V53-F133 WeakPolarHBondContact CA-O 3.36Å; Q54-F133 PolarHBondContact N-O 3.22Å; Q54-F133 PolarHBondContact O-N 2.61Å; W56-F133 HydrophobicContact CH2-CB 3.7Å; W56-F133 HydrophobicContact CH2-CG 4.42Å; W56-F133 HydrophobicContact CZ3-CB 3.6Å; L83-F133 HydrophobicContact CD1-CE1 4.17Å; L83-F133 HydrophobicContact CD1-CZ 4.31Å; L83-F133 HydrophobicContact CD2-CD1 4.01Å; L83-F133 HydrophobicContact CD2-CE1 4.21Å; L83-F133 HydrophobicContact CD2-CG 4.3Å; R102-F133 HydrophobicContact CB-CE2 4.31Å; R102-F133 HydrophobicContact CB-CZ 3.89Å; R102-F133 HydrophobicContact CG-CZ 3.7Å; V105-F133 HydrophobicContact CG2-CB 4.15Å; V105-F133 HydrophobicContact CG2-CD2 3.45Å; V105-F133 VanDerWaalsContact CG2-CD2 3.45Å; V105-F133 HydrophobicContact CG2-CE2 4.08Å; V105-F133 HydrophobicContact CG2-CG 4.01Å; F133-Y135 AromaticContact CD1-CD1 3.67Å; F133-Y135 HydrophobicContact CD1-CD1 3.67Å; F133-Y135 AromaticContact CD1-CE1 3.74Å; F133-Y135 HydrophobicContact CD1-CE1 3.74Å; F133-Y135 HydrophobicContact CD2-CD1 4.29Å; F133-Y135 AromaticContact CE1-CD1 3.42Å; F133-Y135 HydrophobicContact CE1-CD1 3.42Å; F133-Y135 VanDerWaalsContact CE1-CD1 3.42Å; F133-Y135 AromaticContact CE1-CE1 3.61Å; F133-Y135 HydrophobicContact CE1-CE1 3.61Å; F133-Y135 HydrophobicContact CE1-CG 4.33Å; F133-Y135 HydrophobicContact CE2-CD1 4.1Å; F133-Y135 HydrophobicContact CG-CD1 4.11Å; F133-Y135 AromaticContact CZ-CD1 3.67Å; F133-Y135 HydrophobicContact CZ-CD1 3.67Å; F133-Y135 HydrophobicContact CZ-CE1 4.3Å; F133-Y135 HydrophobicContact CZ-CG 4.22Å
134R94.6Very high88Confident149 Ų14949.1 Ų49.156%0.56225%0.248SC*.EExtended strand (participates in β ladder)trans-115.5129.3179.7-47.2-174.6-160.6160.74.7108.7T52 V53 I106 T132T52-R134 WeakPolarHBondContact O-CA 3.4Å; V53-R134 HydrophobicContact CB-CG 4.47Å; V53-R134 HydrophobicContact CG1-CG 4.02Å; V53-R134 HydrophobicContact CG2-CB 4.16Å; V53-R134 HydrophobicContact CG2-CG 3.88Å; I106-R134 VanDerWaalsContact CD1-CZ 3.44Å; T132-R134 HydrophobicContact CG2-CG 3.97Å
135Y95.2Very high89.8Confident5 Ų542.5 Ų42.52%0.0221%0.213CC..EExtended strand (participates in β ladder)trans-149.4140.1176.359.7-86.2000110.4T52 Q54 E100 F133 A137 Y139T52-Y135 HydrophobicContact CG2-CE1 4.07Å; T52-Y135 HydrophobicContact CG2-CE2 4.3Å; T52-Y135 WeakPolarHBondContact CG2-OH 3.49Å; T52-Y135 PolarHBondContact N-O 3.32Å; T52-Y135 PolarHBondContact O-N 2.6Å; Q54-Y135 HydrophobicContact CG-CE1 4.19Å; Q54-Y135 PolarHBondContact NE2-OH 2.7Å; E100-Y135 HydrophobicContact CB-CD2 4.05Å; E100-Y135 HydrophobicContact CB-CE2 4.25Å; E100-Y135 HydrophobicContact CG-CD2 4.09Å; E100-Y135 HydrophobicContact CG-CE2 3.79Å; E100-Y135 VanDerWaalsContact OE1-CE2 3.26Å; E100-Y135 WeakPolarHBondContact OE1-CE2 3.38Å; E100-Y135 PolarHBondContact OE1-OH 3.39Å; F133-Y135 AromaticContact CD1-CD1 3.67Å; F133-Y135 HydrophobicContact CD1-CD1 3.67Å; F133-Y135 AromaticContact CD1-CE1 3.74Å; F133-Y135 HydrophobicContact CD1-CE1 3.74Å; F133-Y135 HydrophobicContact CD2-CD1 4.29Å; F133-Y135 AromaticContact CE1-CD1 3.42Å; F133-Y135 HydrophobicContact CE1-CD1 3.42Å; F133-Y135 VanDerWaalsContact CE1-CD1 3.42Å; F133-Y135 AromaticContact CE1-CE1 3.61Å; F133-Y135 HydrophobicContact CE1-CE1 3.61Å; F133-Y135 HydrophobicContact CE1-CG 4.33Å; F133-Y135 HydrophobicContact CE2-CD1 4.1Å; F133-Y135 HydrophobicContact CG-CD1 4.11Å; F133-Y135 AromaticContact CZ-CD1 3.67Å; F133-Y135 HydrophobicContact CZ-CD1 3.67Å; F133-Y135 HydrophobicContact CZ-CE1 4.3Å; F133-Y135 HydrophobicContact CZ-CG 4.22Å; Y135-A137 HydrophobicContact CD2-CB 4.09Å; Y135-A137 HydrophobicContact CE2-CB 3.98Å; Y135-Y139 PolarHBondContact OH-OH 3.37Å
136P95.2Very high91.3Very high37 Ų3738.6 Ų38.624%0.2419%0.187CC..EExtended strand (participates in β ladder)trans-76.9140.916731.7-31.1000109.5Y49 R101Y49-P136 HydrophobicContact CE2-CB 3.87Å; R101-P136 HydrophobicContact CB-CG 4.1Å; R101-P136 PolarHBondContact N-O 3.24Å
137A94.6Very high92.4Very high1 Ų135.8 Ų35.81%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-137.1140.2-17700000111.7Y49 M50 S99 E100 Y135 Y139Y49-A137 WeakPolarHBondContact CD2-O 3.38Å; M50-A137 PolarHBondContact N-O 3.34Å; M50-A137 PolarHBondContact O-N 2.84Å; S99-A137 CarbonylContact O-C 3.52Å; S99-A137 WeakPolarHBondContact O-CA 3.29Å; E100-A137 HydrophobicContact CG-CB 4.07Å; Y135-A137 HydrophobicContact CD2-CB 4.09Å; Y135-A137 HydrophobicContact CE2-CB 3.98Å; A137-Y139 HydrophobicContact CB-CD1 4.45Å; A137-Y139 HydrophobicContact CB-CD2 4.15Å; A137-Y139 HydrophobicContact CB-CE1 3.89Å; A137-Y139 HydrophobicContact CB-CE2 3.57Å; A137-Y139 VanDerWaalsContact CB-CZ 3.41Å
138I95.6Very high92.7Very high80 Ų8032.9 Ų32.941%0.4116%0.157SC..EExtended strand (participates in β ladder)trans-104.6103.7169.1-60.7170.1000107V47 L48 Y49 S99V47-I138 HydrophobicContact CG1-CG2 3.5Å; V47-I138 VanDerWaalsContact CG1-CG2 3.5Å; L48-I138 CarbonylContact O-C 3.45Å; L48-I138 VanDerWaalsContact O-CA 3.32Å; L48-I138 WeakPolarHBondContact O-CA 3.41Å; Y49-I138 HydrophobicContact CD2-CG1 3.85Å; Y49-I138 HydrophobicContact CE2-CG1 4.38Å; S99-I138 PolarHBondContact O-N 3.1Å
139Y95.4Very high92.7Very high8 Ų834.8 Ų34.83%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-94.2111.5179.9-66.9-56.2000110.3V47 L48 M50 T52 L88 E100 Y135 A137 M159 F161V47-Y139 WeakPolarHBondContact CA-O 3.37Å; L48-Y139 PolarHBondContact N-O 2.85Å; L48-Y139 PolarHBondContact O-N 3.2Å; M50-Y139 HydrophobicContact CB-CD2 4.17Å; M50-Y139 HydrophobicContact CB-CE2 4.29Å; M50-Y139 HydrophobicContact CG-CD2 4.31Å; M50-Y139 HydrophobicContact SD-CD2 3.86Å; M50-Y139 HydrophobicContact SD-CE2 4.45Å; T52-Y139 PolarHBondContact OG1-OH 3.48Å; L88-Y139 HydrophobicContact CD2-CD1 3.73Å; L88-Y139 HydrophobicContact CD2-CG 4.09Å; E100-Y139 PolarHBondContact OE1-OH 3.4Å; Y135-Y139 PolarHBondContact OH-OH 3.37Å; A137-Y139 HydrophobicContact CB-CD1 4.45Å; A137-Y139 HydrophobicContact CB-CD2 4.15Å; A137-Y139 HydrophobicContact CB-CE1 3.89Å; A137-Y139 HydrophobicContact CB-CE2 3.57Å; A137-Y139 VanDerWaalsContact CB-CZ 3.41Å; Y139-M159 VanDerWaalsContact CB-CE 3.41Å; Y139-M159 HydrophobicContact CD2-CE 3.73Å; Y139-M159 HydrophobicContact CG-CE 3.67Å; Y139-F161 HydrophobicContact CD1-CE1 4.23Å; Y139-F161 HydrophobicContact CD1-CZ 4.18Å; Y139-F161 AromaticContact CD2-CZ 3.89Å; Y139-F161 HydrophobicContact CD2-CZ 3.89Å; Y139-F161 AromaticContact CE1-CE1 3.71Å; Y139-F161 HydrophobicContact CE1-CE1 3.71Å; Y139-F161 AromaticContact CE1-CZ 3.98Å; Y139-F161 HydrophobicContact CE1-CZ 3.98Å; Y139-F161 HydrophobicContact CE2-CE1 4.05Å; Y139-F161 AromaticContact CE2-CZ 3.64Å; Y139-F161 HydrophobicContact CE2-CZ 3.64Å; Y139-F161 HydrophobicContact CG-CZ 4.15Å; Y139-F161 AromaticContact CZ-CE1 3.6Å; Y139-F161 AromaticContact CZ-CZ 3.71Å
140K95.8Very high92.6Very high88 Ų8836.4 Ų36.438%0.38317%0.169SC..EExtended strand (participates in β ladder)trans-101.3117.1169.9-177.9175.5-177.5176.60109.3V46 V47 G91 L92V46-K140 WeakPolarHBondContact O-CA 3.33Å; V47-K140 HydrophobicContact CG2-CB 4.17Å; V47-K140 HydrophobicContact CG2-CD 4.25Å; V47-K140 HydrophobicContact CG2-CG 3.91Å; G91-K140 CarbonylContact C-O 3.52Å; G91-K140 WeakPolarHBondContact CA-O 3.25Å; L92-K140 HydrophobicContact CB-CD 4.36Å; L92-K140 HydrophobicContact CB-CG 4.12Å; L92-K140 HydrophobicContact CD1-CG 4.16Å; L92-K140 PolarHBondContact N-O 3.21Å
141F96.1Very high92.4Very high0 Ų036.6 Ų36.60%017%0.17CC..EExtended strand (participates in β ladder)trans-139.4161.4-175.866.2-82.5000112.8T45 V46 L48 L88 N90 C143 C157 M159T45-F141 WeakPolarHBondContact CA-O 3.5Å; V46-F141 HydrophobicContact CB-CD1 4.4Å; V46-F141 HydrophobicContact CB-CE1 3.81Å; V46-F141 HydrophobicContact CB-CE2 4.24Å; V46-F141 HydrophobicContact CB-CZ 3.72Å; V46-F141 HydrophobicContact CG1-CE1 3.85Å; V46-F141 HydrophobicContact CG1-CZ 3.87Å; V46-F141 HydrophobicContact CG2-CZ 4.41Å; V46-F141 PolarHBondContact N-O 3.46Å; V46-F141 WeakPolarHBondContact O-CD1 3.31Å; V46-F141 PolarHBondContact O-N 2.93Å; L48-F141 HydrophobicContact CD1-CE1 3.75Å; L48-F141 HydrophobicContact CD1-CZ 4.22Å; L48-F141 HydrophobicContact CG-CE1 3.92Å; L88-F141 HydrophobicContact CD2-CB 4.1Å; N90-F141 WeakPolarHBondContact O-CA 3.34Å; N90-F141 WeakPolarHBondContact O-CB 2.91Å; F141-C143 HydrophobicContact CE2-CB 4.25Å; F141-C157 HydrophobicContact CE2-CB 3.94Å; F141-C157 HydrophobicContact CZ-CB 4.18Å; F141-M159 HydrophobicContact CD1-CE 3.97Å; F141-M159 HydrophobicContact CD1-CG 3.77Å; F141-M159 HydrophobicContact CD1-SD 4.13Å; F141-M159 HydrophobicContact CD2-CG 3.88Å; F141-M159 HydrophobicContact CE1-CE 4.02Å; F141-M159 HydrophobicContact CE1-CG 3.46Å; F141-M159 VanDerWaalsContact CE1-CG 3.46Å; F141-M159 HydrophobicContact CE1-SD 3.62Å; F141-M159 HydrophobicContact CE2-CG 3.58Å; F141-M159 HydrophobicContact CG-CG 3.98Å; F141-M159 HydrophobicContact CZ-CG 3.36Å; F141-M159 HydrophobicContact CZ-SD 3.96Å
142T95.5Very high92.2Very high67 Ų6737.8 Ų37.841%0.41118%0.175SC..EExtended strand (participates in β ladder)trans-80.4135176.6580000111.3Q44 N90 L92Q44-T142 WeakPolarHBondContact O-CA 3.42Å; N90-T142 PolarHBondContact ND2-O 3.5Å; N90-T142 PolarHBondContact O-N 3.03Å; N90-T142 VanDerWaalsContact O-N 3.07Å; L92-T142 HydrophobicContact CD1-CG2 4Å; L92-T142 HydrophobicContact CD2-CG2 3.54Å; L92-T142 HydrophobicContact CG-CG2 3.86Å
143C94.6Very high92Very high6 Ų637.7 Ų37.74%0.04117%0.174CC..  trans-140122.4174173.90000109.4Q44 V46 F141 M145 F156 C157Q44-C143 CarbonylContact C-O 3.45Å; Q44-C143 WeakPolarHBondContact CB-O 3.35Å; Q44-C143 PolarHBondContact O-N 3.36Å; V46-C143 HydrophobicContact CG2-CB 3.91Å; F141-C143 HydrophobicContact CE2-CB 4.25Å; C143-M145 HydrophobicContact CB-CE 3.99Å; C143-M145 PolarHBondContact O-N 3.31Å; C143-F156 PolarHBondContact SG-O 2.78Å; C143-C157 HydrophobicContact CB-CB 3.71Å; C143-C157 WeakPolarHBondContact CB-SG 3.41Å; C143-C157 WeakPolarHBondContact SG-CA 3.48Å; C143-C157 WeakPolarHBondContact SG-CB 3.41Å; C143-C157 CovalentContact SG-SG 2.03Å; C143-C157 PolarHBondContact SG-SG 3.44Å
144Y90.2Very high91.8Very high118 Ų11839.9 Ų39.946%0.46318%0.183SC..  trans-72.4114.1176.9-179-93.3000109.7T285 D287Y144-T285 HydrophobicContact CE2-CG2 4.44Å; Y144-D287 PolarHBondContact OH-OD2 3.17Å
145M89.4Confident91.7Very high0 Ų032.9 Ų32.90%016%0.156CC..  trans-92.5125.4-175.5-61.3-64.1-17700111I39 V46 C143 Q155I39-M145 HydrophobicContact CG2-CE 3.64Å; V46-M145 HydrophobicContact CG2-CE 3.39Å; C143-M145 HydrophobicContact CB-CE 3.99Å; C143-M145 PolarHBondContact O-N 3.31Å; M145-Q155 VanDerWaalsContact CA-OE1 3.22Å; M145-Q155 HydrophobicContact SD-CB 3.84Å; M145-Q155 HydrophobicContact SD-CG 3.62Å
146N87.3Confident91.6Very high65 Ų6534.7 Ų34.735%0.34816%0.164SC..  trans-95.699.4174.2-172.8-12.2000110.3L148 Q155 F288N146-L148 VanDerWaalsContact OD1-CB 3.24Å; N146-L148 WeakPolarHBondContact OD1-CB 3.3Å; N146-L148 PolarHBondContact OD1-N 2.92Å; N146-L148 VanDerWaalsContact OD1-N 3.15Å; N146-Q155 PolarHBondContact O-NE2 2.97Å; N146-F288 WeakPolarHBondContact OD1-CZ 3.31Å
147I87.3Confident91.6Very high5 Ų532.9 Ų32.93%0.02615%0.153CC..  trans-91.815.7-179.252.1146.1000114.2Y149 Y150 M282 P283 F288 P290I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.46Å; I147-Y150 WeakPolarHBondContact O-CB 3.21Å; I147-Y150 PolarHBondContact O-N 3.14Å; I147-M282 HydrophobicContact CD1-CB 3.77Å; I147-M282 HydrophobicContact CD1-CG 3.81Å; I147-M282 HydrophobicContact CD1-SD 3.91Å; I147-P283 HydrophobicContact CD1-CG 3.93Å; I147-P283 HydrophobicContact CG1-CG 3.98Å; I147-P283 HydrophobicContact CG2-CG 4.42Å; I147-F288 HydrophobicContact CB-CE2 4.47Å; I147-F288 HydrophobicContact CG1-CE2 3.73Å; I147-F288 HydrophobicContact CG1-CZ 3.87Å; I147-P290 HydrophobicContact CD1-CB 4.26Å; I147-P290 HydrophobicContact CD1-CG 4.27Å; I147-P290 WeakPolarHBondContact O-CB 3.44Å
148L87Confident91.7Very high41 Ų4135.6 Ų35.622%0.21516%0.163CC..THydrogen-bonded Turntrans-55.9-47.6-173.2178.663.1000111.6N146 F288 F291N146-L148 VanDerWaalsContact OD1-CB 3.24Å; N146-L148 WeakPolarHBondContact OD1-CB 3.3Å; N146-L148 PolarHBondContact OD1-N 2.92Å; N146-L148 VanDerWaalsContact OD1-N 3.15Å; L148-F288 VanDerWaalsContact CA-CE2 3.44Å; L148-F288 HydrophobicContact CB-CD2 3.81Å; L148-F288 HydrophobicContact CB-CE2 3.8Å; L148-F288 HydrophobicContact CB-CG 4.47Å; L148-F288 HydrophobicContact CB-CZ 4.46Å; L148-F288 HydrophobicContact CD1-CB 4.2Å; L148-F288 HydrophobicContact CD1-CD2 3.76Å; L148-F288 HydrophobicContact CD1-CG 4.2Å; L148-F288 HydrophobicContact CG-CD2 4.39Å; L148-F291 HydrophobicContact CD1-CD2 4.33Å; L148-F291 HydrophobicContact CD1-CE2 4.09Å; L148-F291 HydrophobicContact CG-CD2 4.26Å; L148-F291 HydrophobicContact CG-CE2 4.02Å; L148-F291 WeakPolarHBondContact O-CD2 3.32Å; L148-F291 PolarHBondContact O-N 3.24Å
149Y87.7Confident91.7Very high50 Ų5031.8 Ų31.820%0.19614%0.143CC..THydrogen-bonded Turntrans-9616.8-175.8-59.3-71.4000114.4I147 F152 F291 Y495 K499I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.46Å; Y149-F152 CarbonylContact O-C 3.58Å; Y149-F152 WeakPolarHBondContact O-CA 3.36Å; Y149-F152 PolarHBondContact O-N 3.41Å; Y149-F291 AromaticContact CD1-CD2 3.64Å; Y149-F291 HydrophobicContact CD1-CD2 3.64Å; Y149-F291 AromaticContact CD1-CE2 3.63Å; Y149-F291 HydrophobicContact CD1-CE2 3.63Å; Y149-F291 AromaticContact CE1-CD2 3.97Å; Y149-F291 HydrophobicContact CE1-CD2 3.97Å; Y149-F291 AromaticContact CE1-CE2 3.44Å; Y149-F291 HydrophobicContact CE1-CE2 3.44Å; Y149-F291 VanDerWaalsContact CE1-CE2 3.44Å; Y149-F291 HydrophobicContact CE1-CZ 4.41Å; Y149-Y495 HydrophobicContact CE1-CE1 4.04Å; Y149-K499 HydrophobicContact CD1-CB 3.83Å; Y149-K499 HydrophobicContact CE1-CB 3.33Å; Y149-K499 HydrophobicContact CE1-CG 4.12Å
150Y87.4Confident91.7Very high35 Ų3532.5 Ų32.514%0.13715%0.149CC..THydrogen-bonded Turntrans-49.6132.1177.6178.8-88.3000111.5I147 S228 L232 M282 I292I147-Y150 WeakPolarHBondContact O-CB 3.21Å; I147-Y150 PolarHBondContact O-N 3.14Å; Y150-S228 PolarHBondContact OH-OG 3.35Å; Y150-L232 HydrophobicContact CE1-CD1 4.47Å; Y150-M282 HydrophobicContact CD1-CE 3.53Å; Y150-M282 HydrophobicContact CD2-CE 4.39Å; Y150-M282 HydrophobicContact CE1-CE 3.81Å; Y150-M282 HydrophobicContact CG-CE 3.84Å; Y150-I292 HydrophobicContact CD1-CB 4.14Å; Y150-I292 HydrophobicContact CD1-CG1 4.4Å; Y150-I292 HydrophobicContact CD1-CG2 3.92Å
151P88Confident91.7Very high4 Ų428.6 Ų28.63%0.02613%0.131CC..THydrogen-bonded Turncis-94.412.17.838.5-37.9000115.3D153 P225 I233P151-D153 VanDerWaalsContact C-N 3.31Å; P151-P225 HydrophobicContact CB-CB 4.27Å; P151-P225 HydrophobicContact CG-CB 4.17Å; P151-I233 HydrophobicContact CG-CD1 4.15Å
152F89Confident91.6Very high25 Ų2528.6 Ų28.611%0.1113%0.131CC..SBendtrans-98.430.7178.7-54.6-78.7000111.5Y149 P225 L229 M497 G500Y149-F152 CarbonylContact O-C 3.58Å; Y149-F152 WeakPolarHBondContact O-CA 3.36Å; Y149-F152 PolarHBondContact O-N 3.41Å; F152-P225 HydrophobicContact CD1-CB 3.72Å; F152-P225 HydrophobicContact CD1-CG 3.77Å; F152-P225 HydrophobicContact CE1-CB 3.52Å; F152-P225 HydrophobicContact CE1-CG 3.57Å; F152-P225 HydrophobicContact CZ-CB 4.2Å; F152-L229 HydrophobicContact CE1-CD1 4.43Å; F152-L229 HydrophobicContact CZ-CD1 4.21Å; F152-L229 HydrophobicContact CZ-CD2 4.21Å; F152-M497 HydrophobicContact CD1-CG 4.01Å; F152-M497 HydrophobicContact CD2-CG 4.09Å; F152-M497 HydrophobicContact CE1-CE 4.47Å; F152-M497 HydrophobicContact CE1-CG 3.49Å; F152-M497 VanDerWaalsContact CE1-CG 3.49Å; F152-M497 HydrophobicContact CE1-SD 4.36Å; F152-M497 HydrophobicContact CE2-CG 3.57Å; F152-M497 HydrophobicContact CG-CG 4.29Å; F152-M497 HydrophobicContact CZ-CG 3.24Å; F152-M497 HydrophobicContact CZ-SD 4.08Å; F152-G500 CarbonylContact O-C 3.37Å; F152-G500 WeakPolarHBondContact O-CA 3.07Å
153D90.2Very high91.6Very high5 Ų525.5 Ų25.53%0.02711%0.113CC..  trans-80.7153.7-177.656.7-56.5000112.7P151 Q155 R223P151-D153 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact OD2-NE2 3.05Å; D153-R223 PolarHBondContact O-N 3.19Å; D153-R223 WeakPolarHBondContact OD1-CD 3.26Å; D153-R223 IonicContact OD1-CZ 3.25Å; D153-R223 IonicContact OD1-NE 2.73Å; D153-R223 PolarHBondContact OD1-NE 2.92Å; D153-R223 IonicContact OD2-CZ 2.67Å; D153-R223 IonicContact OD2-NE 3.85Å; D153-R223 PolarHBondContact OD2-NE 3.03Å; D153-R223 IonicContact OD2-NH2 2.82Å; D153-R223 PolarHBondContact OD2-NH2 3.44Å; D153-R223 VanDerWaalsContact OD2-NH2 3.1Å
154W91.1Very high91.5Very high49 Ų4932 Ų3219%0.18614%0.137CC..EExtended strand (participates in β ladder)trans-122.8149.4166.959.8-92.6000108.8F156 L221 F502 I503 H504W154-F156 HydrophobicContact CE3-CB 4.49Å; W154-F156 HydrophobicContact CZ3-CB 3.91Å; W154-L221 CarbonylContact C-O 3.47Å; W154-L221 WeakPolarHBondContact CA-O 3.43Å; W154-L221 WeakPolarHBondContact CB-O 3.26Å; W154-F502 PolarHBondContact NE1-O 3.18Å; W154-I503 HydrophobicContact CD2-CG2 4.32Å; W154-I503 HydrophobicContact CE3-CG2 4.48Å; W154-H504 WeakPolarHBondContact CH2-O 3.23Å; W154-H504 HydrophobicContact CZ2-CB 4Å; W154-H504 VanDerWaalsContact CZ2-O 3.24Å; W154-H504 WeakPolarHBondContact CZ2-O 3.48Å
155Q92.8Very high91.6Very high1 Ų132.9 Ų32.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-122.5136.7-175.6-55.8-56.1-23.500110.1M145 N146 D153 W191 I220 L221M145-Q155 VanDerWaalsContact CA-OE1 3.22Å; M145-Q155 HydrophobicContact SD-CB 3.84Å; M145-Q155 HydrophobicContact SD-CG 3.62Å; N146-Q155 PolarHBondContact O-NE2 2.97Å; D153-Q155 PolarHBondContact OD2-NE2 3.05Å; Q155-W191 HydrophobicContact CB-CZ3 4.4Å; Q155-W191 HydrophobicContact CG-CH2 3.42Å; Q155-W191 VanDerWaalsContact CG-CH2 3.42Å; Q155-W191 HydrophobicContact CG-CZ2 4.44Å; Q155-W191 HydrophobicContact CG-CZ3 3.59Å; Q155-I220 WeakPolarHBondContact O-CA 3.33Å; Q155-L221 HydrophobicContact CB-CB 4.48Å; Q155-L221 PolarHBondContact N-O 3.47Å; Q155-L221 PolarHBondContact O-N 2.94Å
156F93.7Very high91.8Very high43 Ų4335.4 Ų35.419%0.18916%0.158CC..EExtended strand (participates in β ladder)trans-113.3110.3174.7176.3-87.3000109.1C143 W154 R158 D218 I220 P506 Y509C143-F156 PolarHBondContact SG-O 2.78Å; W154-F156 HydrophobicContact CE3-CB 4.49Å; W154-F156 HydrophobicContact CZ3-CB 3.91Å; F156-R158 HydrophobicContact CE1-CB 4.09Å; F156-D218 HydrophobicContact CE2-CB 3.87Å; F156-D218 HydrophobicContact CZ-CB 3.96Å; F156-I220 HydrophobicContact CD2-CD1 4.1Å; F156-I220 HydrophobicContact CD2-CG1 3.9Å; F156-I220 HydrophobicContact CE2-CD1 4.42Å; F156-I220 HydrophobicContact CE2-CG1 4.4Å; F156-P506 HydrophobicContact CD2-CG 4.1Å; F156-P506 HydrophobicContact CE1-CG 4.4Å; F156-P506 HydrophobicContact CE2-CG 3.94Å; F156-P506 HydrophobicContact CG-CG 4.43Å; F156-P506 HydrophobicContact CZ-CG 4.11Å; F156-Y509 AromaticContact CE2-CD2 3.71Å; F156-Y509 HydrophobicContact CE2-CD2 3.71Å; F156-Y509 AromaticContact CE2-CE2 3.85Å; F156-Y509 HydrophobicContact CE2-CE2 3.85Å; F156-Y509 HydrophobicContact CZ-CD2 4.42Å
157C95.4Very high92.1Very high0 Ų033.5 Ų33.50%015%0.147CC..EExtended strand (participates in β ladder)trans-119.3113.8-175.5-66.30000110.3F141 C143 L219F141-C157 HydrophobicContact CE2-CB 3.94Å; F141-C157 HydrophobicContact CZ-CB 4.18Å; C143-C157 HydrophobicContact CB-CB 3.71Å; C143-C157 WeakPolarHBondContact CB-SG 3.41Å; C143-C157 WeakPolarHBondContact SG-CA 3.48Å; C143-C157 WeakPolarHBondContact SG-CB 3.41Å; C143-C157 CovalentContact SG-SG 2.03Å; C143-C157 PolarHBondContact SG-SG 3.44Å; C157-L219 HydrophobicContact CB-CB 4.25Å; C157-L219 HydrophobicContact CB-CD2 4.39Å; C157-L219 PolarHBondContact N-O 3.02Å; C157-L219 WeakPolarHBondContact O-CB 3.32Å; C157-L219 PolarHBondContact O-N 3.44Å
158R95.6Very high92.4Very high57 Ų5734 Ų3422%0.21515%0.152CC..EExtended strand (participates in β ladder)trans-99.1124178.6175.2171.3-71.4157.63.5110.8N90 F156 Y216 D218N90-R158 PolarHBondContact ND2-O 2.88Å; F156-R158 HydrophobicContact CE1-CB 4.09Å; R158-Y216 HydrophobicContact CG-CG 4.27Å; R158-D218 VanDerWaalsContact CG-OD1 3.28Å; R158-D218 WeakPolarHBondContact CG-OD1 3.47Å; R158-D218 IonicContact CZ-OD1 2.93Å; R158-D218 IonicContact CZ-OD2 3.1Å; R158-D218 IonicContact NE-OD1 3.6Å; R158-D218 PolarHBondContact NE-OD1 3.03Å; R158-D218 IonicContact NE-OD2 2.85Å; R158-D218 IonicContact NH2-OD1 3.84Å; R158-D218 PolarHBondContact NH2-OD1 3.42Å; R158-D218 IonicContact NH2-OD2 2.91Å; R158-D218 PolarHBondContact NH2-OD2 3.37Å
159M96Very high92.7Very high0 Ų035.1 Ų35.10%016%0.16CC..EExtended strand (participates in β ladder)trans-95.9135.8166.9-57.6172.872.700109.8L48 M50 L88 Y139 F141 F161 F196 Y216 C217L48-M159 HydrophobicContact CD1-CE 4.5Å; L48-M159 HydrophobicContact CD1-SD 3.59Å; L48-M159 VanDerWaalsContact CD1-SD 3.59Å; M50-M159 HydrophobicContact SD-CE 4.19Å; M50-M159 HydrophobicContact SD-SD 4.15Å; L88-M159 HydrophobicContact CD1-CB 3.96Å; L88-M159 HydrophobicContact CD1-CE 4.26Å; L88-M159 HydrophobicContact CD2-CE 4.06Å; Y139-M159 VanDerWaalsContact CB-CE 3.41Å; Y139-M159 HydrophobicContact CD2-CE 3.73Å; Y139-M159 HydrophobicContact CG-CE 3.67Å; F141-M159 HydrophobicContact CD1-CE 3.97Å; F141-M159 HydrophobicContact CD1-CG 3.77Å; F141-M159 HydrophobicContact CD1-SD 4.13Å; F141-M159 HydrophobicContact CD2-CG 3.88Å; F141-M159 HydrophobicContact CE1-CE 4.02Å; F141-M159 HydrophobicContact CE1-CG 3.46Å; F141-M159 VanDerWaalsContact CE1-CG 3.46Å; F141-M159 HydrophobicContact CE1-SD 3.62Å; F141-M159 HydrophobicContact CE2-CG 3.58Å; F141-M159 HydrophobicContact CG-CG 3.98Å; F141-M159 HydrophobicContact CZ-CG 3.36Å; F141-M159 HydrophobicContact CZ-SD 3.96Å; M159-F161 HydrophobicContact CB-CD2 4.39Å; M159-F161 HydrophobicContact CB-CE2 3.96Å; M159-F161 HydrophobicContact CE-CE2 3.65Å; M159-F161 HydrophobicContact CE-CZ 3.6Å; M159-F161 HydrophobicContact SD-CE2 4.38Å; M159-F196 HydrophobicContact SD-CZ 4.24Å; M159-Y216 CarbonylContact O-C 3.6Å; M159-Y216 WeakPolarHBondContact O-CA 3.21Å; M159-C217 HydrophobicContact CB-CB 4.14Å; M159-C217 PolarHBondContact N-O 2.88Å; M159-C217 PolarHBondContact O-N 3.19Å
160T95.6Very high92.9Very high24 Ų2435.8 Ų35.815%0.14717%0.165CC..EExtended strand (participates in β ladder)trans-117.8102.4-175.9-55.30000110.8Y89 N90 L214 Y216Y89-T160 HydrophobicContact CD2-CG2 4.46Å; Y89-T160 HydrophobicContact CG-CG2 4.34Å; Y89-T160 PolarHBondContact N-O 3.21Å; N90-T160 PolarHBondContact OD1-N 2.87Å; T160-L214 HydrophobicContact CG2-CB 4.44Å; T160-L214 HydrophobicContact CG2-CD1 4.07Å; T160-L214 HydrophobicContact CG2-CD2 4.47Å; T160-Y216 HydrophobicContact CG2-CD1 3.83Å; T160-Y216 HydrophobicContact CG2-CE1 3.56Å
161F95.9Very high93.3Very high5 Ų534.2 Ų34.22%0.02216%0.159CC..EExtended strand (participates in β ladder)trans-96.2144.7174.9-68.2-87.3000111.2M31 T86 Y87 L88 Y139 M159 L214 L215M31-F161 HydrophobicContact CE-CD1 4.38Å; M31-F161 HydrophobicContact CE-CD2 3.4Å; M31-F161 VanDerWaalsContact CE-CD2 3.4Å; M31-F161 HydrophobicContact CE-CE1 4.41Å; M31-F161 HydrophobicContact CE-CE2 3.42Å; M31-F161 VanDerWaalsContact CE-CE2 3.42Å; M31-F161 HydrophobicContact CE-CG 3.88Å; M31-F161 HydrophobicContact CE-CZ 3.95Å; M31-F161 HydrophobicContact SD-CD2 4.37Å; M31-F161 HydrophobicContact SD-CE2 3.93Å; T86-F161 HydrophobicContact CG2-CD1 4.33Å; Y87-F161 WeakPolarHBondContact O-CA 3.23Å; L88-F161 HydrophobicContact CB-CD1 4.21Å; L88-F161 HydrophobicContact CB-CE1 3.97Å; L88-F161 HydrophobicContact CD1-CD1 4.31Å; L88-F161 HydrophobicContact CD1-CD2 4.23Å; L88-F161 HydrophobicContact CD1-CE1 4.09Å; L88-F161 HydrophobicContact CD1-CE2 4.03Å; L88-F161 HydrophobicContact CD1-CG 4.4Å; L88-F161 HydrophobicContact CD1-CZ 3.96Å; L88-F161 HydrophobicContact CD2-CZ 4.5Å; L88-F161 HydrophobicContact CG-CE1 4.44Å; Y139-F161 HydrophobicContact CD1-CE1 4.23Å; Y139-F161 HydrophobicContact CD1-CZ 4.18Å; Y139-F161 AromaticContact CD2-CZ 3.89Å; Y139-F161 HydrophobicContact CD2-CZ 3.89Å; Y139-F161 AromaticContact CE1-CE1 3.71Å; Y139-F161 HydrophobicContact CE1-CE1 3.71Å; Y139-F161 AromaticContact CE1-CZ 3.98Å; Y139-F161 HydrophobicContact CE1-CZ 3.98Å; Y139-F161 HydrophobicContact CE2-CE1 4.05Å; Y139-F161 AromaticContact CE2-CZ 3.64Å; Y139-F161 HydrophobicContact CE2-CZ 3.64Å; Y139-F161 HydrophobicContact CG-CZ 4.15Å; Y139-F161 AromaticContact CZ-CE1 3.6Å; Y139-F161 AromaticContact CZ-CZ 3.71Å; M159-F161 HydrophobicContact CB-CD2 4.39Å; M159-F161 HydrophobicContact CB-CE2 3.96Å; M159-F161 HydrophobicContact CE-CE2 3.65Å; M159-F161 HydrophobicContact CE-CZ 3.6Å; M159-F161 HydrophobicContact SD-CE2 4.38Å; F161-L214 CarbonylContact O-C 3.55Å; F161-L214 VanDerWaalsContact O-CA 3.29Å; F161-L214 WeakPolarHBondContact O-CA 3.47Å; F161-L215 HydrophobicContact CB-CB 4.23Å; F161-L215 PolarHBondContact N-O 3.07Å; F161-L215 PolarHBondContact O-N 3.25Å
162G95.1Very high93.6Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-174-179.9174.600000111.6Y87Y87-G162 PolarHBondContact N-O 3.16Å; Y87-G162 PolarHBondContact O-N 3.07Å
163S95.1Very high93.9Very high3 Ų333.7 Ų33.72%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-82.2135.9170.8171.40000109D85 Y89 M165 F166D85-S163 VanDerWaalsContact OD1-CB 3.27Å; D85-S163 WeakPolarHBondContact OD1-CB 3.37Å; D85-S163 PolarHBondContact OD1-OG 3.45Å; D85-S163 PolarHBondContact OD2-OG 3.01Å; Y89-S163 PolarHBondContact OH-O 3.22Å; S163-M165 PolarHBondContact OG-N 3.42Å; S163-F166 WeakPolarHBondContact CB-O 3.39Å; S163-F166 WeakPolarHBondContact OG-CA 3.4Å; S163-F166 VanDerWaalsContact OG-CB 3.31Å; S163-F166 WeakPolarHBondContact OG-CB 3.48Å; S163-F166 PolarHBondContact OG-N 3.34Å; S163-F166 PolarHBondContact OG-O 3.48Å
164W91.7Very high94.1Very high142 Ų14234.4 Ų34.454%0.53816%0.16SC..SBendtrans-75.1-39.5176.3-167.4-103.6000112.2D85 Y87 Y89D85-W164 PolarHBondContact OD2-N 3.46Å; D85-W164 VanDerWaalsContact OD2-N 3.16Å; Y87-W164 HydrophobicContact CD1-CD2 4.46Å; Y87-W164 AromaticContact CD1-CE3 3.59Å; Y87-W164 HydrophobicContact CD1-CE3 3.59Å; Y87-W164 AromaticContact CD1-CZ3 3.9Å; Y87-W164 HydrophobicContact CD1-CZ3 3.9Å; Y87-W164 HydrophobicContact CE1-CE3 4.02Å; Y87-W164 AromaticContact CE1-CZ3 3.93Å; Y87-W164 HydrophobicContact CE1-CZ3 3.93Å; Y87-W164 HydrophobicContact CG-CE3 4.23Å; Y89-W164 HydrophobicContact CD1-CZ3 4.11Å; Y89-W164 HydrophobicContact CE1-CE3 4.3Å; Y89-W164 HydrophobicContact CE1-CZ3 4.15Å; Y89-W164 HydrophobicContact CE2-CE3 4.47Å; Y89-W164 HydrophobicContact CG-CZ3 4.47Å
165M92.1Very high94.2Very high137 Ų13732.8 Ų32.868%0.67516%0.156SC*.SBendtrans-105.8-22.5-169.7-64.1-63.2-64.100114.3D85 S163D85-M165 WeakPolarHBondContact OD2-CB 3.38Å; D85-M165 PolarHBondContact OD2-N 2.92Å; S163-M165 PolarHBondContact OG-N 3.42Å
166F93.3Very high94.1Very high53 Ų5336.8 Ų36.823%0.23217%0.171CC..  trans-112137.1-170.9-58.4-82.9000111.6R16 D85 S163 Q170 I171 F212R16-F166 HydrophobicContact CG-CE1 4.29Å; R16-F166 HydrophobicContact CG-CZ 4.45Å; D85-F166 WeakPolarHBondContact OD1-CD2 3.48Å; S163-F166 WeakPolarHBondContact CB-O 3.39Å; S163-F166 WeakPolarHBondContact OG-CA 3.4Å; S163-F166 VanDerWaalsContact OG-CB 3.31Å; S163-F166 WeakPolarHBondContact OG-CB 3.48Å; S163-F166 PolarHBondContact OG-N 3.34Å; S163-F166 PolarHBondContact OG-O 3.48Å; F166-Q170 HydrophobicContact CB-CB 3.94Å; F166-Q170 HydrophobicContact CD1-CB 3.95Å; F166-Q170 HydrophobicContact CD1-CG 4.45Å; F166-Q170 VanDerWaalsContact CD1-OE1 3.3Å; F166-Q170 HydrophobicContact CG-CB 4.37Å; F166-I171 HydrophobicContact CB-CB 4.08Å; F166-I171 HydrophobicContact CB-CD1 3.83Å; F166-I171 HydrophobicContact CB-CG1 3.79Å; F166-I171 HydrophobicContact CD2-CD1 3.37Å; F166-I171 HydrophobicContact CD2-CG1 4.21Å; F166-I171 HydrophobicContact CE2-CD1 4.04Å; F166-I171 HydrophobicContact CG-CD1 3.67Å; F166-I171 HydrophobicContact CG-CG1 3.99Å; F166-F212 WeakPolarHBondContact O-CD1 3.42Å
167D94Very high93.8Very high24 Ų2436.4 Ų36.413%0.12818%0.176CC..  trans-78.7176173.366.125000111.9T169 Q170 I171 N210 F212D167-T169 PolarHBondContact O-N 3.49Å; D167-T169 VanDerWaalsContact O-N 3.14Å; D167-T169 WeakPolarHBondContact OD1-CA 3.1Å; D167-T169 WeakPolarHBondContact OD1-CB 3.3Å; D167-T169 PolarHBondContact OD1-N 2.86Å; D167-T169 PolarHBondContact OD1-OG1 3.35Å; D167-T169 PolarHBondContact OD2-OG1 3.44Å; D167-Q170 PolarHBondContact O-N 3.43Å; D167-Q170 VanDerWaalsContact O-N 3.09Å; D167-Q170 PolarHBondContact OD1-N 3.22Å; D167-I171 PolarHBondContact O-N 3.29Å; D167-I171 VanDerWaalsContact O-O 3.05Å; D167-N210 HydrophobicContact CB-CB 3.84Å; D167-N210 VanDerWaalsContact OD2-CB 3.28Å; D167-N210 WeakPolarHBondContact OD2-CB 3.38Å; D167-N210 PolarHBondContact OD2-ND2 2.95Å; D167-F212 HydrophobicContact CB-CE2 4.4Å
168S93.9Very high93.5Very high17 Ų1743.8 Ų43.812%0.11921%0.211CC..THydrogen-bonded Turntrans-63.9-18179.774.60000113.8T24 Q170 I171 P211T24-S168 WeakPolarHBondContact CG2-O 3.39Å; S168-Q170 VanDerWaalsContact C-N 3.34Å; S168-I171 WeakPolarHBondContact CA-O 3.22Å; S168-P211 VanDerWaalsContact CB-O 3.29Å; S168-P211 WeakPolarHBondContact CB-O 3.19Å; S168-P211 PolarHBondContact N-O 3.11Å; S168-P211 PolarHBondContact OG-O 3.43Å
169T92.7Very high93.2Very high64 Ų6445.6 Ų45.639%0.39323%0.225SC..THydrogen-bonded Turntrans-77.5-27.7177.778.10000111.1T24 D167 N210T24-T169 WeakPolarHBondContact CA-O 3.14Å; T24-T169 WeakPolarHBondContact CB-O 3.34Å; T24-T169 WeakPolarHBondContact CG2-O 3.4Å; T24-T169 PolarHBondContact OG1-O 3.49Å; D167-T169 PolarHBondContact O-N 3.49Å; D167-T169 VanDerWaalsContact O-N 3.14Å; D167-T169 WeakPolarHBondContact OD1-CA 3.1Å; D167-T169 WeakPolarHBondContact OD1-CB 3.3Å; D167-T169 PolarHBondContact OD1-N 2.86Å; D167-T169 PolarHBondContact OD1-OG1 3.35Å; D167-T169 PolarHBondContact OD2-OG1 3.44Å; T169-N210 HydrophobicContact CG2-CB 4.19Å
170Q93.1Very high92.8Very high64 Ų6446 Ų4630%0.29923%0.227SC..THydrogen-bonded Turntrans-95.8-48.2-178.5-67.8173.9-38.900112.2R16 T25 F166 D167 S168R16-Q170 PolarHBondContact NH1-O 3.22Å; T25-Q170 PolarHBondContact N-O 3.35Å; F166-Q170 HydrophobicContact CB-CB 3.94Å; F166-Q170 HydrophobicContact CD1-CB 3.95Å; F166-Q170 HydrophobicContact CD1-CG 4.45Å; F166-Q170 VanDerWaalsContact CD1-OE1 3.3Å; F166-Q170 HydrophobicContact CG-CB 4.37Å; D167-Q170 PolarHBondContact O-N 3.43Å; D167-Q170 VanDerWaalsContact O-N 3.09Å; D167-Q170 PolarHBondContact OD1-N 3.22Å; S168-Q170 VanDerWaalsContact C-N 3.34Å
171I94.4Very high92.6Very high1 Ų147.1 Ų47.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-132.3125.7177.4-60.3-176.8000109T25 V27 W82 F166 D167 S168 Y173T25-I171 WeakPolarHBondContact O-CA 3.22Å; V27-I171 HydrophobicContact CG2-CG2 3.94Å; W82-I171 HydrophobicContact CH2-CD1 3.92Å; W82-I171 HydrophobicContact CZ2-CD1 3.93Å; F166-I171 HydrophobicContact CB-CB 4.08Å; F166-I171 HydrophobicContact CB-CD1 3.83Å; F166-I171 HydrophobicContact CB-CG1 3.79Å; F166-I171 HydrophobicContact CD2-CD1 3.37Å; F166-I171 HydrophobicContact CD2-CG1 4.21Å; F166-I171 HydrophobicContact CE2-CD1 4.04Å; F166-I171 HydrophobicContact CG-CD1 3.67Å; F166-I171 HydrophobicContact CG-CG1 3.99Å; D167-I171 PolarHBondContact O-N 3.29Å; D167-I171 VanDerWaalsContact O-O 3.05Å; S168-I171 WeakPolarHBondContact CA-O 3.22Å; I171-Y173 HydrophobicContact CG2-CD2 4.22Å; I171-Y173 HydrophobicContact CG2-CE2 3.64Å
172D94.6Very high92.4Very high18 Ų1850.5 Ų50.510%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-121.7120178.6-164.22.1000111T24 T25 N26 V27 F174 R200 S213T24-D172 HydrophobicContact CG2-CB 3.7Å; T25-D172 PolarHBondContact O-N 3Å; N26-D172 WeakPolarHBondContact CA-O 3.32Å; V27-D172 PolarHBondContact N-O 3.34Å; D172-F174 HydrophobicContact CB-CE2 3.8Å; D172-F174 HydrophobicContact CB-CZ 4.35Å; D172-F174 VanDerWaalsContact CG-CZ 3.48Å; D172-F174 WeakPolarHBondContact OD2-CE2 3.33Å; D172-F174 WeakPolarHBondContact OD2-CZ 3.41Å; D172-R200 IonicContact OD1-CZ 3.45Å; D172-R200 VanDerWaalsContact OD1-CZ 3.28Å; D172-R200 IonicContact OD1-NE 2.86Å; D172-R200 PolarHBondContact OD1-NE 3.38Å; D172-R200 IonicContact OD1-NH2 2.7Å; D172-R200 PolarHBondContact OD1-NH2 3.43Å; D172-R200 IonicContact OD2-CZ 3.28Å; D172-R200 IonicContact OD2-NE 3.5Å; D172-R200 IonicContact OD2-NH2 2.83Å; D172-R200 PolarHBondContact OD2-NH2 2.92Å; D172-S213 VanDerWaalsContact OD1-CB 3.25Å; D172-S213 WeakPolarHBondContact OD1-CB 3.47Å; D172-S213 PolarHBondContact OD1-OG 3.09Å
173Y95.3Very high92.2Very high0 Ų056.3 Ų56.30%028%0.275CS..EExtended strand (participates in β ladder)trans-90.6135.9-179.3-69.9-82.3000111.4V27 V29 T86 I171 R200 S213V27-Y173 HydrophobicContact CB-CD1 3.84Å; V27-Y173 HydrophobicContact CB-CE1 3.93Å; V27-Y173 HydrophobicContact CG1-CD1 3.95Å; V27-Y173 HydrophobicContact CG1-CE1 3.84Å; V27-Y173 HydrophobicContact CG2-CE1 4.36Å; V27-Y173 CarbonylContact O-C 3.51Å; V27-Y173 WeakPolarHBondContact O-CA 3.34Å; V29-Y173 HydrophobicContact CG2-CD1 3.83Å; V29-Y173 HydrophobicContact CG2-CE1 4.43Å; T86-Y173 WeakPolarHBondContact CA-OH 3.45Å; T86-Y173 HydrophobicContact CG2-CE1 4.01Å; T86-Y173 PolarHBondContact N-OH 3.42Å; T86-Y173 VanDerWaalsContact OG1-CE1 3.31Å; T86-Y173 WeakPolarHBondContact OG1-CE1 3.47Å; T86-Y173 PolarHBondContact OG1-OH 3.29Å; T86-Y173 VanDerWaalsContact OG1-OH 3.1Å; I171-Y173 HydrophobicContact CG2-CD2 4.22Å; I171-Y173 HydrophobicContact CG2-CE2 3.64Å; Y173-R200 WeakPolarHBondContact O-CD 3.19Å; Y173-R200 WeakPolarHBondContact O-CG 3.01Å; Y173-R200 PolarHBondContact O-NE 3.49Å; Y173-S213 WeakPolarHBondContact CD2-O 3.47Å; Y173-S213 PolarHBondContact N-OG 3.16Å; Y173-S213 VanDerWaalsContact N-OG 3.11Å; Y173-S213 PolarHBondContact O-OG 3.04Å
174F94.1Very high92Very high20 Ų2060.4 Ų60.49%0.08830%0.297CS..EExtended strand (participates in β ladder)trans-130.5138.4175.5-65.7-84.5000110.7N26 V27 S28 V29 Y118 D172 R200N26-F174 HydrophobicContact CB-CD2 4.4Å; N26-F174 HydrophobicContact CB-CE2 4.27Å; V27-F174 PolarHBondContact O-N 2.9Å; S28-F174 CarbonylContact C-O 3.59Å; S28-F174 VanDerWaalsContact CA-O 3.31Å; S28-F174 WeakPolarHBondContact CA-O 3.3Å; V29-F174 PolarHBondContact N-O 3.05Å; Y118-F174 HydrophobicContact CD1-CB 4.45Å; Y118-F174 AromaticContact CD1-CD1 3.32Å; Y118-F174 HydrophobicContact CD1-CD1 3.32Å; Y118-F174 HydrophobicContact CD1-CD2 4.28Å; Y118-F174 AromaticContact CD1-CE1 3.45Å; Y118-F174 HydrophobicContact CD1-CE1 3.45Å; Y118-F174 VanDerWaalsContact CD1-CE1 3.45Å; Y118-F174 HydrophobicContact CD1-CE2 4.37Å; Y118-F174 AromaticContact CD1-CG 3.77Å; Y118-F174 HydrophobicContact CD1-CG 3.77Å; Y118-F174 AromaticContact CD1-CZ 3.99Å; Y118-F174 HydrophobicContact CD1-CZ 3.99Å; Y118-F174 HydrophobicContact CD2-CB 3.64Å; Y118-F174 AromaticContact CD2-CD1 3.99Å; Y118-F174 HydrophobicContact CD2-CD1 3.99Å; Y118-F174 AromaticContact CD2-CG 3.87Å; Y118-F174 HydrophobicContact CD2-CG 3.87Å; Y118-F174 AromaticContact CE1-CD1 3.47Å; Y118-F174 HydrophobicContact CE1-CD1 3.47Å; Y118-F174 VanDerWaalsContact CE1-CD1 3.47Å; Y118-F174 AromaticContact CE1-CE1 3.67Å; Y118-F174 HydrophobicContact CE1-CE1 3.67Å; Y118-F174 HydrophobicContact CE1-CG 4.28Å; Y118-F174 HydrophobicContact CE2-CB 4.1Å; Y118-F174 HydrophobicContact CE2-CD1 4.12Å; Y118-F174 HydrophobicContact CE2-CG 4.37Å; Y118-F174 HydrophobicContact CG-CB 3.84Å; Y118-F174 AromaticContact CG-CD1 3.6Å; Y118-F174 HydrophobicContact CG-CD1 3.6Å; Y118-F174 HydrophobicContact CG-CD2 4.02Å; Y118-F174 HydrophobicContact CG-CE1 4.12Å; Y118-F174 HydrophobicContact CG-CE2 4.47Å; Y118-F174 AromaticContact CG-CG 3.53Å; Y118-F174 HydrophobicContact CG-CG 3.53Å; Y118-F174 AromaticContact CZ-CD1 3.87Å; D172-F174 HydrophobicContact CB-CE2 3.8Å; D172-F174 HydrophobicContact CB-CZ 4.35Å; D172-F174 VanDerWaalsContact CG-CZ 3.48Å; D172-F174 WeakPolarHBondContact OD2-CE2 3.33Å; D172-F174 WeakPolarHBondContact OD2-CZ 3.41Å; F174-R200 VanDerWaalsContact CD1-CD 3.48Å
175P93.1Very high92.1Very high16 Ų1655.8 Ų55.810%0.10428%0.28CS..EExtended strand (participates in β ladder)trans-69.1138.7170.931.3-33.4000109.1A177 T198 L215P175-A177 VanDerWaalsContact C-N 3.32Å; P175-T198 WeakPolarHBondContact CB-OG1 3.27Å; P175-L215 HydrophobicContact CB-CD2 4.36Å; P175-L215 HydrophobicContact CG-CD2 4.38Å
176Y90.4Very high92.2Very high84 Ų8453.1 Ų53.133%0.32927%0.267SS..SBendtrans-65.8-38.9174.3-178.4-85.1000111.6V29 R30 I55 I116 F181V29-Y176 WeakPolarHBondContact O-CB 3.46Å; V29-Y176 PolarHBondContact O-N 3.43Å; R30-Y176 HydrophobicContact CB-CD1 4.4Å; R30-Y176 HydrophobicContact CB-CD2 4.42Å; R30-Y176 HydrophobicContact CB-CG 3.92Å; I55-Y176 HydrophobicContact CD1-CD2 4.38Å; I55-Y176 HydrophobicContact CD1-CE2 4.39Å; I116-Y176 HydrophobicContact CD1-CD2 3.8Å; I116-Y176 HydrophobicContact CD1-CE2 3.48Å; I116-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I116-Y176 HydrophobicContact CG1-CD2 4.05Å; I116-Y176 HydrophobicContact CG1-CE2 3.59Å; Y176-F181 AromaticContact CD1-CE2 3.86Å; Y176-F181 HydrophobicContact CD1-CE2 3.86Å; Y176-F181 AromaticContact CD1-CZ 3.84Å; Y176-F181 HydrophobicContact CD1-CZ 3.84Å; Y176-F181 HydrophobicContact CE1-CE2 4.38Å; Y176-F181 AromaticContact CE1-CZ 3.97Å; Y176-F181 HydrophobicContact CE1-CZ 3.97Å
177A89.2Confident92.2Very high35 Ų3556.3 Ų56.329%0.28928%0.283SS..SBendtrans-143.7155.5174.500000108.7P175 F181 T198P175-A177 VanDerWaalsContact C-N 3.32Å; A177-F181 HydrophobicContact CB-CE2 3.96Å; A177-F181 HydrophobicContact CB-CZ 3.85Å; A177-T198 PolarHBondContact O-OG1 3.38Å
178Q88.5Confident92.1Very high155 Ų15556.6 Ų56.672%0.72428%0.283SS*.SBendtrans-66.4-43.2178.1-73.4179.2-24.500111.5K197 T198Q178-K197 CarbonylContact O-C 3.58Å; Q178-K197 WeakPolarHBondContact O-CA 3.34Å; Q178-T198 PolarHBondContact O-N 3.12Å; Q178-T198 PolarHBondContact O-OG1 2.93Å
179D88.3Confident92Very high95 Ų9560.8 Ų60.851%0.50831%0.313SS..BIsolated β-bridgetrans-84.6140.4176.2-58.8-50.1000110.9K197D179-K197 WeakPolarHBondContact OD1-CE 3.37Å; D179-K197 WeakPolarHBondContact OD1-CG 3.34Å
180V88.7Confident91.9Very high9 Ų960.8 Ų60.86%0.05531%0.308CS..PPolyproline II helixtrans-69.9137.7168.2177.60000108.2M31 L33 M50 F196 T198M31-V180 HydrophobicContact CB-CG1 4.26Å; M31-V180 WeakPolarHBondContact O-CG1 3.38Å; L33-V180 HydrophobicContact CB-CG1 4.28Å; M50-V180 HydrophobicContact CE-CG1 4.43Å; V180-F196 HydrophobicContact CB-CB 4.05Å; V180-F196 HydrophobicContact CB-CD1 3.72Å; V180-F196 HydrophobicContact CB-CD2 4.29Å; V180-F196 HydrophobicContact CB-CE1 4.27Å; V180-F196 HydrophobicContact CB-CG 3.74Å; V180-F196 HydrophobicContact CG1-CD1 3.62Å; V180-F196 HydrophobicContact CG1-CE1 3.84Å; V180-F196 HydrophobicContact CG1-CG 4.18Å; V180-F196 HydrophobicContact CG2-CB 4.23Å; V180-F196 HydrophobicContact CG2-CD1 3.82Å; V180-F196 HydrophobicContact CG2-CD2 3.6Å; V180-F196 HydrophobicContact CG2-CE1 4.07Å; V180-F196 HydrophobicContact CG2-CE2 3.88Å; V180-F196 HydrophobicContact CG2-CG 3.58Å; V180-F196 HydrophobicContact CG2-CZ 4.1Å; V180-F196 PolarHBondContact N-O 3.44Å; V180-T198 HydrophobicContact CG2-CG2 3.49Å; V180-T198 VanDerWaalsContact CG2-CG2 3.49Å
181F91Very high91.9Very high47 Ų4757.8 Ų57.821%0.20629%0.294CS..BIsolated β-bridgetrans-74.3133.7-179.8-63-90.1000110.8R30 M31 N32 L33 Y176 A177 E183R30-F181 HydrophobicContact CG-CD2 3.77Å; R30-F181 HydrophobicContact CG-CE2 3.68Å; R30-F181 VanDerWaalsContact NE-CD2 3.33Å; M31-F181 PolarHBondContact O-N 2.96Å; N32-F181 VanDerWaalsContact CA-O 3.28Å; N32-F181 WeakPolarHBondContact CA-O 3.43Å; N32-F181 HydrophobicContact CB-CB 4.22Å; N32-F181 VanDerWaalsContact OD1-CB 3.29Å; N32-F181 WeakPolarHBondContact OD1-CB 3.49Å; N32-F181 WeakPolarHBondContact OD1-CD2 3.41Å; L33-F181 PolarHBondContact N-O 3.22Å; Y176-F181 AromaticContact CD1-CE2 3.86Å; Y176-F181 HydrophobicContact CD1-CE2 3.86Å; Y176-F181 AromaticContact CD1-CZ 3.84Å; Y176-F181 HydrophobicContact CD1-CZ 3.84Å; Y176-F181 HydrophobicContact CE1-CE2 4.38Å; Y176-F181 AromaticContact CE1-CZ 3.97Å; Y176-F181 HydrophobicContact CE1-CZ 3.97Å; A177-F181 HydrophobicContact CB-CE2 3.96Å; A177-F181 HydrophobicContact CB-CZ 3.85Å; F181-E183 WeakPolarHBondContact CB-OE2 3.38Å; F181-E183 WeakPolarHBondContact CD1-OE1 3.31Å
182L92.2Very high91.8Very high76 Ų7660.4 Ų60.440%0.39831%0.31SS..  trans-119.620.4-175.4-57176.9000112.5L33 D184 Y185 L193L33-L182 HydrophobicContact CB-CD2 3.84Å; L33-L182 HydrophobicContact CD2-CD2 4.13Å; L182-D184 VanDerWaalsContact C-N 3.3Å; L182-D184 PolarHBondContact O-N 3.28Å; L182-Y185 WeakPolarHBondContact O-CB 3.39Å; L182-Y185 PolarHBondContact O-N 3.3Å; L182-L193 HydrophobicContact CD1-CD2 3.68Å; L182-L193 HydrophobicContact CD2-CD2 3.57Å; L182-L193 HydrophobicContact CG-CD2 4.28Å
183E90.2Very high91.8Very high122 Ų12260.8 Ų60.857%0.5731%0.312SS*.THydrogen-bonded Turntrans-60.7-38.1-172.1-62.8128.1164.900112.9R30 F181R30-E183 IonicContact NH2-OE1 3.19Å; R30-E183 IonicContact NH2-OE2 3.32Å; R30-E183 PolarHBondContact NH2-OE2 3.04Å; F181-E183 WeakPolarHBondContact CB-OE2 3.38Å; F181-E183 WeakPolarHBondContact CD1-OE1 3.31Å
184D90.4Very high91.7Very high90 Ų9063.8 Ų63.848%0.48133%0.331SS..THydrogen-bonded Turntrans-107.118.6-179.8-59.7-51.3000112.4Y34 L182 I186Y34-D184 HydrophobicContact CD2-CB 4.1Å; Y34-D184 HydrophobicContact CE2-CB 4.42Å; L182-D184 VanDerWaalsContact C-N 3.3Å; L182-D184 PolarHBondContact O-N 3.28Å; D184-I186 PolarHBondContact O-N 3.38Å
185Y94.1Very high91.6Very high45 Ų4563.9 Ų63.918%0.17633%0.334CS..PPolyproline II helixtrans-71.7122.7-175.4173.4-118.1000111.9L33 Y34 I36 L182 E187 H188 L193L33-Y185 HydrophobicContact CD2-CD2 3.72Å; L33-Y185 HydrophobicContact CD2-CE2 3.7Å; L33-Y185 HydrophobicContact CG-CD2 3.82Å; L33-Y185 HydrophobicContact CG-CE2 4.17Å; Y34-Y185 WeakPolarHBondContact O-CA 3.26Å; I36-Y185 HydrophobicContact CD1-CE2 4.41Å; I36-Y185 HydrophobicContact CG1-CE2 4.25Å; L182-Y185 WeakPolarHBondContact O-CB 3.39Å; L182-Y185 PolarHBondContact O-N 3.3Å; Y185-E187 HydrophobicContact CE1-CB 4.4Å; Y185-H188 PolarHBondContact OH-N 2.89Å; Y185-L193 HydrophobicContact CD1-CD2 4.31Å; Y185-L193 HydrophobicContact CE1-CB 4.03Å; Y185-L193 HydrophobicContact CE1-CD2 4.06Å
186I94.6Very high91.7Very high81 Ų8163.5 Ų63.542%0.41533%0.33SS..BIsolated β-bridgetrans-89118.5170-57.4175.4000108.6Y34 M35 D184Y34-I186 HydrophobicContact CE1-CD1 3.99Å; Y34-I186 PolarHBondContact O-N 3.23Å; M35-I186 HydrophobicContact CG-CB 4.43Å; D184-I186 PolarHBondContact O-N 3.38Å
187E92.6Very high91.9Very high119 Ų11963.9 Ų63.956%0.55633%0.334SS*.PPolyproline II helixtrans-61.1134.8-178.9-165.5-175.1167.500112.1Y185 K224Y185-E187 HydrophobicContact CE1-CB 4.4Å; E187-K224 WeakPolarHBondContact OE1-CE 3.48Å; E187-K224 IonicContact OE1-NZ 3.22Å; E187-K224 PolarHBondContact OE1-NZ 3Å
188H93.1Very high92.1Very high30 Ų3062.9 Ų62.914%0.13932%0.324CS..PPolyproline II helixtrans-75.2144.3177.8-162.8-91.2000111.5I36 Y185 E190 W191 K224I36-H188 HydrophobicContact CB-CB 4.45Å; I36-H188 HydrophobicContact CD1-CB 4.4Å; I36-H188 PolarHBondContact O-CD2 2.97Å; Y185-H188 PolarHBondContact OH-N 2.89Å; H188-E190 VanDerWaalsContact C-N 3.34Å; H188-E190 PolarHBondContact ND1-N 3.07Å; H188-E190 PolarHBondContact O-N 3.43Å; H188-W191 HydrophobicContact CB-CB 4.22Å; H188-W191 WeakPolarHBondContact CB-O 3.46Å; H188-W191 AromaticContact CE1-CD1 3.67Å; H188-W191 AromaticContact ND1-CD1 3.47Å; H188-W191 PolarHBondContact ND1-N 2.95Å; H188-K224 PolarHBondContact O-NZ 3.48Å
189S90.7Very high92.3Very high105 Ų10558.3 Ų58.373%0.73430%0.302SS*.SBendtrans-66.5-35.9-177.654.20000112.8K224S189-K224 WeakPolarHBondContact O-CD 3.38Å
190E90.5Very high92.6Very high64 Ų6457.8 Ų57.830%0.29929%0.293SS..SBendtrans-102.9-23.3-175.9-177.4170.9-165.600114.2H188 R223 K224H188-E190 VanDerWaalsContact C-N 3.34Å; H188-E190 PolarHBondContact ND1-N 3.07Å; H188-E190 PolarHBondContact O-N 3.43Å; E190-R223 HydrophobicContact CG-CG 4.28Å; E190-R223 IonicContact OE1-CZ 3.68Å; E190-R223 IonicContact OE1-NH1 2.86Å; E190-R223 PolarHBondContact OE1-NH1 2.87Å; E190-K224 WeakPolarHBondContact O-CB 3.46Å; E190-K224 PolarHBondContact O-N 3.27Å
191W93.5Very high92.9Very high1 Ų159.2 Ų59.20%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-123.5131.3-169.4-66.897.9000110.3I39 Q155 H188 L221 R223I39-W191 HydrophobicContact CD1-CB 4.3Å; I39-W191 HydrophobicContact CD1-CD2 3.99Å; I39-W191 HydrophobicContact CD1-CG 3.63Å; I39-W191 HydrophobicContact CG2-CZ2 4.02Å; Q155-W191 HydrophobicContact CB-CZ3 4.4Å; Q155-W191 HydrophobicContact CG-CH2 3.42Å; Q155-W191 VanDerWaalsContact CG-CH2 3.42Å; Q155-W191 HydrophobicContact CG-CZ2 4.44Å; Q155-W191 HydrophobicContact CG-CZ3 3.59Å; H188-W191 HydrophobicContact CB-CB 4.22Å; H188-W191 WeakPolarHBondContact CB-O 3.46Å; H188-W191 AromaticContact CE1-CD1 3.67Å; H188-W191 AromaticContact ND1-CD1 3.47Å; H188-W191 PolarHBondContact ND1-N 2.95Å; W191-L221 HydrophobicContact CD2-CB 4.5Å; W191-L221 HydrophobicContact CE3-CB 3.81Å; W191-L221 HydrophobicContact CZ3-CB 4.35Å; W191-R223 HydrophobicContact CE3-CB 3.98Å; W191-R223 HydrophobicContact CH2-CB 4.1Å; W191-R223 HydrophobicContact CH2-CG 4.46Å; W191-R223 VanDerWaalsContact CH2-CZ 3.44Å; W191-R223 HydrophobicContact CZ3-CB 3.67Å; W191-R223 HydrophobicContact CZ3-CG 4.39Å
192T93.2Very high93.2Very high56 Ų5660.9 Ų60.934%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-93.6125.2170.1-57.40000108.6V194 L221 A222 K224T192-V194 PolarHBondContact O-N 2.8Å; T192-L221 WeakPolarHBondContact O-CA 3.23Å; T192-A222 PolarHBondContact N-O 3.33Å; T192-A222 PolarHBondContact O-N 3.05Å; T192-K224 WeakPolarHBondContact OG1-CE 3.39Å
193L94Very high93.2Very high27 Ų2761.8 Ų61.814%0.14131%0.313CS..EExtended strand (participates in β ladder)trans-74.2112.1172.4-17864.1000109.8L33 L182 Y185 F196 L219 L221L33-L193 HydrophobicContact CD2-CD2 3.84Å; L182-L193 HydrophobicContact CD1-CD2 3.68Å; L182-L193 HydrophobicContact CD2-CD2 3.57Å; L182-L193 HydrophobicContact CG-CD2 4.28Å; Y185-L193 HydrophobicContact CD1-CD2 4.31Å; Y185-L193 HydrophobicContact CE1-CB 4.03Å; Y185-L193 HydrophobicContact CE1-CD2 4.06Å; L193-F196 HydrophobicContact CD1-CB 4.29Å; L193-L219 HydrophobicContact CD1-CD1 3.37Å; L193-L219 HydrophobicContact CD1-CG 4.46Å; L193-L221 HydrophobicContact CD1-CD2 3.79Å
194V92.3Very high93.4Very high63 Ų6361.4 Ų61.438%0.38231%0.314SS..EExtended strand (participates in β ladder)trans-85.4-48.7179.3177.80000110.6T192 I220 A222 I503T192-V194 PolarHBondContact O-N 2.8Å; V194-I220 HydrophobicContact CB-CB 4.34Å; V194-I220 HydrophobicContact CB-CG2 3.97Å; V194-I220 HydrophobicContact CG1-CG2 4.31Å; V194-I220 HydrophobicContact CG2-CG2 4.48Å; V194-I220 PolarHBondContact N-O 3.32Å; V194-A222 HydrophobicContact CG2-CB 3.69Å; V194-I503 HydrophobicContact CG1-CD1 3.86Å; V194-I503 HydrophobicContact CG2-CD1 4.18Å
195S92.6Very high93.5Very high22 Ų2260.7 Ų60.715%0.15431%0.306CS..EExtended strand (participates in β ladder)trans-155.2142.3-177.9-1630000110.4K197 I220 Y509S195-K197 WeakPolarHBondContact OG-CE 3.44Å; S195-I220 PolarHBondContact N-O 3.47Å; S195-I220 PolarHBondContact O-N 3.16Å; S195-Y509 PolarHBondContact OG-OH 3.04Å
196F94.7Very high93.4Very high7 Ų768.7 Ų68.73%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-137.7105169.3-163.6-179.2000109.7L33 L48 M50 M159 V180 L193 C217 D218 L219L33-F196 HydrophobicContact CB-CD1 4.13Å; L33-F196 HydrophobicContact CB-CE1 4.11Å; L33-F196 HydrophobicContact CD1-CE1 4.33Å; L33-F196 HydrophobicContact CD2-CD1 3.93Å; L33-F196 HydrophobicContact CD2-CE1 4.19Å; L33-F196 HydrophobicContact CG-CE1 4.44Å; L48-F196 HydrophobicContact CD1-CE1 4.39Å; L48-F196 HydrophobicContact CD1-CZ 4.22Å; M50-F196 HydrophobicContact CE-CE1 3.71Å; M50-F196 HydrophobicContact CE-CZ 3.75Å; M50-F196 HydrophobicContact SD-CE1 4.3Å; M50-F196 HydrophobicContact SD-CZ 4.23Å; M159-F196 HydrophobicContact SD-CZ 4.24Å; V180-F196 HydrophobicContact CB-CB 4.05Å; V180-F196 HydrophobicContact CB-CD1 3.72Å; V180-F196 HydrophobicContact CB-CD2 4.29Å; V180-F196 HydrophobicContact CB-CE1 4.27Å; V180-F196 HydrophobicContact CB-CG 3.74Å; V180-F196 HydrophobicContact CG1-CD1 3.62Å; V180-F196 HydrophobicContact CG1-CE1 3.84Å; V180-F196 HydrophobicContact CG1-CG 4.18Å; V180-F196 HydrophobicContact CG2-CB 4.23Å; V180-F196 HydrophobicContact CG2-CD1 3.82Å; V180-F196 HydrophobicContact CG2-CD2 3.6Å; V180-F196 HydrophobicContact CG2-CE1 4.07Å; V180-F196 HydrophobicContact CG2-CE2 3.88Å; V180-F196 HydrophobicContact CG2-CG 3.58Å; V180-F196 HydrophobicContact CG2-CZ 4.1Å; V180-F196 PolarHBondContact N-O 3.44Å; L193-F196 HydrophobicContact CD1-CB 4.29Å; F196-C217 HydrophobicContact CE2-CB 3.71Å; F196-C217 HydrophobicContact CZ-CB 4.36Å; F196-D218 WeakPolarHBondContact CA-O 3.47Å; F196-D218 WeakPolarHBondContact CD2-O 3.26Å; F196-L219 HydrophobicContact CB-CD1 4.19Å; F196-L219 HydrophobicContact CD1-CD1 3.76Å; F196-L219 HydrophobicContact CD2-CB 4.11Å; F196-L219 HydrophobicContact CD2-CD1 4.08Å; F196-L219 HydrophobicContact CE1-CD1 4.07Å; F196-L219 HydrophobicContact CE2-CB 4.07Å; F196-L219 HydrophobicContact CE2-CD1 4.35Å; F196-L219 HydrophobicContact CG-CD1 3.77Å; F196-L219 HydrophobicContact CZ-CD1 4.36Å
197K94.7Very high93.2Very high92 Ų9269.9 Ų69.940%0.436%0.359SS..EExtended strand (participates in β ladder)trans-122.7151.3-173.5-65.7-172.7177-1780111.4Q178 D179 S195 C217 D218Q178-K197 CarbonylContact O-C 3.58Å; Q178-K197 WeakPolarHBondContact O-CA 3.34Å; D179-K197 WeakPolarHBondContact OD1-CE 3.37Å; D179-K197 WeakPolarHBondContact OD1-CG 3.34Å; S195-K197 WeakPolarHBondContact OG-CE 3.44Å; K197-C217 CarbonylContact O-C 3.5Å; K197-C217 VanDerWaalsContact O-CA 3.3Å; K197-C217 WeakPolarHBondContact O-CA 3.39Å; K197-D218 PolarHBondContact N-O 2.89Å; K197-D218 PolarHBondContact O-N 2.67Å
198T94.1Very high93.1Very high14 Ų1466.4 Ų66.49%0.08635%0.347CS..EExtended strand (participates in β ladder)trans-118.2132.7175.867.60000110.3P175 A177 Q178 V180 Y216 C217P175-T198 WeakPolarHBondContact CB-OG1 3.27Å; A177-T198 PolarHBondContact O-OG1 3.38Å; Q178-T198 PolarHBondContact O-N 3.12Å; Q178-T198 PolarHBondContact O-OG1 2.93Å; V180-T198 HydrophobicContact CG2-CG2 3.49Å; V180-T198 VanDerWaalsContact CG2-CG2 3.49Å; T198-Y216 CarbonylContact C-O 3.53Å; T198-Y216 VanDerWaalsContact CA-O 3.28Å; T198-Y216 WeakPolarHBondContact CA-O 3.4Å; T198-C217 HydrophobicContact CG2-CB 4.02Å
199K93.7Very high93.1Very high59 Ų5971.6 Ų71.626%0.25738%0.381SS..EExtended strand (participates in β ladder)trans-132.5139.9177.265.8-175.4-175.7-168.90110.7V201 L215 Y216 D218 D508K199-V201 HydrophobicContact CG-CG2 4.21Å; K199-L215 WeakPolarHBondContact O-CA 3.38Å; K199-Y216 PolarHBondContact N-O 3.36Å; K199-Y216 PolarHBondContact O-N 2.93Å; K199-D218 WeakPolarHBondContact CE-OD2 3.37Å; K199-D218 IonicContact NZ-OD2 2.71Å; K199-D218 PolarHBondContact NZ-OD2 3.2Å; K199-D508 PolarHBondContact NZ-O 2.72Å
200R94.7Very high93.2Very high85 Ų8569.4 Ų69.432%0.32136%0.361SS..EExtended strand (participates in β ladder)trans-85.4129.6172.9-179.5-177.7173.4-95.45.6109.3D172 Y173 F174 S213 L214 L215D172-R200 IonicContact OD1-CZ 3.45Å; D172-R200 VanDerWaalsContact OD1-CZ 3.28Å; D172-R200 IonicContact OD1-NE 2.86Å; D172-R200 PolarHBondContact OD1-NE 3.38Å; D172-R200 IonicContact OD1-NH2 2.7Å; D172-R200 PolarHBondContact OD1-NH2 3.43Å; D172-R200 IonicContact OD2-CZ 3.28Å; D172-R200 IonicContact OD2-NE 3.5Å; D172-R200 IonicContact OD2-NH2 2.83Å; D172-R200 PolarHBondContact OD2-NH2 2.92Å; Y173-R200 WeakPolarHBondContact O-CD 3.19Å; Y173-R200 WeakPolarHBondContact O-CG 3.01Å; Y173-R200 PolarHBondContact O-NE 3.49Å; F174-R200 VanDerWaalsContact CD1-CD 3.48Å; R200-S213 PolarHBondContact NE-OG 2.84Å; R200-L214 CarbonylContact C-O 3.55Å; R200-L214 WeakPolarHBondContact CA-O 3.49Å; R200-L215 HydrophobicContact CB-CD2 4.05Å; R200-L215 HydrophobicContact CG-CD2 4.49Å
201V95.1Very high93.4Very high39 Ų3967.9 Ų67.924%0.23636%0.357CS..EExtended strand (participates in β ladder)trans-130.3128.1176.9-179.90000108.6K199 L214 Y216K199-V201 HydrophobicContact CG-CG2 4.21Å; V201-L214 PolarHBondContact N-O 3.47Å; V201-L214 PolarHBondContact O-N 2.9Å; V201-Y216 HydrophobicContact CB-CD2 4.21Å; V201-Y216 HydrophobicContact CB-CE2 3.99Å; V201-Y216 HydrophobicContact CG1-CE2 4.06Å; V201-Y216 HydrophobicContact CG2-CD2 3.57Å; V201-Y216 HydrophobicContact CG2-CE2 3.73Å; V201-Y216 HydrophobicContact CG2-CG 4.2Å
202L95.4Very high93.5Very high81 Ų8168.8 Ų68.842%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-85.9124.5168.3-69.6176.6000108.3P211 F212L202-P211 HydrophobicContact CB-CB 4.2Å; L202-F212 WeakPolarHBondContact CA-O 3.29Å
203K93.8Very high93.7Very high96 Ų9666.2 Ų66.242%0.41735%0.345SS..EExtended strand (participates in β ladder)trans-121.6122.5-177-173.269.9-178.8-179.90111Y205 P211 F212 L214K203-Y205 HydrophobicContact CB-CE2 4.15Å; K203-Y205 HydrophobicContact CG-CD2 4.38Å; K203-Y205 HydrophobicContact CG-CE2 3.95Å; K203-P211 WeakPolarHBondContact O-CA 3.23Å; K203-F212 PolarHBondContact N-O 3.19Å; K203-F212 PolarHBondContact O-N 3.16Å; K203-L214 HydrophobicContact CB-CD1 3.62Å; K203-L214 HydrophobicContact CB-CG 4.25Å; K203-L214 HydrophobicContact CG-CD1 4.14Å
204D94.2Very high93.8Very high113 Ų11365 Ų6560%0.60434%0.339SS*.  trans-80130.3170.2-60.3-53.4000110.4P211D204-P211 VanDerWaalsContact OD1-CB 3.3Å; D204-P211 WeakPolarHBondContact OD1-CB 3.43Å
205Y91.9Very high94Very high76 Ų7662.1 Ų62.130%0.29832%0.321SS..  trans-112.3142.5175.6-74.2-83.4000110.1K203 C207 C208 F212 L214K203-Y205 HydrophobicContact CB-CE2 4.15Å; K203-Y205 HydrophobicContact CG-CD2 4.38Å; K203-Y205 HydrophobicContact CG-CE2 3.95Å; Y205-C207 PolarHBondContact O-N 3.39Å; Y205-C207 VanDerWaalsContact O-N 3.1Å; Y205-C208 PolarHBondContact O-N 2.98Å; Y205-C208 VanDerWaalsContact O-O 3.07Å; Y205-F212 HydrophobicContact CD2-CB 4Å; Y205-F212 AromaticContact CD2-CD2 3.67Å; Y205-F212 HydrophobicContact CD2-CD2 3.67Å; Y205-F212 HydrophobicContact CD2-CE2 4.36Å; Y205-F212 AromaticContact CD2-CG 3.89Å; Y205-F212 HydrophobicContact CD2-CG 3.89Å; Y205-F212 HydrophobicContact CE2-CB 3.83Å; Y205-F212 HydrophobicContact CE2-CD2 4.29Å; Y205-F212 HydrophobicContact CE2-CG 4.04Å; Y205-L214 HydrophobicContact CE2-CD1 4.43Å
206Q91.9Very high94.1Very high212 Ų21262.7 Ų62.799%0.99132%0.32SS*.THydrogen-bonded Turntrans-60.5-25-176.2-67.4178.6-6.600114.3C208Q206-C208 VanDerWaalsContact C-N 3.25Å; Q206-C208 PolarHBondContact O-N 3.44Å
207C91.2Very high94.2Very high106 Ų10662.4 Ų62.472%0.71632%0.319SS*.THydrogen-bonded Turntrans-69.2-23.4178.258.90000114Y205Y205-C207 PolarHBondContact O-N 3.39Å; Y205-C207 VanDerWaalsContact O-N 3.1Å
208C90.8Very high94.2Very high46 Ų4658.2 Ų58.231%0.31130%0.301SS..  trans-136.8136.9-146.4-59.90000110.1Y205 Q206 F212Y205-C208 PolarHBondContact O-N 2.98Å; Y205-C208 VanDerWaalsContact O-O 3.07Å; Q206-C208 VanDerWaalsContact C-N 3.25Å; Q206-C208 PolarHBondContact O-N 3.44Å; C208-F212 HydrophobicContact CB-CE2 3.68Å; C208-F212 HydrophobicContact CB-CZ 4.47Å
209V91.7Very high94.2Very high140 Ų14057.6 Ų57.685%0.84830%0.297SS*.SBendtrans-73.5-34.8-173.2-178.50000111.8
210N93.5Very high94.3Very high59 Ų5954.8 Ų54.832%0.31629%0.285SS..SBendtrans-105150-176.7-63.5-36.6000111.1D167 T169D167-N210 HydrophobicContact CB-CB 3.84Å; D167-N210 VanDerWaalsContact OD2-CB 3.28Å; D167-N210 WeakPolarHBondContact OD2-CB 3.38Å; D167-N210 PolarHBondContact OD2-ND2 2.95Å; T169-N210 HydrophobicContact CG2-CB 4.19Å
211P95.4Very high94.2Very high32 Ų3250.8 Ų50.821%0.20827%0.27CS..  trans-66.2152.1174.723.7-30.8000111.6S168 L202 K203 D204S168-P211 VanDerWaalsContact CB-O 3.29Å; S168-P211 WeakPolarHBondContact CB-O 3.19Å; S168-P211 PolarHBondContact N-O 3.11Å; S168-P211 PolarHBondContact OG-O 3.43Å; L202-P211 HydrophobicContact CB-CB 4.2Å; K203-P211 WeakPolarHBondContact O-CA 3.23Å; D204-P211 VanDerWaalsContact OD1-CB 3.3Å; D204-P211 WeakPolarHBondContact OD1-CB 3.43Å
212F95.7Very high94.1Very high19 Ų1950.1 Ų50.18%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-95.9142170.7-77.9-114.1000109.7F166 D167 L202 K203 Y205 C208 L214F166-F212 WeakPolarHBondContact O-CD1 3.42Å; D167-F212 HydrophobicContact CB-CE2 4.4Å; L202-F212 WeakPolarHBondContact CA-O 3.29Å; K203-F212 PolarHBondContact N-O 3.19Å; K203-F212 PolarHBondContact O-N 3.16Å; Y205-F212 HydrophobicContact CD2-CB 4Å; Y205-F212 AromaticContact CD2-CD2 3.67Å; Y205-F212 HydrophobicContact CD2-CD2 3.67Å; Y205-F212 HydrophobicContact CD2-CE2 4.36Å; Y205-F212 AromaticContact CD2-CG 3.89Å; Y205-F212 HydrophobicContact CD2-CG 3.89Å; Y205-F212 HydrophobicContact CE2-CB 3.83Å; Y205-F212 HydrophobicContact CE2-CD2 4.29Å; Y205-F212 HydrophobicContact CE2-CG 4.04Å; C208-F212 HydrophobicContact CB-CE2 3.68Å; C208-F212 HydrophobicContact CB-CZ 4.47Å; F212-L214 HydrophobicContact CB-CD2 4.45Å
213S96.1Very high93.9Very high3 Ų347 Ų472%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-88.7109.8175.6-170.80000110.2D172 Y173 R200D172-S213 VanDerWaalsContact OD1-CB 3.25Å; D172-S213 WeakPolarHBondContact OD1-CB 3.47Å; D172-S213 PolarHBondContact OD1-OG 3.09Å; Y173-S213 WeakPolarHBondContact CD2-O 3.47Å; Y173-S213 PolarHBondContact N-OG 3.16Å; Y173-S213 VanDerWaalsContact N-OG 3.11Å; Y173-S213 PolarHBondContact O-OG 3.04Å; R200-S213 PolarHBondContact NE-OG 2.84Å
214L96.3Very high93.8Very high1 Ų145.1 Ų45.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-110.1143.1-179.5-54.8-179.3000110.8Y89 T160 F161 R200 V201 K203 Y205 F212 Y216Y89-L214 HydrophobicContact CE2-CD2 3.97Å; T160-L214 HydrophobicContact CG2-CB 4.44Å; T160-L214 HydrophobicContact CG2-CD1 4.07Å; T160-L214 HydrophobicContact CG2-CD2 4.47Å; F161-L214 CarbonylContact O-C 3.55Å; F161-L214 VanDerWaalsContact O-CA 3.29Å; F161-L214 WeakPolarHBondContact O-CA 3.47Å; R200-L214 CarbonylContact C-O 3.55Å; R200-L214 WeakPolarHBondContact CA-O 3.49Å; V201-L214 PolarHBondContact N-O 3.47Å; V201-L214 PolarHBondContact O-N 2.9Å; K203-L214 HydrophobicContact CB-CD1 3.62Å; K203-L214 HydrophobicContact CB-CG 4.25Å; K203-L214 HydrophobicContact CG-CD1 4.14Å; Y205-L214 HydrophobicContact CE2-CD1 4.43Å; F212-L214 HydrophobicContact CB-CD2 4.45Å; L214-Y216 HydrophobicContact CB-CD1 4.33Å; L214-Y216 HydrophobicContact CB-CE1 3.98Å; L214-Y216 HydrophobicContact CD1-CE1 3.88Å
215L95.9Very high93.6Very high3 Ų341.5 Ų41.52%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-106.5109.5167.5-65177.2000108.8V29 F161 P175 K199 R200V29-L215 HydrophobicContact CB-CD1 3.72Å; V29-L215 HydrophobicContact CG1-CD1 4.48Å; V29-L215 HydrophobicContact CG2-CD1 3.69Å; F161-L215 HydrophobicContact CB-CB 4.23Å; F161-L215 PolarHBondContact N-O 3.07Å; F161-L215 PolarHBondContact O-N 3.25Å; P175-L215 HydrophobicContact CB-CD2 4.36Å; P175-L215 HydrophobicContact CG-CD2 4.38Å; K199-L215 WeakPolarHBondContact O-CA 3.38Å; R200-L215 HydrophobicContact CB-CD2 4.05Å; R200-L215 HydrophobicContact CG-CD2 4.49Å
216Y95.9Very high93.5Very high34 Ų3447 Ų4713%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-85.9120.1170.3-66.5-11.1000108.8R158 M159 T160 T198 K199 V201 L214R158-Y216 HydrophobicContact CG-CG 4.27Å; M159-Y216 CarbonylContact O-C 3.6Å; M159-Y216 WeakPolarHBondContact O-CA 3.21Å; T160-Y216 HydrophobicContact CG2-CD1 3.83Å; T160-Y216 HydrophobicContact CG2-CE1 3.56Å; T198-Y216 CarbonylContact C-O 3.53Å; T198-Y216 VanDerWaalsContact CA-O 3.28Å; T198-Y216 WeakPolarHBondContact CA-O 3.4Å; K199-Y216 PolarHBondContact N-O 3.36Å; K199-Y216 PolarHBondContact O-N 2.93Å; V201-Y216 HydrophobicContact CB-CD2 4.21Å; V201-Y216 HydrophobicContact CB-CE2 3.99Å; V201-Y216 HydrophobicContact CG1-CE2 4.06Å; V201-Y216 HydrophobicContact CG2-CD2 3.57Å; V201-Y216 HydrophobicContact CG2-CE2 3.73Å; V201-Y216 HydrophobicContact CG2-CG 4.2Å; L214-Y216 HydrophobicContact CB-CD1 4.33Å; L214-Y216 HydrophobicContact CB-CE1 3.98Å; L214-Y216 HydrophobicContact CD1-CE1 3.88Å
217C95.5Very high93.4Very high1 Ų143.8 Ų43.81%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-106.7103.1173.3-46.90000107.5M159 F196 K197 T198M159-C217 HydrophobicContact CB-CB 4.14Å; M159-C217 PolarHBondContact N-O 2.88Å; M159-C217 PolarHBondContact O-N 3.19Å; F196-C217 HydrophobicContact CE2-CB 3.71Å; F196-C217 HydrophobicContact CZ-CB 4.36Å; K197-C217 CarbonylContact O-C 3.5Å; K197-C217 VanDerWaalsContact O-CA 3.3Å; K197-C217 WeakPolarHBondContact O-CA 3.39Å; T198-C217 HydrophobicContact CG2-CB 4.02Å
218D95.3Very high93.3Very high4 Ų439 Ų392%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-93109.8-173.9-67.7-11.7000109.1F156 R158 F196 K197 K199 Y509F156-D218 HydrophobicContact CE2-CB 3.87Å; F156-D218 HydrophobicContact CZ-CB 3.96Å; R158-D218 VanDerWaalsContact CG-OD1 3.28Å; R158-D218 WeakPolarHBondContact CG-OD1 3.47Å; R158-D218 IonicContact CZ-OD1 2.93Å; R158-D218 IonicContact CZ-OD2 3.1Å; R158-D218 IonicContact NE-OD1 3.6Å; R158-D218 PolarHBondContact NE-OD1 3.03Å; R158-D218 IonicContact NE-OD2 2.85Å; R158-D218 IonicContact NH2-OD1 3.84Å; R158-D218 PolarHBondContact NH2-OD1 3.42Å; R158-D218 IonicContact NH2-OD2 2.91Å; R158-D218 PolarHBondContact NH2-OD2 3.37Å; F196-D218 WeakPolarHBondContact CA-O 3.47Å; F196-D218 WeakPolarHBondContact CD2-O 3.26Å; K197-D218 PolarHBondContact N-O 2.89Å; K197-D218 PolarHBondContact O-N 2.67Å; K199-D218 WeakPolarHBondContact CE-OD2 3.37Å; K199-D218 IonicContact NZ-OD2 2.71Å; K199-D218 PolarHBondContact NZ-OD2 3.2Å; D218-Y509 HydrophobicContact CB-CD2 4.4Å; D218-Y509 HydrophobicContact CB-CE2 3.65Å
219L95.1Very high93.2Very high0 Ų038.6 Ų38.60%019%0.191CC..EExtended strand (participates in β ladder)trans-99120.6178.7-18074.7000109.6V46 L48 C157 L193 F196 L221V46-L219 HydrophobicContact CG1-CD2 4.37Å; L48-L219 HydrophobicContact CD1-CD2 4.05Å; L48-L219 HydrophobicContact CD2-CD2 4.07Å; C157-L219 HydrophobicContact CB-CB 4.25Å; C157-L219 HydrophobicContact CB-CD2 4.39Å; C157-L219 PolarHBondContact N-O 3.02Å; C157-L219 WeakPolarHBondContact O-CB 3.32Å; C157-L219 PolarHBondContact O-N 3.44Å; L193-L219 HydrophobicContact CD1-CD1 3.37Å; L193-L219 HydrophobicContact CD1-CG 4.46Å; F196-L219 HydrophobicContact CB-CD1 4.19Å; F196-L219 HydrophobicContact CD1-CD1 3.76Å; F196-L219 HydrophobicContact CD2-CB 4.11Å; F196-L219 HydrophobicContact CD2-CD1 4.08Å; F196-L219 HydrophobicContact CE1-CD1 4.07Å; F196-L219 HydrophobicContact CE2-CB 4.07Å; F196-L219 HydrophobicContact CE2-CD1 4.35Å; F196-L219 HydrophobicContact CG-CD1 3.77Å; F196-L219 HydrophobicContact CZ-CD1 4.36Å; L219-L221 HydrophobicContact CD1-CD2 4.12Å; L219-L221 HydrophobicContact CD2-CD1 3.83Å; L219-L221 HydrophobicContact CD2-CD2 4.23Å; L219-L221 HydrophobicContact CD2-CG 4.08Å; L219-L221 HydrophobicContact CG-CD1 4.27Å; L219-L221 HydrophobicContact CG-CD2 4.05Å; L219-L221 HydrophobicContact CG-CG 3.96Å
220I94.2Very high93.1Very high1 Ų134.6 Ų34.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-114.9119.3178.8-55.3-176000109.4Q155 F156 V194 S195 F505 Y509Q155-I220 WeakPolarHBondContact O-CA 3.33Å; F156-I220 HydrophobicContact CD2-CD1 4.1Å; F156-I220 HydrophobicContact CD2-CG1 3.9Å; F156-I220 HydrophobicContact CE2-CD1 4.42Å; F156-I220 HydrophobicContact CE2-CG1 4.4Å; V194-I220 HydrophobicContact CB-CB 4.34Å; V194-I220 HydrophobicContact CB-CG2 3.97Å; V194-I220 HydrophobicContact CG1-CG2 4.31Å; V194-I220 HydrophobicContact CG2-CG2 4.48Å; V194-I220 PolarHBondContact N-O 3.32Å; S195-I220 PolarHBondContact N-O 3.47Å; S195-I220 PolarHBondContact O-N 3.16Å; I220-F505 HydrophobicContact CD1-CD1 3.6Å; I220-F505 HydrophobicContact CD1-CE1 3.41Å; I220-F505 VanDerWaalsContact CD1-CE1 3.41Å; I220-Y509 HydrophobicContact CD1-CD2 4.43Å; I220-Y509 HydrophobicContact CD1-CE1 3.88Å; I220-Y509 HydrophobicContact CD1-CE2 3.72Å; I220-Y509 WeakPolarHBondContact CD1-OH 3.42Å
221L93.7Very high93Very high0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-120.3141.3-175.5-57.8170.9000110I36 I39 W154 Q155 W191 T192 L193 L219I36-L221 HydrophobicContact CD1-CD2 3.55Å; I39-L221 HydrophobicContact CD1-CD1 3.51Å; I39-L221 HydrophobicContact CG1-CD1 4.49Å; W154-L221 CarbonylContact C-O 3.47Å; W154-L221 WeakPolarHBondContact CA-O 3.43Å; W154-L221 WeakPolarHBondContact CB-O 3.26Å; Q155-L221 HydrophobicContact CB-CB 4.48Å; Q155-L221 PolarHBondContact N-O 3.47Å; Q155-L221 PolarHBondContact O-N 2.94Å; W191-L221 HydrophobicContact CD2-CB 4.5Å; W191-L221 HydrophobicContact CE3-CB 3.81Å; W191-L221 HydrophobicContact CZ3-CB 4.35Å; T192-L221 WeakPolarHBondContact O-CA 3.23Å; L193-L221 HydrophobicContact CD1-CD2 3.79Å; L219-L221 HydrophobicContact CD1-CD2 4.12Å; L219-L221 HydrophobicContact CD2-CD1 3.83Å; L219-L221 HydrophobicContact CD2-CD2 4.23Å; L219-L221 HydrophobicContact CD2-CG 4.08Å; L219-L221 HydrophobicContact CG-CD1 4.27Å; L219-L221 HydrophobicContact CG-CD2 4.05Å; L219-L221 HydrophobicContact CG-CG 3.96Å
222A92.4Very high92.7Very high25 Ų2536 Ų3621%0.20717%0.172CC..EExtended strand (participates in β ladder)trans-118.4133171.500000110T192 V194T192-A222 PolarHBondContact N-O 3.33Å; T192-A222 PolarHBondContact O-N 3.05Å; V194-A222 HydrophobicContact CG2-CB 3.69Å
223R92.4Very high92.3Very high15 Ų1536 Ų366%0.05717%0.173CC..EExtended strand (participates in β ladder)trans-74.1141.4-179.6-167-179.2-60.3-94.51.4111E41 D153 E190 W191 P225E41-R223 IonicContact OE1-CZ 3.84Å; E41-R223 VanDerWaalsContact OE1-CZ 3.25Å; E41-R223 IonicContact OE1-NH1 3.61Å; E41-R223 PolarHBondContact OE1-NH1 2.91Å; E41-R223 IonicContact OE1-NH2 3.62Å; E41-R223 PolarHBondContact OE1-NH2 3.44Å; D153-R223 PolarHBondContact O-N 3.19Å; D153-R223 WeakPolarHBondContact OD1-CD 3.26Å; D153-R223 IonicContact OD1-CZ 3.25Å; D153-R223 IonicContact OD1-NE 2.73Å; D153-R223 PolarHBondContact OD1-NE 2.92Å; D153-R223 IonicContact OD2-CZ 2.67Å; D153-R223 IonicContact OD2-NE 3.85Å; D153-R223 PolarHBondContact OD2-NE 3.03Å; D153-R223 IonicContact OD2-NH2 2.82Å; D153-R223 PolarHBondContact OD2-NH2 3.44Å; D153-R223 VanDerWaalsContact OD2-NH2 3.1Å; E190-R223 HydrophobicContact CG-CG 4.28Å; E190-R223 IonicContact OE1-CZ 3.68Å; E190-R223 IonicContact OE1-NH1 2.86Å; E190-R223 PolarHBondContact OE1-NH1 2.87Å; W191-R223 HydrophobicContact CE3-CB 3.98Å; W191-R223 HydrophobicContact CH2-CB 4.1Å; W191-R223 HydrophobicContact CH2-CG 4.46Å; W191-R223 VanDerWaalsContact CH2-CZ 3.44Å; W191-R223 HydrophobicContact CZ3-CB 3.67Å; W191-R223 HydrophobicContact CZ3-CG 4.39Å; R223-P225 WeakPolarHBondContact O-CD 3.16Å
224K91.7Very high92Very high58 Ų5839.9 Ų39.925%0.25219%0.193SC..  trans-85.7108.1169.7-66.1171.9178.1173.80109E187 H188 S189 E190 T192 W226E187-K224 WeakPolarHBondContact OE1-CE 3.48Å; E187-K224 IonicContact OE1-NZ 3.22Å; E187-K224 PolarHBondContact OE1-NZ 3Å; H188-K224 PolarHBondContact O-NZ 3.48Å; S189-K224 WeakPolarHBondContact O-CD 3.38Å; E190-K224 WeakPolarHBondContact O-CB 3.46Å; E190-K224 PolarHBondContact O-N 3.27Å; T192-K224 WeakPolarHBondContact OG1-CE 3.39Å; K224-W226 VanDerWaalsContact C-N 3.28Å; K224-W226 PolarHBondContact O-N 2.91Å
225P90Very high91.8Very high36 Ų3642.1 Ų42.123%0.23421%0.207CC..THydrogen-bonded Turntrans-77.6-8.6-167.431.1-37.8000114.6P151 F152 R223 F227 S228 L229P151-P225 HydrophobicContact CB-CB 4.27Å; P151-P225 HydrophobicContact CG-CB 4.17Å; F152-P225 HydrophobicContact CD1-CB 3.72Å; F152-P225 HydrophobicContact CD1-CG 3.77Å; F152-P225 HydrophobicContact CE1-CB 3.52Å; F152-P225 HydrophobicContact CE1-CG 3.57Å; F152-P225 HydrophobicContact CZ-CB 4.2Å; R223-P225 WeakPolarHBondContact O-CD 3.16Å; P225-F227 PolarHBondContact O-N 2.68Å; P225-S228 PolarHBondContact O-N 2.89Å; P225-L229 HydrophobicContact CB-CD1 4.08Å; P225-L229 HydrophobicContact CB-CG 4.5Å; P225-L229 HydrophobicContact CG-CD1 4.38Å; P225-L229 WeakPolarHBondContact O-CG 3.45Å; P225-L229 PolarHBondContact O-N 3.45Å
226W88.6Confident91.6Very high193 Ų19342.1 Ų42.173%0.73121%0.207SC*.Hα-helixtrans-61.2-44.2-166.5-173.2-108.3000113.6K224 L229 V230K224-W226 VanDerWaalsContact C-N 3.28Å; K224-W226 PolarHBondContact O-N 2.91Å; W226-L229 PolarHBondContact O-N 3.44Å; W226-V230 HydrophobicContact CD2-CG2 4.38Å; W226-V230 HydrophobicContact CZ2-CG2 4.16Å; W226-V230 WeakPolarHBondContact O-CG2 3.23Å; W226-V230 PolarHBondContact O-N 3.01Å; W226-V230 VanDerWaalsContact O-N 3.11Å
227F90.5Very high91.3Very high144 Ų14441.2 Ų41.263%0.63221%0.207SC*.Hα-helixtrans-61.2-47.8179.3177.3-95.5000111.5P225 L229 V230 N231P225-F227 PolarHBondContact O-N 2.68Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 3.46Å; F227-V230 PolarHBondContact O-N 3.22Å; F227-N231 WeakPolarHBondContact CD2-ND2 2.99Å; F227-N231 WeakPolarHBondContact CE2-ND2 3.24Å; F227-N231 WeakPolarHBondContact CZ-ND2 3.44Å; F227-N231 WeakPolarHBondContact O-CB 3.38Å; F227-N231 PolarHBondContact O-N 3.46Å
228S87.9Confident91.2Very high5 Ų545.7 Ų45.74%0.03523%0.23CC..Hα-helixtrans-67.2-34.2178.6-51.10000112Y150 P225 L232 I233Y150-S228 PolarHBondContact OH-OG 3.35Å; P225-S228 PolarHBondContact O-N 2.89Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 PolarHBondContact O-N 3.19Å; S228-I233 PolarHBondContact O-N 3.23Å
229L88.9Confident91Very high37 Ų3748 Ų4819%0.19424%0.242CC..Iπ-helixtrans-62.3-48.9175-74.9165000111.6F152 P225 W226 F227 I233 I234F152-L229 HydrophobicContact CE1-CD1 4.43Å; F152-L229 HydrophobicContact CZ-CD1 4.21Å; F152-L229 HydrophobicContact CZ-CD2 4.21Å; P225-L229 HydrophobicContact CB-CD1 4.08Å; P225-L229 HydrophobicContact CB-CG 4.5Å; P225-L229 HydrophobicContact CG-CD1 4.38Å; P225-L229 WeakPolarHBondContact O-CG 3.45Å; P225-L229 PolarHBondContact O-N 3.45Å; W226-L229 PolarHBondContact O-N 3.44Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 3.46Å; L229-I233 HydrophobicContact CD2-CB 4.33Å; L229-I233 HydrophobicContact CD2-CD1 3.53Å; L229-I233 HydrophobicContact CD2-CG1 4.47Å; L229-I233 HydrophobicContact CD2-CG2 4.48Å; L229-I233 HydrophobicContact CG-CD1 4.35Å; L229-I233 PolarHBondContact O-N 2.93Å; L229-I234 WeakPolarHBondContact O-CG1 3.21Å; L229-I234 PolarHBondContact O-N 3.46Å
230V90.8Very high90.9Very high57 Ų5748.1 Ų48.135%0.34524%0.242SC..Iπ-helixtrans-73.6-38.1-174.9175.90000112.9W226 F227 I234 P235W226-V230 HydrophobicContact CD2-CG2 4.38Å; W226-V230 HydrophobicContact CZ2-CG2 4.16Å; W226-V230 WeakPolarHBondContact O-CG2 3.23Å; W226-V230 PolarHBondContact O-N 3.01Å; W226-V230 VanDerWaalsContact O-N 3.11Å; F227-V230 PolarHBondContact O-N 3.22Å; V230-I234 HydrophobicContact CG2-CD1 4.39Å; V230-P235 VanDerWaalsContact O-CD 3.23Å; V230-P235 WeakPolarHBondContact O-CD 3.38Å
231N90Very high90.7Very high94 Ų9450.6 Ų50.650%0.50325%0.253SS..Iπ-helixtrans-95.1-17.7-172.8-67.7-33.2000114.4F227F227-N231 WeakPolarHBondContact CD2-ND2 2.99Å; F227-N231 WeakPolarHBondContact CE2-ND2 3.24Å; F227-N231 WeakPolarHBondContact CZ-ND2 3.44Å; F227-N231 WeakPolarHBondContact O-CB 3.38Å; F227-N231 PolarHBondContact O-N 3.46Å
232L88.9Confident90.7Very high26 Ų2654.9 Ų54.914%0.13628%0.279CS..Iπ-helixtrans-122.3-52.3-173.7-170.7167.6000111.1Y150 S228 T236 V278 I292 Y296Y150-L232 HydrophobicContact CE1-CD1 4.47Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 PolarHBondContact O-N 3.19Å; L232-T236 WeakPolarHBondContact O-CB 3.32Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.47Å; L232-T236 PolarHBondContact O-OG1 2.91Å; L232-V278 HydrophobicContact CD1-CG2 3.34Å; L232-V278 HydrophobicContact CD2-CG2 4.26Å; L232-V278 HydrophobicContact CG-CG2 3.86Å; L232-I292 HydrophobicContact CD2-CD1 3.67Å; L232-I292 HydrophobicContact CD2-CG1 4.16Å; L232-Y296 HydrophobicContact CD2-CE2 4.05Å; L232-Y296 VanDerWaalsContact CD2-OH 3.26Å; L232-Y296 WeakPolarHBondContact CD2-OH 3.19Å
233I88.9Confident90.6Very high18 Ų1853.7 Ų53.79%0.09227%0.269CS..Iπ-helixtrans-78.1-43.9-173.9-63.2170000112.2P151 S228 L229 T236 A237 I292 V493P151-I233 HydrophobicContact CG-CD1 4.15Å; S228-I233 PolarHBondContact O-N 3.23Å; L229-I233 HydrophobicContact CD2-CB 4.33Å; L229-I233 HydrophobicContact CD2-CD1 3.53Å; L229-I233 HydrophobicContact CD2-CG1 4.47Å; L229-I233 HydrophobicContact CD2-CG2 4.48Å; L229-I233 HydrophobicContact CG-CD1 4.35Å; L229-I233 PolarHBondContact O-N 2.93Å; I233-T236 WeakPolarHBondContact CA-OG1 3.19Å; I233-T236 PolarHBondContact O-OG1 2.93Å; I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.12Å; I233-I292 HydrophobicContact CG1-CD1 4.37Å; I233-V493 HydrophobicContact CG2-CG2 4.39Å
234I89.3Confident90.6Very high86 Ų8653 Ų5344%0.44127%0.266SS..Hα-helixtrans-65.3-47.9180-68.2177000112.1L229 V230 T236 A237 I238L229-I234 WeakPolarHBondContact O-CG1 3.21Å; L229-I234 PolarHBondContact O-N 3.46Å; V230-I234 HydrophobicContact CG2-CD1 4.39Å; I234-T236 VanDerWaalsContact C-N 3.35Å; I234-T236 PolarHBondContact O-N 3.16Å; I234-A237 PolarHBondContact O-N 3.35Å; I234-I238 HydrophobicContact CG2-CD1 3.76Å; I234-I238 HydrophobicContact CG2-CG1 4.42Å; I234-I238 WeakPolarHBondContact O-CG1 3.43Å; I234-I238 PolarHBondContact O-N 3.39Å
235P91.5Very high90.5Very high48 Ų4855.4 Ų55.431%0.31228%0.277SS..Hα-helixtrans-63.7-39.3-179.7-25.737.6000112.5V230 I238 I239V230-P235 VanDerWaalsContact O-CD 3.23Å; V230-P235 WeakPolarHBondContact O-CD 3.38Å; P235-I238 PolarHBondContact O-N 2.83Å; P235-I239 WeakPolarHBondContact O-CD1 3.3Å; P235-I239 VanDerWaalsContact O-CG1 3.22Å; P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 3.31Å
236T91.5Very high90.5Very high2 Ų254.7 Ų54.71%0.01228%0.277CS..Hα-helixtrans-64.7-42.117649.60000112.1L232 I233 I234 I238 I239 N240 L274 Y296L232-T236 WeakPolarHBondContact O-CB 3.32Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.47Å; L232-T236 PolarHBondContact O-OG1 2.91Å; I233-T236 WeakPolarHBondContact CA-OG1 3.19Å; I233-T236 PolarHBondContact O-OG1 2.93Å; I234-T236 VanDerWaalsContact C-N 3.35Å; I234-T236 PolarHBondContact O-N 3.16Å; T236-I238 PolarHBondContact O-N 3.05Å; T236-I239 PolarHBondContact O-N 2.98Å; T236-N240 VanDerWaalsContact O-CB 3.26Å; T236-N240 WeakPolarHBondContact O-CB 3.09Å; T236-N240 PolarHBondContact O-N 3.48Å; T236-L274 HydrophobicContact CG2-CD1 3.56Å; T236-Y296 HydrophobicContact CG2-CE1 3.56Å; T236-Y296 WeakPolarHBondContact CG2-OH 3.24Å
237A90.7Very high90.6Very high15 Ų1545.6 Ų45.612%0.12424%0.242CC..Hα-helixtrans-60.1-46174.400000111.3I233 I234 N240 F241 I489I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.12Å; I234-A237 PolarHBondContact O-N 3.35Å; A237-N240 PolarHBondContact O-N 2.77Å; A237-F241 HydrophobicContact CB-CE2 4.44Å; A237-F241 WeakPolarHBondContact O-CD2 3.32Å; A237-F241 PolarHBondContact O-N 2.89Å; A237-I489 HydrophobicContact CB-CD1 4.3Å
238I92.5Very high90.4Very high96 Ų9638.8 Ų38.849%0.49221%0.212SC..Hα-helixtrans-61.4-49.6178-66.5167000111I234 P235 T236 N240 F241 V242I234-I238 HydrophobicContact CG2-CD1 3.76Å; I234-I238 HydrophobicContact CG2-CG1 4.42Å; I234-I238 WeakPolarHBondContact O-CG1 3.43Å; I234-I238 PolarHBondContact O-N 3.39Å; P235-I238 PolarHBondContact O-N 2.83Å; T236-I238 PolarHBondContact O-N 3.05Å; I238-N240 VanDerWaalsContact C-N 3.28Å; I238-N240 PolarHBondContact O-N 3.47Å; I238-F241 PolarHBondContact O-N 2.93Å; I238-V242 HydrophobicContact CG2-CG2 4.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.34Å; I238-V242 PolarHBondContact O-N 3.44Å
239I92.6Very high90.3Very high53 Ų5341.2 Ų41.227%0.27223%0.229SC..Hα-helixtrans-59.2-42.9179-66.5162.8000110.2P235 T236 V242 S243 T270 M271 L274P235-I239 WeakPolarHBondContact O-CD1 3.3Å; P235-I239 VanDerWaalsContact O-CG1 3.22Å; P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 3.31Å; T236-I239 PolarHBondContact O-N 2.98Å; I239-V242 PolarHBondContact O-N 3.27Å; I239-S243 VanDerWaalsContact O-CB 3.32Å; I239-S243 WeakPolarHBondContact O-CB 3.48Å; I239-S243 PolarHBondContact O-N 3.02Å; I239-S243 PolarHBondContact O-OG 3.35Å; I239-T270 HydrophobicContact CD1-CG2 4.12Å; I239-M271 HydrophobicContact CB-CE 3.75Å; I239-M271 HydrophobicContact CG2-CE 3.44Å; I239-M271 VanDerWaalsContact CG2-CE 3.44Å; I239-L274 HydrophobicContact CD1-CD1 4.18Å
240N91.4Very high89.6Confident2 Ų242.3 Ų42.31%0.01124%0.238CC..Hα-helixtrans-61.9-48.7177.2-176.122.1000111.3T236 A237 I238 V242 S243 L244 M271 V299 S485T236-N240 VanDerWaalsContact O-CB 3.26Å; T236-N240 WeakPolarHBondContact O-CB 3.09Å; T236-N240 PolarHBondContact O-N 3.48Å; A237-N240 PolarHBondContact O-N 2.77Å; I238-N240 VanDerWaalsContact C-N 3.28Å; I238-N240 PolarHBondContact O-N 3.47Å; N240-V242 PolarHBondContact O-N 3.02Å; N240-S243 PolarHBondContact O-N 2.86Å; N240-S243 PolarHBondContact O-OG 2.89Å; N240-L244 WeakPolarHBondContact O-CG 3.26Å; N240-L244 PolarHBondContact O-N 3.29Å; N240-M271 HydrophobicContact CB-CE 4.5Å; N240-V299 HydrophobicContact CB-CG1 4.36Å; N240-S485 PolarHBondContact ND2-OG 3.41Å
241F91.2Very high88.5Confident53 Ų5340.2 Ų40.223%0.23223%0.226CC..Hα-helixtrans-58.8-49.1176.2-77.2-62.5000112.6A237 I238 S243 L244 F245 I482 L486 I489A237-F241 HydrophobicContact CB-CE2 4.44Å; A237-F241 WeakPolarHBondContact O-CD2 3.32Å; A237-F241 PolarHBondContact O-N 2.89Å; I238-F241 PolarHBondContact O-N 2.93Å; F241-S243 VanDerWaalsContact C-N 3.26Å; F241-S243 PolarHBondContact O-N 2.9Å; F241-L244 PolarHBondContact O-N 3.23Å; F241-F245 WeakPolarHBondContact O-CD2 3.35Å; F241-F245 PolarHBondContact O-N 3.41Å; F241-I482 HydrophobicContact CE1-CG2 4.4Å; F241-L486 HydrophobicContact CE1-CD2 3.99Å; F241-L486 HydrophobicContact CE1-CG 3.97Å; F241-L486 HydrophobicContact CZ-CD2 3.48Å; F241-L486 VanDerWaalsContact CZ-CD2 3.48Å; F241-L486 HydrophobicContact CZ-CG 3.92Å; F241-I489 HydrophobicContact CE2-CD1 3.87Å; F241-I489 HydrophobicContact CZ-CD1 3.86Å
242V92.4Very high87.1Confident89 Ų8939.5 Ų39.554%0.53923%0.225SC..Hα-helixtrans-58.1-42.1178.1172.20000110.7I238 I239 N240 L244 F245 G246I238-V242 HydrophobicContact CG2-CG2 4.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.34Å; I238-V242 PolarHBondContact O-N 3.44Å; I239-V242 PolarHBondContact O-N 3.27Å; N240-V242 PolarHBondContact O-N 3.02Å; V242-L244 PolarHBondContact O-N 3.48Å; V242-F245 PolarHBondContact O-N 2.98Å; V242-G246 PolarHBondContact O-N 3.23Å
243S92Very high85.5Confident0 Ų043.3 Ų43.30%025%0.25CC..Hα-helixtrans-62.1-42.9177.877.70000112.6I239 N240 F241 G246 I247I239-S243 VanDerWaalsContact O-CB 3.32Å; I239-S243 WeakPolarHBondContact O-CB 3.48Å; I239-S243 PolarHBondContact O-N 3.02Å; I239-S243 PolarHBondContact O-OG 3.35Å; N240-S243 PolarHBondContact O-N 2.86Å; N240-S243 PolarHBondContact O-OG 2.89Å; F241-S243 VanDerWaalsContact C-N 3.26Å; F241-S243 PolarHBondContact O-N 2.9Å; S243-G246 PolarHBondContact O-N 3.44Å; S243-I247 WeakPolarHBondContact O-CB 3.22Å; S243-I247 WeakPolarHBondContact O-CD1 3.31Å; S243-I247 WeakPolarHBondContact O-CG1 3.37Å; S243-I247 PolarHBondContact O-N 2.92Å
244L91.6Very high83.8Confident0 Ų046.9 Ų46.90%027%0.272CS..Hα-helixtrans-66.6-42179.5-68177.7000112N240 F241 V242 F248 L302 A306 F481 I482N240-L244 WeakPolarHBondContact O-CG 3.26Å; N240-L244 PolarHBondContact O-N 3.29Å; F241-L244 PolarHBondContact O-N 3.23Å; V242-L244 PolarHBondContact O-N 3.48Å; L244-F248 HydrophobicContact CD2-CE2 4.28Å; L244-F248 VanDerWaalsContact O-CD2 3.25Å; L244-F248 WeakPolarHBondContact O-CD2 3.35Å; L244-F248 PolarHBondContact O-N 2.92Å; L244-L302 HydrophobicContact CD1-CD2 4.06Å; L244-L302 HydrophobicContact CD2-CD2 3.65Å; L244-L302 HydrophobicContact CG-CD2 4.34Å; L244-A306 HydrophobicContact CD2-CB 4.25Å; L244-F481 HydrophobicContact CD2-CB 4.08Å; L244-F481 HydrophobicContact CD2-CD1 4.35Å; L244-I482 HydrophobicContact CB-CG1 4.39Å; L244-I482 HydrophobicContact CD1-CG1 4.43Å
245F90.5Very high82.4Confident109 Ų10946.1 Ų46.148%0.47829%0.286SS..Hα-helixtrans-64.2-41.1174.8-81.1-71.7000112.2F241 V242 S249 M478 I482F241-F245 WeakPolarHBondContact O-CD2 3.35Å; F241-F245 PolarHBondContact O-N 3.41Å; V242-F245 PolarHBondContact O-N 2.98Å; F245-S249 PolarHBondContact O-N 3.39Å; F245-S249 VanDerWaalsContact O-N 3.07Å; F245-M478 HydrophobicContact CD1-SD 3.81Å; F245-M478 HydrophobicContact CE1-SD 4.03Å; F245-I482 HydrophobicContact CD1-CD1 4.25Å; F245-I482 HydrophobicContact CD2-CD1 4.45Å; F245-I482 HydrophobicContact CE1-CD1 3.67Å; F245-I482 HydrophobicContact CE2-CD1 3.88Å; F245-I482 HydrophobicContact CZ-CD1 3.46Å; F245-I482 VanDerWaalsContact CZ-CD1 3.46Å
246G89Confident81Confident22 Ų2247.8 Ų47.823%0.22729%0.292CS..Hα-helixtrans-72.9-41.3-179.400000113.6V242 S243 F248 S249 L263V242-G246 PolarHBondContact O-N 3.23Å; S243-G246 PolarHBondContact O-N 3.44Å; G246-F248 VanDerWaalsContact C-N 3.3Å; G246-F248 PolarHBondContact O-N 3.11Å; G246-S249 WeakPolarHBondContact O-CB 3.28Å; G246-S249 PolarHBondContact O-N 3.49Å; G246-L263 VanDerWaalsContact CA-CD2 3.43Å
247I89.9Confident79.9Confident1 Ų150.4 Ų50.41%0.00530%0.302CS..Hα-helixtrans-63.1-37.1179-69164.3000111.3S243 L263 I303 A306 T307 S310S243-I247 WeakPolarHBondContact O-CB 3.22Å; S243-I247 WeakPolarHBondContact O-CD1 3.31Å; S243-I247 WeakPolarHBondContact O-CG1 3.37Å; S243-I247 PolarHBondContact O-N 2.92Å; I247-L263 HydrophobicContact CG1-CD2 4.49Å; I247-I303 HydrophobicContact CD1-CG2 4.5Å; I247-A306 HydrophobicContact CD1-CB 4.47Å; I247-A306 HydrophobicContact CG2-CB 4.45Å; I247-T307 HydrophobicContact CD1-CG2 3.95Å; I247-S310 PolarHBondContact O-OG 2.69Å
248F87.7Confident79Confident1 Ų155 Ų550%0.00433%0.329CS..THydrogen-bonded Turntrans-99.813.3179.4-61.5-61.1000114.4L244 G246 A306 L477 M478 F481L244-F248 HydrophobicContact CD2-CE2 4.28Å; L244-F248 VanDerWaalsContact O-CD2 3.25Å; L244-F248 WeakPolarHBondContact O-CD2 3.35Å; L244-F248 PolarHBondContact O-N 2.92Å; G246-F248 VanDerWaalsContact C-N 3.3Å; G246-F248 PolarHBondContact O-N 3.11Å; F248-A306 HydrophobicContact CE2-CB 4.11Å; F248-A306 HydrophobicContact CZ-CB 3.9Å; F248-L477 HydrophobicContact CD1-CB 3.83Å; F248-L477 HydrophobicContact CE1-CB 3.45Å; F248-L477 VanDerWaalsContact CE1-CB 3.45Å; F248-L477 HydrophobicContact CE1-CD1 3.9Å; F248-L477 HydrophobicContact CE1-CG 4.32Å; F248-L477 HydrophobicContact CZ-CB 3.84Å; F248-M478 HydrophobicContact CB-CB 3.65Å; F248-M478 HydrophobicContact CB-CG 4Å; F248-M478 HydrophobicContact CD2-CB 4.08Å; F248-M478 HydrophobicContact CD2-CG 4.43Å; F248-M478 HydrophobicContact CG-CB 4.04Å; F248-F481 HydrophobicContact CE2-CB 3.74Å; F248-F481 HydrophobicContact CE2-CD1 4.38Å; F248-F481 AromaticContact CE2-CD2 3.88Å; F248-F481 HydrophobicContact CE2-CD2 3.88Å; F248-F481 AromaticContact CE2-CG 3.75Å; F248-F481 HydrophobicContact CE2-CG 3.75Å; F248-F481 HydrophobicContact CZ-CB 4.39Å; F248-F481 HydrophobicContact CZ-CD1 4.46Å; F248-F481 AromaticContact CZ-CD2 3.66Å; F248-F481 HydrophobicContact CZ-CD2 3.66Å; F248-F481 AromaticContact CZ-CE2 3.91Å; F248-F481 HydrophobicContact CZ-CE2 3.91Å; F248-F481 AromaticContact CZ-CG 3.92Å; F248-F481 HydrophobicContact CZ-CG 3.92Å; F248-F481 HydrophobicContact CZ-CZ 4.39Å
249S85.1Confident78.6Confident57 Ų5756.6 Ų56.640%0.39933%0.334SS..SBendtrans-59.1138.1172.8-1790000110.1F245 G246 T251 K260F245-S249 PolarHBondContact O-N 3.39Å; F245-S249 VanDerWaalsContact O-N 3.07Å; G246-S249 WeakPolarHBondContact O-CB 3.28Å; G246-S249 PolarHBondContact O-N 3.49Å; S249-T251 PolarHBondContact O-N 3.33Å; S249-K260 WeakPolarHBondContact O-CE 3.35Å; S249-K260 PolarHBondContact O-NZ 2.83Å
250P75.1Confident78.3Confident59 Ų5954.7 Ų54.738%0.38332%0.324SS..PPolyproline II helixtrans-59.8124.6179.724.7-33.7000111.3T252 T471 E474P250-T252 PolarHBondContact O-N 2.88Å; P250-T471 HydrophobicContact CB-CG2 4.12Å; P250-E474 WeakPolarHBondContact CA-OE2 3.49Å
251T67.5Low78Confident13 Ų1357.3 Ų57.38%0.0834%0.337CS..PPolyproline II helixtrans-65123.3171.449.70000109.2S249 K260 Q317 E474S249-T251 PolarHBondContact O-N 3.33Å; T251-K260 HydrophobicContact CG2-CD 4.06Å; T251-K260 VanDerWaalsContact CG2-CE 3.45Å; T251-Q317 PolarHBondContact OG1-NE2 2.91Å; T251-Q317 PolarHBondContact OG1-OE1 3.37Å; T251-E474 PolarHBondContact N-OE2 3.34Å
252T59.2Low77.9Confident79 Ų7959.5 Ų59.549%0.48535%0.351SS..PPolyproline II helixtrans-81.2152.5156.669.10000108.4P250 T254P250-T252 PolarHBondContact O-N 2.88Å; T252-T254 PolarHBondContact O-N 2.91Å; T252-T254 PolarHBondContact OG1-OG1 3.5Å
253T55.9Low77.9Confident107 Ų10757.8 Ų57.866%0.65634%0.338SS*.SBendtrans-70.55.9-172.753.30000114.1D467T253-D467 WeakPolarHBondContact CG2-OD2 3.46Å
254T54.5Low77.8Confident92 Ų9257.8 Ų57.856%0.56434%0.338SS*.SBendtrans-113.1103.6-173.550.20000109.9T252 D256T252-T254 PolarHBondContact O-N 2.91Å; T252-T254 PolarHBondContact OG1-OG1 3.5Å; T254-D256 VanDerWaalsContact O-CG 3.26Å; T254-D256 PolarHBondContact O-N 3.28Å
255G58.9Low77.8Confident70 Ų7062.6 Ų62.672%0.72236%0.363SS*.SBendtrans73.1-33.1159.900000118.9R257G255-R257 VanDerWaalsContact C-N 3.31Å; G255-R257 PolarHBondContact O-N 2.99Å; G255-R257 VanDerWaalsContact O-N 3.13Å
256D62.7Low78Confident83 Ų8360.1 Ų60.144%0.44436%0.357SS..THydrogen-bonded Turntrans-89.916.3-156.1-54.9-23.7000114.9T254 T258 E259T254-D256 VanDerWaalsContact O-CG 3.26Å; T254-D256 PolarHBondContact O-N 3.28Å; D256-T258 VanDerWaalsContact C-N 3.3Å; D256-T258 PolarHBondContact O-N 3.42Å; D256-E259 PolarHBondContact O-N 3.43Å
257R67.1Low78.1Confident58 Ų5859.5 Ų59.522%0.21935%0.349CS..Hα-helixtrans-67.7-29.3-174.5-63.5174.672.483.61.7113.1G255 I314G255-R257 VanDerWaalsContact C-N 3.31Å; G255-R257 PolarHBondContact O-N 2.99Å; G255-R257 VanDerWaalsContact O-N 3.13Å; R257-I314 VanDerWaalsContact NH2-C 3.3Å; R257-I314 PolarHBondContact NH2-O 3.04Å
258T73.5Confident78.3Confident112 Ų11261.2 Ų61.269%0.68736%0.358SS*.Hα-helixtrans-81.8-22.3-177.451.50000113.1D256 K260 N262D256-T258 VanDerWaalsContact C-N 3.3Å; D256-T258 PolarHBondContact O-N 3.42Å; T258-K260 PolarHBondContact O-N 2.84Å; T258-N262 PolarHBondContact O-N 2.89Å
259E83Confident78.6Confident128 Ų12866.3 Ų66.360%0.59839%0.385SS*.Hα-helixtrans-66.1-37.4-176.2-168.9-179173.300112.1D256 N262 L263D256-E259 PolarHBondContact O-N 3.43Å; E259-N262 PolarHBondContact O-N 3.33Å; E259-L263 WeakPolarHBondContact O-CB 3.25Å; E259-L263 PolarHBondContact O-N 2.89Å
260K85.4Confident79Confident14 Ų1466 Ų666%0.06138%0.38CS..Hα-helixtrans-61.4-47.3180-64.9-179.3170.2-167.40113.5S249 T251 T258 N262 L263 G264 E474S249-K260 WeakPolarHBondContact O-CE 3.35Å; S249-K260 PolarHBondContact O-NZ 2.83Å; T251-K260 HydrophobicContact CG2-CD 4.06Å; T251-K260 VanDerWaalsContact CG2-CE 3.45Å; T258-K260 PolarHBondContact O-N 2.84Å; K260-N262 VanDerWaalsContact C-N 3.34Å; K260-L263 PolarHBondContact O-N 3.49Å; K260-G264 PolarHBondContact O-N 2.84Å; K260-E474 IonicContact NZ-OE1 2.61Å; K260-E474 PolarHBondContact NZ-OE1 3.46Å; K260-E474 IonicContact NZ-OE2 3.22Å; K260-E474 PolarHBondContact NZ-OE2 3.34Å
261I86.3Confident79.7Confident57 Ų5763.2 Ų63.229%0.29236%0.362SS..Hα-helixtrans-67.8-41.7-179.6-62.2175.4000109.1L263 G264 I265 I314I261-L263 PolarHBondContact O-N 2.95Å; I261-G264 PolarHBondContact O-N 3.48Å; I261-I265 HydrophobicContact CG2-CD1 3.81Å; I261-I265 HydrophobicContact CG2-CG1 4.39Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.25Å; I261-I314 HydrophobicContact CD1-CD1 3.82Å; I261-I314 HydrophobicContact CG1-CD1 3.89Å
262N89.4Confident80.8Confident99 Ų9965.3 Ų65.353%0.52938%0.377SS..Hα-helixtrans-60.9-45.3176.2-169.938.6000111.7T258 E259 K260 G264 I265 T266T258-N262 PolarHBondContact O-N 2.89Å; E259-N262 PolarHBondContact O-N 3.33Å; K260-N262 VanDerWaalsContact C-N 3.34Å; N262-G264 VanDerWaalsContact C-N 3.29Å; N262-G264 PolarHBondContact O-N 3.32Å; N262-I265 PolarHBondContact O-N 3.43Å; N262-T266 WeakPolarHBondContact O-CB 3.26Å; N262-T266 WeakPolarHBondContact O-CG2 3.19Å; N262-T266 PolarHBondContact O-N 2.91Å; N262-T266 PolarHBondContact O-OG1 3.19Å
263L91.3Very high82.4Confident52 Ų5266.3 Ų66.327%0.27238%0.379SS..Hα-helixtrans-56.9-44.7174.1-177.867.1000111.4G246 I247 E259 K260 I261 T266 T267G246-L263 VanDerWaalsContact CA-CD2 3.43Å; I247-L263 HydrophobicContact CG1-CD2 4.49Å; E259-L263 WeakPolarHBondContact O-CB 3.25Å; E259-L263 PolarHBondContact O-N 2.89Å; K260-L263 PolarHBondContact O-N 3.49Å; I261-L263 PolarHBondContact O-N 2.95Å; L263-T266 WeakPolarHBondContact CA-OG1 3.24Å; L263-T266 PolarHBondContact O-N 3.23Å; L263-T266 PolarHBondContact O-OG1 3.49Å; L263-T267 HydrophobicContact CD1-CG2 4.27Å; L263-T267 HydrophobicContact CG-CG2 4.45Å; L263-T267 WeakPolarHBondContact O-CG2 3.49Å; L263-T267 PolarHBondContact O-N 2.96Å; L263-T267 PolarHBondContact O-OG1 2.7Å
264G90.4Very high84Confident0 Ų063.1 Ų63.10%036%0.358CS..Hα-helixtrans-60.8-42.6175.900000115.5K260 I261 N262 T267 L268K260-G264 PolarHBondContact O-N 2.84Å; I261-G264 PolarHBondContact O-N 3.48Å; N262-G264 VanDerWaalsContact C-N 3.29Å; N262-G264 PolarHBondContact O-N 3.32Å; G264-T267 PolarHBondContact O-OG1 2.95Å; G264-L268 WeakPolarHBondContact O-CG 3.02Å; G264-L268 PolarHBondContact O-N 3.48Å
265I91.8Very high85.6Confident101 Ų10161.7 Ų61.752%0.51835%0.346SS..Hα-helixtrans-70.4-42.8178.4-66.4168.6000110.6I261 N262 T267 L268 L269I261-I265 HydrophobicContact CG2-CD1 3.81Å; I261-I265 HydrophobicContact CG2-CG1 4.39Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.25Å; N262-I265 PolarHBondContact O-N 3.43Å; I265-T267 VanDerWaalsContact C-N 3.3Å; I265-T267 PolarHBondContact O-N 3.01Å; I265-L268 PolarHBondContact O-N 3.14Å; I265-L269 PolarHBondContact O-N 3.46Å
266T93.5Very high87Confident58 Ų5863.4 Ų63.436%0.35634%0.338SS..Hα-helixtrans-63.7-35.2178.857.80000112.3N262 L263 L269 T270N262-T266 WeakPolarHBondContact O-CB 3.26Å; N262-T266 WeakPolarHBondContact O-CG2 3.19Å; N262-T266 PolarHBondContact O-N 2.91Å; N262-T266 PolarHBondContact O-OG1 3.19Å; L263-T266 WeakPolarHBondContact CA-OG1 3.24Å; L263-T266 PolarHBondContact O-N 3.23Å; L263-T266 PolarHBondContact O-OG1 3.49Å; T266-L269 PolarHBondContact O-N 3.44Å; T266-T270 WeakPolarHBondContact O-CB 3.4Å; T266-T270 PolarHBondContact O-N 3Å; T266-T270 PolarHBondContact O-OG1 2.95Å
267T92.6Very high88.3Confident8 Ų865.3 Ų65.35%0.04935%0.346CS..Hα-helixtrans-72-37.9176.960.40000111.5L263 G264 I265 T270 M271 I303L263-T267 HydrophobicContact CD1-CG2 4.27Å; L263-T267 HydrophobicContact CG-CG2 4.45Å; L263-T267 WeakPolarHBondContact O-CG2 3.49Å; L263-T267 PolarHBondContact O-N 2.96Å; L263-T267 PolarHBondContact O-OG1 2.7Å; G264-T267 PolarHBondContact O-OG1 2.95Å; I265-T267 VanDerWaalsContact C-N 3.3Å; I265-T267 PolarHBondContact O-N 3.01Å; T267-T270 PolarHBondContact O-N 3.03Å; T267-M271 VanDerWaalsContact O-CG 3.26Å; T267-M271 WeakPolarHBondContact O-CG 3.34Å; T267-M271 PolarHBondContact O-N 3.3Å; T267-I303 WeakPolarHBondContact OG1-CG2 3.37Å
268L92.8Very high89.2Confident38 Ų3863.1 Ų63.120%0.19934%0.339CS..Hα-helixtrans-59.1-47.6171.1-73171.7000111.7G264 I265 T270 M271 S272 I300 I303 S304G264-L268 WeakPolarHBondContact O-CG 3.02Å; G264-L268 PolarHBondContact O-N 3.48Å; I265-L268 PolarHBondContact O-N 3.14Å; L268-T270 VanDerWaalsContact C-N 3.32Å; L268-T270 PolarHBondContact O-N 3.39Å; L268-M271 PolarHBondContact O-N 2.87Å; L268-S272 PolarHBondContact O-N 3.34Å; L268-S272 PolarHBondContact O-OG 3.11Å; L268-I300 HydrophobicContact CD2-CG2 4.25Å; L268-I303 HydrophobicContact CD2-CB 3.85Å; L268-I303 HydrophobicContact CD2-CG2 3.65Å; L268-I303 HydrophobicContact CG-CB 4.45Å; L268-I303 HydrophobicContact CG-CG2 3.69Å; L268-S304 WeakPolarHBondContact CD2-OG 3.39Å
269L94.1Very high89.7Confident108 Ų10861.1 Ų61.157%0.56533%0.329SS*.Hα-helixtrans-60.9-42.7177.1-179.1139.1000111.6I265 T266 M271 S272 I273I265-L269 PolarHBondContact O-N 3.46Å; T266-L269 PolarHBondContact O-N 3.44Å; L269-M271 PolarHBondContact O-N 3.32Å; L269-S272 PolarHBondContact O-N 3.26Å; L269-I273 HydrophobicContact CD2-CD1 3.59Å; L269-I273 HydrophobicContact CG-CD1 4.33Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 2.96Å
270T93.4Very high89.9Confident49 Ų4960.7 Ų60.730%0.30133%0.327SS..Hα-helixtrans-61.4-43.9176.1-56.70000111.3I239 T266 T267 L268 S272 I273 L274I239-T270 HydrophobicContact CD1-CG2 4.12Å; T266-T270 WeakPolarHBondContact O-CB 3.4Å; T266-T270 PolarHBondContact O-N 3Å; T266-T270 PolarHBondContact O-OG1 2.95Å; T267-T270 PolarHBondContact O-N 3.03Å; L268-T270 VanDerWaalsContact C-N 3.32Å; L268-T270 PolarHBondContact O-N 3.39Å; T270-S272 VanDerWaalsContact C-N 3.35Å; T270-S272 PolarHBondContact O-N 3.47Å; T270-I273 PolarHBondContact O-N 3.37Å; T270-L274 HydrophobicContact CG2-CD1 4.22Å; T270-L274 WeakPolarHBondContact O-CG 3.43Å; T270-L274 PolarHBondContact O-N 3.23Å
271M90.6Very high89.7Confident1 Ų166.1 Ų66.11%0.00535%0.353CS..Hα-helixtrans-65.2-37176.9-68.2-61.9155.500112.3I239 N240 T267 L268 L269 L274 L275 Y296 V299 I300 I303I239-M271 HydrophobicContact CB-CE 3.75Å; I239-M271 HydrophobicContact CG2-CE 3.44Å; I239-M271 VanDerWaalsContact CG2-CE 3.44Å; N240-M271 HydrophobicContact CB-CE 4.5Å; T267-M271 VanDerWaalsContact O-CG 3.26Å; T267-M271 WeakPolarHBondContact O-CG 3.34Å; T267-M271 PolarHBondContact O-N 3.3Å; L268-M271 PolarHBondContact O-N 2.87Å; L269-M271 PolarHBondContact O-N 3.32Å; M271-L274 PolarHBondContact O-N 3.07Å; M271-L274 HydrophobicContact SD-CD1 4.47Å; M271-L275 WeakPolarHBondContact O-CB 3.46Å; M271-L275 PolarHBondContact O-N 2.95Å; M271-Y296 HydrophobicContact SD-CD1 4.49Å; M271-Y296 HydrophobicContact SD-CE1 4.49Å; M271-V299 HydrophobicContact CE-CG1 4.41Å; M271-V299 HydrophobicContact CG-CG1 4.18Å; M271-V299 HydrophobicContact SD-CG1 3.96Å; M271-I300 HydrophobicContact CB-CG1 4Å; M271-I303 HydrophobicContact CG-CD1 3.99Å
272S90.4Very high89.6Confident57 Ų5764.3 Ų64.340%0.39934%0.344SS..Hα-helixtrans-63.6-41.4172.9-60.60000112.2L268 L269 T270 L275 L276L268-S272 PolarHBondContact O-N 3.34Å; L268-S272 PolarHBondContact O-OG 3.11Å; L269-S272 PolarHBondContact O-N 3.26Å; T270-S272 VanDerWaalsContact C-N 3.35Å; T270-S272 PolarHBondContact O-N 3.47Å; S272-L275 PolarHBondContact O-N 2.77Å; S272-L276 WeakPolarHBondContact O-CG 3.33Å; S272-L276 PolarHBondContact O-N 3.07Å
273I92.2Very high89.4Confident100 Ų10060.1 Ų60.151%0.51332%0.321SS..Hα-helixtrans-64.2-44.2176.4-68.4169.1000111L269 T270 L275 L276 M277L269-I273 HydrophobicContact CD2-CD1 3.59Å; L269-I273 HydrophobicContact CG-CD1 4.33Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 2.96Å; T270-I273 PolarHBondContact O-N 3.37Å; I273-L275 VanDerWaalsContact C-N 3.35Å; I273-L275 PolarHBondContact O-N 3.32Å; I273-L276 WeakPolarHBondContact O-CB 3.44Å; I273-L276 PolarHBondContact O-N 2.94Å; I273-M277 PolarHBondContact O-N 2.9Å
274L90.1Very high88.8Confident41 Ų4164.1 Ų64.122%0.21535%0.348CS..Hα-helixtrans-64.5-39.7178.3-68.4173.4000111.8T236 I239 T270 M271 L276 M277 V278 Y296T236-L274 HydrophobicContact CG2-CD1 3.56Å; I239-L274 HydrophobicContact CD1-CD1 4.18Å; T270-L274 HydrophobicContact CG2-CD1 4.22Å; T270-L274 WeakPolarHBondContact O-CG 3.43Å; T270-L274 PolarHBondContact O-N 3.23Å; M271-L274 PolarHBondContact O-N 3.07Å; M271-L274 HydrophobicContact SD-CD1 4.47Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.33Å; L274-M277 PolarHBondContact O-N 2.81Å; L274-V278 WeakPolarHBondContact O-CG2 3.11Å; L274-V278 PolarHBondContact O-N 3.27Å; L274-V278 VanDerWaalsContact O-N 3.11Å; L274-Y296 HydrophobicContact CB-CE1 3.78Å
275L88.3Confident88.2Confident61 Ų6165.7 Ų65.732%0.31936%0.358SS..Hα-helixtrans-61-41.8172.6177.762.1000111.9M271 S272 I273 V278 S279 Y296 I300M271-L275 WeakPolarHBondContact O-CB 3.46Å; M271-L275 PolarHBondContact O-N 2.95Å; S272-L275 PolarHBondContact O-N 2.77Å; I273-L275 VanDerWaalsContact C-N 3.35Å; I273-L275 PolarHBondContact O-N 3.32Å; L275-V278 PolarHBondContact O-N 2.7Å; L275-S279 WeakPolarHBondContact O-CB 3.42Å; L275-S279 PolarHBondContact O-N 3.08Å; L275-Y296 HydrophobicContact CB-CG 4.32Å; L275-Y296 HydrophobicContact CD1-CD2 4.02Å; L275-Y296 HydrophobicContact CD1-CG 4.16Å; L275-I300 HydrophobicContact CD2-CD1 4.31Å
276L89.1Confident87.6Confident107 Ų10766.5 Ų66.556%0.5637%0.373SS*.Hα-helixtrans-63.8-42.2176.8-73171.8000112S272 I273 L274 V278 S279 Q280S272-L276 WeakPolarHBondContact O-CG 3.33Å; S272-L276 PolarHBondContact O-N 3.07Å; I273-L276 WeakPolarHBondContact O-CB 3.44Å; I273-L276 PolarHBondContact O-N 2.94Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.33Å; L276-V278 VanDerWaalsContact C-N 3.3Å; L276-V278 PolarHBondContact O-N 3.39Å; L276-S279 PolarHBondContact O-N 2.93Å; L276-Q280 WeakPolarHBondContact O-CG 3.08Å; L276-Q280 PolarHBondContact O-N 3.23Å
277M88.6Confident87Confident123 Ų12368.7 Ų68.761%0.60638%0.382SS*.Hα-helixtrans-57.7-44.6175.5-177.4-178.6178.400111.1I273 L274 Q280I273-M277 PolarHBondContact O-N 2.9Å; L274-M277 PolarHBondContact O-N 2.81Å; M277-Q280 PolarHBondContact O-N 3.49Å
278V86.5Confident86.4Confident11 Ų1170.4 Ų70.47%0.06739%0.389CS..Hα-helixtrans-69.3-38.5178.2176.90000112.1L232 L274 L275 L276 Q280 E281 M282 I292 Y296L232-V278 HydrophobicContact CD1-CG2 3.34Å; L232-V278 HydrophobicContact CD2-CG2 4.26Å; L232-V278 HydrophobicContact CG-CG2 3.86Å; L274-V278 WeakPolarHBondContact O-CG2 3.11Å; L274-V278 PolarHBondContact O-N 3.27Å; L274-V278 VanDerWaalsContact O-N 3.11Å; L275-V278 PolarHBondContact O-N 2.7Å; L276-V278 VanDerWaalsContact C-N 3.3Å; L276-V278 PolarHBondContact O-N 3.39Å; V278-Q280 PolarHBondContact O-N 3.41Å; V278-E281 PolarHBondContact O-N 3.34Å; V278-M282 HydrophobicContact CG1-CE 3.3Å; V278-M282 HydrophobicContact CG1-SD 3.88Å; V278-M282 WeakPolarHBondContact O-CG 3.26Å; V278-M282 PolarHBondContact O-N 3.11Å; V278-I292 HydrophobicContact CG1-CG1 4.35Å; V278-I292 HydrophobicContact CG1-CG2 4.29Å; V278-Y296 HydrophobicContact CB-CE2 4.43Å; V278-Y296 HydrophobicContact CG2-CE2 3.92Å
279S84.6Confident85.8Confident70 Ų7073.2 Ų73.249%0.4940%0.403SS..Hα-helixtrans-66.2-23177.7-177.60000113.3L275 L276 E281L275-S279 WeakPolarHBondContact O-CB 3.42Å; L275-S279 PolarHBondContact O-N 3.08Å; L276-S279 PolarHBondContact O-N 2.93Å; S279-E281 VanDerWaalsContact C-N 3.34Å
280Q86.3Confident85.4Confident119 Ų11969 Ų6956%0.55638%0.382SS*.Hα-helixtrans-74.7-25.5178.8-77.3175.2-1100113.1L276 M277 V278L276-Q280 WeakPolarHBondContact O-CG 3.08Å; L276-Q280 PolarHBondContact O-N 3.23Å; M277-Q280 PolarHBondContact O-N 3.49Å; V278-Q280 PolarHBondContact O-N 3.41Å
281E82.2Confident84.9Confident128 Ų12868.7 Ų68.760%0.59838%0.377SS*.Hα-helixtrans-89.9-20.6179.6-58.2-57.715500112.7V278 S279V278-E281 PolarHBondContact O-N 3.34Å; S279-E281 VanDerWaalsContact C-N 3.34Å
282M83.7Confident84.7Confident20 Ų2069 Ų6910%0.09938%0.379CS..SBendtrans-87.2149.1-176.8-69.9178.3-178.800112.8I147 Y150 V278 P290 I292I147-M282 HydrophobicContact CD1-CB 3.77Å; I147-M282 HydrophobicContact CD1-CG 3.81Å; I147-M282 HydrophobicContact CD1-SD 3.91Å; Y150-M282 HydrophobicContact CD1-CE 3.53Å; Y150-M282 HydrophobicContact CD2-CE 4.39Å; Y150-M282 HydrophobicContact CE1-CE 3.81Å; Y150-M282 HydrophobicContact CG-CE 3.84Å; V278-M282 HydrophobicContact CG1-CE 3.3Å; V278-M282 HydrophobicContact CG1-SD 3.88Å; V278-M282 WeakPolarHBondContact O-CG 3.26Å; V278-M282 PolarHBondContact O-N 3.11Å; M282-P290 HydrophobicContact SD-CB 4.47Å; M282-P290 HydrophobicContact SD-CG 3.84Å; M282-I292 HydrophobicContact CE-CG2 3.39Å; M282-I292 HydrophobicContact SD-CG2 4.11Å
283P84.6Confident84.5Confident10 Ų1067 Ų677%0.06537%0.367CS..  trans-59.5142.9168.323.4-31.9000110.9E41 Q44 I147 T285E41-P283 WeakPolarHBondContact O-CB 3.41Å; Q44-P283 HydrophobicContact CG-CB 4.19Å; I147-P283 HydrophobicContact CD1-CG 3.93Å; I147-P283 HydrophobicContact CG1-CG 3.98Å; I147-P283 HydrophobicContact CG2-CG 4.42Å; P283-T285 HydrophobicContact CB-CG2 4.07Å; P283-T285 PolarHBondContact O-N 3.33Å
284T78.8Confident84.3Confident136 Ų13668 Ų6883%0.83436%0.364SS*.  trans-78.744.9175.257.10000111.7
285T78.8Confident84.2Confident34 Ų3466.2 Ų66.221%0.20936%0.355CS..  trans-84.4135.7178.346.20000110.6Y144 P283Y144-T285 HydrophobicContact CE2-CG2 4.44Å; P283-T285 HydrophobicContact CB-CG2 4.07Å; P283-T285 PolarHBondContact O-N 3.33Å
286S79.1Confident84.3Confident118 Ų11863.3 Ų63.383%0.82534%0.34SS*.  trans-95.23.1177.554.30000114.1F288S286-F288 VanDerWaalsContact C-N 3.3Å; S286-F288 PolarHBondContact O-N 3.06Å
287D79.5Confident84.3Confident104 Ų10461.9 Ų61.956%0.55633%0.332SS*.SBendtrans-68.5-31.2-172.3-61.3-32.2000112.4Y144Y144-D287 PolarHBondContact OH-OD2 3.17Å
288F80.1Confident84.4Confident43 Ų4357.8 Ų57.819%0.18932%0.315CS..  trans-157.8155.7177.856.1-90.7000111.1N146 I147 L148 S286N146-F288 WeakPolarHBondContact OD1-CZ 3.31Å; I147-F288 HydrophobicContact CB-CE2 4.47Å; I147-F288 HydrophobicContact CG1-CE2 3.73Å; I147-F288 HydrophobicContact CG1-CZ 3.87Å; L148-F288 VanDerWaalsContact CA-CE2 3.44Å; L148-F288 HydrophobicContact CB-CD2 3.81Å; L148-F288 HydrophobicContact CB-CE2 3.8Å; L148-F288 HydrophobicContact CB-CG 4.47Å; L148-F288 HydrophobicContact CB-CZ 4.46Å; L148-F288 HydrophobicContact CD1-CB 4.2Å; L148-F288 HydrophobicContact CD1-CD2 3.76Å; L148-F288 HydrophobicContact CD1-CG 4.2Å; L148-F288 HydrophobicContact CG-CD2 4.39Å; S286-F288 VanDerWaalsContact C-N 3.3Å; S286-F288 PolarHBondContact O-N 3.06Å
289I81.5Confident84.6Confident97 Ų9757.3 Ų57.350%0.49731%0.313SS..  trans-93123.1172-60.2166.8000107.5W294I289-W294 HydrophobicContact CD1-CZ2 4.28Å; I289-W294 HydrophobicContact CG2-CG 4.49Å
290P85Confident85Confident20 Ų2055.7 Ų55.713%0.1330%0.298CS..  trans-65.9151-178.329.7-36.4000111I147 M282 I292 G293 W294I147-P290 HydrophobicContact CD1-CB 4.26Å; I147-P290 HydrophobicContact CD1-CG 4.27Å; I147-P290 WeakPolarHBondContact O-CB 3.44Å; M282-P290 HydrophobicContact SD-CB 4.47Å; M282-P290 HydrophobicContact SD-CG 3.84Å; P290-I292 HydrophobicContact CB-CG2 3.95Å; P290-I292 HydrophobicContact CG-CG2 4.01Å; P290-I292 PolarHBondContact O-N 3.46Å; P290-I292 VanDerWaalsContact O-N 3.14Å; P290-G293 WeakPolarHBondContact O-CA 3.47Å; P290-G293 PolarHBondContact O-N 3.1Å; P290-W294 PolarHBondContact O-N 3.37Å
291F83.5Confident85.3Confident42 Ų4255 Ų5518%0.18430%0.297CS..Hα-helixtrans-57.5-31.8-179-87.5-70.1000113.2L148 Y149 G293 W294 F295 I492 Y495L148-F291 HydrophobicContact CD1-CD2 4.33Å; L148-F291 HydrophobicContact CD1-CE2 4.09Å; L148-F291 HydrophobicContact CG-CD2 4.26Å; L148-F291 HydrophobicContact CG-CE2 4.02Å; L148-F291 WeakPolarHBondContact O-CD2 3.32Å; L148-F291 PolarHBondContact O-N 3.24Å; Y149-F291 AromaticContact CD1-CD2 3.64Å; Y149-F291 HydrophobicContact CD1-CD2 3.64Å; Y149-F291 AromaticContact CD1-CE2 3.63Å; Y149-F291 HydrophobicContact CD1-CE2 3.63Å; Y149-F291 AromaticContact CE1-CD2 3.97Å; Y149-F291 HydrophobicContact CE1-CD2 3.97Å; Y149-F291 AromaticContact CE1-CE2 3.44Å; Y149-F291 HydrophobicContact CE1-CE2 3.44Å; Y149-F291 VanDerWaalsContact CE1-CE2 3.44Å; Y149-F291 HydrophobicContact CE1-CZ 4.41Å; F291-G293 VanDerWaalsContact C-N 3.3Å; F291-G293 PolarHBondContact O-N 3.4Å; F291-W294 WeakPolarHBondContact O-CB 3.39Å; F291-W294 PolarHBondContact O-N 3.26Å; F291-F295 PolarHBondContact O-N 3.41Å; F291-I492 HydrophobicContact CB-CG2 4.49Å; F291-Y495 HydrophobicContact CD1-CD1 4.22Å; F291-Y495 HydrophobicContact CD2-CD1 4.48Å; F291-Y495 HydrophobicContact CD2-CE1 4.45Å; F291-Y495 AromaticContact CE1-CD1 3.67Å; F291-Y495 HydrophobicContact CE1-CD1 3.67Å; F291-Y495 AromaticContact CE1-CE1 3.64Å; F291-Y495 HydrophobicContact CE1-CE1 3.64Å; F291-Y495 AromaticContact CE2-CD1 4Å; F291-Y495 HydrophobicContact CE2-CD1 4Å; F291-Y495 AromaticContact CE2-CE1 3.56Å; F291-Y495 HydrophobicContact CE2-CE1 3.56Å; F291-Y495 AromaticContact CZ-CD1 3.59Å; F291-Y495 HydrophobicContact CZ-CD1 3.59Å; F291-Y495 AromaticContact CZ-CE1 3.1Å; F291-Y495 HydrophobicContact CZ-CE1 3.1Å
292I85.4Confident85.8Confident8 Ų849.7 Ų49.74%0.04127%0.273CS..Hα-helixtrans-64.7-32.6172.8-166.362.6000112.9Y150 L232 I233 V278 M282 P290 F295 Y296Y150-I292 HydrophobicContact CD1-CB 4.14Å; Y150-I292 HydrophobicContact CD1-CG1 4.4Å; Y150-I292 HydrophobicContact CD1-CG2 3.92Å; L232-I292 HydrophobicContact CD2-CD1 3.67Å; L232-I292 HydrophobicContact CD2-CG1 4.16Å; I233-I292 HydrophobicContact CG1-CD1 4.37Å; V278-I292 HydrophobicContact CG1-CG1 4.35Å; V278-I292 HydrophobicContact CG1-CG2 4.29Å; M282-I292 HydrophobicContact CE-CG2 3.39Å; M282-I292 HydrophobicContact SD-CG2 4.11Å; P290-I292 HydrophobicContact CB-CG2 3.95Å; P290-I292 HydrophobicContact CG-CG2 4.01Å; P290-I292 PolarHBondContact O-N 3.46Å; P290-I292 VanDerWaalsContact O-N 3.14Å; I292-F295 HydrophobicContact CD1-CB 4.49Å; I292-F295 HydrophobicContact CD1-CD1 4.01Å; I292-F295 WeakPolarHBondContact O-CB 3.24Å; I292-F295 PolarHBondContact O-N 2.87Å; I292-Y296 HydrophobicContact CD1-CE2 4.16Å; I292-Y296 HydrophobicContact CG1-CD2 4.2Å; I292-Y296 HydrophobicContact CG1-CE2 3.92Å; I292-Y296 VanDerWaalsContact O-CD2 3.22Å; I292-Y296 WeakPolarHBondContact O-CD2 3.33Å; I292-Y296 PolarHBondContact O-N 3.35Å; I292-Y296 VanDerWaalsContact O-N 3.1Å
293G86.9Confident86.2Confident15 Ų1548.7 Ų48.716%0.15527%0.268CS..Hα-helixtrans-66.1-42.8171.800000111.5P290 F291 F295 Y296 L297P290-G293 WeakPolarHBondContact O-CA 3.47Å; P290-G293 PolarHBondContact O-N 3.1Å; F291-G293 VanDerWaalsContact C-N 3.3Å; F291-G293 PolarHBondContact O-N 3.4Å; G293-F295 VanDerWaalsContact C-N 3.29Å; G293-F295 PolarHBondContact O-N 2.9Å; G293-Y296 PolarHBondContact O-N 3.31Å; G293-L297 VanDerWaalsContact O-CB 3.31Å; G293-L297 WeakPolarHBondContact O-CB 3.17Å; G293-L297 PolarHBondContact O-N 2.88Å
294W87.1Confident86.6Confident120 Ų12050.1 Ų50.146%0.45528%0.278SS..Hα-helixtrans-61.9-35.4173.1-77105.7000113.1I289 P290 F291 L297 S298I289-W294 HydrophobicContact CD1-CZ2 4.28Å; I289-W294 HydrophobicContact CG2-CG 4.49Å; P290-W294 PolarHBondContact O-N 3.37Å; F291-W294 WeakPolarHBondContact O-CB 3.39Å; F291-W294 PolarHBondContact O-N 3.26Å; W294-L297 HydrophobicContact CE3-CD2 4.14Å; W294-L297 HydrophobicContact CZ3-CD2 4.07Å; W294-S298 VanDerWaalsContact O-CB 3.25Å; W294-S298 WeakPolarHBondContact O-CB 3.49Å; W294-S298 PolarHBondContact O-N 2.75Å; W294-S298 PolarHBondContact O-OG 2.95Å
295F88.8Confident87.3Confident4 Ų449.1 Ų49.12%0.01826%0.263CS..Hα-helixtrans-60.9-55.9173169.3-101.1000111.8F291 I292 G293 L297 S298 V299 I489 I492F291-F295 PolarHBondContact O-N 3.41Å; I292-F295 HydrophobicContact CD1-CB 4.49Å; I292-F295 HydrophobicContact CD1-CD1 4.01Å; I292-F295 WeakPolarHBondContact O-CB 3.24Å; I292-F295 PolarHBondContact O-N 2.87Å; G293-F295 VanDerWaalsContact C-N 3.29Å; G293-F295 PolarHBondContact O-N 2.9Å; F295-L297 VanDerWaalsContact C-N 3.33Å; F295-L297 PolarHBondContact O-N 3.48Å; F295-S298 PolarHBondContact O-N 3.03Å; F295-V299 HydrophobicContact CD2-CG2 4.49Å; F295-V299 HydrophobicContact CE2-CG2 4.18Å; F295-V299 HydrophobicContact CZ-CG2 4.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.39Å; F295-V299 PolarHBondContact O-N 2.95Å; F295-I489 HydrophobicContact CE2-CG1 4.04Å; F295-I492 HydrophobicContact CB-CD1 3.92Å; F295-I492 HydrophobicContact CB-CG2 4.17Å; F295-I492 HydrophobicContact CD2-CD1 4.25Å
296Y90Very high88Confident1 Ų147.5 Ų47.50%0.00425%0.253CS..Hα-helixtrans-61.8-40.7178.5-79-70.1000112.3L232 T236 M271 L274 L275 V278 I292 G293 S298 V299 I300L232-Y296 HydrophobicContact CD2-CE2 4.05Å; L232-Y296 VanDerWaalsContact CD2-OH 3.26Å; L232-Y296 WeakPolarHBondContact CD2-OH 3.19Å; T236-Y296 HydrophobicContact CG2-CE1 3.56Å; T236-Y296 WeakPolarHBondContact CG2-OH 3.24Å; M271-Y296 HydrophobicContact SD-CD1 4.49Å; M271-Y296 HydrophobicContact SD-CE1 4.49Å; L274-Y296 HydrophobicContact CB-CE1 3.78Å; L275-Y296 HydrophobicContact CB-CG 4.32Å; L275-Y296 HydrophobicContact CD1-CD2 4.02Å; L275-Y296 HydrophobicContact CD1-CG 4.16Å; V278-Y296 HydrophobicContact CB-CE2 4.43Å; V278-Y296 HydrophobicContact CG2-CE2 3.92Å; I292-Y296 HydrophobicContact CD1-CE2 4.16Å; I292-Y296 HydrophobicContact CG1-CD2 4.2Å; I292-Y296 HydrophobicContact CG1-CE2 3.92Å; I292-Y296 VanDerWaalsContact O-CD2 3.22Å; I292-Y296 WeakPolarHBondContact O-CD2 3.33Å; I292-Y296 PolarHBondContact O-N 3.35Å; I292-Y296 VanDerWaalsContact O-N 3.1Å; G293-Y296 PolarHBondContact O-N 3.31Å; Y296-S298 VanDerWaalsContact C-N 3.34Å; Y296-S298 PolarHBondContact O-N 2.94Å; Y296-V299 PolarHBondContact O-N 3.22Å; Y296-I300 WeakPolarHBondContact O-CB 3.39Å; Y296-I300 VanDerWaalsContact O-CG1 3.23Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 3.3Å
297L89.5Confident88.5Confident77 Ų7742.8 Ų42.840%0.40322%0.219SC..Hα-helixtrans-61.4-44.2177.7-17565000111.4G293 W294 F295 I300 I301G293-L297 VanDerWaalsContact O-CB 3.31Å; G293-L297 WeakPolarHBondContact O-CB 3.17Å; G293-L297 PolarHBondContact O-N 2.88Å; W294-L297 HydrophobicContact CE3-CD2 4.14Å; W294-L297 HydrophobicContact CZ3-CD2 4.07Å; F295-L297 VanDerWaalsContact C-N 3.33Å; F295-L297 PolarHBondContact O-N 3.48Å; L297-I300 PolarHBondContact O-N 2.87Å; L297-I301 HydrophobicContact CD1-CD1 4.36Å; L297-I301 HydrophobicContact CG-CD1 4.03Å; L297-I301 VanDerWaalsContact O-CG1 3.28Å; L297-I301 WeakPolarHBondContact O-CG1 3.47Å; L297-I301 PolarHBondContact O-N 2.62Å
298S90.2Very high89.2Confident36 Ų3643.2 Ų43.225%0.25222%0.221SC..Hα-helixtrans-64.9-40.2178.7-62.10000111.7W294 F295 Y296 L302W294-S298 VanDerWaalsContact O-CB 3.25Å; W294-S298 WeakPolarHBondContact O-CB 3.49Å; W294-S298 PolarHBondContact O-N 2.75Å; W294-S298 PolarHBondContact O-OG 2.95Å; F295-S298 PolarHBondContact O-N 3.03Å; Y296-S298 VanDerWaalsContact C-N 3.34Å; Y296-S298 PolarHBondContact O-N 2.94Å; S298-L302 VanDerWaalsContact O-CB 3.23Å; S298-L302 WeakPolarHBondContact O-CB 3.36Å; S298-L302 PolarHBondContact O-N 3.31Å
299V91.1Very high89.7Confident2 Ų243 Ų431%0.01222%0.221CC..Hα-helixtrans-66-43.4174.9173.20000111.3N240 M271 F295 Y296 I301 L302 I303N240-V299 HydrophobicContact CB-CG1 4.36Å; M271-V299 HydrophobicContact CE-CG1 4.41Å; M271-V299 HydrophobicContact CG-CG1 4.18Å; M271-V299 HydrophobicContact SD-CG1 3.96Å; F295-V299 HydrophobicContact CD2-CG2 4.49Å; F295-V299 HydrophobicContact CE2-CG2 4.18Å; F295-V299 HydrophobicContact CZ-CG2 4.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.39Å; F295-V299 PolarHBondContact O-N 2.95Å; Y296-V299 PolarHBondContact O-N 3.22Å; V299-I301 PolarHBondContact O-N 2.88Å; V299-L302 PolarHBondContact O-N 3.31Å; V299-I303 HydrophobicContact CG1-CD1 3.67Å; V299-I303 HydrophobicContact CG1-CG1 4.3Å; V299-I303 WeakPolarHBondContact O-CG1 3.29Å; V299-I303 PolarHBondContact O-N 3.47Å
300I92.2Very high90.1Very high35 Ų3538.5 Ų38.518%0.17920%0.198CC..Hα-helixtrans-61.2-44.8176.9-71.8166000110.9L268 M271 L275 Y296 L297 S304L268-I300 HydrophobicContact CD2-CG2 4.25Å; M271-I300 HydrophobicContact CB-CG1 4Å; L275-I300 HydrophobicContact CD2-CD1 4.31Å; Y296-I300 WeakPolarHBondContact O-CB 3.39Å; Y296-I300 VanDerWaalsContact O-CG1 3.23Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 3.3Å; L297-I300 PolarHBondContact O-N 2.87Å; I300-S304 VanDerWaalsContact O-CB 3.26Å; I300-S304 WeakPolarHBondContact O-CB 3.37Å; I300-S304 PolarHBondContact O-N 3.23Å; I300-S304 PolarHBondContact O-OG 2.73Å
301I92.8Very high90.2Very high104 Ų10440.1 Ų40.153%0.53321%0.208SC..Hα-helixtrans-62.3-44.7176.3-69.3167.5000110.4L297 V299 S304 F305L297-I301 HydrophobicContact CD1-CD1 4.36Å; L297-I301 HydrophobicContact CG-CD1 4.03Å; L297-I301 VanDerWaalsContact O-CG1 3.28Å; L297-I301 WeakPolarHBondContact O-CG1 3.47Å; L297-I301 PolarHBondContact O-N 2.62Å; V299-I301 PolarHBondContact O-N 2.88Å; I301-S304 PolarHBondContact O-N 2.67Å; I301-F305 WeakPolarHBondContact O-CB 3.49Å; I301-F305 PolarHBondContact O-N 3.22Å
302L92.9Very high90.5Very high17 Ų1741.9 Ų41.99%0.08922%0.222CC..Hα-helixtrans-62.6-47.1-179.6-172.7153.5000111.6L244 S298 V299 F305 A306 F481 L484L244-L302 HydrophobicContact CD1-CD2 4.06Å; L244-L302 HydrophobicContact CD2-CD2 3.65Å; L244-L302 HydrophobicContact CG-CD2 4.34Å; S298-L302 VanDerWaalsContact O-CB 3.23Å; S298-L302 WeakPolarHBondContact O-CB 3.36Å; S298-L302 PolarHBondContact O-N 3.31Å; V299-L302 PolarHBondContact O-N 3.31Å; L302-F305 PolarHBondContact O-N 2.82Å; L302-A306 WeakPolarHBondContact O-CB 2.98Å; L302-A306 PolarHBondContact O-N 2.83Å; L302-F481 HydrophobicContact CD2-CD1 3.84Å; L302-F481 HydrophobicContact CG-CD1 3.95Å; L302-F481 HydrophobicContact CG-CE1 4.4Å; L302-F481 WeakPolarHBondContact O-CE1 3.31Å; L302-L484 HydrophobicContact CD1-CB 4.21Å
303I92.3Very high90.6Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-66.4-40.5177.1-64.7171000110.6I247 T267 L268 M271 V299 F305 A306 T307I247-I303 HydrophobicContact CD1-CG2 4.5Å; T267-I303 WeakPolarHBondContact OG1-CG2 3.37Å; L268-I303 HydrophobicContact CD2-CB 3.85Å; L268-I303 HydrophobicContact CD2-CG2 3.65Å; L268-I303 HydrophobicContact CG-CB 4.45Å; L268-I303 HydrophobicContact CG-CG2 3.69Å; M271-I303 HydrophobicContact CG-CD1 3.99Å; V299-I303 HydrophobicContact CG1-CD1 3.67Å; V299-I303 HydrophobicContact CG1-CG1 4.3Å; V299-I303 WeakPolarHBondContact O-CG1 3.29Å; V299-I303 PolarHBondContact O-N 3.47Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.82Å; I303-A306 PolarHBondContact O-N 3.46Å; I303-T307 HydrophobicContact CG2-CG2 4.26Å; I303-T307 VanDerWaalsContact O-CG2 3.3Å; I303-T307 WeakPolarHBondContact O-CG2 3.42Å; I303-T307 PolarHBondContact O-N 3.23Å; I303-T307 PolarHBondContact O-OG1 3.21Å
304S93.2Very high90.5Very high40 Ų4041.6 Ų41.628%0.2822%0.217SC..Hα-helixtrans-60.6-42.9176.7-60.40000111.5L268 I300 I301 T307 L308L268-S304 WeakPolarHBondContact CD2-OG 3.39Å; I300-S304 VanDerWaalsContact O-CB 3.26Å; I300-S304 WeakPolarHBondContact O-CB 3.37Å; I300-S304 PolarHBondContact O-N 3.23Å; I300-S304 PolarHBondContact O-OG 2.73Å; I301-S304 PolarHBondContact O-N 2.67Å; S304-T307 WeakPolarHBondContact CA-OG1 3.32Å; S304-T307 PolarHBondContact O-OG1 3.45Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.37Å; S304-L308 PolarHBondContact O-N 3.39Å; S304-L308 VanDerWaalsContact O-N 3.11Å
305F93.7Very high90.4Very high115 Ų11541.1 Ų41.150%0.50422%0.22SC..Hα-helixtrans-69.8-38.2176.6-168.1-124000112.1I301 L302 I303 T307 L308 L309 F481I301-F305 WeakPolarHBondContact O-CB 3.49Å; I301-F305 PolarHBondContact O-N 3.22Å; L302-F305 PolarHBondContact O-N 2.82Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.82Å; F305-T307 PolarHBondContact O-N 3.14Å; F305-L308 PolarHBondContact O-N 2.88Å; F305-L309 HydrophobicContact CD1-CD1 4.11Å; F305-L309 HydrophobicContact CE1-CD1 3.67Å; F305-L309 HydrophobicContact CE1-CG 4.28Å; F305-L309 HydrophobicContact CE2-CD2 4.35Å; F305-L309 HydrophobicContact CE2-CG 4.3Å; F305-L309 HydrophobicContact CZ-CD1 3.91Å; F305-L309 HydrophobicContact CZ-CD2 4.15Å; F305-L309 HydrophobicContact CZ-CG 4.11Å; F305-L309 WeakPolarHBondContact O-CG 3.38Å; F305-L309 PolarHBondContact O-N 2.82Å; F305-F481 HydrophobicContact CB-CE1 4.31Å; F305-F481 HydrophobicContact CB-CZ 4.4Å; F305-F481 AromaticContact CD1-CE1 3.84Å; F305-F481 HydrophobicContact CD1-CE1 3.84Å; F305-F481 HydrophobicContact CD1-CE2 4.32Å; F305-F481 AromaticContact CD1-CZ 3.3Å; F305-F481 HydrophobicContact CD1-CZ 3.3Å; F305-F481 HydrophobicContact CE1-CE2 4.47Å; F305-F481 AromaticContact CE1-CZ 3.83Å; F305-F481 HydrophobicContact CE1-CZ 3.83Å; F305-F481 HydrophobicContact CG-CZ 4.15Å
306A92.4Very high90.1Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-61.8-42.9175.500000112.4L244 I247 F248 L302 I303 L309 S310 F481L244-A306 HydrophobicContact CD2-CB 4.25Å; I247-A306 HydrophobicContact CD1-CB 4.47Å; I247-A306 HydrophobicContact CG2-CB 4.45Å; F248-A306 HydrophobicContact CE2-CB 4.11Å; F248-A306 HydrophobicContact CZ-CB 3.9Å; L302-A306 WeakPolarHBondContact O-CB 2.98Å; L302-A306 PolarHBondContact O-N 2.83Å; I303-A306 PolarHBondContact O-N 3.46Å; A306-L309 PolarHBondContact O-N 3.23Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.4Å; A306-F481 HydrophobicContact CB-CD1 3.89Å; A306-F481 HydrophobicContact CB-CE1 3.68Å; A306-F481 HydrophobicContact CB-CZ 4.24Å
307T91.5Very high89.6Confident19 Ų1943 Ų4312%0.11723%0.23CC..Hα-helixtrans-67.8-39.8178.352.20000112.8I247 I303 S304 F305 S310 T311I247-T307 HydrophobicContact CD1-CG2 3.95Å; I303-T307 HydrophobicContact CG2-CG2 4.26Å; I303-T307 VanDerWaalsContact O-CG2 3.3Å; I303-T307 WeakPolarHBondContact O-CG2 3.42Å; I303-T307 PolarHBondContact O-N 3.23Å; I303-T307 PolarHBondContact O-OG1 3.21Å; S304-T307 WeakPolarHBondContact CA-OG1 3.32Å; S304-T307 PolarHBondContact O-OG1 3.45Å; F305-T307 PolarHBondContact O-N 3.14Å; T307-S310 PolarHBondContact O-N 2.93Å; T307-T311 PolarHBondContact O-N 3.4Å; T307-T311 PolarHBondContact O-OG1 2.87Å
308L92.4Very high89.2Confident113 Ų11341.7 Ų41.759%0.59222%0.222SC*.Hα-helixtrans-61.2-48172.3-73.7172.5000111.6S304 F305 S310 T311 V312S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.37Å; S304-L308 PolarHBondContact O-N 3.39Å; S304-L308 VanDerWaalsContact O-N 3.11Å; F305-L308 PolarHBondContact O-N 2.88Å; L308-S310 PolarHBondContact O-N 2.79Å; L308-T311 WeakPolarHBondContact O-CB 3.07Å; L308-T311 PolarHBondContact O-N 2.79Å; L308-V312 WeakPolarHBondContact O-CG2 3.41Å; L308-V312 PolarHBondContact O-N 3.1Å
309L91.7Very high88.6Confident39 Ų3943.6 Ų43.620%0.20423%0.228CC..Hα-helixtrans-64.5-39.1178.1-70.3-178.7000112.5F305 A306 T311 V312 V313 L477 F481F305-L309 HydrophobicContact CD1-CD1 4.11Å; F305-L309 HydrophobicContact CE1-CD1 3.67Å; F305-L309 HydrophobicContact CE1-CG 4.28Å; F305-L309 HydrophobicContact CE2-CD2 4.35Å; F305-L309 HydrophobicContact CE2-CG 4.3Å; F305-L309 HydrophobicContact CZ-CD1 3.91Å; F305-L309 HydrophobicContact CZ-CD2 4.15Å; F305-L309 HydrophobicContact CZ-CG 4.11Å; F305-L309 WeakPolarHBondContact O-CG 3.38Å; F305-L309 PolarHBondContact O-N 2.82Å; A306-L309 PolarHBondContact O-N 3.23Å; L309-T311 VanDerWaalsContact C-N 3.28Å; L309-T311 PolarHBondContact O-N 2.94Å; L309-V312 PolarHBondContact O-N 2.66Å; L309-V312 VanDerWaalsContact O-N 3.16Å; L309-V313 WeakPolarHBondContact O-CG2 3.28Å; L309-V313 PolarHBondContact O-N 2.83Å; L309-L477 HydrophobicContact CB-CD1 4.15Å; L309-L477 HydrophobicContact CD1-CD1 4.24Å; L309-L477 HydrophobicContact CD1-CD2 3.91Å; L309-F481 HydrophobicContact CD1-CE2 3.5Å; L309-F481 VanDerWaalsContact CD1-CE2 3.5Å; L309-F481 HydrophobicContact CD1-CZ 3.56Å
310S88.9Confident87.6Confident2 Ų244.1 Ų44.11%0.01423%0.232CC..Hα-helixtrans-59.9-40.7174.2-171.50000111.2I247 A306 T307 L308 V312 V313 I314I247-S310 PolarHBondContact O-OG 2.69Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 3.4Å; T307-S310 PolarHBondContact O-N 2.93Å; L308-S310 PolarHBondContact O-N 2.79Å; S310-V312 PolarHBondContact O-N 3.46Å; S310-V313 PolarHBondContact O-N 2.89Å; S310-I314 VanDerWaalsContact O-CG1 3.29Å; S310-I314 WeakPolarHBondContact O-CG1 2.87Å; S310-I314 PolarHBondContact O-N 3.13Å
311T88.8Confident86.6Confident53 Ų5352 Ų5233%0.32526%0.259SS..Hα-helixtrans-62.6-41.9174.2-53.20000111.8T307 L308 L309 V313 I314 E315T307-T311 PolarHBondContact O-N 3.4Å; T307-T311 PolarHBondContact O-OG1 2.87Å; L308-T311 WeakPolarHBondContact O-CB 3.07Å; L308-T311 PolarHBondContact O-N 2.79Å; L309-T311 VanDerWaalsContact C-N 3.28Å; L309-T311 PolarHBondContact O-N 2.94Å; T311-V313 PolarHBondContact O-N 3.37Å; T311-I314 WeakPolarHBondContact O-CB 3.24Å; T311-I314 PolarHBondContact O-N 3.15Å; T311-E315 PolarHBondContact O-N 3.01Å
312V88.6Confident85.6Confident79 Ų7955.5 Ų55.548%0.47927%0.267SS..Hα-helixtrans-63.6-40.2174.7174.10000111.6L308 L309 S310 I314 E315 I316L308-V312 WeakPolarHBondContact O-CG2 3.41Å; L308-V312 PolarHBondContact O-N 3.1Å; L309-V312 PolarHBondContact O-N 2.66Å; L309-V312 VanDerWaalsContact O-N 3.16Å; S310-V312 PolarHBondContact O-N 3.46Å; V312-I314 VanDerWaalsContact C-N 3.34Å; V312-E315 WeakPolarHBondContact O-CB 2.95Å; V312-E315 PolarHBondContact O-N 2.95Å; V312-I316 HydrophobicContact CG1-CD1 4.03Å; V312-I316 HydrophobicContact CG1-CG1 4.49Å; V312-I316 VanDerWaalsContact O-CG1 3.31Å; V312-I316 WeakPolarHBondContact O-CG1 3.39Å; V312-I316 PolarHBondContact O-N 3.23Å
313V87.2Confident84.4Confident4 Ų461 Ų612%0.02429%0.287CS..Hα-helixtrans-63.8-41.2175.8173.20000111.2L309 S310 T311 E315 I316 Q317 A470 I473 E474 L477L309-V313 WeakPolarHBondContact O-CG2 3.28Å; L309-V313 PolarHBondContact O-N 2.83Å; S310-V313 PolarHBondContact O-N 2.89Å; T311-V313 PolarHBondContact O-N 3.37Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 2.89Å; V313-I316 WeakPolarHBondContact O-CB 3.43Å; V313-I316 PolarHBondContact O-N 2.83Å; V313-Q317 WeakPolarHBondContact O-CG 3.14Å; V313-Q317 PolarHBondContact O-N 3.21Å; V313-A470 HydrophobicContact CG1-CB 3.95Å; V313-I473 HydrophobicContact CG2-CG2 3.77Å; V313-E474 HydrophobicContact CB-CG 4.5Å; V313-E474 HydrophobicContact CG1-CG 3.69Å; V313-E474 WeakPolarHBondContact CG1-OE1 3.45Å; V313-E474 HydrophobicContact CG2-CG 4.47Å; V313-L477 HydrophobicContact CG2-CD1 4.18Å
314I85.3Confident83.5Confident13 Ų1367.3 Ų67.37%0.06731%0.314CS..Hα-helixtrans-57.7-49.1172.7-70.6167.8000109R257 I261 S310 T311 V312 I316 Q317 L318R257-I314 VanDerWaalsContact NH2-C 3.3Å; R257-I314 PolarHBondContact NH2-O 3.04Å; I261-I314 HydrophobicContact CD1-CD1 3.82Å; I261-I314 HydrophobicContact CG1-CD1 3.89Å; S310-I314 VanDerWaalsContact O-CG1 3.29Å; S310-I314 WeakPolarHBondContact O-CG1 2.87Å; S310-I314 PolarHBondContact O-N 3.13Å; T311-I314 WeakPolarHBondContact O-CB 3.24Å; T311-I314 PolarHBondContact O-N 3.15Å; V312-I314 VanDerWaalsContact C-N 3.34Å; I314-I316 VanDerWaalsContact C-N 3.32Å; I314-I316 PolarHBondContact O-N 2.9Å; I314-Q317 WeakPolarHBondContact O-CB 3.36Å; I314-Q317 PolarHBondContact O-N 2.81Å; I314-Q317 VanDerWaalsContact O-N 3.13Å; I314-L318 PolarHBondContact O-N 3.1Å
315E85.2Confident82.5Confident110 Ų11069.9 Ų69.951%0.51433%0.332SS..Hα-helixtrans-59-40.5176.3-73.5-59142.600113.1T311 V312 V313 Q317 L318 Q319T311-E315 PolarHBondContact O-N 3.01Å; V312-E315 WeakPolarHBondContact O-CB 2.95Å; V312-E315 PolarHBondContact O-N 2.95Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 2.89Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; E315-Q317 PolarHBondContact O-N 3.32Å; E315-L318 WeakPolarHBondContact O-CB 3.18Å; E315-L318 PolarHBondContact O-N 2.83Å; E315-L318 VanDerWaalsContact O-N 3.13Å; E315-Q319 PolarHBondContact O-N 3.15Å
316I82.4Confident81.7Confident41 Ų4164.8 Ų64.821%0.2131%0.31CS..Hα-helixtrans-60.4-43.6175.2-70.5167.6000110.9V312 V313 I314 L318 Q319 W466V312-I316 HydrophobicContact CG1-CD1 4.03Å; V312-I316 HydrophobicContact CG1-CG1 4.49Å; V312-I316 VanDerWaalsContact O-CG1 3.31Å; V312-I316 WeakPolarHBondContact O-CG1 3.39Å; V312-I316 PolarHBondContact O-N 3.23Å; V313-I316 WeakPolarHBondContact O-CB 3.43Å; V313-I316 PolarHBondContact O-N 2.83Å; I314-I316 VanDerWaalsContact C-N 3.32Å; I314-I316 PolarHBondContact O-N 2.9Å; I316-L318 VanDerWaalsContact C-N 3.28Å; I316-L318 PolarHBondContact O-N 2.94Å; I316-Q319 VanDerWaalsContact O-CB 3.23Å; I316-Q319 WeakPolarHBondContact O-CB 3.39Å; I316-Q319 PolarHBondContact O-N 3.26Å; I316-Q319 VanDerWaalsContact O-N 3.08Å; I316-W466 HydrophobicContact CG2-CE3 3.64Å; I316-W466 HydrophobicContact CG2-CH2 4.48Å; I316-W466 HydrophobicContact CG2-CZ3 3.4Å
317Q79.2Confident81Confident5 Ų568.2 Ų68.22%0.02333%0.332CS..Hα-helixtrans-65.5-29.7176.1-69.3170.7-11.700112.8T251 V313 I314 E315 Q319 A320 A470T251-Q317 PolarHBondContact OG1-NE2 2.91Å; T251-Q317 PolarHBondContact OG1-OE1 3.37Å; V313-Q317 WeakPolarHBondContact O-CG 3.14Å; V313-Q317 PolarHBondContact O-N 3.21Å; I314-Q317 WeakPolarHBondContact O-CB 3.36Å; I314-Q317 PolarHBondContact O-N 2.81Å; I314-Q317 VanDerWaalsContact O-N 3.13Å; E315-Q317 VanDerWaalsContact C-N 3.34Å; E315-Q317 PolarHBondContact O-N 3.32Å; Q317-Q319 PolarHBondContact O-N 2.96Å; Q317-A320 WeakPolarHBondContact O-CB 3.36Å; Q317-A320 PolarHBondContact O-N 2.78Å; Q317-A470 HydrophobicContact CG-CB 3.25Å
318L80.7Confident80.2Confident48 Ų4872.7 Ų72.725%0.25136%0.355SS..Hα-helixtrans-66.5-25.2174-67.5176000111.9I314 E315 I316 A320 R321 Y322I314-L318 PolarHBondContact O-N 3.1Å; E315-L318 WeakPolarHBondContact O-CB 3.18Å; E315-L318 PolarHBondContact O-N 2.83Å; E315-L318 VanDerWaalsContact O-N 3.13Å; I316-L318 VanDerWaalsContact C-N 3.28Å; I316-L318 PolarHBondContact O-N 2.94Å; L318-A320 PolarHBondContact O-N 3.28Å; L318-A320 VanDerWaalsContact O-N 3.16Å; L318-R321 WeakPolarHBondContact O-CB 3.01Å; L318-R321 PolarHBondContact O-N 3.22Å; L318-Y322 WeakPolarHBondContact O-CD2 3.38Å
319Q78.4Confident79.5Confident77 Ų7774.2 Ų74.236%0.3636%0.357SS..THydrogen-bonded Turntrans-60.2-24.2174.7-57-1734.800112.7E315 I316 Q317 R321 Y322 W466E315-Q319 PolarHBondContact O-N 3.15Å; I316-Q319 VanDerWaalsContact O-CB 3.23Å; I316-Q319 WeakPolarHBondContact O-CB 3.39Å; I316-Q319 PolarHBondContact O-N 3.26Å; I316-Q319 VanDerWaalsContact O-N 3.08Å; Q317-Q319 PolarHBondContact O-N 2.96Å; Q319-R321 VanDerWaalsContact C-N 3.27Å; Q319-R321 PolarHBondContact O-N 3.39Å; Q319-Y322 PolarHBondContact O-N 2.9Å; Q319-Y322 VanDerWaalsContact O-N 3.15Å; Q319-W466 HydrophobicContact CB-CH2 4.36Å; Q319-W466 HydrophobicContact CB-CZ2 4.1Å
320A70.2Confident78.8Confident12 Ų1279.1 Ų79.110%0.09937%0.373CS..THydrogen-bonded Turntrans-57.2-37.9170.700000113Q317 L318 Y322 R323 W466Q317-A320 WeakPolarHBondContact O-CB 3.36Å; Q317-A320 PolarHBondContact O-N 2.78Å; L318-A320 PolarHBondContact O-N 3.28Å; L318-A320 VanDerWaalsContact O-N 3.16Å; A320-Y322 VanDerWaalsContact C-N 3.31Å; A320-Y322 PolarHBondContact O-N 3.31Å; A320-R323 PolarHBondContact O-N 2.88Å; A320-W466 HydrophobicContact CB-CB 3.68Å; A320-W466 HydrophobicContact CB-CG 3.84Å
321R70.2Confident78.2Confident202 Ų20281.2 Ų81.276%0.76238%0.381SS*.THydrogen-bonded Turntrans-69.9-29.9179.1-67.5-173.4176.5-163.2-0.7112.2L318 Q319 R323L318-R321 WeakPolarHBondContact O-CB 3.01Å; L318-R321 PolarHBondContact O-N 3.22Å; Q319-R321 VanDerWaalsContact C-N 3.27Å; Q319-R321 PolarHBondContact O-N 3.39Å; R321-R323 PolarHBondContact O-N 3.43Å
322Y72.6Confident77.5Confident177 Ų17784.9 Ų84.969%0.69439%0.392SS*.THydrogen-bonded Turntrans-81.411.2-179.6-65.1-72.3000114L318 Q319 A320 K324L318-Y322 WeakPolarHBondContact O-CD2 3.38Å; Q319-Y322 PolarHBondContact O-N 2.9Å; Q319-Y322 VanDerWaalsContact O-N 3.15Å; A320-Y322 VanDerWaalsContact C-N 3.31Å; A320-Y322 PolarHBondContact O-N 3.31Å; Y322-K324 PolarHBondContact O-N 2.9Å; Y322-K324 VanDerWaalsContact O-N 3.11Å
323R68Low77Confident133 Ų13383.3 Ų83.350%0.50238%0.383SS..THydrogen-bonded Turntrans54.126.4178.9-61.2-171.2-174.9-154.22.3114.8A320 R321 Q459 L462A320-R323 PolarHBondContact O-N 2.88Å; R321-R323 PolarHBondContact O-N 3.43Å; R323-Q459 HydrophobicContact CG-CG 4.37Å; R323-L462 VanDerWaalsContact CA-CD2 3.47Å
324K73.3Confident76.6Confident132 Ų13283.5 Ų83.557%0.57438%0.383SS*.PPolyproline II helixtrans-82.2128.1177.4-71.2-172.5177.1-179.90110.8Y322 W466Y322-K324 PolarHBondContact O-N 2.9Å; Y322-K324 VanDerWaalsContact O-N 3.11Å; K324-W466 PolarHBondContact O-NE1 3.38Å
325S72.7Confident75.9Confident93 Ų9383.8 Ų83.865%0.6538%0.384SS*.PPolyproline II helixtrans-70.3140.4169.956.90000111.1
326I75.5Confident75.2Confident8 Ų885 Ų854%0.04139%0.39CS..PPolyproline II helixtrans-64.5129.6174.4-67.7153.5000108.9N328 W330 R331 E465 W466 V469I326-N328 PolarHBondContact O-N 3.3Å; I326-W330 HydrophobicContact CG2-CB 3.83Å; I326-R331 HydrophobicContact CG2-CB 4.21Å; I326-E465 HydrophobicContact CD1-CB 4.2Å; I326-E465 HydrophobicContact CD1-CG 3.54Å; I326-W466 HydrophobicContact CB-CZ2 4.5Å; I326-W466 HydrophobicContact CD1-CD2 4.04Å; I326-W466 HydrophobicContact CD1-CE3 4.29Å; I326-W466 HydrophobicContact CD1-CG 4.35Å; I326-W466 HydrophobicContact CG1-CD2 3.83Å; I326-W466 VanDerWaalsContact CG1-CE2 3.5Å; I326-W466 HydrophobicContact CG1-CE3 4.05Å; I326-W466 HydrophobicContact CG1-CH2 3.76Å; I326-W466 HydrophobicContact CG1-CZ2 3.5Å; I326-W466 HydrophobicContact CG1-CZ3 3.99Å; I326-V469 HydrophobicContact CD1-CG2 3.69Å
327P78.5Confident74.6Confident72 Ų7286.7 Ų86.747%0.46840%0.402SS..PPolyproline II helixtrans-58.7137.5176.4-21.130.9000110.9F329 W330 R331P327-F329 PolarHBondContact O-N 3.41Å; P327-W330 PolarHBondContact O-N 2.98Å; P327-R331 PolarHBondContact O-N 3.25Å; P327-R331 VanDerWaalsContact O-N 3.14Å
328N73.4Confident74.4Confident114 Ų11488.9 Ų88.961%0.6141%0.414SS*.Hα-helixtrans-52.7-30.8-172.9-70.3-24.2000114.4I326 K332I326-N328 PolarHBondContact O-N 3.3Å; N328-K332 PolarHBondContact O-N 3.48Å
329F78.4Confident73.8Confident144 Ų14487 Ų8763%0.63241%0.405SS*.Hα-helixtrans-62.9-51.7175.2180-98.4000112.1P327 R331 K332 V333P327-F329 PolarHBondContact O-N 3.41Å; F329-R331 VanDerWaalsContact C-N 3.29Å; F329-R331 PolarHBondContact O-N 2.88Å; F329-K332 PolarHBondContact O-N 2.85Å; F329-V333 HydrophobicContact CD1-CG2 4.42Å; F329-V333 HydrophobicContact CE1-CG2 4.02Å; F329-V333 HydrophobicContact CE2-CG2 4.44Å; F329-V333 HydrophobicContact CZ-CG2 4.03Å; F329-V333 WeakPolarHBondContact O-CG2 3.29Å; F329-V333 PolarHBondContact O-N 2.95Å; F329-V333 VanDerWaalsContact O-N 3.09Å
330W77.7Confident73.3Confident143 Ų14387.6 Ų87.654%0.54242%0.418SS..Hα-helixtrans-63.4-37.1178.1-69.6111.9000111.7I326 P327 K332 V333 I334I326-W330 HydrophobicContact CG2-CB 3.83Å; P327-W330 PolarHBondContact O-N 2.98Å; W330-K332 VanDerWaalsContact C-N 3.34Å; W330-K332 PolarHBondContact O-N 3.4Å; W330-V333 PolarHBondContact O-N 2.97Å; W330-I334 HydrophobicContact CB-CD1 4.26Å; W330-I334 WeakPolarHBondContact O-CB 3.28Å; W330-I334 WeakPolarHBondContact O-CD1 3.47Å; W330-I334 VanDerWaalsContact O-CG1 3.3Å; W330-I334 WeakPolarHBondContact O-CG1 3.42Å; W330-I334 PolarHBondContact O-N 2.96Å
331R75.7Confident73.4Confident45 Ų4596.5 Ų96.517%0.1745%0.449CS..Hα-helixtrans-57.8-46.2174.8-160.6175.881.2178.94.2111.4I326 P327 F329 F335 E465I326-R331 HydrophobicContact CG2-CB 4.21Å; P327-R331 PolarHBondContact O-N 3.25Å; P327-R331 VanDerWaalsContact O-N 3.14Å; F329-R331 VanDerWaalsContact C-N 3.29Å; F329-R331 PolarHBondContact O-N 2.88Å; R331-F335 HydrophobicContact CG-CD2 3.64Å; R331-F335 HydrophobicContact CG-CE2 3.94Å; R331-F335 WeakPolarHBondContact O-CB 3.41Å; R331-F335 VanDerWaalsContact O-CD2 3.28Å; R331-F335 WeakPolarHBondContact O-CD2 3.39Å; R331-F335 PolarHBondContact O-N 3.42Å; R331-E465 WeakPolarHBondContact CD-OE1 3.42Å
332K74.2Confident73.3Confident130 Ų13087.6 Ų87.657%0.56542%0.417SS*.Hα-helixtrans-64.4-50.5176.8-73.6-176.1177.9-176.90112.3N328 F329 W330 I334 E336N328-K332 PolarHBondContact O-N 3.48Å; F329-K332 PolarHBondContact O-N 2.85Å; W330-K332 VanDerWaalsContact C-N 3.34Å; W330-K332 PolarHBondContact O-N 3.4Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 2.9Å; K332-E336 WeakPolarHBondContact O-CA 3.29Å; K332-E336 WeakPolarHBondContact O-CB 3.33Å; K332-E336 PolarHBondContact O-N 2.03Å
333V78.9Confident72.9Confident46 Ų4688.3 Ų88.328%0.27942%0.424SS..Iπ-helixtrans-60.1-44.1-177.6175.10000111.6F329 W330 T337 L338F329-V333 HydrophobicContact CD1-CG2 4.42Å; F329-V333 HydrophobicContact CE1-CG2 4.02Å; F329-V333 HydrophobicContact CE2-CG2 4.44Å; F329-V333 HydrophobicContact CZ-CG2 4.03Å; F329-V333 WeakPolarHBondContact O-CG2 3.29Å; F329-V333 PolarHBondContact O-N 2.95Å; F329-V333 VanDerWaalsContact O-N 3.09Å; W330-V333 PolarHBondContact O-N 2.97Å; V333-T337 VanDerWaalsContact O-CB 3.23Å; V333-T337 WeakPolarHBondContact O-CB 3.38Å; V333-T337 PolarHBondContact O-N 2.96Å; V333-T337 PolarHBondContact O-OG1 3.03Å; V333-L338 HydrophobicContact CG1-CD1 4.14Å; V333-L338 PolarHBondContact O-N 3.34Å; V333-L338 VanDerWaalsContact O-N 3.11Å
334I77.5Confident72.8Confident8 Ų883.1 Ų83.14%0.04141%0.406CS..Iπ-helixtrans-73.3-48.3-176.4-66.4160.5000111.4W330 K332 L338 A339 V469 I472W330-I334 HydrophobicContact CB-CD1 4.26Å; W330-I334 WeakPolarHBondContact O-CB 3.28Å; W330-I334 WeakPolarHBondContact O-CD1 3.47Å; W330-I334 VanDerWaalsContact O-CG1 3.3Å; W330-I334 WeakPolarHBondContact O-CG1 3.42Å; W330-I334 PolarHBondContact O-N 2.96Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 2.9Å; I334-L338 HydrophobicContact CG1-CD1 4.15Å; I334-L338 PolarHBondContact O-N 2.83Å; I334-A339 WeakPolarHBondContact O-CB 3.36Å; I334-A339 PolarHBondContact O-N 3.3Å; I334-V469 HydrophobicContact CD1-CB 4.36Å; I334-V469 HydrophobicContact CD1-CG1 3.43Å; I334-V469 VanDerWaalsContact CD1-CG1 3.43Å; I334-V469 HydrophobicContact CD1-CG2 4.1Å; I334-V469 HydrophobicContact CG2-CB 4.39Å; I334-V469 HydrophobicContact CG2-CG1 4.38Å; I334-V469 HydrophobicContact CG2-CG2 3.99Å; I334-I472 HydrophobicContact CG2-CB 4.09Å; I334-I472 HydrophobicContact CG2-CD1 3.62Å; I334-I472 HydrophobicContact CG2-CG1 4.46Å; I334-I472 HydrophobicContact CG2-CG2 3.96Å
335F71.3Confident72.3Confident19 Ų1988.4 Ų88.48%0.08342%0.422CS..Iπ-helixtrans-83.2-30.3-174.4-71.5-70.5000114.2R331 A339 I346 M354 E465 V469 I472R331-F335 HydrophobicContact CG-CD2 3.64Å; R331-F335 HydrophobicContact CG-CE2 3.94Å; R331-F335 WeakPolarHBondContact O-CB 3.41Å; R331-F335 VanDerWaalsContact O-CD2 3.28Å; R331-F335 WeakPolarHBondContact O-CD2 3.39Å; R331-F335 PolarHBondContact O-N 3.42Å; F335-A339 WeakPolarHBondContact O-CB 3.4Å; F335-I346 HydrophobicContact CD1-CD1 3.94Å; F335-I346 HydrophobicContact CD1-CG1 4.5Å; F335-M354 HydrophobicContact CB-CE 4.23Å; F335-M354 HydrophobicContact CD2-CE 4.03Å; F335-M354 HydrophobicContact CG-CE 4.05Å; F335-E465 HydrophobicContact CE2-CG 4.15Å; F335-E465 HydrophobicContact CZ-CG 4.05Å; F335-V469 HydrophobicContact CE2-CG2 4.06Å; F335-V469 HydrophobicContact CZ-CG2 4.1Å; F335-I472 HydrophobicContact CD1-CD1 4.34Å; F335-I472 HydrophobicContact CE1-CD1 4.28Å
336E70.1Confident72Confident135 Ų13586.4 Ų86.463%0.63140%0.404SS*.Iπ-helixtrans-91.3-40.7-180-60.8178.217100111.8K332K332-E336 WeakPolarHBondContact O-CA 3.29Å; K332-E336 WeakPolarHBondContact O-CB 3.33Å; K332-E336 PolarHBondContact O-N 2.03Å
337T70.7Confident71.5Confident77 Ų7788.2 Ų88.247%0.47242%0.416SS..Iπ-helixtrans-96.4-52.5-173.1-36.20000112.8V333V333-T337 VanDerWaalsContact O-CB 3.23Å; V333-T337 WeakPolarHBondContact O-CB 3.38Å; V333-T337 PolarHBondContact O-N 2.96Å; V333-T337 PolarHBondContact O-OG1 3.03Å
338L73.4Confident70.8Confident52 Ų5289.3 Ų89.327%0.27242%0.424SS..Iπ-helixtrans-79-41.5-173.4-71156000112.3V333 I334 S340 R341 V342 I472 T476V333-L338 HydrophobicContact CG1-CD1 4.14Å; V333-L338 PolarHBondContact O-N 3.34Å; V333-L338 VanDerWaalsContact O-N 3.11Å; I334-L338 HydrophobicContact CG1-CD1 4.15Å; I334-L338 PolarHBondContact O-N 2.83Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.91Å; L338-R341 PolarHBondContact O-N 2.85Å; L338-R341 VanDerWaalsContact O-N 3.16Å; L338-V342 WeakPolarHBondContact O-CG2 3.18Å; L338-V342 PolarHBondContact O-N 3.06Å; L338-I472 HydrophobicContact CB-CG2 3.6Å; L338-T476 HydrophobicContact CB-CG2 4.26Å; L338-T476 HydrophobicContact CD2-CG2 3.51Å; L338-T476 HydrophobicContact CG-CG2 4.44Å
339A69.3Low70.3Confident7 Ų791.4 Ų91.46%0.05843%0.427CS..Hα-helixtrans-61.4-37.8178.600000112.4I334 F335 R341 V342 I346 I472I334-A339 WeakPolarHBondContact O-CB 3.36Å; I334-A339 PolarHBondContact O-N 3.3Å; F335-A339 WeakPolarHBondContact O-CB 3.4Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.32Å; A339-V342 PolarHBondContact O-N 3.38Å; A339-I346 HydrophobicContact CB-CD1 4.34Å; A339-I472 HydrophobicContact CB-CD1 4.02Å
340S68.6Low69.7Low91 Ų9184.9 Ų84.964%0.63640%0.399SS*.Hα-helixtrans-62.4-39.3176.2-176.20000112.3L338L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.91Å
341R70.3Confident69Low199 Ų19985.8 Ų85.875%0.75140%0.402SS*.Hα-helixtrans-76.9-21.6-179.4-75-166.3176.1174.90.7114.6L338 A339L338-R341 PolarHBondContact O-N 2.85Å; L338-R341 VanDerWaalsContact O-N 3.16Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.32Å
342V68.8Low68.4Low15 Ų1590.9 Ų90.99%0.09143%0.426CS..THydrogen-bonded Turntrans-1109.1-166.7-179.70000112.8L338 A339 I344 R475 T476 I479L338-V342 WeakPolarHBondContact O-CG2 3.18Å; L338-V342 PolarHBondContact O-N 3.06Å; A339-V342 PolarHBondContact O-N 3.38Å; V342-I344 HydrophobicContact CB-CD1 4.42Å; V342-I344 HydrophobicContact CG1-CD1 3.78Å; V342-I344 HydrophobicContact CG1-CG1 4.11Å; V342-I344 PolarHBondContact O-N 3.38Å; V342-I344 VanDerWaalsContact O-N 3.07Å; V342-R475 HydrophobicContact CG1-CB 3.28Å; V342-R475 HydrophobicContact CG1-CG 4.21Å; V342-T476 HydrophobicContact CB-CG2 4.45Å; V342-T476 HydrophobicContact CG2-CG2 3.31Å; V342-I479 HydrophobicContact CG2-CD1 4.48Å
343F64.8Low67.9Low191 Ų19187.6 Ų87.684%0.83842%0.416SS*.THydrogen-bonded Turntrans49.235.7175.6-66-76.3000114.1
344I66.4Low67.1Low25 Ų2587 Ų8713%0.12841%0.411CS..  trans-86.6126.6173.8-66.8160.1000108.9V342 I346 T471 I472 R475V342-I344 HydrophobicContact CB-CD1 4.42Å; V342-I344 HydrophobicContact CG1-CD1 3.78Å; V342-I344 HydrophobicContact CG1-CG1 4.11Å; V342-I344 PolarHBondContact O-N 3.38Å; V342-I344 VanDerWaalsContact O-N 3.07Å; I344-I346 PolarHBondContact O-N 3.47Å; I344-T471 HydrophobicContact CD1-CG2 4.22Å; I344-I472 HydrophobicContact CD1-CB 4.13Å; I344-I472 HydrophobicContact CD1-CG1 3.54Å; I344-R475 HydrophobicContact CD1-CB 4.4Å; I344-R475 HydrophobicContact CD1-CG 4.32Å; I344-R475 VanDerWaalsContact CG1-NH1 3.31Å
345R62.8Low66.2Low242 Ų24289.3 Ų89.391%0.91342%0.423SS*.  trans-75.4109.3167.1-74.7-175-179.7-178.71109.3
346I65Low65.5Low52 Ų5294.4 Ų94.427%0.26745%0.447SS..  trans-65.2131.4173.5-58.1164.8000108.3F335 A339 I344 L350F335-I346 HydrophobicContact CD1-CD1 3.94Å; F335-I346 HydrophobicContact CD1-CG1 4.5Å; A339-I346 HydrophobicContact CB-CD1 4.34Å; I344-I346 PolarHBondContact O-N 3.47Å; I346-L350 HydrophobicContact CG2-CB 4.27Å
347P66.5Low64.8Low45 Ų4592 Ų9229%0.29244%0.439SS..  trans-60.5135.2178.421.3-31000111K349 L350 L464P347-K349 PolarHBondContact O-N 2.83Å; P347-K349 VanDerWaalsContact O-N 3.07Å; P347-L350 HydrophobicContact CG-CB 4.49Å; P347-L350 HydrophobicContact CG-CD1 3.94Å; P347-L350 PolarHBondContact O-N 2.77Å; P347-L350 VanDerWaalsContact O-N 3.07Å; P347-L464 HydrophobicContact CG-CD2 4.3Å
348P62.5Low63.7Low96 Ų9693 Ų9362%0.62344%0.441SS*.Hα-helixtrans-64.4-21.3-171.324.3-34.3000113.7L350 K352P348-L350 VanDerWaalsContact C-N 3.34Å; P348-K352 PolarHBondContact O-N 2.97Å
349K63.4Low62.2Low158 Ų15899.4 Ų99.469%0.68746%0.461SS*.Hα-helixtrans-61.5-40.8174.8-69.4-173.1177.6-176.90111.8P347P347-K349 PolarHBondContact O-N 2.83Å; P347-K349 VanDerWaalsContact O-N 3.07Å
350L65.5Low61Low7 Ų7103.9 Ų103.94%0.03748%0.484CS..Hα-helixtrans-70.6-41.5179.3-107.8148.2000112I346 P347 P348 K352 V353 M354 L464 E465I346-L350 HydrophobicContact CG2-CB 4.27Å; P347-L350 HydrophobicContact CG-CB 4.49Å; P347-L350 HydrophobicContact CG-CD1 3.94Å; P347-L350 PolarHBondContact O-N 2.77Å; P347-L350 VanDerWaalsContact O-N 3.07Å; P348-L350 VanDerWaalsContact C-N 3.34Å; L350-K352 VanDerWaalsContact C-N 3.29Å; L350-K352 PolarHBondContact O-N 2.86Å; L350-V353 PolarHBondContact O-N 2.57Å; L350-V353 VanDerWaalsContact O-N 3.16Å; L350-M354 HydrophobicContact CD2-SD 4.45Å; L350-M354 WeakPolarHBondContact O-CG 3.45Å; L350-M354 PolarHBondContact O-N 3.36Å; L350-L464 HydrophobicContact CD1-CB 4.17Å; L350-L464 HydrophobicContact CD1-CD2 3.61Å; L350-L464 HydrophobicContact CD1-CG 3.59Å; L350-L464 HydrophobicContact CG-CD2 4.26Å; L350-E465 HydrophobicContact CD2-CB 3.96Å; L350-E465 HydrophobicContact CD2-CG 3.86Å
351W63.7Low59.6Low161 Ų161101.3 Ų101.361%0.6147%0.472SS*.Hα-helixtrans-61.5-37179.6-165.681.9000112.8N355W351-N355 VanDerWaalsContact CE3-ND2 3.32Å; W351-N355 WeakPolarHBondContact CH2-ND2 3.34Å; W351-N355 WeakPolarHBondContact CZ2-ND2 3.22Å; W351-N355 WeakPolarHBondContact CZ3-ND2 3.5Å; W351-N355 WeakPolarHBondContact O-CB 3.48Å; W351-N355 PolarHBondContact O-N 3.28Å; W351-N355 VanDerWaalsContact O-N 3.11Å
352K62.5Low58Low153 Ų15398.7 Ų98.767%0.66547%0.466SS*.Hα-helixtrans-63.7-40.5176-73.7-179.2-178.5-179.60112.4P348 L350 H356P348-K352 PolarHBondContact O-N 2.97Å; L350-K352 VanDerWaalsContact C-N 3.29Å; L350-K352 PolarHBondContact O-N 2.86Å; K352-H356 PolarHBondContact O-N 3.07Å
353V63.7Low56.4Low60 Ų60106.6 Ų106.636%0.36450%0.495SS..Hα-helixtrans-70.3-47.9180177.90000110.4L350 N355 H356 D357 L461L350-V353 PolarHBondContact O-N 2.57Å; L350-V353 VanDerWaalsContact O-N 3.16Å; V353-N355 VanDerWaalsContact C-N 3.3Å; V353-N355 PolarHBondContact O-N 3.07Å; V353-H356 PolarHBondContact O-N 2.86Å; V353-D357 PolarHBondContact O-N 2.81Å; V353-D357 VanDerWaalsContact O-N 3.16Å; V353-L461 HydrophobicContact CG2-CD1 4.14Å; V353-L461 HydrophobicContact CG2-CD2 4.28Å
354M62.5Low55.2Low34 Ų34105 Ų10517%0.16749%0.49CS..Hα-helixtrans-59.7-38.2178.8-68.517464.300113.1F335 L350 N358F335-M354 HydrophobicContact CB-CE 4.23Å; F335-M354 HydrophobicContact CD2-CE 4.03Å; F335-M354 HydrophobicContact CG-CE 4.05Å; L350-M354 HydrophobicContact CD2-SD 4.45Å; L350-M354 WeakPolarHBondContact O-CG 3.45Å; L350-M354 PolarHBondContact O-N 3.36Å; M354-N358 PolarHBondContact O-N 2.84Å
355N58.7Low53.9Low57 Ų57110.7 Ų110.731%0.30552%0.516SS..Hα-helixtrans-73.1-25.8176.2-86.9-16.5000113.7W351 V353 R359W351-N355 VanDerWaalsContact CE3-ND2 3.32Å; W351-N355 WeakPolarHBondContact CH2-ND2 3.34Å; W351-N355 WeakPolarHBondContact CZ2-ND2 3.22Å; W351-N355 WeakPolarHBondContact CZ3-ND2 3.5Å; W351-N355 WeakPolarHBondContact O-CB 3.48Å; W351-N355 PolarHBondContact O-N 3.28Å; W351-N355 VanDerWaalsContact O-N 3.11Å; V353-N355 VanDerWaalsContact C-N 3.3Å; V353-N355 PolarHBondContact O-N 3.07Å; N355-R359 WeakPolarHBondContact O-CG 3.4Å; N355-R359 PolarHBondContact O-N 2.81Å
356H57.1Low52.9Low126 Ų126106.1 Ų106.158%0.58350%0.503SS*.Hα-helixtrans-74.4-40.4177.6-133.2-71.5000111.3K352 V353 R359 L360K352-H356 PolarHBondContact O-N 3.07Å; V353-H356 PolarHBondContact O-N 2.86Å; H356-R359 PolarHBondContact O-N 2.92Å; H356-L360 PolarHBondContact O-N 3.44Å; H356-L360 VanDerWaalsContact O-N 3.1Å
357D55.3Low51.6Low85 Ų85105.6 Ų105.646%0.45551%0.51SS..Hα-helixtrans-67-41.6176.5-76-12.1000112.3V353 R359 L360 G361V353-D357 PolarHBondContact O-N 2.81Å; V353-D357 VanDerWaalsContact O-N 3.16Å; D357-R359 VanDerWaalsContact C-N 3.26Å; D357-R359 PolarHBondContact O-N 2.95Å; D357-L360 PolarHBondContact O-N 2.85Å; D357-G361 PolarHBondContact O-N 2.97Å; D357-G361 VanDerWaalsContact O-N 3.07Å
358N46.5Very low50.2Low97 Ų97113.6 Ų113.652%0.51954%0.535SS..Hα-helixtrans-64.7-29.3176.2-83.3-6.9000112.7M354M354-N358 PolarHBondContact O-N 2.84Å
359R42.2Very low49.1Very low186 Ų186115.3 Ų115.370%0.70254%0.538SS*.Hα-helixtrans-74.1-41.8173.9-79.4-176.4-179.1-168.10.2111.8N355 H356 D357 F362 Y363N355-R359 WeakPolarHBondContact O-CG 3.4Å; N355-R359 PolarHBondContact O-N 2.81Å; H356-R359 PolarHBondContact O-N 2.92Å; D357-R359 VanDerWaalsContact C-N 3.26Å; D357-R359 PolarHBondContact O-N 2.95Å; R359-F362 PolarHBondContact O-N 3.3Å; R359-Y363 WeakPolarHBondContact O-CD2 3.48Å; R359-Y363 PolarHBondContact O-N 3.06Å
360L43.3Very low47.9Very low102 Ų102118.1 Ų118.153%0.53455%0.545SS..Hα-helixtrans-64.3-42.1179.7-78.2157.1000112.3H356 D357 F362 Y363 E364H356-L360 PolarHBondContact O-N 3.44Å; H356-L360 VanDerWaalsContact O-N 3.1Å; D357-L360 PolarHBondContact O-N 2.85Å; L360-F362 VanDerWaalsContact C-N 3.26Å; L360-F362 PolarHBondContact O-N 3.17Å; L360-Y363 PolarHBondContact O-N 3.06Å; L360-E364 PolarHBondContact O-N 3.36Å; L360-E364 VanDerWaalsContact O-N 3.12Å
361G40.3Very low46.6Very low36 Ų36124.8 Ų124.837%0.37158%0.575SS.*Hα-helixtrans-63.8-27.7175.400000114.3D357 H365D357-G361 PolarHBondContact O-N 2.97Å; D357-G361 VanDerWaalsContact O-N 3.07Å; G361-H365 PolarHBondContact O-N 3.42Å
362F36.5Very low45.1Very low145 Ų145122.4 Ų122.464%0.63658%0.584SS**Hα-helixtrans-76.5-25.1177.3-135.5-89.4000113.1R359 L360R359-F362 PolarHBondContact O-N 3.3Å; L360-F362 VanDerWaalsContact C-N 3.26Å; L360-F362 PolarHBondContact O-N 3.17Å
363Y35.2Very low43.8Very low180 Ų180120 Ų12071%0.70659%0.585SS**Hα-helixtrans-83.9-33.9174-76.5-75.1000112.2R359 L360 K366 G367R359-Y363 WeakPolarHBondContact O-CD2 3.48Å; R359-Y363 PolarHBondContact O-N 3.06Å; L360-Y363 PolarHBondContact O-N 3.06Å; Y363-K366 PolarHBondContact O-N 3.16Å; Y363-G367 PolarHBondContact O-N 3.37Å
364E40.2Very low42.5Very low157 Ų157125.3 Ų125.373%0.73461%0.607SS**Hα-helixtrans-67.9-38.4177.4-126177.4175.200112.3L360 R368L360-E364 PolarHBondContact O-N 3.36Å; L360-E364 VanDerWaalsContact O-N 3.12Å; E364-R368 PolarHBondContact O-N 3.35Å
365H39.4Very low41.1Very low146 Ų146130.7 Ų130.768%0.67664%0.635SS**Hα-helixtrans-72.5-30.8175.4-113.6-68.8000113.4G361G361-H365 PolarHBondContact O-N 3.42Å
366K40.6Very low39.8Very low146 Ų146135.7 Ų135.764%0.63566%0.662SS**Hα-helixtrans-81.1-21.5175-95.5-177.8174.1178.10114.1Y363Y363-K366 PolarHBondContact O-N 3.16Å
367G38.3Very low38.7Very low40 Ų40138.4 Ų138.441%0.41268%0.675SS.*Hα-helixtrans-80.5-25.3177.500000113.8Y363Y363-G367 PolarHBondContact O-N 3.37Å
368R35.9Very low37.7Very low214 Ų214142.6 Ų142.681%0.80870%0.696SS**Hα-helixtrans-82.5-24.8-177-137.7170.8-172.8162.81.3114E364E364-R368 PolarHBondContact O-N 3.35Å
369D39.8Very low37.1Very low131 Ų131146.3 Ų146.370%0.70171%0.709SS**THydrogen-bonded Turntrans-89.41.7-178.6-67.2-22.6000114.3
370R38.7Very low36.6Very low217 Ų217142 Ų14282%0.81971%0.707SS**SBendtrans-122.2-1-178-81.6-174.7-180-176.9-1.4115.9
371H37.2Very low36Very low147 Ų147144.8 Ų144.868%0.68172%0.723SS**SBendtrans-115.49.5-173-104.2-75.5000115.4S373H371-S373 PolarHBondContact O-N 3.29Å
372S33.4Very low35.6Very low112 Ų112148 Ų14878%0.78374%0.738SS**THydrogen-bonded Turntrans-91.219.3-175.970.20000115.5
373S35.2Very low35.5Very low101 Ų101151.9 Ų151.971%0.70675%0.75SS**THydrogen-bonded Turntrans-135.111.3-173.454.90000116.7H371H371-S373 PolarHBondContact O-N 3.29Å
374Q36.1Very low35.4Very low173 Ų173148.4 Ų148.481%0.80876%0.758SS**SBendtrans-147.113-169.7-108.4178.3-2.500119.3
375L33.2Very low34.9Very low147 Ų147145.4 Ų145.477%0.7776%0.76SS**  trans-131.565.9178.1-87.3110.2000112.9
376D30.8Very low34.6Very low161 Ų161145.1 Ų145.186%0.86177%0.768SS**  trans-119.889.8153-89.8-29.2000107.1
377Q35.1Very low34.1Very low184 Ų184146.2 Ų146.286%0.8678%0.776SS**  trans156.1110157.2-89.716619.300108.1
378I34.3Very low33.8Very low173 Ų173149.8 Ų149.889%0.88779%0.792SS**  trans163.2114.5131.6-78.9153.3000107.3
379H32.9Very low33.7Very low174 Ų174146.4 Ų146.481%0.80679%0.789SS**  trans-89.9141.1-171.9-136.7-81.9000110.3
380S31.8Very low33.4Very low95 Ų95142.4 Ų142.466%0.66477%0.774SS**  trans56114.1145.6480000121.6
381D31.9Very low33.2Very low162 Ų162140.9 Ų140.987%0.86677%0.773SS**  trans-154129.6135.1-121.2-14.6000111.4
382P30.6Very low33.1Very low104 Ų104138.1 Ų138.168%0.67577%0.767SS**  trans-111.784.2-171.737.7-25.8000113.2
383Y35.2Very low33.1Very low226 Ų226137.1 Ų137.189%0.88676%0.759SS**  trans-151.621.9169.9-86.8-72.2000115.9
384A33.6Very low33.2Very low107 Ų107141 Ų14188%0.88476%0.759SS**  trans-106.179.6178.900000111.8
385A28.9Very low33.1Very low94 Ų94142.2 Ų142.278%0.77776%0.758SS**  trans-130.354.7178.100000112.6
386V32.3Very low33.2Very low140 Ų140141.6 Ų141.685%0.84875%0.751SS**  trans-15480.3161.5-169.90000110.2
387E31.1Very low33.5Very low169 Ų169143.7 Ų143.779%0.7975%0.747SS**  trans-166.895.6158.5-120.8177.8-178.200113.5
388P31.2Very low33.8Very low115 Ų115138.4 Ų138.475%0.74774%0.735SS**  trans-122.328.1159.835.9-22.3000113.7
389L33.8Very low33.9Very low143 Ų143139.9 Ų139.975%0.74973%0.73SS**SBendtrans-101-14.3171.2-104.6102000114.8
390A33.9Very low34.4Very low47 Ų47136.9 Ų136.939%0.38872%0.719SS.*THydrogen-bonded Turntrans-77.4-23.9-174.300000114.2Y394A390-Y394 WeakPolarHBondContact O-CD2 3.33Å
391K34Very low34.8Very low184 Ų184141.3 Ų141.380%0.873%0.727SS**THydrogen-bonded Turntrans-80.8-16.2-175-76.5-178178.2175.20114.5
392T35.1Very low35.1Very low89 Ų89144.4 Ų144.455%0.54673%0.726SS.*THydrogen-bonded Turntrans-88.8-20.2-178.7-13.10000113.2
393C34.7Very low35.3Very low91 Ų91146 Ų14662%0.61573%0.729SS**Hα-helixtrans-80.8-13.3176.4-79.10000114.7Y395 R397C393-Y395 VanDerWaalsContact C-N 3.34Å; C393-Y395 PolarHBondContact O-N 3.01Å; C393-R397 PolarHBondContact O-N 3.32Å
394Y35.9Very low35.4Very low182 Ų182144.1 Ų144.171%0.71473%0.728SS**Hα-helixtrans-71.4-26.2-178.8-89.2-86.3000113.7A390A390-Y394 WeakPolarHBondContact O-CD2 3.33Å
395Y35Very low35.2Very low200 Ų200142.2 Ų142.278%0.78472%0.719SS**Hα-helixtrans-82.4-29.5178.5-70.7-78.3000113.1C393C393-Y395 VanDerWaalsContact C-N 3.34Å; C393-Y395 PolarHBondContact O-N 3.01Å
396H35.3Very low35.5Very low134 Ų134145 Ų14562%0.6273%0.726SS**Hα-helixtrans-75.1-27178.6-143-62000112.7
397R37.4Very low35.3Very low204 Ų204147.7 Ų147.777%0.7773%0.726SS**Hα-helixtrans-78.8-18.3-179.2-148.6171.9-163170.24.7114C393C393-R397 PolarHBondContact O-N 3.32Å
398A41.8Very low35.2Very low74 Ų74145.7 Ų145.761%0.61273%0.73SS**Hα-helixtrans-88.1-23.7177.900000113.3
399Y35.4Very low35Very low203 Ų203151 Ų15180%0.79674%0.735SS**Hα-helixtrans-83.2-30.2179.5-159.1-97.7000112.7
400I42.8Very low34.8Very low111 Ų111150.9 Ų150.957%0.56974%0.735SS**G310 helixtrans-77.8-20.5179.3-66.3173.2000112.5R402I400-R402 PolarHBondContact O-N 3.2Å; I400-R402 VanDerWaalsContact O-N 3.16Å
401K40.3Very low34.6Very low189 Ų189156 Ų15682%0.82276%0.756SS**G310 helixtrans-76.74.1-177.7-106.3-176178.2-175.90115.7
402R39.1Very low34.5Very low226 Ų226155.1 Ų155.185%0.85376%0.755SS**G310 helixtrans-110.2-7.7-172.8-148.7176.2-163.1141.24.4114.8I400I400-R402 PolarHBondContact O-N 3.2Å; I400-R402 VanDerWaalsContact O-N 3.16Å
403N34.1Very low34Very low139 Ų139159.4 Ų159.474%0.74377%0.769SS**SBendtrans-119.6147.2166.4-83.9-10.2000107.5
404E36.9Very low33.8Very low185 Ų185165.8 Ų165.886%0.86478%0.781SS**  trans91.476.8178.3-53179-178.900115.1
405G30.4Very low33.4Very low68 Ų68168.1 Ų168.170%0.70179%0.789SS**  -62.9160126.400000109.7
406V34.8Very low33.2Very low152 Ų152169 Ų16992%0.92179%0.792SS**  trans110.6119176.9-174.20000113
407K27.9Very low33.1Very low196 Ų196168.1 Ų168.185%0.85280%0.801SS**  trans-70150179.1-68.9166.3168.8173.70111.8
408C29.3Very low32.9Very low128 Ų128165.1 Ų165.187%0.86581%0.806SS**  trans-179.6104.7142-92.80000106.9
409R27.3Very low32.5Very low227 Ų227169.9 Ų169.986%0.85782%0.82SS**  28.4115.187.1-105.3-169-164.3170.43.8116.9
410D30.1Very low32.4Very low140 Ų140163.6 Ų163.675%0.74982%0.817SS**  trans52.9137.2148.1-56.6-30000121.4
411D29Very low31.8Very low155 Ų155164.6 Ų164.683%0.82983%0.834SS**  trans64.3111.3163.2-79.9-21.5000119.1
412Q31.2Very low31.4Very low165 Ų165161 Ų16177%0.77183%0.833SS**  -176.398.4115.9-97.4171.61100112.1Y414Q412-Y414 PolarHBondContact O-N 3.39Å
413Q26Very low31.1Very low179 Ų179158.8 Ų158.884%0.83683%0.829SS**  trans0.5105131.5-159.5170.414.800116.2
414Y30.4Very low31.1Very low225 Ų225160.1 Ų160.188%0.88283%0.831SS**  trans-97.4113.5158.8-85.3-86.5000110Q412Q412-Y414 PolarHBondContact O-N 3.39Å
415R27.4Very low30.9Very low230 Ų230158.5 Ų158.587%0.86883%0.828SS**  trans-59.8135.3-175.4-92.5170176.9170.5-0.2113.5S417R415-S417 PolarHBondContact O-N 3.31Å
416Y31.2Very low31.2Very low218 Ų218162.1 Ų162.186%0.85583%0.831SS**  trans-60.8124.4150.7-68.4-91.4000109.2T418Y416-T418 PolarHBondContact O-N 3.28Å
417S33.3Very low31.2Very low116 Ų116159.3 Ų159.381%0.81182%0.819SS**  trans-74.1102.7165.642.80000109R415 L419R415-S417 PolarHBondContact O-N 3.31Å; S417-L419 PolarHBondContact O-N 3.35Å
418T32.3Very low31.8Very low141 Ų141159.5 Ų159.587%0.86582%0.82SS**  trans-66.4106.7164.737.20000109.1Y416Y416-T418 PolarHBondContact O-N 3.28Å
419L32.9Very low32.6Very low174 Ų174160.6 Ų160.691%0.91182%0.817SS**  trans-118.4117169.1-157.778.9000108.9S417S417-L419 PolarHBondContact O-N 3.35Å
420G33.1Very low33.8Very low71 Ų71153.3 Ų153.373%0.73280%0.798SS**  trans87.176.5152.400000117.5S422G420-S422 PolarHBondContact O-N 2.79Å
421S30.1Very low34.7Very low133 Ų133150 Ų15093%0.9378%0.784SS**  trans-70.299.6145.3159.80000107.9
422S33.6Very low36.1Very low113 Ų113148.4 Ų148.479%0.7978%0.779SS**  trans-150.5134.6152.4-1670000109.4G420G420-S422 PolarHBondContact O-N 2.79Å
423K32.3Very low37.4Very low179 Ų179144.2 Ų144.278%0.77877%0.768SS**  trans-59.6164.7175-65.8167169.1176.40111.3
424E34Very low39.2Very low168 Ų168138.3 Ų138.379%0.78575%0.745SS**  trans77.897.7166.3-64.9162-169.400112.7
425D31.2Very low40.8Very low150 Ų150131.8 Ų131.880%0.80272%0.724SS**  96.4141.983.3-90.5-18.2000110.4
426D36.9Very low42.9Very low144 Ų144124.1 Ų124.177%0.7771%0.706SS**  trans78.786.2166.8-64.8-14.5000120.2
427S35.5Very low45Very low93 Ų93122.5 Ų122.565%0.6570%0.698SS**  42.399.2122.176.20000118.4
428F41.7Very low47Very low200 Ų200122.3 Ų122.388%0.87768%0.684SS**  trans-13774.2139.9-137.6-92.3000108.4V430F428-V430 VanDerWaalsContact C-N 3.28Å; F428-V430 HydrophobicContact CD1-CG2 4.28Å; F428-V430 PolarHBondContact O-N 2.86Å
429D45.2Very low49.2Very low152 Ų152120.8 Ų120.881%0.81367%0.67SS**  trans-67.385.3172.9-80.2-41.1000109.5P431D429-P431 VanDerWaalsContact O-CD 3.31Å; D429-P431 WeakPolarHBondContact O-CD 3.44Å
430V52.9Low51.4Low74 Ų74115.3 Ų115.345%0.44865%0.65SS.*  trans-74.5110.2149.1-179.70000104.6F428 V432 T434F428-V430 VanDerWaalsContact C-N 3.28Å; F428-V430 HydrophobicContact CD1-CG2 4.28Å; F428-V430 PolarHBondContact O-N 2.86Å; V430-V432 PolarHBondContact O-N 3.03Å; V430-T434 HydrophobicContact CG1-CG2 4.23Å
431P49.3Very low53.7Low71 Ų71117 Ų11746%0.46164%0.638SS.*  trans-62.5136.4-173.523.3-28.9000108D429 S433 T434D429-P431 VanDerWaalsContact O-CD 3.31Å; D429-P431 WeakPolarHBondContact O-CD 3.44Å; P431-S433 WeakPolarHBondContact CB-OG 3.26Å; P431-S433 PolarHBondContact O-N 2.7Å; P431-T434 WeakPolarHBondContact CD-OG1 3.48Å; P431-T434 WeakPolarHBondContact CG-OG1 3.35Å; P431-T434 WeakPolarHBondContact O-CB 3.43Å; P431-T434 PolarHBondContact O-N 2.82Å; P431-T434 PolarHBondContact O-OG1 2.98Å
432V57.6Low56.3Low120 Ų120115.8 Ų115.873%0.72762%0.621SS**Hα-helixtrans-50.4-23179.41740000112V430 T434 I435 S436V430-V432 PolarHBondContact O-N 3.03Å; V432-T434 VanDerWaalsContact C-N 3.27Å; V432-T434 PolarHBondContact O-N 2.8Å; V432-I435 PolarHBondContact O-N 2.84Å; V432-S436 PolarHBondContact O-N 2.83Å; V432-S436 PolarHBondContact O-OG 3.45Å
433S59.1Low58.7Low77 Ų77114 Ų11454%0.53861%0.608SS.*Hα-helixtrans-61.3-26.9170.259.80000114.8P431 S436 R437P431-S433 WeakPolarHBondContact CB-OG 3.26Å; P431-S433 PolarHBondContact O-N 2.7Å; S433-S436 WeakPolarHBondContact CA-OG 3.32Å; S433-S436 PolarHBondContact O-OG 2.87Å; S433-S436 VanDerWaalsContact O-OG 3.13Å; S433-R437 VanDerWaalsContact O-CB 3.22Å; S433-R437 WeakPolarHBondContact O-CB 3.3Å; S433-R437 PolarHBondContact O-N 2.86Å
434T62.4Low61.3Low56 Ų56112.1 Ų112.134%0.34460%0.602SS.*Hα-helixtrans-77.2-41177-39.70000111V430 P431 V432 R437 Q438V430-T434 HydrophobicContact CG1-CG2 4.23Å; P431-T434 WeakPolarHBondContact CD-OG1 3.48Å; P431-T434 WeakPolarHBondContact CG-OG1 3.35Å; P431-T434 WeakPolarHBondContact O-CB 3.43Å; P431-T434 PolarHBondContact O-N 2.82Å; P431-T434 PolarHBondContact O-OG1 2.98Å; V432-T434 VanDerWaalsContact C-N 3.27Å; V432-T434 PolarHBondContact O-N 2.8Å; T434-R437 PolarHBondContact O-N 2.81Å; T434-Q438 WeakPolarHBondContact O-CG 3.39Å; T434-Q438 PolarHBondContact O-N 3.33Å
435I65.6Low63.7Low87 Ų87107.8 Ų107.845%0.44658%0.584SS.*Hα-helixtrans-70.5-42177.8-61.6174.7000110.4V432 R437 Q438 I439V432-I435 PolarHBondContact O-N 2.84Å; I435-R437 VanDerWaalsContact C-N 3.29Å; I435-R437 PolarHBondContact O-N 2.98Å; I435-Q438 PolarHBondContact O-N 2.73Å; I435-I439 HydrophobicContact CG2-CD1 4.07Å; I435-I439 WeakPolarHBondContact O-CG1 3.28Å; I435-I439 PolarHBondContact O-N 2.76Å
436S70.7Confident66.4Low69 Ų69104.9 Ų104.948%0.48357%0.572SS.*Hα-helixtrans-64-36.2176.166.50000112.2V432 S433 I439 A440V432-S436 PolarHBondContact O-N 2.83Å; V432-S436 PolarHBondContact O-OG 3.45Å; S433-S436 WeakPolarHBondContact CA-OG 3.32Å; S433-S436 PolarHBondContact O-OG 2.87Å; S433-S436 VanDerWaalsContact O-OG 3.13Å; S436-I439 PolarHBondContact O-N 3.33Å; S436-A440 WeakPolarHBondContact O-CB 3.39Å; S436-A440 PolarHBondContact O-N 3.32Å
437R74.4Confident68.7Low184 Ų184104.1 Ų104.169%0.69456%0.563SS**Hα-helixtrans-66.3-42.6173.6-177.5176.3152.4176-5.8112.3S433 T434 I435 I439 A440 E441S433-R437 VanDerWaalsContact O-CB 3.22Å; S433-R437 WeakPolarHBondContact O-CB 3.3Å; S433-R437 PolarHBondContact O-N 2.86Å; T434-R437 PolarHBondContact O-N 2.81Å; I435-R437 VanDerWaalsContact C-N 3.29Å; I435-R437 PolarHBondContact O-N 2.98Å; R437-I439 PolarHBondContact O-N 2.95Å; R437-A440 PolarHBondContact O-N 2.82Å; R437-E441 WeakPolarHBondContact O-CB 3.5Å; R437-E441 PolarHBondContact O-N 3.13Å
438Q75.7Confident71.2Confident113 Ų113104.8 Ų104.853%0.52856%0.556SS.*Hα-helixtrans-63-39.7175-77.2-177.3-17.400112.7T434 I435 E441 I442T434-Q438 WeakPolarHBondContact O-CG 3.39Å; T434-Q438 PolarHBondContact O-N 3.33Å; I435-Q438 PolarHBondContact O-N 2.73Å; Q438-E441 PolarHBondContact O-N 3.12Å; Q438-I442 VanDerWaalsContact O-CG1 3.3Å; Q438-I442 WeakPolarHBondContact O-CG1 3.18Å; Q438-I442 PolarHBondContact O-N 2.82Å
439I79.6Confident73.5Confident109 Ų109100 Ų10056%0.55954%0.538SS*.Hα-helixtrans-67-39.9176.6-67.5168.6000111.3I435 S436 R437 I442 S443I435-I439 HydrophobicContact CG2-CD1 4.07Å; I435-I439 WeakPolarHBondContact O-CG1 3.28Å; I435-I439 PolarHBondContact O-N 2.76Å; S436-I439 PolarHBondContact O-N 3.33Å; R437-I439 PolarHBondContact O-N 2.95Å; I439-I442 PolarHBondContact O-N 2.82Å; I439-S443 WeakPolarHBondContact O-CB 3.28Å; I439-S443 PolarHBondContact O-N 2.69Å
440A79.2Confident75.6Confident59 Ų5998.3 Ų98.349%0.48853%0.527SS..Hα-helixtrans-62.5-42.3175.100000111.7S436 R437 S443 E444S436-A440 WeakPolarHBondContact O-CB 3.39Å; S436-A440 PolarHBondContact O-N 3.32Å; R437-A440 PolarHBondContact O-N 2.82Å; A440-S443 PolarHBondContact O-N 3.1Å; A440-E444 WeakPolarHBondContact O-CB 3.33Å; A440-E444 PolarHBondContact O-N 2.82Å
441E81.9Confident77.3Confident106 Ų106101.2 Ų101.250%0.49553%0.534SS..Hα-helixtrans-65-40.5177.3-168.3172.9-176.500112.3R437 Q438 E444 N445R437-E441 WeakPolarHBondContact O-CB 3.5Å; R437-E441 PolarHBondContact O-N 3.13Å; Q438-E441 PolarHBondContact O-N 3.12Å; E441-E444 PolarHBondContact O-N 3.4Å; E441-N445 WeakPolarHBondContact O-CB 3.13Å; E441-N445 PolarHBondContact O-N 3.27Å; E441-N445 PolarHBondContact O-ND2 2.87Å; E441-N445 VanDerWaalsContact O-ND2 3.1Å
442I84.3Confident79.2Confident108 Ų108102.4 Ų102.455%0.55454%0.536SS*.Hα-helixtrans-65.5-43173.8-67.3166.1000111.1Q438 I439 E444 N445 V446Q438-I442 VanDerWaalsContact O-CG1 3.3Å; Q438-I442 WeakPolarHBondContact O-CG1 3.18Å; Q438-I442 PolarHBondContact O-N 2.82Å; I439-I442 PolarHBondContact O-N 2.82Å; I442-E444 VanDerWaalsContact C-N 3.35Å; I442-E444 PolarHBondContact O-N 3.28Å; I442-N445 PolarHBondContact O-N 2.92Å; I442-V446 HydrophobicContact CG2-CG2 4.34Å; I442-V446 WeakPolarHBondContact O-CB 3.19Å; I442-V446 VanDerWaalsContact O-CG2 3.27Å; I442-V446 WeakPolarHBondContact O-CG2 3.35Å; I442-V446 PolarHBondContact O-N 2.93Å
443S84.2Confident80.7Confident76 Ų76101.5 Ų101.553%0.53153%0.526SS..Hα-helixtrans-61.6-42.3177.8-176.60000111.9I439 A440 V446 H447I439-S443 WeakPolarHBondContact O-CB 3.28Å; I439-S443 PolarHBondContact O-N 2.69Å; A440-S443 PolarHBondContact O-N 3.1Å; S443-V446 PolarHBondContact O-N 2.79Å; S443-H447 WeakPolarHBondContact O-CB 3.31Å; S443-H447 PolarHBondContact O-N 3.03Å
444E85.2Confident81.9Confident138 Ų13899.6 Ų99.665%0.64552%0.518SS*.Hα-helixtrans-64.9-45.4175.9-172.3169.2-167.300111.7A440 E441 I442 V446 H447 Q448A440-E444 WeakPolarHBondContact O-CB 3.33Å; A440-E444 PolarHBondContact O-N 2.82Å; E441-E444 PolarHBondContact O-N 3.4Å; I442-E444 VanDerWaalsContact C-N 3.35Å; I442-E444 PolarHBondContact O-N 3.28Å; E444-V446 PolarHBondContact O-N 2.95Å; E444-H447 PolarHBondContact O-N 3.17Å; E444-Q448 WeakPolarHBondContact O-CB 3.46Å; E444-Q448 PolarHBondContact O-N 2.84Å
445N85.6Confident82.9Confident78 Ų78100.6 Ų100.642%0.41752%0.519SS..Hα-helixtrans-59.9-42.8175-75.5-32.5000112.1E441 I442 Q448 I449E441-N445 WeakPolarHBondContact O-CB 3.13Å; E441-N445 PolarHBondContact O-N 3.27Å; E441-N445 PolarHBondContact O-ND2 2.87Å; E441-N445 VanDerWaalsContact O-ND2 3.1Å; I442-N445 PolarHBondContact O-N 2.92Å; N445-Q448 PolarHBondContact O-N 2.77Å; N445-I449 WeakPolarHBondContact O-CB 3.4Å; N445-I449 VanDerWaalsContact O-CG1 3.24Å; N445-I449 WeakPolarHBondContact O-CG1 3.39Å; N445-I449 PolarHBondContact O-N 2.84Å
446V88Confident83.7Confident88 Ų88101.1 Ų101.153%0.53352%0.52SS..Hα-helixtrans-65.2-41.8176170.90000111I442 S443 E444 Q448 I449 M450I442-V446 HydrophobicContact CG2-CG2 4.34Å; I442-V446 WeakPolarHBondContact O-CB 3.19Å; I442-V446 VanDerWaalsContact O-CG2 3.27Å; I442-V446 WeakPolarHBondContact O-CG2 3.35Å; I442-V446 PolarHBondContact O-N 2.93Å; S443-V446 PolarHBondContact O-N 2.79Å; E444-V446 PolarHBondContact O-N 2.95Å; V446-Q448 VanDerWaalsContact C-N 3.32Å; V446-Q448 PolarHBondContact O-N 2.91Å; V446-I449 PolarHBondContact O-N 2.83Å; V446-M450 WeakPolarHBondContact O-CB 3.33Å; V446-M450 PolarHBondContact O-N 2.74Å
447H85.4Confident84.3Confident129 Ų129103.9 Ų103.960%0.59753%0.525SS*.Hα-helixtrans-63.5-39.2176.4-166.473.2000111.7S443 E444 M450 K451S443-H447 WeakPolarHBondContact O-CB 3.31Å; S443-H447 PolarHBondContact O-N 3.03Å; E444-H447 PolarHBondContact O-N 3.17Å; H447-M450 PolarHBondContact O-N 3.11Å; H447-K451 WeakPolarHBondContact O-CB 3.44Å; H447-K451 PolarHBondContact O-N 2.84Å
448Q87.7Confident84.6Confident107 Ų10798.1 Ų98.150%0.551%0.513SS..Hα-helixtrans-66.8-43.6175.4-171173.1-8.700111.9E444 N445 V446 K451 L452E444-Q448 WeakPolarHBondContact O-CB 3.46Å; E444-Q448 PolarHBondContact O-N 2.84Å; N445-Q448 PolarHBondContact O-N 2.77Å; V446-Q448 VanDerWaalsContact C-N 3.32Å; V446-Q448 PolarHBondContact O-N 2.91Å; Q448-K451 PolarHBondContact O-N 3.24Å; Q448-L452 HydrophobicContact CG-CD1 4.36Å; Q448-L452 WeakPolarHBondContact O-CB 3.43Å; Q448-L452 VanDerWaalsContact O-CG 3.3Å; Q448-L452 WeakPolarHBondContact O-CG 3.44Å; Q448-L452 PolarHBondContact O-N 3.16Å
449I90.4Very high84.8Confident98 Ų9896 Ų9650%0.50350%0.503SS..Hα-helixtrans-61.8-44.9174.3-68.9164.5000110.6N445 V446 K451 L452 L453N445-I449 WeakPolarHBondContact O-CB 3.4Å; N445-I449 VanDerWaalsContact O-CG1 3.24Å; N445-I449 WeakPolarHBondContact O-CG1 3.39Å; N445-I449 PolarHBondContact O-N 2.84Å; V446-I449 PolarHBondContact O-N 2.83Å; I449-K451 VanDerWaalsContact C-N 3.32Å; I449-K451 PolarHBondContact O-N 2.82Å; I449-L452 PolarHBondContact O-N 2.86Å; I449-L453 HydrophobicContact CG2-CD1 3.85Å; I449-L453 HydrophobicContact CG2-CG 4.22Å; I449-L453 WeakPolarHBondContact O-CB 3.29Å; I449-L453 VanDerWaalsContact O-CG 3.31Å; I449-L453 WeakPolarHBondContact O-CG 3.31Å; I449-L453 PolarHBondContact O-N 2.87Å
450M89.4Confident84.9Confident117 Ų11796 Ų9658%0.57650%0.501SS*.Hα-helixtrans-62.3-39.4177.3-177.2178.7153.600111.8V446 H447 L453 G454V446-M450 WeakPolarHBondContact O-CB 3.33Å; V446-M450 PolarHBondContact O-N 2.74Å; H447-M450 PolarHBondContact O-N 3.11Å; M450-L453 PolarHBondContact O-N 3.37Å; M450-G454 PolarHBondContact O-N 3.33Å
451K88.1Confident85Confident136 Ų13696.2 Ų96.259%0.59149%0.493SS*.Hα-helixtrans-65.1-42174.1-173.5177.4179.6179.40111.9H447 Q448 I449 G454 Q455H447-K451 WeakPolarHBondContact O-CB 3.44Å; H447-K451 PolarHBondContact O-N 2.84Å; Q448-K451 PolarHBondContact O-N 3.24Å; I449-K451 VanDerWaalsContact C-N 3.32Å; I449-K451 PolarHBondContact O-N 2.82Å; K451-G454 PolarHBondContact O-N 2.88Å; K451-Q455 WeakPolarHBondContact O-CG 3.17Å; K451-Q455 PolarHBondContact O-N 2.95Å
452L88.5Confident84.9Confident95 Ų9592.5 Ų92.550%0.49748%0.477SS..Hα-helixtrans-66.5-41.3176.1-72.3171.2000111.9Q448 I449 Q455 H456Q448-L452 HydrophobicContact CG-CD1 4.36Å; Q448-L452 WeakPolarHBondContact O-CB 3.43Å; Q448-L452 VanDerWaalsContact O-CG 3.3Å; Q448-L452 WeakPolarHBondContact O-CG 3.44Å; Q448-L452 PolarHBondContact O-N 3.16Å; I449-L452 PolarHBondContact O-N 2.86Å; L452-Q455 PolarHBondContact O-N 2.85Å; L452-H456 WeakPolarHBondContact O-CB 3.33Å; L452-H456 PolarHBondContact O-N 3.01Å
453L89Confident84.7Confident102 Ų10288.9 Ų88.953%0.53446%0.463SS..Hα-helixtrans-62.6-45.4174.5-74.1172.3000111.2I449 M450 Q455 H456 E457I449-L453 HydrophobicContact CG2-CD1 3.85Å; I449-L453 HydrophobicContact CG2-CG 4.22Å; I449-L453 WeakPolarHBondContact O-CB 3.29Å; I449-L453 VanDerWaalsContact O-CG 3.31Å; I449-L453 WeakPolarHBondContact O-CG 3.31Å; I449-L453 PolarHBondContact O-N 2.87Å; M450-L453 PolarHBondContact O-N 3.37Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 2.59Å; L453-H456 PolarHBondContact O-N 2.6Å; L453-H456 VanDerWaalsContact O-N 3.11Å; L453-E457 WeakPolarHBondContact O-CG 3.01Å; L453-E457 PolarHBondContact O-N 2.79Å
454G83.9Confident84.6Confident36 Ų3688.2 Ų88.237%0.37145%0.453SS..Hα-helixtrans-63-36.6175.300000113.2M450 K451 S458M450-G454 PolarHBondContact O-N 3.33Å; K451-G454 PolarHBondContact O-N 2.88Å; G454-S458 WeakPolarHBondContact O-CB 3.3Å; G454-S458 PolarHBondContact O-N 2.89Å; G454-S458 PolarHBondContact O-OG 3.1Å
455Q83.5Confident84.4Confident77 Ų7782.9 Ų82.936%0.3643%0.428SS..Hα-helixtrans-66.7-38.7171.3-74.9-177.9-10.800112.2K451 L452 L453 S458 Q459K451-Q455 WeakPolarHBondContact O-CG 3.17Å; K451-Q455 PolarHBondContact O-N 2.95Å; L452-Q455 PolarHBondContact O-N 2.85Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 2.59Å; Q455-S458 WeakPolarHBondContact CA-OG 3.5Å; Q455-S458 PolarHBondContact O-OG 2.82Å; Q455-Q459 VanDerWaalsContact O-CG 3.29Å; Q455-Q459 WeakPolarHBondContact O-CG 3.29Å; Q455-Q459 PolarHBondContact O-N 2.89Å
456H83.6Confident84.3Confident99 Ų9980 Ų8046%0.45841%0.411SS..Hα-helixtrans-68.2-44177.5-167.265.8000111.8L452 L453 Q459 Q460L452-H456 WeakPolarHBondContact O-CB 3.33Å; L452-H456 PolarHBondContact O-N 3.01Å; L453-H456 PolarHBondContact O-N 2.6Å; L453-H456 VanDerWaalsContact O-N 3.11Å; H456-Q459 PolarHBondContact O-N 3.5Å; H456-Q460 PolarHBondContact CD2-NE2 3.41Å; H456-Q460 VanDerWaalsContact CD2-NE2 3.33Å; H456-Q460 PolarHBondContact NE2-NE2 3.35Å; H456-Q460 WeakPolarHBondContact O-CG 3.15Å; H456-Q460 PolarHBondContact O-N 3.31Å
457E83.4Confident84Confident127 Ų12777.1 Ų77.159%0.59339%0.393SS*.Hα-helixtrans-62.9-43.6175.8-74.5-170.2154.700112L453 Q459 Q460 L461L453-E457 WeakPolarHBondContact O-CG 3.01Å; L453-E457 PolarHBondContact O-N 2.79Å; E457-Q459 VanDerWaalsContact C-N 3.34Å; E457-Q459 PolarHBondContact O-N 2.84Å; E457-Q460 PolarHBondContact O-N 3.29Å; E457-L461 WeakPolarHBondContact O-CB 3.29Å; E457-L461 WeakPolarHBondContact O-CG 3.26Å; E457-L461 PolarHBondContact O-N 3.11Å
458S79.7Confident83.8Confident63 Ų6371.6 Ų71.644%0.44137%0.368SS..Hα-helixtrans-64.1-36.9175.955.40000112.7G454 Q455 L461 L462G454-S458 WeakPolarHBondContact O-CB 3.3Å; G454-S458 PolarHBondContact O-N 2.89Å; G454-S458 PolarHBondContact O-OG 3.1Å; Q455-S458 WeakPolarHBondContact CA-OG 3.5Å; Q455-S458 PolarHBondContact O-OG 2.82Å; S458-L461 PolarHBondContact O-N 2.8Å; S458-L462 WeakPolarHBondContact O-CB 3.44Å; S458-L462 PolarHBondContact O-N 2.79Å
459Q80.8Confident83.6Confident67 Ų6766.6 Ų66.631%0.31335%0.345SS..Hα-helixtrans-64.8-42.4172.2-75.8-174.1-70.800112.6R323 Q455 H456 E457 L461 L462 A463R323-Q459 HydrophobicContact CG-CG 4.37Å; Q455-Q459 VanDerWaalsContact O-CG 3.29Å; Q455-Q459 WeakPolarHBondContact O-CG 3.29Å; Q455-Q459 PolarHBondContact O-N 2.89Å; H456-Q459 PolarHBondContact O-N 3.5Å; E457-Q459 VanDerWaalsContact C-N 3.34Å; E457-Q459 PolarHBondContact O-N 2.84Å; Q459-L461 VanDerWaalsContact C-N 3.35Å; Q459-L462 PolarHBondContact O-N 2.85Å; Q459-A463 WeakPolarHBondContact O-CB 3.44Å; Q459-A463 PolarHBondContact O-N 2.87Å
460Q81.7Confident83.3Confident111 Ų11161.9 Ų61.952%0.51932%0.321SS..Hα-helixtrans-64.6-39.8176.7-73.5-177.5-6.300111.7H456 E457 A463 L464H456-Q460 PolarHBondContact CD2-NE2 3.41Å; H456-Q460 VanDerWaalsContact CD2-NE2 3.33Å; H456-Q460 PolarHBondContact NE2-NE2 3.35Å; H456-Q460 WeakPolarHBondContact O-CG 3.15Å; H456-Q460 PolarHBondContact O-N 3.31Å; E457-Q460 PolarHBondContact O-N 3.29Å; Q460-A463 PolarHBondContact O-N 2.93Å; Q460-L464 WeakPolarHBondContact O-CB 3.45Å; Q460-L464 PolarHBondContact O-N 3.28Å
461L80.6Confident83.1Confident62 Ų6257.5 Ų57.533%0.32530%0.301SS..Hα-helixtrans-64.8-43.7176.3-75.2170.7000111.9V353 E457 S458 Q459 L464 E465V353-L461 HydrophobicContact CG2-CD1 4.14Å; V353-L461 HydrophobicContact CG2-CD2 4.28Å; E457-L461 WeakPolarHBondContact O-CB 3.29Å; E457-L461 WeakPolarHBondContact O-CG 3.26Å; E457-L461 PolarHBondContact O-N 3.11Å; S458-L461 PolarHBondContact O-N 2.8Å; Q459-L461 VanDerWaalsContact C-N 3.35Å; L461-L464 PolarHBondContact O-N 2.84Å; L461-E465 PolarHBondContact O-N 3.08Å
462L80.6Confident82.9Confident29 Ų2951 Ų5115%0.15227%0.273CS..Hα-helixtrans-63.9-41.6176.2-166.794.8000111.5R323 S458 Q459 E465 W466R323-L462 VanDerWaalsContact CA-CD2 3.47Å; S458-L462 WeakPolarHBondContact O-CB 3.44Å; S458-L462 PolarHBondContact O-N 2.79Å; Q459-L462 PolarHBondContact O-N 2.85Å; L462-E465 PolarHBondContact O-N 3.16Å; L462-W466 VanDerWaalsContact O-CD1 3.31Å; L462-W466 PolarHBondContact O-N 2.75Å; L462-W466 VanDerWaalsContact O-N 3.09Å
463A80.5Confident82.8Confident31 Ų3148.1 Ų48.126%0.25626%0.258SS..Hα-helixtrans-61.2-46.5175.300000111.5Q459 Q460 E465 W466 D467Q459-A463 WeakPolarHBondContact O-CB 3.44Å; Q459-A463 PolarHBondContact O-N 2.87Å; Q460-A463 PolarHBondContact O-N 2.93Å; A463-E465 VanDerWaalsContact C-N 3.28Å; A463-E465 PolarHBondContact O-N 2.83Å; A463-W466 PolarHBondContact O-N 3.04Å; A463-D467 WeakPolarHBondContact O-CB 3.27Å; A463-D467 PolarHBondContact O-N 2.88Å
464L81.1Confident82.8Confident62 Ų6243.3 Ų43.333%0.32523%0.232SC..Hα-helixtrans-61.3-35.7176.3-168.972.1000112.4P347 L350 Q460 L461 C468P347-L464 HydrophobicContact CG-CD2 4.3Å; L350-L464 HydrophobicContact CD1-CB 4.17Å; L350-L464 HydrophobicContact CD1-CD2 3.61Å; L350-L464 HydrophobicContact CD1-CG 3.59Å; L350-L464 HydrophobicContact CG-CD2 4.26Å; Q460-L464 WeakPolarHBondContact O-CB 3.45Å; Q460-L464 PolarHBondContact O-N 3.28Å; L461-L464 PolarHBondContact O-N 2.84Å; L464-C468 VanDerWaalsContact O-CB 3.32Å; L464-C468 WeakPolarHBondContact O-CB 3.4Å; L464-C468 PolarHBondContact O-N 3.28Å
465E81.6Confident82.9Confident27 Ų2746 Ų4613%0.12623%0.231CC..Hα-helixtrans-64.2-49.4175.9-162-176.8179.500111.1I326 R331 F335 L350 L461 L462 A463 C468 V469I326-E465 HydrophobicContact CD1-CB 4.2Å; I326-E465 HydrophobicContact CD1-CG 3.54Å; R331-E465 WeakPolarHBondContact CD-OE1 3.42Å; F335-E465 HydrophobicContact CE2-CG 4.15Å; F335-E465 HydrophobicContact CZ-CG 4.05Å; L350-E465 HydrophobicContact CD2-CB 3.96Å; L350-E465 HydrophobicContact CD2-CG 3.86Å; L461-E465 PolarHBondContact O-N 3.08Å; L462-E465 PolarHBondContact O-N 3.16Å; A463-E465 VanDerWaalsContact C-N 3.28Å; A463-E465 PolarHBondContact O-N 2.83Å; E465-C468 PolarHBondContact O-N 3.03Å; E465-V469 WeakPolarHBondContact O-CG2 3.16Å; E465-V469 PolarHBondContact O-N 2.83Å
466W83Confident83.1Confident16 Ų1643.4 Ų43.46%0.06122%0.221CC..Hα-helixtrans-64.8-38.4176.9-81.1108.4000113.1I316 Q319 A320 K324 I326 L462 A463 C468 V469 A470I316-W466 HydrophobicContact CG2-CE3 3.64Å; I316-W466 HydrophobicContact CG2-CH2 4.48Å; I316-W466 HydrophobicContact CG2-CZ3 3.4Å; Q319-W466 HydrophobicContact CB-CH2 4.36Å; Q319-W466 HydrophobicContact CB-CZ2 4.1Å; A320-W466 HydrophobicContact CB-CB 3.68Å; A320-W466 HydrophobicContact CB-CG 3.84Å; K324-W466 PolarHBondContact O-NE1 3.38Å; I326-W466 HydrophobicContact CB-CZ2 4.5Å; I326-W466 HydrophobicContact CD1-CD2 4.04Å; I326-W466 HydrophobicContact CD1-CE3 4.29Å; I326-W466 HydrophobicContact CD1-CG 4.35Å; I326-W466 HydrophobicContact CG1-CD2 3.83Å; I326-W466 VanDerWaalsContact CG1-CE2 3.5Å; I326-W466 HydrophobicContact CG1-CE3 4.05Å; I326-W466 HydrophobicContact CG1-CH2 3.76Å; I326-W466 HydrophobicContact CG1-CZ2 3.5Å; I326-W466 HydrophobicContact CG1-CZ3 3.99Å; L462-W466 VanDerWaalsContact O-CD1 3.31Å; L462-W466 PolarHBondContact O-N 2.75Å; L462-W466 VanDerWaalsContact O-N 3.09Å; A463-W466 PolarHBondContact O-N 3.04Å; W466-C468 VanDerWaalsContact C-N 3.31Å; W466-C468 PolarHBondContact O-N 2.96Å; W466-V469 HydrophobicContact CE3-CG1 4.48Å; W466-V469 PolarHBondContact O-N 3.42Å; W466-A470 VanDerWaalsContact O-CB 3.31Å; W466-A470 WeakPolarHBondContact O-CB 3.09Å; W466-A470 PolarHBondContact O-N 3.28Å
467D81.3Confident83.4Confident29 Ų2940.2 Ų40.216%0.15521%0.207CC..Hα-helixtrans-63.1-40174.9-69.1-30.3000111.2T253 A463 T471T253-D467 WeakPolarHBondContact CG2-OD2 3.46Å; A463-D467 WeakPolarHBondContact O-CB 3.27Å; A463-D467 PolarHBondContact O-N 2.88Å; D467-T471 WeakPolarHBondContact O-CB 3.39Å; D467-T471 PolarHBondContact O-N 2.96Å; D467-T471 PolarHBondContact O-OG1 2.99Å
468C81.6Confident83.8Confident12 Ų1236.1 Ų36.18%0.08119%0.188CC..Hα-helixtrans-66.6-45.8175.7-169.60000111.3L464 E465 W466 A470 T471 I472L464-C468 VanDerWaalsContact O-CB 3.32Å; L464-C468 WeakPolarHBondContact O-CB 3.4Å; L464-C468 PolarHBondContact O-N 3.28Å; E465-C468 PolarHBondContact O-N 3.03Å; W466-C468 VanDerWaalsContact C-N 3.31Å; W466-C468 PolarHBondContact O-N 2.96Å; C468-A470 VanDerWaalsContact C-N 3.34Å; C468-A470 PolarHBondContact O-N 3.41Å; C468-T471 PolarHBondContact O-N 2.94Å; C468-I472 WeakPolarHBondContact O-CD1 3.43Å; C468-I472 VanDerWaalsContact O-CG1 3.25Å; C468-I472 WeakPolarHBondContact O-CG1 3.31Å; C468-I472 PolarHBondContact O-N 2.84Å
469V83.4Confident84.2Confident2 Ų237.5 Ų37.51%0.01219%0.19CC..Hα-helixtrans-56.9-49175.1163.50000110.9I326 I334 F335 E465 W466 T471 I472 I473I326-V469 HydrophobicContact CD1-CG2 3.69Å; I334-V469 HydrophobicContact CD1-CB 4.36Å; I334-V469 HydrophobicContact CD1-CG1 3.43Å; I334-V469 VanDerWaalsContact CD1-CG1 3.43Å; I334-V469 HydrophobicContact CD1-CG2 4.1Å; I334-V469 HydrophobicContact CG2-CB 4.39Å; I334-V469 HydrophobicContact CG2-CG1 4.38Å; I334-V469 HydrophobicContact CG2-CG2 3.99Å; F335-V469 HydrophobicContact CE2-CG2 4.06Å; F335-V469 HydrophobicContact CZ-CG2 4.1Å; E465-V469 WeakPolarHBondContact O-CG2 3.16Å; E465-V469 PolarHBondContact O-N 2.83Å; W466-V469 HydrophobicContact CE3-CG1 4.48Å; W466-V469 PolarHBondContact O-N 3.42Å; V469-T471 PolarHBondContact O-N 3.39Å; V469-I472 PolarHBondContact O-N 3.2Å; V469-I473 HydrophobicContact CG1-CD1 3.75Å; V469-I473 HydrophobicContact CG1-CG1 4.48Å; V469-I473 WeakPolarHBondContact O-CG1 3.33Å; V469-I473 PolarHBondContact O-N 3.06Å
470A84.4Confident84.8Confident0 Ų037.9 Ų37.90%020%0.197CC..Hα-helixtrans-65.4-41.2-179.400000111.7V313 Q317 W466 C468 I472 I473 E474V313-A470 HydrophobicContact CG1-CB 3.95Å; Q317-A470 HydrophobicContact CG-CB 3.25Å; W466-A470 VanDerWaalsContact O-CB 3.31Å; W466-A470 WeakPolarHBondContact O-CB 3.09Å; W466-A470 PolarHBondContact O-N 3.28Å; C468-A470 VanDerWaalsContact C-N 3.34Å; C468-A470 PolarHBondContact O-N 3.41Å; A470-I472 VanDerWaalsContact C-N 3.3Å; A470-I472 PolarHBondContact O-N 3.06Å; A470-I473 PolarHBondContact O-N 3.3Å; A470-E474 WeakPolarHBondContact O-CB 3.47Å; A470-E474 VanDerWaalsContact O-CG 3.29Å; A470-E474 WeakPolarHBondContact O-CG 3.39Å; A470-E474 PolarHBondContact O-N 3.28Å
471T83.8Confident85.3Confident24 Ų2432.9 Ų32.915%0.14717%0.173CC..Hα-helixtrans-59.3-40.5173.5-60.10000111.9P250 I344 D467 C468 V469 R475P250-T471 HydrophobicContact CB-CG2 4.12Å; I344-T471 HydrophobicContact CD1-CG2 4.22Å; D467-T471 WeakPolarHBondContact O-CB 3.39Å; D467-T471 PolarHBondContact O-N 2.96Å; D467-T471 PolarHBondContact O-OG1 2.99Å; C468-T471 PolarHBondContact O-N 2.94Å; V469-T471 PolarHBondContact O-N 3.39Å; T471-R475 WeakPolarHBondContact O-CB 3.42Å; T471-R475 WeakPolarHBondContact O-CG 3.3Å; T471-R475 PolarHBondContact O-N 2.9Å
472I84.6Confident85.8Confident0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-63.6-48175.6-66.8160.9000109.8I334 F335 L338 A339 I344 C468 V469 A470 R475 T476I334-I472 HydrophobicContact CG2-CB 4.09Å; I334-I472 HydrophobicContact CG2-CD1 3.62Å; I334-I472 HydrophobicContact CG2-CG1 4.46Å; I334-I472 HydrophobicContact CG2-CG2 3.96Å; F335-I472 HydrophobicContact CD1-CD1 4.34Å; F335-I472 HydrophobicContact CE1-CD1 4.28Å; L338-I472 HydrophobicContact CB-CG2 3.6Å; A339-I472 HydrophobicContact CB-CD1 4.02Å; I344-I472 HydrophobicContact CD1-CB 4.13Å; I344-I472 HydrophobicContact CD1-CG1 3.54Å; C468-I472 WeakPolarHBondContact O-CD1 3.43Å; C468-I472 VanDerWaalsContact O-CG1 3.25Å; C468-I472 WeakPolarHBondContact O-CG1 3.31Å; C468-I472 PolarHBondContact O-N 2.84Å; V469-I472 PolarHBondContact O-N 3.2Å; A470-I472 VanDerWaalsContact C-N 3.3Å; A470-I472 PolarHBondContact O-N 3.06Å; I472-R475 PolarHBondContact O-N 2.96Å; I472-T476 HydrophobicContact CG2-CG2 4.3Å; I472-T476 WeakPolarHBondContact O-CG2 3.48Å; I472-T476 PolarHBondContact O-N 3.14Å; I472-T476 PolarHBondContact O-OG1 2.86Å
473I86.5Confident86.4Confident35 Ų3536.1 Ų36.118%0.17919%0.185CC..Hα-helixtrans-59.4-50177.7-66.4167.5000110.3V313 V469 A470 R475 T476 L477V313-I473 HydrophobicContact CG2-CG2 3.77Å; V469-I473 HydrophobicContact CG1-CD1 3.75Å; V469-I473 HydrophobicContact CG1-CG1 4.48Å; V469-I473 WeakPolarHBondContact O-CG1 3.33Å; V469-I473 PolarHBondContact O-N 3.06Å; A470-I473 PolarHBondContact O-N 3.3Å; I473-R475 PolarHBondContact O-N 3.4Å; I473-T476 WeakPolarHBondContact CA-OG1 3.41Å; I473-T476 PolarHBondContact O-N 2.94Å; I473-T476 VanDerWaalsContact O-N 3.12Å; I473-T476 PolarHBondContact O-OG1 3.2Å; I473-L477 HydrophobicContact CG2-CD1 3.83Å; I473-L477 HydrophobicContact CG2-CG 4.21Å; I473-L477 WeakPolarHBondContact O-CG 3.44Å; I473-L477 PolarHBondContact O-N 2.94Å
474E88.2Confident87Confident1 Ų138.5 Ų38.51%0.00519%0.193CC..Hα-helixtrans-57.3-47.3179.9-72.3179.1157.500112P250 T251 K260 V313 A470 T476 L477 M478P250-E474 WeakPolarHBondContact CA-OE2 3.49Å; T251-E474 PolarHBondContact N-OE2 3.34Å; K260-E474 IonicContact NZ-OE1 2.61Å; K260-E474 PolarHBondContact NZ-OE1 3.46Å; K260-E474 IonicContact NZ-OE2 3.22Å; K260-E474 PolarHBondContact NZ-OE2 3.34Å; V313-E474 HydrophobicContact CB-CG 4.5Å; V313-E474 HydrophobicContact CG1-CG 3.69Å; V313-E474 WeakPolarHBondContact CG1-OE1 3.45Å; V313-E474 HydrophobicContact CG2-CG 4.47Å; A470-E474 WeakPolarHBondContact O-CB 3.47Å; A470-E474 VanDerWaalsContact O-CG 3.29Å; A470-E474 WeakPolarHBondContact O-CG 3.39Å; A470-E474 PolarHBondContact O-N 3.28Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.32Å; E474-L477 PolarHBondContact O-N 2.88Å; E474-M478 WeakPolarHBondContact O-CB 3.26Å; E474-M478 PolarHBondContact O-N 3.02Å
475R87.5Confident87.5Confident91 Ų9135.6 Ų35.634%0.34318%0.177SC..Hα-helixtrans-66.8-34.5177.9-71.4-160-166.7-177.3-6.2112.9V342 I344 T471 I472 I473 I479V342-R475 HydrophobicContact CG1-CB 3.28Å; V342-R475 HydrophobicContact CG1-CG 4.21Å; I344-R475 HydrophobicContact CD1-CB 4.4Å; I344-R475 HydrophobicContact CD1-CG 4.32Å; I344-R475 VanDerWaalsContact CG1-NH1 3.31Å; T471-R475 WeakPolarHBondContact O-CB 3.42Å; T471-R475 WeakPolarHBondContact O-CG 3.3Å; T471-R475 PolarHBondContact O-N 2.9Å; I472-R475 PolarHBondContact O-N 2.96Å; I473-R475 PolarHBondContact O-N 3.4Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.09Å; R475-I479 VanDerWaalsContact O-N 3.16Å
476T87.2Confident88Confident24 Ų2437.9 Ų37.915%0.14719%0.19CC..Hα-helixtrans-66.4-43.9175.1640000111.2L338 V342 I472 I473 E474 I479 V480L338-T476 HydrophobicContact CB-CG2 4.26Å; L338-T476 HydrophobicContact CD2-CG2 3.51Å; L338-T476 HydrophobicContact CG-CG2 4.44Å; V342-T476 HydrophobicContact CB-CG2 4.45Å; V342-T476 HydrophobicContact CG2-CG2 3.31Å; I472-T476 HydrophobicContact CG2-CG2 4.3Å; I472-T476 WeakPolarHBondContact O-CG2 3.48Å; I472-T476 PolarHBondContact O-N 3.14Å; I472-T476 PolarHBondContact O-OG1 2.86Å; I473-T476 WeakPolarHBondContact CA-OG1 3.41Å; I473-T476 PolarHBondContact O-N 2.94Å; I473-T476 VanDerWaalsContact O-N 3.12Å; I473-T476 PolarHBondContact O-OG1 3.2Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.32Å; T476-I479 PolarHBondContact O-N 3.16Å; T476-V480 WeakPolarHBondContact O-CG2 3.44Å; T476-V480 PolarHBondContact O-N 2.85Å; T476-V480 VanDerWaalsContact O-N 3.12Å
477L91Very high88.4Confident32 Ų3240.8 Ų40.817%0.16821%0.206CC..Hα-helixtrans-63.8-43.3175.6-67.1177.3000110.8F248 L309 V313 I473 E474 I479 V480 F481F248-L477 HydrophobicContact CD1-CB 3.83Å; F248-L477 HydrophobicContact CE1-CB 3.45Å; F248-L477 VanDerWaalsContact CE1-CB 3.45Å; F248-L477 HydrophobicContact CE1-CD1 3.9Å; F248-L477 HydrophobicContact CE1-CG 4.32Å; F248-L477 HydrophobicContact CZ-CB 3.84Å; L309-L477 HydrophobicContact CB-CD1 4.15Å; L309-L477 HydrophobicContact CD1-CD1 4.24Å; L309-L477 HydrophobicContact CD1-CD2 3.91Å; V313-L477 HydrophobicContact CG2-CD1 4.18Å; I473-L477 HydrophobicContact CG2-CD1 3.83Å; I473-L477 HydrophobicContact CG2-CG 4.21Å; I473-L477 WeakPolarHBondContact O-CG 3.44Å; I473-L477 PolarHBondContact O-N 2.94Å; E474-L477 PolarHBondContact O-N 2.88Å; L477-I479 VanDerWaalsContact C-N 3.35Å; L477-I479 PolarHBondContact O-N 2.9Å; L477-V480 PolarHBondContact O-N 2.82Å; L477-V480 VanDerWaalsContact O-N 3.16Å; L477-F481 HydrophobicContact CB-CD2 4.43Å; L477-F481 HydrophobicContact CD2-CE2 4.34Å; L477-F481 WeakPolarHBondContact O-CB 3.37Å; L477-F481 VanDerWaalsContact O-CD2 3.27Å; L477-F481 WeakPolarHBondContact O-CD2 3.32Å; L477-F481 PolarHBondContact O-N 3.05Å
478M90.4Very high88.8Confident40 Ų4041 Ų4120%0.19721%0.209CC..Hα-helixtrans-52.6-50.7175.3-170.4-173.768.100111.9F245 F248 E474 V480 F481 I482F245-M478 HydrophobicContact CD1-SD 3.81Å; F245-M478 HydrophobicContact CE1-SD 4.03Å; F248-M478 HydrophobicContact CB-CB 3.65Å; F248-M478 HydrophobicContact CB-CG 4Å; F248-M478 HydrophobicContact CD2-CB 4.08Å; F248-M478 HydrophobicContact CD2-CG 4.43Å; F248-M478 HydrophobicContact CG-CB 4.04Å; E474-M478 WeakPolarHBondContact O-CB 3.26Å; E474-M478 PolarHBondContact O-N 3.02Å; M478-V480 PolarHBondContact O-N 2.89Å; M478-F481 PolarHBondContact O-N 3.11Å; M478-I482 HydrophobicContact CG-CD1 3.69Å; M478-I482 HydrophobicContact CG-CG1 4.48Å; M478-I482 WeakPolarHBondContact O-CB 3.46Å; M478-I482 WeakPolarHBondContact O-CG1 3.43Å; M478-I482 PolarHBondContact O-N 2.95Å
479I89.4Confident89.1Confident92 Ų9241.5 Ų41.547%0.47221%0.21SC..Hα-helixtrans-62.7-44.2179.9-66.1165.8000110.8V342 R475 T476 L477 F483V342-I479 HydrophobicContact CG2-CD1 4.48Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.09Å; R475-I479 VanDerWaalsContact O-N 3.16Å; T476-I479 PolarHBondContact O-N 3.16Å; L477-I479 VanDerWaalsContact C-N 3.35Å; L477-I479 PolarHBondContact O-N 2.9Å; I479-F483 WeakPolarHBondContact O-CB 3.4Å; I479-F483 PolarHBondContact O-N 2.61Å
480V91.7Very high89.3Confident76 Ų7644.9 Ų44.946%0.46123%0.231SC..Hα-helixtrans-62.7-48.9179.4170.60000111.1T476 L477 M478 F483 L484T476-V480 WeakPolarHBondContact O-CG2 3.44Å; T476-V480 PolarHBondContact O-N 2.85Å; T476-V480 VanDerWaalsContact O-N 3.12Å; L477-V480 PolarHBondContact O-N 2.82Å; L477-V480 VanDerWaalsContact O-N 3.16Å; M478-V480 PolarHBondContact O-N 2.89Å; V480-F483 PolarHBondContact O-N 2.71Å; V480-L484 HydrophobicContact CG1-CD1 3.87Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.44Å; V480-L484 VanDerWaalsContact O-CG 3.29Å; V480-L484 WeakPolarHBondContact O-CG 3.4Å; V480-L484 PolarHBondContact O-N 2.83Å
481F93.3Very high89.5Confident6 Ų648 Ų483%0.02625%0.253CS..Hα-helixtrans-70.6-35.2-177.7-85.2-100.1000113.1L244 F248 L302 F305 A306 L309 L477 M478 F483 L484 S485L244-F481 HydrophobicContact CD2-CB 4.08Å; L244-F481 HydrophobicContact CD2-CD1 4.35Å; F248-F481 HydrophobicContact CE2-CB 3.74Å; F248-F481 HydrophobicContact CE2-CD1 4.38Å; F248-F481 AromaticContact CE2-CD2 3.88Å; F248-F481 HydrophobicContact CE2-CD2 3.88Å; F248-F481 AromaticContact CE2-CG 3.75Å; F248-F481 HydrophobicContact CE2-CG 3.75Å; F248-F481 HydrophobicContact CZ-CB 4.39Å; F248-F481 HydrophobicContact CZ-CD1 4.46Å; F248-F481 AromaticContact CZ-CD2 3.66Å; F248-F481 HydrophobicContact CZ-CD2 3.66Å; F248-F481 AromaticContact CZ-CE2 3.91Å; F248-F481 HydrophobicContact CZ-CE2 3.91Å; F248-F481 AromaticContact CZ-CG 3.92Å; F248-F481 HydrophobicContact CZ-CG 3.92Å; F248-F481 HydrophobicContact CZ-CZ 4.39Å; L302-F481 HydrophobicContact CD2-CD1 3.84Å; L302-F481 HydrophobicContact CG-CD1 3.95Å; L302-F481 HydrophobicContact CG-CE1 4.4Å; L302-F481 WeakPolarHBondContact O-CE1 3.31Å; F305-F481 HydrophobicContact CB-CE1 4.31Å; F305-F481 HydrophobicContact CB-CZ 4.4Å; F305-F481 AromaticContact CD1-CE1 3.84Å; F305-F481 HydrophobicContact CD1-CE1 3.84Å; F305-F481 HydrophobicContact CD1-CE2 4.32Å; F305-F481 AromaticContact CD1-CZ 3.3Å; F305-F481 HydrophobicContact CD1-CZ 3.3Å; F305-F481 HydrophobicContact CE1-CE2 4.47Å; F305-F481 AromaticContact CE1-CZ 3.83Å; F305-F481 HydrophobicContact CE1-CZ 3.83Å; F305-F481 HydrophobicContact CG-CZ 4.15Å; A306-F481 HydrophobicContact CB-CD1 3.89Å; A306-F481 HydrophobicContact CB-CE1 3.68Å; A306-F481 HydrophobicContact CB-CZ 4.24Å; L309-F481 HydrophobicContact CD1-CE2 3.5Å; L309-F481 VanDerWaalsContact CD1-CE2 3.5Å; L309-F481 HydrophobicContact CD1-CZ 3.56Å; L477-F481 HydrophobicContact CB-CD2 4.43Å; L477-F481 HydrophobicContact CD2-CE2 4.34Å; L477-F481 WeakPolarHBondContact O-CB 3.37Å; L477-F481 VanDerWaalsContact O-CD2 3.27Å; L477-F481 WeakPolarHBondContact O-CD2 3.32Å; L477-F481 PolarHBondContact O-N 3.05Å; M478-F481 PolarHBondContact O-N 3.11Å; F481-F483 VanDerWaalsContact C-N 3.34Å; F481-L484 PolarHBondContact O-N 2.72Å; F481-S485 WeakPolarHBondContact O-CB 3.25Å; F481-S485 PolarHBondContact O-N 3.18Å
482I91.6Very high89.6Confident29 Ų2948.3 Ų48.315%0.14925%0.253CS..Hα-helixtrans-63.5-43.8172.8-71.8170.4000110.2F241 L244 F245 M478 S485 L486F241-I482 HydrophobicContact CE1-CG2 4.4Å; L244-I482 HydrophobicContact CB-CG1 4.39Å; L244-I482 HydrophobicContact CD1-CG1 4.43Å; F245-I482 HydrophobicContact CD1-CD1 4.25Å; F245-I482 HydrophobicContact CD2-CD1 4.45Å; F245-I482 HydrophobicContact CE1-CD1 3.67Å; F245-I482 HydrophobicContact CE2-CD1 3.88Å; F245-I482 HydrophobicContact CZ-CD1 3.46Å; F245-I482 VanDerWaalsContact CZ-CD1 3.46Å; M478-I482 HydrophobicContact CG-CD1 3.69Å; M478-I482 HydrophobicContact CG-CG1 4.48Å; M478-I482 WeakPolarHBondContact O-CB 3.46Å; M478-I482 WeakPolarHBondContact O-CG1 3.43Å; M478-I482 PolarHBondContact O-N 2.95Å; I482-S485 PolarHBondContact O-N 2.9Å; I482-L486 HydrophobicContact CG2-CD1 4Å; I482-L486 WeakPolarHBondContact O-CB 3.29Å; I482-L486 WeakPolarHBondContact O-CG 3.26Å; I482-L486 PolarHBondContact O-N 2.92Å
483F92Very high89.6Confident130 Ų13050 Ų5057%0.5726%0.263SS*.Hα-helixtrans-65.1-44.2177.8-173.1-107000111.9I479 V480 F481 S485 L486 I487I479-F483 WeakPolarHBondContact O-CB 3.4Å; I479-F483 PolarHBondContact O-N 2.61Å; V480-F483 PolarHBondContact O-N 2.71Å; F481-F483 VanDerWaalsContact C-N 3.34Å; F483-S485 VanDerWaalsContact C-N 3.34Å; F483-S485 PolarHBondContact O-N 3.05Å; F483-L486 PolarHBondContact O-N 3.29Å; F483-I487 HydrophobicContact CD1-CD1 3.56Å; F483-I487 HydrophobicContact CD1-CG1 4.48Å; F483-I487 HydrophobicContact CE1-CD1 3.19Å; F483-I487 HydrophobicContact CE1-CG1 4.24Å; F483-I487 HydrophobicContact CE2-CD1 4.41Å; F483-I487 HydrophobicContact CG-CD1 4.33Å; F483-I487 HydrophobicContact CZ-CD1 3.67Å; F483-I487 HydrophobicContact CZ-CG1 4.35Å; F483-I487 WeakPolarHBondContact O-CG1 3.45Å; F483-I487 PolarHBondContact O-N 2.7Å
484L92.7Very high89.6Confident80 Ų8052.3 Ų52.342%0.41928%0.279SS..Hα-helixtrans-59.1-45173.4-73.2171.7000111.5L302 V480 F481 L486 I487 V488L302-L484 HydrophobicContact CD1-CB 4.21Å; V480-L484 HydrophobicContact CG1-CD1 3.87Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.44Å; V480-L484 VanDerWaalsContact O-CG 3.29Å; V480-L484 WeakPolarHBondContact O-CG 3.4Å; V480-L484 PolarHBondContact O-N 2.83Å; F481-L484 PolarHBondContact O-N 2.72Å; L484-L486 PolarHBondContact O-N 3.06Å; L484-I487 PolarHBondContact O-N 3.1Å; L484-V488 WeakPolarHBondContact O-CG2 3.39Å; L484-V488 PolarHBondContact O-N 3.04Å
485S92.6Very high89.5Confident1 Ų157 Ų571%0.00730%0.298CS..Hα-helixtrans-61.3-44.6177.5-179.70000111.9N240 F481 I482 F483 I487 V488 I489N240-S485 PolarHBondContact ND2-OG 3.41Å; F481-S485 WeakPolarHBondContact O-CB 3.25Å; F481-S485 PolarHBondContact O-N 3.18Å; I482-S485 PolarHBondContact O-N 2.9Å; F483-S485 VanDerWaalsContact C-N 3.34Å; F483-S485 PolarHBondContact O-N 3.05Å; S485-I487 PolarHBondContact O-N 3.49Å; S485-V488 PolarHBondContact O-N 3.25Å; S485-I489 WeakPolarHBondContact O-CB 3.34Å; S485-I489 WeakPolarHBondContact O-CD1 3.1Å; S485-I489 WeakPolarHBondContact O-CG1 3.38Å; S485-I489 PolarHBondContact O-N 3.21Å
486L91.4Very high89.3Confident75 Ų7552.9 Ų52.939%0.39328%0.284SS..Hα-helixtrans-61.9-42.2175.8-77.9166.6000111.8F241 I482 F483 L484 T490F241-L486 HydrophobicContact CE1-CD2 3.99Å; F241-L486 HydrophobicContact CE1-CG 3.97Å; F241-L486 HydrophobicContact CZ-CD2 3.48Å; F241-L486 VanDerWaalsContact CZ-CD2 3.48Å; F241-L486 HydrophobicContact CZ-CG 3.92Å; I482-L486 HydrophobicContact CG2-CD1 4Å; I482-L486 WeakPolarHBondContact O-CB 3.29Å; I482-L486 WeakPolarHBondContact O-CG 3.26Å; I482-L486 PolarHBondContact O-N 2.92Å; F483-L486 PolarHBondContact O-N 3.29Å; L484-L486 PolarHBondContact O-N 3.06Å; L486-T490 WeakPolarHBondContact O-CB 3.41Å; L486-T490 VanDerWaalsContact O-CG2 3.26Å; L486-T490 WeakPolarHBondContact O-CG2 3.3Å; L486-T490 PolarHBondContact O-N 3.4Å; L486-T490 PolarHBondContact O-OG1 3.43Å
487I91.9Very high89Confident77 Ų7756 Ų5640%0.39530%0.298SS..Hα-helixtrans-62.3-46.2176.2-71.8168.6000110.7F483 L484 S485 T490 S491F483-I487 HydrophobicContact CD1-CD1 3.56Å; F483-I487 HydrophobicContact CD1-CG1 4.48Å; F483-I487 HydrophobicContact CE1-CD1 3.19Å; F483-I487 HydrophobicContact CE1-CG1 4.24Å; F483-I487 HydrophobicContact CE2-CD1 4.41Å; F483-I487 HydrophobicContact CG-CD1 4.33Å; F483-I487 HydrophobicContact CZ-CD1 3.67Å; F483-I487 HydrophobicContact CZ-CG1 4.35Å; F483-I487 WeakPolarHBondContact O-CG1 3.45Å; F483-I487 PolarHBondContact O-N 2.7Å; L484-I487 PolarHBondContact O-N 3.1Å; S485-I487 PolarHBondContact O-N 3.49Å; I487-T490 PolarHBondContact O-OG1 2.86Å; I487-S491 WeakPolarHBondContact O-CB 3.42Å; I487-S491 PolarHBondContact O-N 3.43Å
488V89.8Confident88.7Confident35 Ų3559.9 Ų59.921%0.21232%0.318CS..Hα-helixtrans-61.5-49.6179.8170.30000110.6L484 S485 I492L484-V488 WeakPolarHBondContact O-CG2 3.39Å; L484-V488 PolarHBondContact O-N 3.04Å; S485-V488 PolarHBondContact O-N 3.25Å; V488-I492 HydrophobicContact CG1-CD1 3.81Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.44Å; V488-I492 PolarHBondContact O-N 2.97Å; V488-I492 VanDerWaalsContact O-N 3.08Å
489I87.9Confident88.1Confident21 Ų2162.1 Ų62.111%0.10833%0.327CS..Hα-helixtrans-60.6-51.2179.6-65.3162.3000110.4A237 F241 F295 S485 V493A237-I489 HydrophobicContact CB-CD1 4.3Å; F241-I489 HydrophobicContact CE2-CD1 3.87Å; F241-I489 HydrophobicContact CZ-CD1 3.86Å; F295-I489 HydrophobicContact CE2-CG1 4.04Å; S485-I489 WeakPolarHBondContact O-CB 3.34Å; S485-I489 WeakPolarHBondContact O-CD1 3.1Å; S485-I489 WeakPolarHBondContact O-CG1 3.38Å; S485-I489 PolarHBondContact O-N 3.21Å; I489-V493 WeakPolarHBondContact O-CB 3.04Å; I489-V493 VanDerWaalsContact O-CG2 3.27Å; I489-V493 WeakPolarHBondContact O-CG2 3.47Å; I489-V493 PolarHBondContact O-N 2.76Å; I489-V493 VanDerWaalsContact O-N 3.07Å
490T88.2Confident87.2Confident74 Ų7458.1 Ų58.145%0.45431%0.308SS..Hα-helixtrans-67.5-42.4-176.854.70000111.9L486 I487 I492 T494L486-T490 WeakPolarHBondContact O-CB 3.41Å; L486-T490 VanDerWaalsContact O-CG2 3.26Å; L486-T490 WeakPolarHBondContact O-CG2 3.3Å; L486-T490 PolarHBondContact O-N 3.4Å; L486-T490 PolarHBondContact O-OG1 3.43Å; I487-T490 PolarHBondContact O-OG1 2.86Å; T490-I492 PolarHBondContact O-N 2.6Å; T490-T494 VanDerWaalsContact O-CB 3.24Å; T490-T494 WeakPolarHBondContact O-CB 3.28Å; T490-T494 WeakPolarHBondContact O-CG2 3.4Å; T490-T494 PolarHBondContact O-N 3.39Å; T490-T494 PolarHBondContact O-OG1 3.48Å
491S88.2Confident86.2Confident66 Ų6658.7 Ų58.746%0.46232%0.315SS..Hα-helixtrans-63.1-43179.4-175.10000111.7I487 T494 Y495I487-S491 WeakPolarHBondContact O-CB 3.42Å; I487-S491 PolarHBondContact O-N 3.43Å; S491-T494 PolarHBondContact O-OG1 2.92Å; S491-Y495 WeakPolarHBondContact O-CB 3.35Å; S491-Y495 PolarHBondContact O-N 3.04Å
492I85.3Confident84.9Confident30 Ų3064.6 Ų64.615%0.15434%0.341CS..Hα-helixtrans-73.1-42.8-177.6-63.5171000110.9F291 F295 V488 T490 G496F291-I492 HydrophobicContact CB-CG2 4.49Å; F295-I492 HydrophobicContact CB-CD1 3.92Å; F295-I492 HydrophobicContact CB-CG2 4.17Å; F295-I492 HydrophobicContact CD2-CD1 4.25Å; V488-I492 HydrophobicContact CG1-CD1 3.81Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.44Å; V488-I492 PolarHBondContact O-N 2.97Å; V488-I492 VanDerWaalsContact O-N 3.08Å; T490-I492 PolarHBondContact O-N 2.6Å; I492-G496 PolarHBondContact O-N 3.3Å
493V84Confident83.5Confident35 Ų3566 Ų6621%0.21235%0.348CS..Hα-helixtrans-65.8-46.8178.2174.60000110.9I233 I489 G496 M497I233-V493 HydrophobicContact CG2-CG2 4.39Å; I489-V493 WeakPolarHBondContact O-CB 3.04Å; I489-V493 VanDerWaalsContact O-CG2 3.27Å; I489-V493 WeakPolarHBondContact O-CG2 3.47Å; I489-V493 PolarHBondContact O-N 2.76Å; I489-V493 VanDerWaalsContact O-N 3.07Å; V493-G496 PolarHBondContact O-N 2.82Å; V493-M497 HydrophobicContact CG1-CG 4.42Å; V493-M497 HydrophobicContact CG1-SD 4.1Å; V493-M497 WeakPolarHBondContact O-CB 3.34Å; V493-M497 VanDerWaalsContact O-CG 3.26Å; V493-M497 WeakPolarHBondContact O-CG 3.36Å; V493-M497 PolarHBondContact O-N 3.02Å
494T86.4Confident82Confident84 Ų8466.3 Ų66.352%0.51535%0.351SS..Hα-helixtrans-66.6-39.6179.255.80000112.3T490 S491 M497 L498T490-T494 VanDerWaalsContact O-CB 3.24Å; T490-T494 WeakPolarHBondContact O-CB 3.28Å; T490-T494 WeakPolarHBondContact O-CG2 3.4Å; T490-T494 PolarHBondContact O-N 3.39Å; T490-T494 PolarHBondContact O-OG1 3.48Å; S491-T494 PolarHBondContact O-OG1 2.92Å; T494-M497 PolarHBondContact O-N 2.91Å; T494-L498 VanDerWaalsContact O-CB 3.24Å; T494-L498 WeakPolarHBondContact O-CB 3.34Å; T494-L498 PolarHBondContact O-N 3Å
495Y86.8Confident80.5Confident99 Ų9967 Ų6739%0.38835%0.351SS..Hα-helixtrans-64.3-46175.5-173.1-86.3000111.4Y149 F291 S491 L498 K499Y149-Y495 HydrophobicContact CE1-CE1 4.04Å; F291-Y495 HydrophobicContact CD1-CD1 4.22Å; F291-Y495 HydrophobicContact CD2-CD1 4.48Å; F291-Y495 HydrophobicContact CD2-CE1 4.45Å; F291-Y495 AromaticContact CE1-CD1 3.67Å; F291-Y495 HydrophobicContact CE1-CD1 3.67Å; F291-Y495 AromaticContact CE1-CE1 3.64Å; F291-Y495 HydrophobicContact CE1-CE1 3.64Å; F291-Y495 AromaticContact CE2-CD1 4Å; F291-Y495 HydrophobicContact CE2-CD1 4Å; F291-Y495 AromaticContact CE2-CE1 3.56Å; F291-Y495 HydrophobicContact CE2-CE1 3.56Å; F291-Y495 AromaticContact CZ-CD1 3.59Å; F291-Y495 HydrophobicContact CZ-CD1 3.59Å; F291-Y495 AromaticContact CZ-CE1 3.1Å; F291-Y495 HydrophobicContact CZ-CE1 3.1Å; S491-Y495 WeakPolarHBondContact O-CB 3.35Å; S491-Y495 PolarHBondContact O-N 3.04Å; Y495-L498 PolarHBondContact O-N 2.69Å; Y495-K499 HydrophobicContact CD1-CG 4.46Å; Y495-K499 HydrophobicContact CE1-CB 4.38Å; Y495-K499 HydrophobicContact CE1-CG 3.95Å; Y495-K499 HydrophobicContact CE2-CG 4.28Å; Y495-K499 WeakPolarHBondContact O-CB 3.48Å; Y495-K499 PolarHBondContact O-N 3.38Å
496G82.4Confident79Confident5 Ų569.1 Ų69.15%0.05237%0.365CS..Hα-helixtrans-59.4-45.7175.800000112.1I492 V493 G500I492-G496 PolarHBondContact O-N 3.3Å; V493-G496 PolarHBondContact O-N 2.82Å; G496-G500 VanDerWaalsContact O-CA 3.31Å; G496-G500 WeakPolarHBondContact O-CA 3.46Å; G496-G500 PolarHBondContact O-N 3.27Å
497M82.9Confident77.3Confident90 Ų9073.1 Ų73.144%0.44339%0.387SS..Hα-helixtrans-62.7-48.3175.8-75-175.477.200112.3F152 V493 T494 S501F152-M497 HydrophobicContact CD1-CG 4.01Å; F152-M497 HydrophobicContact CD2-CG 4.09Å; F152-M497 HydrophobicContact CE1-CE 4.47Å; F152-M497 HydrophobicContact CE1-CG 3.49Å; F152-M497 VanDerWaalsContact CE1-CG 3.49Å; F152-M497 HydrophobicContact CE1-SD 4.36Å; F152-M497 HydrophobicContact CE2-CG 3.57Å; F152-M497 HydrophobicContact CG-CG 4.29Å; F152-M497 HydrophobicContact CZ-CG 3.24Å; F152-M497 HydrophobicContact CZ-SD 4.08Å; V493-M497 HydrophobicContact CG1-CG 4.42Å; V493-M497 HydrophobicContact CG1-SD 4.1Å; V493-M497 WeakPolarHBondContact O-CB 3.34Å; V493-M497 VanDerWaalsContact O-CG 3.26Å; V493-M497 WeakPolarHBondContact O-CG 3.36Å; V493-M497 PolarHBondContact O-N 3.02Å; T494-M497 PolarHBondContact O-N 2.91Å; M497-S501 VanDerWaalsContact O-CB 3.26Å; M497-S501 WeakPolarHBondContact O-CB 3.44Å; M497-S501 PolarHBondContact O-N 2.92Å; M497-S501 VanDerWaalsContact O-N 3.1Å; M497-S501 PolarHBondContact O-OG 3.17Å
498L83Confident75.6Confident113 Ų11374.9 Ų74.959%0.59240%0.397SS*.Hα-helixtrans-67.4-46.5-173.9-166.7118.7000110.9T494 Y495 F502T494-L498 VanDerWaalsContact O-CB 3.24Å; T494-L498 WeakPolarHBondContact O-CB 3.34Å; T494-L498 PolarHBondContact O-N 3Å; Y495-L498 PolarHBondContact O-N 2.69Å; L498-F502 HydrophobicContact CG-CE2 4.44Å; L498-F502 WeakPolarHBondContact O-CD2 3.43Å; L498-F502 WeakPolarHBondContact O-CE2 3.29Å
499K79Confident73.9Confident87 Ų8775 Ų7538%0.37839%0.394SS..Hα-helixtrans-78.6-37.4-179.7-76.8-72.5-174.5177.80113.4Y149 Y495 S501 F502Y149-K499 HydrophobicContact CD1-CB 3.83Å; Y149-K499 HydrophobicContact CE1-CB 3.33Å; Y149-K499 HydrophobicContact CE1-CG 4.12Å; Y495-K499 HydrophobicContact CD1-CG 4.46Å; Y495-K499 HydrophobicContact CE1-CB 4.38Å; Y495-K499 HydrophobicContact CE1-CG 3.95Å; Y495-K499 HydrophobicContact CE2-CG 4.28Å; Y495-K499 WeakPolarHBondContact O-CB 3.48Å; Y495-K499 PolarHBondContact O-N 3.38Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.14Å; K499-F502 PolarHBondContact O-N 3.31Å
500G70.8Confident71.5Confident7 Ų785.7 Ų85.77%0.07244%0.443CS..Hα-helixtrans-65.8-31.1178.100000113.3F152 G496 F502F152-G500 CarbonylContact O-C 3.37Å; F152-G500 WeakPolarHBondContact O-CA 3.07Å; G496-G500 VanDerWaalsContact O-CA 3.31Å; G496-G500 WeakPolarHBondContact O-CA 3.46Å; G496-G500 PolarHBondContact O-N 3.27Å; G500-F502 VanDerWaalsContact C-N 3.28Å; G500-F502 PolarHBondContact O-N 2.9Å
501S69.7Low70.7Confident88 Ų8886.3 Ų86.362%0.61544%0.443SS*.THydrogen-bonded Turntrans-71.3-19.7177.6-59.40000113.9M497 K499 I503M497-S501 VanDerWaalsContact O-CB 3.26Å; M497-S501 WeakPolarHBondContact O-CB 3.44Å; M497-S501 PolarHBondContact O-N 2.92Å; M497-S501 VanDerWaalsContact O-N 3.1Å; M497-S501 PolarHBondContact O-OG 3.17Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.14Å; S501-I503 PolarHBondContact O-N 2.66Å
502F65.3Low69.7Low131 Ų13187.4 Ų87.458%0.57544%0.442SS*.SBendtrans-87.3106.8176.5-71.6-71.8000110.2W154 L498 K499 G500 H504W154-F502 PolarHBondContact NE1-O 3.18Å; L498-F502 HydrophobicContact CG-CE2 4.44Å; L498-F502 WeakPolarHBondContact O-CD2 3.43Å; L498-F502 WeakPolarHBondContact O-CE2 3.29Å; K499-F502 PolarHBondContact O-N 3.31Å; G500-F502 VanDerWaalsContact C-N 3.28Å; G500-F502 PolarHBondContact O-N 2.9Å; F502-H504 PolarHBondContact O-N 3.36Å
503I62.5Low68.9Low57 Ų5790.6 Ų90.629%0.29246%0.458SS..  trans-72.9113.4172.1-55.7176.7000107.8W154 V194 S501 F505W154-I503 HydrophobicContact CD2-CG2 4.32Å; W154-I503 HydrophobicContact CE3-CG2 4.48Å; V194-I503 HydrophobicContact CG1-CD1 3.86Å; V194-I503 HydrophobicContact CG2-CD1 4.18Å; S501-I503 PolarHBondContact O-N 2.66Å; I503-F505 HydrophobicContact CB-CE2 4.43Å; I503-F505 HydrophobicContact CG2-CD1 4.31Å; I503-F505 HydrophobicContact CG2-CD2 4.3Å; I503-F505 HydrophobicContact CG2-CE1 3.98Å; I503-F505 HydrophobicContact CG2-CE2 3.96Å; I503-F505 HydrophobicContact CG2-CG 4.47Å; I503-F505 HydrophobicContact CG2-CZ 3.78Å
504H61Low68Low137 Ų13793.8 Ų93.863%0.63447%0.472SS*.  trans-92.4103.3169-85.7-64.5000108.5W154 F502W154-H504 WeakPolarHBondContact CH2-O 3.23Å; W154-H504 HydrophobicContact CZ2-CB 4Å; W154-H504 VanDerWaalsContact CZ2-O 3.24Å; W154-H504 WeakPolarHBondContact CZ2-O 3.48Å; F502-H504 PolarHBondContact O-N 3.36Å
505F61.8Low66.8Low94 Ų9494.4 Ų94.441%0.41247%0.469SS..  trans-66.4136.9171.4-62.5-82.1000109.2I220 I503 Y509I220-F505 HydrophobicContact CD1-CD1 3.6Å; I220-F505 HydrophobicContact CD1-CE1 3.41Å; I220-F505 VanDerWaalsContact CD1-CE1 3.41Å; I503-F505 HydrophobicContact CB-CE2 4.43Å; I503-F505 HydrophobicContact CG2-CD1 4.31Å; I503-F505 HydrophobicContact CG2-CD2 4.3Å; I503-F505 HydrophobicContact CG2-CE1 3.98Å; I503-F505 HydrophobicContact CG2-CE2 3.96Å; I503-F505 HydrophobicContact CG2-CG 4.47Å; I503-F505 HydrophobicContact CG2-CZ 3.78Å; F505-Y509 HydrophobicContact CB-CD1 4.11Å; F505-Y509 HydrophobicContact CB-CG 4.28Å; F505-Y509 AromaticContact CD1-CD1 3.4Å; F505-Y509 HydrophobicContact CD1-CD1 3.4Å; F505-Y509 VanDerWaalsContact CD1-CD1 3.4Å; F505-Y509 AromaticContact CD1-CE1 3.59Å; F505-Y509 HydrophobicContact CD1-CE1 3.59Å; F505-Y509 HydrophobicContact CD1-CG 4.05Å; F505-Y509 HydrophobicContact CE1-CD1 4.09Å; F505-Y509 AromaticContact CE1-CE1 3.81Å; F505-Y509 HydrophobicContact CE1-CE1 3.81Å; F505-Y509 AromaticContact CG-CD1 3.96Å; F505-Y509 HydrophobicContact CG-CD1 3.96Å; F505-Y509 HydrophobicContact CG-CE1 4.5Å
506P60.5Low65.5Low47 Ų4794.1 Ų94.131%0.30548%0.475SS..  trans-59.5144.5172.121.6-27.8000109.5F156 D508 Y509F156-P506 HydrophobicContact CD2-CG 4.1Å; F156-P506 HydrophobicContact CE1-CG 4.4Å; F156-P506 HydrophobicContact CE2-CG 3.94Å; F156-P506 HydrophobicContact CG-CG 4.43Å; F156-P506 HydrophobicContact CZ-CG 4.11Å; P506-D508 PolarHBondContact O-N 2.96Å; P506-Y509 WeakPolarHBondContact O-CB 3.42Å; P506-Y509 PolarHBondContact O-N 3.19Å
507D55.5Low64.3Low159 Ų159100.5 Ų100.585%0.8551%0.505SS*.G310 helixtrans-55.3-22.9-176.2-63.2-37.4000113Y509D507-Y509 PolarHBondContact O-N 3.4Å
508D57.3Low62.8Low113 Ų113101.3 Ų101.360%0.60451%0.51SS*.G310 helixtrans-76.21.6174.2-66-17.8000114.8K199 P506K199-D508 PolarHBondContact NZ-O 2.72Å; P506-D508 PolarHBondContact O-N 2.96Å
509Y53.5Low61.2Low39 Ų39100.3 Ų100.315%0.15350%0.503CS..G310 helixtrans-92.6-20.3-175.2-157.4-102.4000113.7F156 S195 D218 I220 F505 P506 D507F156-Y509 AromaticContact CE2-CD2 3.71Å; F156-Y509 HydrophobicContact CE2-CD2 3.71Å; F156-Y509 AromaticContact CE2-CE2 3.85Å; F156-Y509 HydrophobicContact CE2-CE2 3.85Å; F156-Y509 HydrophobicContact CZ-CD2 4.42Å; S195-Y509 PolarHBondContact OG-OH 3.04Å; D218-Y509 HydrophobicContact CB-CD2 4.4Å; D218-Y509 HydrophobicContact CB-CE2 3.65Å; I220-Y509 HydrophobicContact CD1-CD2 4.43Å; I220-Y509 HydrophobicContact CD1-CE1 3.88Å; I220-Y509 HydrophobicContact CD1-CE2 3.72Å; I220-Y509 WeakPolarHBondContact CD1-OH 3.42Å; F505-Y509 HydrophobicContact CB-CD1 4.11Å; F505-Y509 HydrophobicContact CB-CG 4.28Å; F505-Y509 AromaticContact CD1-CD1 3.4Å; F505-Y509 HydrophobicContact CD1-CD1 3.4Å; F505-Y509 VanDerWaalsContact CD1-CD1 3.4Å; F505-Y509 AromaticContact CD1-CE1 3.59Å; F505-Y509 HydrophobicContact CD1-CE1 3.59Å; F505-Y509 HydrophobicContact CD1-CG 4.05Å; F505-Y509 HydrophobicContact CE1-CD1 4.09Å; F505-Y509 AromaticContact CE1-CE1 3.81Å; F505-Y509 HydrophobicContact CE1-CE1 3.81Å; F505-Y509 AromaticContact CG-CD1 3.96Å; F505-Y509 HydrophobicContact CG-CD1 3.96Å; F505-Y509 HydrophobicContact CG-CE1 4.5Å; P506-Y509 WeakPolarHBondContact O-CB 3.42Å; P506-Y509 PolarHBondContact O-N 3.19Å; D507-Y509 PolarHBondContact O-N 3.4Å
510E37.3Very low59.6Low245 Ų245101.5 Ų101.5100%1.14551%0.514SS*.  trans-86.30166.8-65.8-171.2168.100110.9

Retrieved 510 of 510 residues in 275.5 ms (Link to these results)

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