A0A087WZ70_HUMAN Loading...

N-acetylneuraminate lyase

AlphaFold DB , UniProt , Accession A0A087WZ70, Species HUMAN (Homo sapiens, Human), Gene NPL, Length 230 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
1M38.1Very low71.4Confident247 Ų247103.8 Ų103.8100%1.21755%0.545SS*.  0115.10-72.4172.717800106.9
2A44Very low73.7Confident95 Ų9595.4 Ų95.479%0.78550%0.501SS*.  trans-111.896.9177.900000108.6
3F43.7Very low75.5Confident115 Ų11588.1 Ų88.150%0.50446%0.462SS..  trans-149135.6160.2-80.3-79.9000108.9A137 T168F3-A137 WeakPolarHBondContact CE1-O 3.35Å; F3-T168 HydrophobicContact CZ-CG2 4.43Å
4P47.5Very low77.1Confident85 Ų8581.9 Ų81.955%0.55243%0.43SS*.  cis-142.3174.8-23.328.7-6.4000116.3
5K62.8Low78.5Confident138 Ų13876.4 Ų76.460%0.640%0.401SS*.SBendtrans-29.8152142.8-75.5177.1168.3-172.30112.2D106K5-D106 IonicContact NZ-OD1 3.98Å; K5-D106 PolarHBondContact NZ-OD1 2.78Å
6K76.6Confident79.7Confident149 Ų14974.3 Ų74.365%0.64839%0.39SS*.  trans-40.5137.9178.9-110.1175.1172.8-179.80112.8D79 Q80K6-D79 IonicContact NZ-OD2 3.71Å; K6-Q80 PolarHBondContact O-NE2 2.7Å
7K88.3Confident80.8Confident83 Ų8370.1 Ų70.136%0.36137%0.368SS..  trans-58.1135.4171179.3175.1177.7164.30111.1Q9 Q193 F194K7-Q9 PolarHBondContact O-N 3.17Å; K7-Q193 WeakPolarHBondContact CE-O 3.43Å; K7-Q193 PolarHBondContact NZ-O 3.45Å; K7-F194 WeakPolarHBondContact CE-O 3.49Å; K7-F194 PolarHBondContact NZ-O 2.67Å
8L96Very high81.7Confident2 Ų266.7 Ų66.71%0.0135%0.351CS..  trans-68.8121.8172.9-176.260.9000110V12 N45 Q80 I82 Y141 A195 L197L8-V12 HydrophobicContact CD1-CG2 3.9Å; L8-V12 HydrophobicContact CG-CG2 4.25Å; L8-N45 HydrophobicContact CD1-CB 3.78Å; L8-Q80 VanDerWaalsContact CA-NE2 3.34Å; L8-Q80 HydrophobicContact CD1-CB 4.06Å; L8-Q80 HydrophobicContact CD1-CG 4.35Å; L8-I82 HydrophobicContact CD2-CD1 4.09Å; L8-I82 HydrophobicContact CD2-CG1 3.77Å; L8-Y141 HydrophobicContact CB-CE1 4.34Å; L8-Y141 WeakPolarHBondContact CB-OH 3.38Å; L8-Y141 HydrophobicContact CD2-CE1 3.95Å; L8-Y141 HydrophobicContact CD2-CE2 4.13Å; L8-A195 HydrophobicContact CB-CB 4.41Å; L8-A195 VanDerWaalsContact O-CB 3.31Å; L8-A195 WeakPolarHBondContact O-CB 3.49Å; L8-L197 HydrophobicContact CD2-CD1 3.54Å; L8-L197 HydrophobicContact CG-CD1 3.97Å
9Q96.2Very high82.5Confident112 Ų11266.8 Ų66.852%0.52335%0.35SS..  trans-156.9166-174.664.7-179.57.800111.6K7 N45K7-Q9 PolarHBondContact O-N 3.17Å; Q9-N45 PolarHBondContact O-ND2 3.44Å; Q9-N45 VanDerWaalsContact O-ND2 3.09Å
10G95.8Very high83.3Confident36 Ų3666.2 Ų66.237%0.37135%0.349SS..EExtended strand (participates in β ladder)trans73.2-150.8-178.500000112.4T213 G214 A215G10-T213 PolarHBondContact N-O 3.16Å; G10-G214 CarbonylContact O-C 3.51Å; G10-G214 WeakPolarHBondContact O-CA 3.32Å; G10-A215 PolarHBondContact O-N 3.27Å
11L97.1Very high83.9Confident80 Ų8072.9 Ų72.942%0.41938%0.378SS..EExtended strand (participates in β ladder)trans-78.3133.9-178.9-60.5177.5000111.1N45 A215 V220L11-N45 PolarHBondContact O-ND2 3.4Å; L11-A215 HydrophobicContact CD2-CB 4.16Å; L11-V220 HydrophobicContact CD1-CG1 4.32Å
12V98.2Very high86.7Confident3 Ų366.9 Ų66.92%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-124111172.3-169.70000107.9L8 A14 N45 F47 L197 A215 V216 G217L8-V12 HydrophobicContact CD1-CG2 3.9Å; L8-V12 HydrophobicContact CG-CG2 4.25Å; V12-A14 PolarHBondContact O-N 3.5Å; V12-N45 CarbonylContact C-O 3.51Å; V12-N45 WeakPolarHBondContact CA-O 3.3Å; V12-N45 HydrophobicContact CB-CB 4.19Å; V12-N45 HydrophobicContact CG1-CB 4Å; V12-N45 HydrophobicContact CG2-CB 3.9Å; V12-F47 HydrophobicContact CG1-CB 3.88Å; V12-L197 HydrophobicContact CG2-CD1 4.28Å; V12-L197 HydrophobicContact CG2-CD2 4.49Å; V12-A215 WeakPolarHBondContact CB-O 3.43Å; V12-A215 PolarHBondContact N-O 3.32Å; V12-V216 HydrophobicContact CB-CB 4.22Å; V12-V216 HydrophobicContact CB-CG1 4.29Å; V12-V216 HydrophobicContact CB-CG2 3.6Å; V12-V216 HydrophobicContact CG1-CG1 4.3Å; V12-V216 HydrophobicContact CG1-CG2 4.05Å; V12-V216 HydrophobicContact CG2-CG2 3.88Å; V12-V216 VanDerWaalsContact O-CA 3.32Å; V12-V216 WeakPolarHBondContact O-CA 3.38Å; V12-G217 PolarHBondContact O-N 2.87Å
13A98.1Very high89Confident0 Ų064.1 Ų64.10%033%0.333CS..EExtended strand (participates in β ladder)trans-73.1121.4178.700000110.2T15 L37 V43 N45 I46 F47 V220A13-T15 PolarHBondContact O-N 2.92Å; A13-T15 VanDerWaalsContact O-N 3.15Å; A13-L37 HydrophobicContact CB-CD1 4.47Å; A13-L37 HydrophobicContact CB-CD2 3.91Å; A13-V43 HydrophobicContact CB-CG1 3.83Å; A13-N45 PolarHBondContact N-O 2.89Å; A13-I46 HydrophobicContact CB-CG2 4.43Å; A13-I46 CarbonylContact O-C 3.53Å; A13-I46 WeakPolarHBondContact O-CA 3.38Å; A13-F47 PolarHBondContact O-N 2.88Å; A13-V220 HydrophobicContact CB-CG2 3.62Å
14A97.8Very high91.6Very high1 Ų164.3 Ų64.31%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-72.2103.6164.500000107.7V12 F47 T52 V216 G217 S221V12-A14 PolarHBondContact O-N 3.5Å; A14-F47 WeakPolarHBondContact CA-O 3.14Å; A14-T52 HydrophobicContact CB-CG2 4.43Å; A14-T52 WeakPolarHBondContact O-CG2 3.44Å; A14-V216 HydrophobicContact CB-CG1 4.41Å; A14-G217 WeakPolarHBondContact CB-O 3.28Å; A14-G217 PolarHBondContact N-O 2.89Å; A14-S221 WeakPolarHBondContact O-CB 3.35Å; A14-S221 PolarHBondContact O-OG 3.12Å
15T98.1Very high94Very high0 Ų060.8 Ų60.80%031%0.312CS..  trans-75.4141.3-170.152.70000110.8A13 L37 I46 F47 G53 W70A13-T15 PolarHBondContact O-N 2.92Å; A13-T15 VanDerWaalsContact O-N 3.15Å; T15-L37 HydrophobicContact CG2-CD1 4.12Å; T15-I46 HydrophobicContact CG2-CB 3.75Å; T15-I46 HydrophobicContact CG2-CD1 4.39Å; T15-I46 HydrophobicContact CG2-CG2 3.79Å; T15-F47 PolarHBondContact N-O 3.39Å; T15-F47 VanDerWaalsContact N-O 3.08Å; T15-F47 PolarHBondContact OG1-O 3.18Å; T15-G53 WeakPolarHBondContact O-CA 3.4Å; T15-G53 PolarHBondContact O-N 3.33Å; T15-W70 HydrophobicContact CG2-CE3 4.46Å; T15-W70 HydrophobicContact CG2-CH2 3.59Å; T15-W70 HydrophobicContact CG2-CZ2 3.81Å; T15-W70 HydrophobicContact CG2-CZ3 3.94Å
16I97.9Very high95.7Very high43 Ų4355.7 Ų55.722%0.22129%0.291CS..  trans-72.4149.2167.4-67.4163.1000108.4P18 Y33 T52 L224I16-P18 VanDerWaalsContact O-CD 3.32Å; I16-P18 WeakPolarHBondContact O-CD 3.46Å; I16-Y33 HydrophobicContact CB-CE1 4.31Å; I16-T52 HydrophobicContact CG1-CG2 3.76Å; I16-L224 HydrophobicContact CB-CD1 3.82Å; I16-L224 HydrophobicContact CD1-CD1 3.4Å; I16-L224 VanDerWaalsContact CD1-CD1 3.4Å; I16-L224 HydrophobicContact CG1-CD1 4.18Å; I16-L224 HydrophobicContact CG2-CD1 3.88Å
17T98.2Very high96.8Very high3 Ų351.6 Ų51.62%0.01827%0.273CS..  trans-91.1106.5167.3-64.50000107.5M19 I25 G53 L58 V66T17-M19 PolarHBondContact O-N 3.47Å; T17-I25 HydrophobicContact CG2-CD1 4.01Å; T17-I25 HydrophobicContact CG2-CG1 3.86Å; T17-I25 HydrophobicContact CG2-CG2 4.09Å; T17-G53 WeakPolarHBondContact CB-O 2.72Å; T17-G53 PolarHBondContact OG1-O 3.44Å; T17-L58 HydrophobicContact CG2-CD1 4.11Å; T17-L58 HydrophobicContact CG2-CD2 4.48Å; T17-V66 HydrophobicContact CG2-CG2 4.41Å
18P97.1Very high97.2Very high9 Ų952.1 Ų52.16%0.05829%0.287CS..  trans-63.7132.3179.2-18.933.8000109.2I16 I25 N26 V29 I30 Y33I16-P18 VanDerWaalsContact O-CD 3.32Å; I16-P18 WeakPolarHBondContact O-CD 3.46Å; P18-I25 WeakPolarHBondContact O-CA 3.4Å; P18-N26 HydrophobicContact CB-CB 4.2Å; P18-N26 PolarHBondContact O-N 3.04Å; P18-V29 HydrophobicContact CB-CG2 3.39Å; P18-V29 HydrophobicContact CG-CG2 3.7Å; P18-I30 HydrophobicContact CG-CG1 4.18Å; P18-Y33 HydrophobicContact CG-CD1 4.38Å
19M97.2Very high97.3Very high69 Ų6952.8 Ų52.834%0.3429%0.291SS..BIsolated β-bridgetrans-119.1152.5175.4-68.2-176.2175.400109.6T17 E24 L58T17-M19 PolarHBondContact O-N 3.47Å; M19-E24 CarbonylContact C-O 3.56Å; M19-E24 WeakPolarHBondContact CA-O 3.49Å; M19-L58 HydrophobicContact CE-CD2 3.79Å
20T97.1Very high97.4Very high54 Ų5447.4 Ų47.433%0.33127%0.266SS..  trans-83168.2166.968.60000109.8N22 G23 E24 N26T20-N22 PolarHBondContact O-N 2.74Å; T20-N22 PolarHBondContact OG1-OD1 2.88Å; T20-G23 PolarHBondContact O-N 3.11Å; T20-E24 PolarHBondContact N-O 2.92Å; T20-E24 PolarHBondContact OG1-O 3.37Å; T20-N26 HydrophobicContact CG2-CB 3.66Å
21E96.1Very high97.5Very high206 Ų20646.3 Ų46.396%0.96326%0.255SS*.THydrogen-bonded Turntrans-56.9-21.7-178.6-67.8-65.6148.600114.3
22N96.4Very high97.5Very high121 Ų12147.3 Ų47.365%0.64726%0.257SS*.THydrogen-bonded Turntrans-89.2-1.2178.473.42.9000113.8T20 E24T20-N22 PolarHBondContact O-N 2.74Å; T20-N22 PolarHBondContact OG1-OD1 2.88Å; N22-E24 VanDerWaalsContact OD1-CB 3.3Å; N22-E24 WeakPolarHBondContact OD1-CB 3.39Å; N22-E24 VanDerWaalsContact OD1-CG 3.26Å; N22-E24 WeakPolarHBondContact OD1-CG 3.45Å; N22-E24 PolarHBondContact OD1-N 3.02Å
23G93.9Very high97.4Very high38 Ų3847.1 Ų47.139%0.39226%0.256SS..SBendtrans92.4-4.1-179.300000115.7T20T20-G23 PolarHBondContact O-N 3.11Å
24E97.9Very high97.4Very high118 Ų11847.1 Ų47.155%0.55126%0.256SS*.  trans-77147.8174.8-61.9-66139.200111.2M19 T20 N22 N26M19-E24 CarbonylContact C-O 3.56Å; M19-E24 WeakPolarHBondContact CA-O 3.49Å; T20-E24 PolarHBondContact N-O 2.92Å; T20-E24 PolarHBondContact OG1-O 3.37Å; N22-E24 VanDerWaalsContact OD1-CB 3.3Å; N22-E24 WeakPolarHBondContact OD1-CB 3.39Å; N22-E24 VanDerWaalsContact OD1-CG 3.26Å; N22-E24 WeakPolarHBondContact OD1-CG 3.45Å; N22-E24 PolarHBondContact OD1-N 3.02Å; E24-N26 PolarHBondContact O-N 3.09Å
25I98.3Very high97.4Very high12 Ų1249.5 Ų49.56%0.06227%0.269CS..BIsolated β-bridgetrans-62.5127.7178.4-61.1177.4000110.9T17 P18 F27 L58 E62 V66T17-I25 HydrophobicContact CG2-CD1 4.01Å; T17-I25 HydrophobicContact CG2-CG1 3.86Å; T17-I25 HydrophobicContact CG2-CG2 4.09Å; P18-I25 WeakPolarHBondContact O-CA 3.4Å; I25-F27 HydrophobicContact CB-CD2 4.41Å; I25-F27 HydrophobicContact CB-CE1 4.16Å; I25-F27 HydrophobicContact CB-CE2 3.85Å; I25-F27 HydrophobicContact CB-CZ 3.7Å; I25-F27 HydrophobicContact CD1-CZ 4.22Å; I25-F27 HydrophobicContact CG2-CD1 3.78Å; I25-F27 HydrophobicContact CG2-CD2 4.17Å; I25-F27 HydrophobicContact CG2-CE1 3.53Å; I25-F27 HydrophobicContact CG2-CE2 3.94Å; I25-F27 HydrophobicContact CG2-CG 4.1Å; I25-F27 HydrophobicContact CG2-CZ 3.62Å; I25-F27 WeakPolarHBondContact O-CD2 3.44Å; I25-F27 PolarHBondContact O-N 3.1Å; I25-L58 HydrophobicContact CD1-CD1 4.12Å; I25-L58 HydrophobicContact CD1-CD2 4.03Å; I25-L58 HydrophobicContact CG1-CD2 4.36Å; I25-E62 HydrophobicContact CD1-CB 3.69Å; I25-E62 HydrophobicContact CD1-CG 3.99Å; I25-V66 HydrophobicContact CD1-CB 4.28Å; I25-V66 HydrophobicContact CG2-CG2 4.25Å
26N98.2Very high97.3Very high31 Ų3150.9 Ų50.917%0.16627%0.274CS..  trans-90.281.3174.6-170.3-4.4000111.1P18 T20 E24 S28 V29P18-N26 HydrophobicContact CB-CB 4.2Å; P18-N26 PolarHBondContact O-N 3.04Å; T20-N26 HydrophobicContact CG2-CB 3.66Å; E24-N26 PolarHBondContact O-N 3.09Å; N26-S28 PolarHBondContact O-N 3.03Å; N26-S28 PolarHBondContact OD1-N 3.5Å; N26-S28 PolarHBondContact OD1-OG 3.26Å; N26-V29 HydrophobicContact CB-CG2 4.36Å; N26-V29 WeakPolarHBondContact O-CG2 3.34Å
27F98Very high97.2Very high62 Ų6248.8 Ų48.827%0.27226%0.264SS..G310 helixtrans-61.1-29178.7-58.6-78.1000113.4I25 V29 I30 Q65 V66 E69I25-F27 HydrophobicContact CB-CD2 4.41Å; I25-F27 HydrophobicContact CB-CE1 4.16Å; I25-F27 HydrophobicContact CB-CE2 3.85Å; I25-F27 HydrophobicContact CB-CZ 3.7Å; I25-F27 HydrophobicContact CD1-CZ 4.22Å; I25-F27 HydrophobicContact CG2-CD1 3.78Å; I25-F27 HydrophobicContact CG2-CD2 4.17Å; I25-F27 HydrophobicContact CG2-CE1 3.53Å; I25-F27 HydrophobicContact CG2-CE2 3.94Å; I25-F27 HydrophobicContact CG2-CG 4.1Å; I25-F27 HydrophobicContact CG2-CZ 3.62Å; I25-F27 WeakPolarHBondContact O-CD2 3.44Å; I25-F27 PolarHBondContact O-N 3.1Å; F27-V29 PolarHBondContact O-N 3.05Å; F27-V29 VanDerWaalsContact O-N 3.13Å; F27-I30 HydrophobicContact CD1-CD1 4.36Å; F27-I30 PolarHBondContact O-N 3.36Å; F27-I30 VanDerWaalsContact O-N 3.15Å; F27-Q65 HydrophobicContact CE1-CB 3.88Å; F27-Q65 HydrophobicContact CZ-CB 3.82Å; F27-V66 HydrophobicContact CE1-CB 4.06Å; F27-V66 HydrophobicContact CE1-CG2 4.44Å; F27-E69 HydrophobicContact CB-CG 4.32Å; F27-E69 HydrophobicContact CD1-CB 4.15Å; F27-E69 HydrophobicContact CD1-CG 4.31Å
28S97.3Very high97.1Very high94 Ų9450.8 Ų50.866%0.65728%0.276SS*.G310 helixtrans-61.6-27.5-171.173.90000114.2N26N26-S28 PolarHBondContact O-N 3.03Å; N26-S28 PolarHBondContact OD1-N 3.5Å; N26-S28 PolarHBondContact OD1-OG 3.26Å
29V97.6Very high97Very high16 Ų1657.4 Ų57.410%0.09730%0.303CS..G310 helixtrans-92.2-9.9-177-600000113.4P18 N26 F27 G31 Q32 Y33P18-V29 HydrophobicContact CB-CG2 3.39Å; P18-V29 HydrophobicContact CG-CG2 3.7Å; N26-V29 HydrophobicContact CB-CG2 4.36Å; N26-V29 WeakPolarHBondContact O-CG2 3.34Å; F27-V29 PolarHBondContact O-N 3.05Å; F27-V29 VanDerWaalsContact O-N 3.13Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 2.86Å; V29-Q32 PolarHBondContact O-N 3.07Å; V29-Q32 VanDerWaalsContact O-N 3.17Å; V29-Y33 WeakPolarHBondContact O-CB 3.49Å; V29-Y33 PolarHBondContact O-N 2.93Å
30I98.3Very high96.9Very high0 Ų060.3 Ų60.30%032%0.316CS..Hα-helixtrans-61.8-39.5-176.9-69.8177000111.3P18 F27 Q32 Y33 V34 V66 E69 W70 K73P18-I30 HydrophobicContact CG-CG1 4.18Å; F27-I30 HydrophobicContact CD1-CD1 4.36Å; F27-I30 PolarHBondContact O-N 3.36Å; F27-I30 VanDerWaalsContact O-N 3.15Å; I30-Q32 PolarHBondContact O-N 3.33Å; I30-Y33 PolarHBondContact O-N 3.42Å; I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.29Å; I30-V66 HydrophobicContact CD1-CG2 3.74Å; I30-E69 HydrophobicContact CB-CG 3.85Å; I30-E69 HydrophobicContact CD1-CB 4.08Å; I30-E69 HydrophobicContact CD1-CG 3.74Å; I30-E69 HydrophobicContact CG1-CG 4.32Å; I30-E69 HydrophobicContact CG2-CG 3.91Å; I30-W70 HydrophobicContact CG1-CZ2 4.34Å; I30-W70 HydrophobicContact CG2-CD2 3.62Å; I30-W70 HydrophobicContact CG2-CE3 3.68Å; I30-W70 HydrophobicContact CG2-CG 4.15Å; I30-W70 HydrophobicContact CG2-CH2 4.23Å; I30-W70 HydrophobicContact CG2-CZ2 4.15Å; I30-W70 HydrophobicContact CG2-CZ3 4Å; I30-K73 HydrophobicContact CG2-CB 4.38Å; I30-K73 HydrophobicContact CG2-CG 4.32Å
31G97.9Very high96.7Very high13 Ų1361.3 Ų61.313%0.13432%0.317CS..Hα-helixtrans-60.7-42.4176.300000113.5V29 Y33 V34 D35V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 2.86Å; G31-Y33 VanDerWaalsContact C-N 3.34Å; G31-V34 PolarHBondContact O-N 2.91Å; G31-D35 PolarHBondContact O-N 3.45Å
32Q97.4Very high96.6Very high100 Ų10054 Ų5447%0.46730%0.297SS..Hα-helixtrans-68.4-37.1175.8-63.7-180-6.100111.1V29 I30 D35 Y36 L227V29-Q32 PolarHBondContact O-N 3.07Å; V29-Q32 VanDerWaalsContact O-N 3.17Å; I30-Q32 PolarHBondContact O-N 3.33Å; Q32-D35 PolarHBondContact O-N 3.21Å; Q32-Y36 PolarHBondContact O-N 3.19Å; Q32-L227 HydrophobicContact CB-CD2 4.08Å
33Y97.4Very high96.5Very high0 Ų048.3 Ų48.30%027%0.267CS..Hα-helixtrans-65.3-40.4177.4-164.7-176.5000111.9I16 P18 V29 I30 G31 D35 Y36 L37 W70 S221 L224 L227I16-Y33 HydrophobicContact CB-CE1 4.31Å; P18-Y33 HydrophobicContact CG-CD1 4.38Å; V29-Y33 WeakPolarHBondContact O-CB 3.49Å; V29-Y33 PolarHBondContact O-N 2.93Å; I30-Y33 PolarHBondContact O-N 3.42Å; G31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-D35 VanDerWaalsContact C-N 3.33Å; Y33-D35 PolarHBondContact O-N 3.22Å; Y33-Y36 HydrophobicContact CD2-CD1 4.35Å; Y33-Y36 HydrophobicContact CE2-CD1 4.44Å; Y33-Y36 PolarHBondContact O-N 2.91Å; Y33-L37 HydrophobicContact CD2-CD1 4.1Å; Y33-L37 HydrophobicContact CD2-CD2 4.48Å; Y33-L37 HydrophobicContact CD2-CG 3.9Å; Y33-L37 HydrophobicContact CE2-CD1 4.09Å; Y33-L37 HydrophobicContact CE2-CD2 3.96Å; Y33-L37 HydrophobicContact CE2-CG 3.87Å; Y33-L37 WeakPolarHBondContact O-CG 3.34Å; Y33-L37 PolarHBondContact O-N 3.27Å; Y33-W70 AromaticContact CD1-CH2 3.43Å; Y33-W70 HydrophobicContact CD1-CH2 3.43Å; Y33-W70 VanDerWaalsContact CD1-CH2 3.43Å; Y33-W70 AromaticContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD1-CZ2 3.84Å; Y33-W70 AromaticContact CE1-CH2 3.93Å; Y33-W70 HydrophobicContact CE1-CH2 3.93Å; Y33-W70 HydrophobicContact CE1-CZ2 4.18Å; Y33-W70 AromaticContact CG-CH2 3.86Å; Y33-W70 HydrophobicContact CG-CH2 3.86Å; Y33-S221 WeakPolarHBondContact OH-CB 3.46Å; Y33-S221 PolarHBondContact OH-O 3.47Å; Y33-L224 HydrophobicContact CD1-CD2 3.97Å; Y33-L224 HydrophobicContact CD2-CD2 4.5Å; Y33-L224 HydrophobicContact CE1-CD1 4.01Å; Y33-L224 HydrophobicContact CE1-CD2 4Å; Y33-L224 HydrophobicContact CE1-CG 4.24Å; Y33-L224 HydrophobicContact CE2-CG 4.4Å; Y33-L224 HydrophobicContact CG-CD2 4.25Å; Y33-L227 HydrophobicContact CD2-CD1 3.99Å; Y33-L227 HydrophobicContact CG-CD1 4.26Å
34V98.1Very high96.6Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-57.7-47.1170.81720000110.9I30 G31 Y36 L37 V38 W70 K73 K77 L78I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.29Å; G31-V34 PolarHBondContact O-N 2.91Å; V34-Y36 VanDerWaalsContact C-N 3.31Å; V34-Y36 PolarHBondContact O-N 3.43Å; V34-L37 PolarHBondContact O-N 3.25Å; V34-V38 WeakPolarHBondContact O-CG2 3.34Å; V34-V38 PolarHBondContact O-N 2.67Å; V34-W70 HydrophobicContact CG2-CE3 3.7Å; V34-W70 HydrophobicContact CG2-CZ3 3.51Å; V34-K73 HydrophobicContact CG2-CB 4.02Å; V34-K77 HydrophobicContact CG1-CB 3.98Å; V34-K77 HydrophobicContact CG1-CD 3.78Å; V34-L78 HydrophobicContact CG1-CD1 4.11Å; V34-L78 HydrophobicContact CG1-CG 4.13Å; V34-L78 HydrophobicContact CG2-CD1 4.32Å
35D97.1Very high96.6Very high50 Ų5046.8 Ų46.827%0.26725%0.248SC..Hα-helixtrans-61.5-40.7179.3-76.5-37.5000112.2G31 Q32 Y33 V38 K39 K77G31-D35 PolarHBondContact O-N 3.45Å; Q32-D35 PolarHBondContact O-N 3.21Å; Y33-D35 VanDerWaalsContact C-N 3.33Å; Y33-D35 PolarHBondContact O-N 3.22Å; D35-V38 PolarHBondContact O-N 2.9Å; D35-K39 VanDerWaalsContact O-CB 3.28Å; D35-K39 WeakPolarHBondContact O-CB 3.47Å; D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.46Å; D35-K77 WeakPolarHBondContact OD1-CD 3.45Å; D35-K77 WeakPolarHBondContact OD1-CE 3.2Å; D35-K77 IonicContact OD1-NZ 3.96Å; D35-K77 PolarHBondContact OD1-NZ 3.49Å; D35-K77 IonicContact OD2-NZ 2.7Å; D35-K77 PolarHBondContact OD2-NZ 3.21Å; D35-K77 VanDerWaalsContact OD2-NZ 3.1Å
36Y96.3Very high96.7Very high29 Ų2946.2 Ų46.211%0.11425%0.245CC..Hα-helixtrans-62.8-48.4175.6176.1-93000112.4Q32 Y33 V34 V38 K39 E40 Q41 D223 L227Q32-Y36 PolarHBondContact O-N 3.19Å; Y33-Y36 HydrophobicContact CD2-CD1 4.35Å; Y33-Y36 HydrophobicContact CE2-CD1 4.44Å; Y33-Y36 PolarHBondContact O-N 2.91Å; V34-Y36 VanDerWaalsContact C-N 3.31Å; V34-Y36 PolarHBondContact O-N 3.43Å; Y36-V38 VanDerWaalsContact C-N 3.27Å; Y36-V38 PolarHBondContact O-N 3.17Å; Y36-K39 PolarHBondContact O-N 2.67Å; Y36-E40 HydrophobicContact CD2-CB 3.91Å; Y36-E40 HydrophobicContact CD2-CG 3.68Å; Y36-E40 HydrophobicContact CE2-CB 3.87Å; Y36-E40 HydrophobicContact CE2-CG 3.97Å; Y36-E40 HydrophobicContact CG-CB 4.47Å; Y36-E40 HydrophobicContact CG-CG 4.44Å; Y36-E40 WeakPolarHBondContact O-CB 3.14Å; Y36-E40 PolarHBondContact O-N 3.2Å; Y36-Q41 HydrophobicContact CD1-CG 4.08Å; Y36-Q41 HydrophobicContact CE1-CG 3.53Å; Y36-Q41 PolarHBondContact O-N 3.47Å; Y36-Q41 PolarHBondContact OH-NE2 2.81Å; Y36-D223 WeakPolarHBondContact OH-CB 3.31Å; Y36-L227 HydrophobicContact CG-CD1 4.18Å
37L96Very high96.7Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-57.6-42.7178.3-73.3171.3000111.3A13 T15 Y33 V34 Q41 G42 V43 I46 W70A13-L37 HydrophobicContact CB-CD1 4.47Å; A13-L37 HydrophobicContact CB-CD2 3.91Å; T15-L37 HydrophobicContact CG2-CD1 4.12Å; Y33-L37 HydrophobicContact CD2-CD1 4.1Å; Y33-L37 HydrophobicContact CD2-CD2 4.48Å; Y33-L37 HydrophobicContact CD2-CG 3.9Å; Y33-L37 HydrophobicContact CE2-CD1 4.09Å; Y33-L37 HydrophobicContact CE2-CD2 3.96Å; Y33-L37 HydrophobicContact CE2-CG 3.87Å; Y33-L37 WeakPolarHBondContact O-CG 3.34Å; Y33-L37 PolarHBondContact O-N 3.27Å; V34-L37 PolarHBondContact O-N 3.25Å; L37-Q41 CarbonylContact O-C 3.58Å; L37-Q41 WeakPolarHBondContact O-CB 3.2Å; L37-G42 PolarHBondContact O-N 2.72Å; L37-G42 VanDerWaalsContact O-N 3.16Å; L37-V43 HydrophobicContact CB-CB 4.39Å; L37-V43 PolarHBondContact O-N 2.78Å; L37-I46 HydrophobicContact CD1-CG2 3.85Å; L37-W70 HydrophobicContact CD1-CH2 4.41Å; L37-W70 HydrophobicContact CD1-CZ3 4.3Å
38V95.9Very high96.7Very high45 Ų4542 Ų4227%0.27323%0.225SC..Hα-helixtrans-74.5-49.1-178.4174.50000112V34 D35 Y36 G42 K77 L78V34-V38 WeakPolarHBondContact O-CG2 3.34Å; V34-V38 PolarHBondContact O-N 2.67Å; D35-V38 PolarHBondContact O-N 2.9Å; Y36-V38 VanDerWaalsContact C-N 3.27Å; Y36-V38 PolarHBondContact O-N 3.17Å; V38-G42 WeakPolarHBondContact O-CA 3.49Å; V38-G42 PolarHBondContact O-N 2.81Å; V38-K77 HydrophobicContact CG2-CB 4.42Å; V38-L78 HydrophobicContact CG2-CD2 3.68Å; V38-L78 HydrophobicContact CG2-CG 4.29Å
39K95.5Very high96.8Very high147 Ų14737.7 Ų37.764%0.63920%0.195SC*.Hα-helixtrans-82-46.2-170.5-67.7178.1-178.5171.30113D35 Y36D35-K39 VanDerWaalsContact O-CB 3.28Å; D35-K39 WeakPolarHBondContact O-CB 3.47Å; D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.46Å; Y36-K39 PolarHBondContact O-N 2.67Å
40E94.1Very high96.8Very high131 Ų13137 Ų3761%0.61219%0.191SC*.THydrogen-bonded Turntrans-91.7-38.4-172-52.7-53.4142.800111.4Y36Y36-E40 HydrophobicContact CD2-CB 3.91Å; Y36-E40 HydrophobicContact CD2-CG 3.68Å; Y36-E40 HydrophobicContact CE2-CB 3.87Å; Y36-E40 HydrophobicContact CE2-CG 3.97Å; Y36-E40 HydrophobicContact CG-CB 4.47Å; Y36-E40 HydrophobicContact CG-CG 4.44Å; Y36-E40 WeakPolarHBondContact O-CB 3.14Å; Y36-E40 PolarHBondContact O-N 3.2Å
41Q92Very high96.8Very high74 Ų7440.1 Ų40.135%0.34621%0.21SC..SBendtrans-96.8-11.2-177.3-55.7-58.5-4800113.7Y36 L37 V43Y36-Q41 HydrophobicContact CD1-CG 4.08Å; Y36-Q41 HydrophobicContact CE1-CG 3.53Å; Y36-Q41 PolarHBondContact O-N 3.47Å; Y36-Q41 PolarHBondContact OH-NE2 2.81Å; L37-Q41 CarbonylContact O-C 3.58Å; L37-Q41 WeakPolarHBondContact O-CB 3.2Å; Q41-V43 HydrophobicContact CB-CG2 3.87Å; Q41-V43 PolarHBondContact O-N 2.93Å
42G94.1Very high96.8Very high53 Ų5341.5 Ų41.555%0.54622%0.216SC..  trans62.718.6-176.300000114L37 V38L37-G42 PolarHBondContact O-N 2.72Å; L37-G42 VanDerWaalsContact O-N 3.16Å; V38-G42 WeakPolarHBondContact O-CA 3.49Å; V38-G42 PolarHBondContact O-N 2.81Å
43V95.3Very high96.8Very high1 Ų136.8 Ų36.81%0.00619%0.194CC..  trans-82.9131.5-179.5175.60000109.6A13 L37 Q41 N45 V220A13-V43 HydrophobicContact CB-CG1 3.83Å; L37-V43 HydrophobicContact CB-CB 4.39Å; L37-V43 PolarHBondContact O-N 2.78Å; Q41-V43 HydrophobicContact CB-CG2 3.87Å; Q41-V43 PolarHBondContact O-N 2.93Å; V43-N45 WeakPolarHBondContact CG1-O 3.41Å; V43-V220 HydrophobicContact CG2-CB 4.12Å; V43-V220 HydrophobicContact CG2-CG2 4.34Å
44K96.6Very high96.9Very high113 Ų11341.2 Ų41.249%0.49122%0.215SC..  trans-112.1-9.9-179.1-60.7-173.8179.3-174.90114L78 D79 Q80K44-L78 CarbonylContact O-C 3.56Å; K44-L78 WeakPolarHBondContact O-CA 3.32Å; K44-L78 WeakPolarHBondContact O-CB 3.35Å; K44-D79 HydrophobicContact CB-CB 4.06Å; K44-D79 PolarHBondContact O-N 3.01Å; K44-Q80 PolarHBondContact O-N 3.46Å
45N98.3Very high96.9Very high11 Ų1141.2 Ų41.26%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-130.2145.4-176.8-43.4-77000109.8L8 Q9 L11 V12 A13 V43 Q80L8-N45 HydrophobicContact CD1-CB 3.78Å; Q9-N45 PolarHBondContact O-ND2 3.44Å; Q9-N45 VanDerWaalsContact O-ND2 3.09Å; L11-N45 PolarHBondContact O-ND2 3.4Å; V12-N45 CarbonylContact C-O 3.51Å; V12-N45 WeakPolarHBondContact CA-O 3.3Å; V12-N45 HydrophobicContact CB-CB 4.19Å; V12-N45 HydrophobicContact CG1-CB 4Å; V12-N45 HydrophobicContact CG2-CB 3.9Å; A13-N45 PolarHBondContact N-O 2.89Å; V43-N45 WeakPolarHBondContact CG1-O 3.41Å; N45-Q80 VanDerWaalsContact CA-O 3.3Å; N45-Q80 WeakPolarHBondContact CA-O 3.05Å; N45-Q80 HydrophobicContact CB-CB 4.46Å
46I98.6Very high96.9Very high0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-129.6151177.863.4173.9000112.2A13 T15 L37 V48 W70 L78 Q80 V81 I82A13-I46 HydrophobicContact CB-CG2 4.43Å; A13-I46 CarbonylContact O-C 3.53Å; A13-I46 WeakPolarHBondContact O-CA 3.38Å; T15-I46 HydrophobicContact CG2-CB 3.75Å; T15-I46 HydrophobicContact CG2-CD1 4.39Å; T15-I46 HydrophobicContact CG2-CG2 3.79Å; L37-I46 HydrophobicContact CD1-CG2 3.85Å; I46-V48 HydrophobicContact CD1-CG2 3.73Å; I46-V48 HydrophobicContact CG1-CG2 4.02Å; I46-W70 HydrophobicContact CD1-CB 4.17Å; I46-W70 HydrophobicContact CD1-CD2 3.88Å; I46-W70 HydrophobicContact CD1-CE3 3.32Å; I46-W70 HydrophobicContact CD1-CG 4.25Å; I46-W70 HydrophobicContact CD1-CZ3 3.96Å; I46-L78 HydrophobicContact CB-CD1 4.48Å; I46-L78 HydrophobicContact CD1-CD1 3.56Å; I46-L78 HydrophobicContact CG1-CD1 3.86Å; I46-L78 HydrophobicContact CG2-CD1 3.85Å; I46-L78 HydrophobicContact CG2-CD2 4.16Å; I46-Q80 PolarHBondContact N-O 3.2Å; I46-V81 HydrophobicContact CD1-CB 4.37Å; I46-V81 HydrophobicContact CD1-CG1 3.85Å; I46-V81 HydrophobicContact CD1-CG2 3.94Å; I46-V81 HydrophobicContact CG1-CB 4.14Å; I46-V81 HydrophobicContact CG1-CG1 3.92Å; I46-V81 HydrophobicContact CG1-CG2 3.96Å; I46-I82 PolarHBondContact O-N 3.39Å
47F98.8Very high97Very high6 Ų645.6 Ų45.63%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-121.5103.2175.4-176.9-92.5000109V12 A13 A14 T15 I82 H84 A109 Y143 K173 V216V12-F47 HydrophobicContact CG1-CB 3.88Å; A13-F47 PolarHBondContact O-N 2.88Å; A14-F47 WeakPolarHBondContact CA-O 3.14Å; T15-F47 PolarHBondContact N-O 3.39Å; T15-F47 VanDerWaalsContact N-O 3.08Å; T15-F47 PolarHBondContact OG1-O 3.18Å; F47-I82 WeakPolarHBondContact CA-O 3.27Å; F47-I82 HydrophobicContact CD2-CB 4.37Å; F47-I82 HydrophobicContact CD2-CG2 4.09Å; F47-I82 HydrophobicContact CE2-CG2 4.43Å; F47-H84 HydrophobicContact CE1-CB 3.92Å; F47-H84 HydrophobicContact CE2-CB 4.38Å; F47-H84 HydrophobicContact CZ-CB 3.71Å; F47-A109 HydrophobicContact CD2-CB 4.41Å; F47-A109 HydrophobicContact CE2-CB 3.39Å; F47-A109 HydrophobicContact CZ-CB 3.96Å; F47-Y143 HydrophobicContact CE1-CD1 4.4Å; F47-Y143 HydrophobicContact CE1-CE1 4.32Å; F47-Y143 AromaticContact CZ-CD1 3.99Å; F47-Y143 HydrophobicContact CZ-CD1 3.99Å; F47-Y143 HydrophobicContact CZ-CE1 4.35Å; F47-Y143 HydrophobicContact CZ-CG 4.32Å; F47-K173 HydrophobicContact CD2-CD 4.48Å; F47-K173 HydrophobicContact CE1-CD 4.21Å; F47-K173 HydrophobicContact CE2-CD 4.03Å; F47-K173 HydrophobicContact CZ-CD 3.89Å; F47-V216 HydrophobicContact CB-CG1 3.66Å; F47-V216 HydrophobicContact CD1-CG1 4.21Å; F47-V216 HydrophobicContact CD2-CG1 4.27Å; F47-V216 HydrophobicContact CG-CG1 3.81Å
48V98.8Very high97.2Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-93.8148.6-170-178.60000110.6I46 G50 W70 V81 I82 I83 H84I46-V48 HydrophobicContact CD1-CG2 3.73Å; I46-V48 HydrophobicContact CG1-CG2 4.02Å; V48-G50 PolarHBondContact O-N 3.5Å; V48-G50 VanDerWaalsContact O-N 3.15Å; V48-W70 HydrophobicContact CG1-CB 4.45Å; V48-W70 HydrophobicContact CG1-CG 4.03Å; V48-W70 HydrophobicContact CG2-CB 3.89Å; V48-W70 HydrophobicContact CG2-CD2 4.22Å; V48-W70 HydrophobicContact CG2-CG 3.72Å; V48-V81 HydrophobicContact CG2-CG1 4.14Å; V48-I82 PolarHBondContact N-O 2.99Å; V48-I83 HydrophobicContact CB-CD1 3.8Å; V48-I83 HydrophobicContact CG1-CD1 4.2Å; V48-I83 HydrophobicContact CG2-CD1 4.04Å; V48-H84 WeakPolarHBondContact O-CB 3.36Å; V48-H84 PolarHBondContact O-N 2.88Å
49N98.7Very high97.3Very high2 Ų246.7 Ų46.71%0.01126%0.256CS..SBendtrans58.524.7177.6-60.6-17.6000114.5G55 R63 V66 H84N49-G55 WeakPolarHBondContact O-CA 3.33Å; N49-R63 PolarHBondContact ND2-O 3.34Å; N49-V66 WeakPolarHBondContact OD1-CG1 3.5Å; N49-H84 WeakPolarHBondContact O-CB 3.32Å; N49-H84 PolarHBondContact O-ND1 2.86Å
50G98.1Very high97.4Very high2 Ų241 Ų412%0.02123%0.233CC..SBendtrans-72.6-169.6168.100000112.6V48 T52 G53 E54 G55V48-G50 PolarHBondContact O-N 3.5Å; V48-G50 VanDerWaalsContact O-N 3.15Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.89Å; G50-G53 CarbonylContact O-C 3.49Å; G50-G53 PolarHBondContact O-N 3.39Å; G50-G53 VanDerWaalsContact O-N 3.13Å; G50-E54 PolarHBondContact O-N 2.73Å; G50-G55 PolarHBondContact O-N 2.94Å; G50-G55 VanDerWaalsContact O-N 3.08Å
51T97.6Very high97.7Very high65 Ų6538 Ų3840%0.39923%0.227SC..THydrogen-bonded Turntrans-57-43.6173.2-46.70000111.6G53 E54 Y143 L148T51-G53 VanDerWaalsContact C-N 3.27Å; T51-G53 PolarHBondContact O-N 2.98Å; T51-E54 PolarHBondContact O-N 3.41Å; T51-E54 VanDerWaalsContact O-N 3.07Å; T51-Y143 PolarHBondContact OG1-OH 3.06Å; T51-L148 HydrophobicContact CG2-CD1 3.77Å
52T97.8Very high98Very high43 Ų4336.7 Ų36.726%0.26422%0.221SC..THydrogen-bonded Turntrans-64.8-29.1177.4-50.50000113.4A14 I16 G50 E54A14-T52 HydrophobicContact CB-CG2 4.43Å; A14-T52 WeakPolarHBondContact O-CG2 3.44Å; I16-T52 HydrophobicContact CG1-CG2 3.76Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.89Å; T52-E54 VanDerWaalsContact C-N 3.28Å
53G98Very high98.2Very high0 Ų034.5 Ų34.50%020%0.196CC..THydrogen-bonded Turntrans-90.69.9175.100000113.2T15 T17 G50 T51 G55T15-G53 WeakPolarHBondContact O-CA 3.4Å; T15-G53 PolarHBondContact O-N 3.33Å; T17-G53 WeakPolarHBondContact CB-O 2.72Å; T17-G53 PolarHBondContact OG1-O 3.44Å; G50-G53 CarbonylContact O-C 3.49Å; G50-G53 PolarHBondContact O-N 3.39Å; G50-G53 VanDerWaalsContact O-N 3.13Å; T51-G53 VanDerWaalsContact C-N 3.27Å; T51-G53 PolarHBondContact O-N 2.98Å; G53-G55 PolarHBondContact O-N 2.88Å
54E98.3Very high98.4Very high93 Ų9338.6 Ų38.644%0.43521%0.211SC..THydrogen-bonded Turntrans54.529.7-179.6-56-176-113.100113.1G50 T51 T52 L56 S57 L58G50-E54 PolarHBondContact O-N 2.73Å; T51-E54 PolarHBondContact O-N 3.41Å; T51-E54 VanDerWaalsContact O-N 3.07Å; T52-E54 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 2.91Å; E54-S57 WeakPolarHBondContact O-CA 3.47Å; E54-S57 VanDerWaalsContact O-CB 3.26Å; E54-S57 WeakPolarHBondContact O-CB 3.25Å; E54-S57 PolarHBondContact O-N 3.03Å; E54-L58 PolarHBondContact O-N 2.93Å
55G98.4Very high98.5Very high1 Ų137.2 Ų37.21%0.0121%0.207CC..THydrogen-bonded Turntrans-65.9-19.9-161.600000115.9N49 G50 G53 R63N49-G55 WeakPolarHBondContact O-CA 3.33Å; G50-G55 PolarHBondContact O-N 2.94Å; G50-G55 VanDerWaalsContact O-N 3.08Å; G53-G55 PolarHBondContact O-N 2.88Å; G55-R63 WeakPolarHBondContact O-CD 3.3Å; G55-R63 PolarHBondContact O-NE 2.95Å
56L98.1Very high98.5Very high74 Ų7436.7 Ų36.739%0.38720%0.204SC..THydrogen-bonded Turntrans-89-8.6173.1-94.768.8000113.4E54 G86 F114E54-L56 PolarHBondContact O-N 2.91Å; L56-G86 WeakPolarHBondContact CD1-O 3.24Å; L56-F114 HydrophobicContact CD2-CE1 3.6Å; L56-F114 HydrophobicContact CD2-CZ 3.52Å
57S98.6Very high98.6Very high96 Ų9636.8 Ų36.867%0.67121%0.205SC*.THydrogen-bonded Turntrans-82.7-24.2169.1-53.20000111.7E54E54-S57 WeakPolarHBondContact O-CA 3.47Å; E54-S57 VanDerWaalsContact O-CB 3.26Å; E54-S57 WeakPolarHBondContact O-CB 3.25Å; E54-S57 PolarHBondContact O-N 3.03Å
58L98.7Very high98.6Very high13 Ų1340.1 Ų40.17%0.06822%0.22CC..SBendtrans-78.2142.9178-57.2-177.8000111.4T17 M19 I25 E54 E62 R63 V66T17-L58 HydrophobicContact CG2-CD1 4.11Å; T17-L58 HydrophobicContact CG2-CD2 4.48Å; M19-L58 HydrophobicContact CE-CD2 3.79Å; I25-L58 HydrophobicContact CD1-CD1 4.12Å; I25-L58 HydrophobicContact CD1-CD2 4.03Å; I25-L58 HydrophobicContact CG1-CD2 4.36Å; E54-L58 PolarHBondContact O-N 2.93Å; L58-E62 HydrophobicContact CB-CB 4.07Å; L58-R63 HydrophobicContact CB-CG 3.67Å; L58-R63 HydrophobicContact CD1-CG 4.29Å; L58-V66 HydrophobicContact CD1-CG1 4.35Å
59S98.8Very high98.6Very high56 Ų5642.2 Ų42.239%0.39223%0.23SC..  trans-63.7160.9168.268.20000111.7S61 E62 R63S59-S61 PolarHBondContact O-N 2.87Å; S59-E62 VanDerWaalsContact CB-OE2 3.23Å; S59-E62 WeakPolarHBondContact CB-OE2 3.49Å; S59-E62 PolarHBondContact N-OE2 3Å; S59-E62 PolarHBondContact O-N 3.44Å; S59-E62 WeakPolarHBondContact OG-CB 3.33Å; S59-E62 WeakPolarHBondContact OG-CG 3.28Å; S59-E62 PolarHBondContact OG-N 3.44Å; S59-E62 PolarHBondContact OG-OE2 2.89Å; S59-R63 VanDerWaalsContact O-CG 3.3Å; S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-N 3.14Å
60V98.8Very high98.6Very high26 Ų2642.1 Ų42.116%0.15823%0.23CC..Hα-helixtrans-56.4-39.8174.7176.30000111.4R63 R64 E92 E95 L96V60-R63 PolarHBondContact O-N 2.81Å; V60-R64 VanDerWaalsContact O-CG 3.26Å; V60-R64 WeakPolarHBondContact O-CG 3.32Å; V60-R64 PolarHBondContact O-N 3.15Å; V60-R64 VanDerWaalsContact O-N 3.09Å; V60-E92 HydrophobicContact CG2-CB 3.9Å; V60-E92 HydrophobicContact CG2-CG 3.77Å; V60-E95 HydrophobicContact CG1-CG 4.4Å; V60-E95 WeakPolarHBondContact CG1-OE1 3.43Å; V60-L96 HydrophobicContact CG1-CD2 4.08Å; V60-L96 HydrophobicContact CG1-CG 4.26Å
61S98.8Very high98.6Very high68 Ų6843.1 Ų43.148%0.47624%0.235SC..Hα-helixtrans-60.8-51176.6-1740000111.6S59 R63 R64 Q65S59-S61 PolarHBondContact O-N 2.87Å; S61-R63 VanDerWaalsContact C-N 3.33Å; S61-R63 PolarHBondContact O-N 3.34Å; S61-R64 WeakPolarHBondContact O-CB 3.15Å; S61-R64 PolarHBondContact O-N 3.33Å; S61-R64 VanDerWaalsContact O-N 3.16Å; S61-Q65 WeakPolarHBondContact O-CG 3.49Å; S61-Q65 PolarHBondContact O-N 3.13Å; S61-Q65 PolarHBondContact O-OE1 3.1Å; S61-Q65 PolarHBondContact OG-OE1 3.34Å
62E98.9Very high98.7Very high47 Ų4744.4 Ų44.422%0.2224%0.243CC..Hα-helixtrans-60.6-42179.4-77.4167121.900112.2I25 L58 S59 R64 Q65 V66I25-E62 HydrophobicContact CD1-CB 3.69Å; I25-E62 HydrophobicContact CD1-CG 3.99Å; L58-E62 HydrophobicContact CB-CB 4.07Å; S59-E62 VanDerWaalsContact CB-OE2 3.23Å; S59-E62 WeakPolarHBondContact CB-OE2 3.49Å; S59-E62 PolarHBondContact N-OE2 3Å; S59-E62 PolarHBondContact O-N 3.44Å; S59-E62 WeakPolarHBondContact OG-CB 3.33Å; S59-E62 WeakPolarHBondContact OG-CG 3.28Å; S59-E62 PolarHBondContact OG-N 3.44Å; S59-E62 PolarHBondContact OG-OE2 2.89Å; E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 2.65Å; E62-V66 WeakPolarHBondContact O-CB 3.01Å; E62-V66 WeakPolarHBondContact O-CG1 3.39Å; E62-V66 PolarHBondContact O-N 3.04Å
63R98.9Very high98.7Very high7 Ų746.4 Ų46.43%0.02625%0.248CC..Hα-helixtrans-60.6-38.7176.6-70.2175.572.3170.72.8112.4N49 G55 L58 S59 V60 S61 V66 A67 H84 V85 G86 L96N49-R63 PolarHBondContact ND2-O 3.34Å; G55-R63 WeakPolarHBondContact O-CD 3.3Å; G55-R63 PolarHBondContact O-NE 2.95Å; L58-R63 HydrophobicContact CB-CG 3.67Å; L58-R63 HydrophobicContact CD1-CG 4.29Å; S59-R63 VanDerWaalsContact O-CG 3.3Å; S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-N 3.14Å; V60-R63 PolarHBondContact O-N 2.81Å; S61-R63 VanDerWaalsContact C-N 3.33Å; S61-R63 PolarHBondContact O-N 3.34Å; R63-V66 WeakPolarHBondContact O-CG1 3.29Å; R63-A67 WeakPolarHBondContact O-CB 3.33Å; R63-A67 PolarHBondContact O-N 3.11Å; R63-A67 VanDerWaalsContact O-N 3.1Å; R63-H84 PolarHBondContact NH2-O 3.02Å; R63-V85 VanDerWaalsContact NH2-C 3.25Å; R63-G86 PolarHBondContact NH1-O 2.99Å; R63-G86 PolarHBondContact NH2-O 2.95Å; R63-L96 HydrophobicContact CB-CD2 3.79Å
64R98.9Very high98.7Very high87 Ų8746.5 Ų46.533%0.32825%0.249SC..Hα-helixtrans-67.2-49.5176-70.3170.957.8-172.5-8110.8V60 S61 E62 V66 A67 E68 E95 L96 H99V60-R64 VanDerWaalsContact O-CG 3.26Å; V60-R64 WeakPolarHBondContact O-CG 3.32Å; V60-R64 PolarHBondContact O-N 3.15Å; V60-R64 VanDerWaalsContact O-N 3.09Å; S61-R64 WeakPolarHBondContact O-CB 3.15Å; S61-R64 PolarHBondContact O-N 3.33Å; S61-R64 VanDerWaalsContact O-N 3.16Å; E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 2.94Å; R64-V66 PolarHBondContact O-N 2.79Å; R64-A67 PolarHBondContact O-N 3.31Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 3.31Å; R64-E95 IonicContact CZ-OE1 3.58Å; R64-E95 IonicContact NH1-OE1 2.73Å; R64-E95 PolarHBondContact NH1-OE1 3.15Å; R64-L96 HydrophobicContact CG-CD2 3.78Å; R64-H99 VanDerWaalsContact CA-CE1 3.45Å; R64-H99 WeakPolarHBondContact CA-CE1 3.46Å; R64-H99 HydrophobicContact CG-CB 4.3Å; R64-H99 PolarHBondContact O-CE1 3.37Å; R64-H99 VanDerWaalsContact O-CE1 3.22Å
65Q98.9Very high98.7Very high85 Ų8549.2 Ų49.240%0.39726%0.259SS..Hα-helixtrans-61.5-43.8-179.3-68.1172.8-85.900112.2F27 S61 E62 E68 E69F27-Q65 HydrophobicContact CE1-CB 3.88Å; F27-Q65 HydrophobicContact CZ-CB 3.82Å; S61-Q65 WeakPolarHBondContact O-CG 3.49Å; S61-Q65 PolarHBondContact O-N 3.13Å; S61-Q65 PolarHBondContact O-OE1 3.1Å; S61-Q65 PolarHBondContact OG-OE1 3.34Å; E62-Q65 PolarHBondContact O-N 2.65Å; Q65-E68 WeakPolarHBondContact O-CB 3.43Å; Q65-E68 PolarHBondContact O-N 3.12Å; Q65-E69 PolarHBondContact O-N 3.23Å; Q65-E69 VanDerWaalsContact O-N 3.1Å
66V98.8Very high98.6Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-71.6-34179.677.60000111.5T17 I25 F27 I30 N49 L58 E62 R63 R64 E69 W70T17-V66 HydrophobicContact CG2-CG2 4.41Å; I25-V66 HydrophobicContact CD1-CB 4.28Å; I25-V66 HydrophobicContact CG2-CG2 4.25Å; F27-V66 HydrophobicContact CE1-CB 4.06Å; F27-V66 HydrophobicContact CE1-CG2 4.44Å; I30-V66 HydrophobicContact CD1-CG2 3.74Å; N49-V66 WeakPolarHBondContact OD1-CG1 3.5Å; L58-V66 HydrophobicContact CD1-CG1 4.35Å; E62-V66 WeakPolarHBondContact O-CB 3.01Å; E62-V66 WeakPolarHBondContact O-CG1 3.39Å; E62-V66 PolarHBondContact O-N 3.04Å; R63-V66 WeakPolarHBondContact O-CG1 3.29Å; R64-V66 PolarHBondContact O-N 2.79Å; V66-E69 PolarHBondContact O-N 3.24Å; V66-W70 PolarHBondContact O-N 3.02Å
67A98.9Very high98.6Very high1 Ų156.9 Ų56.91%0.00830%0.297CS..Hα-helixtrans-64.6-43.1173.400000111.9R63 R64 E69 W70 V71 I83 I103R63-A67 WeakPolarHBondContact O-CB 3.33Å; R63-A67 PolarHBondContact O-N 3.11Å; R63-A67 VanDerWaalsContact O-N 3.1Å; R64-A67 PolarHBondContact O-N 3.31Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.12Å; A67-W70 PolarHBondContact O-N 3.24Å; A67-V71 WeakPolarHBondContact O-CB 3.47Å; A67-V71 WeakPolarHBondContact O-CG2 3.33Å; A67-V71 PolarHBondContact O-N 3.3Å; A67-I83 HydrophobicContact CB-CD1 3.89Å; A67-I83 HydrophobicContact CB-CG1 4.27Å; A67-I83 HydrophobicContact CB-CG2 4.08Å; A67-I103 HydrophobicContact CB-CD1 3.9Å
68E98.9Very high98.6Very high77 Ų7753.1 Ų53.136%0.3627%0.269SS..Hα-helixtrans-55.5-46.7172.9-76.8164.4-163.200111.5R64 Q65 V71 T72 H99 I103R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 3.31Å; Q65-E68 WeakPolarHBondContact O-CB 3.43Å; Q65-E68 PolarHBondContact O-N 3.12Å; E68-V71 PolarHBondContact O-N 3.46Å; E68-T72 WeakPolarHBondContact O-CB 3.37Å; E68-T72 PolarHBondContact O-N 2.91Å; E68-T72 PolarHBondContact O-OG1 2.68Å; E68-H99 IonicContact OE1-CD2 3.73Å; E68-H99 IonicContact OE1-CE1 2.81Å; E68-H99 IonicContact OE1-NE2 2.73Å; E68-H99 PolarHBondContact OE1-NE2 3.1Å; E68-I103 HydrophobicContact CG-CD1 4.5Å; E68-I103 HydrophobicContact CG-CG2 3.68Å
69E98.8Very high98.5Very high44 Ų4456 Ų5621%0.20629%0.285CS..Hα-helixtrans-64.8-45.4-179.4-169.363.8-16500111.4F27 I30 Q65 V66 A67 T72 K73F27-E69 HydrophobicContact CB-CG 4.32Å; F27-E69 HydrophobicContact CD1-CB 4.15Å; F27-E69 HydrophobicContact CD1-CG 4.31Å; I30-E69 HydrophobicContact CB-CG 3.85Å; I30-E69 HydrophobicContact CD1-CB 4.08Å; I30-E69 HydrophobicContact CD1-CG 3.74Å; I30-E69 HydrophobicContact CG1-CG 4.32Å; I30-E69 HydrophobicContact CG2-CG 3.91Å; Q65-E69 PolarHBondContact O-N 3.23Å; Q65-E69 VanDerWaalsContact O-N 3.1Å; V66-E69 PolarHBondContact O-N 3.24Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.12Å; E69-T72 PolarHBondContact O-N 2.91Å; E69-K73 HydrophobicContact CG-CG 4.3Å; E69-K73 WeakPolarHBondContact O-CB 3.36Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.33Å; E69-K73 PolarHBondContact O-N 3.43Å; E69-K73 WeakPolarHBondContact OE1-CE 3.49Å; E69-K73 WeakPolarHBondContact OE1-CG 3.44Å; E69-K73 IonicContact OE1-NZ 3.79Å
70W98.9Very high98.5Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-62.8-44.6177-81.9113000113T15 I30 Y33 V34 L37 I46 V48 V66 A67 G74 V81T15-W70 HydrophobicContact CG2-CE3 4.46Å; T15-W70 HydrophobicContact CG2-CH2 3.59Å; T15-W70 HydrophobicContact CG2-CZ2 3.81Å; T15-W70 HydrophobicContact CG2-CZ3 3.94Å; I30-W70 HydrophobicContact CG1-CZ2 4.34Å; I30-W70 HydrophobicContact CG2-CD2 3.62Å; I30-W70 HydrophobicContact CG2-CE3 3.68Å; I30-W70 HydrophobicContact CG2-CG 4.15Å; I30-W70 HydrophobicContact CG2-CH2 4.23Å; I30-W70 HydrophobicContact CG2-CZ2 4.15Å; I30-W70 HydrophobicContact CG2-CZ3 4Å; Y33-W70 AromaticContact CD1-CH2 3.43Å; Y33-W70 HydrophobicContact CD1-CH2 3.43Å; Y33-W70 VanDerWaalsContact CD1-CH2 3.43Å; Y33-W70 AromaticContact CD1-CZ2 3.84Å; Y33-W70 HydrophobicContact CD1-CZ2 3.84Å; Y33-W70 AromaticContact CE1-CH2 3.93Å; Y33-W70 HydrophobicContact CE1-CH2 3.93Å; Y33-W70 HydrophobicContact CE1-CZ2 4.18Å; Y33-W70 AromaticContact CG-CH2 3.86Å; Y33-W70 HydrophobicContact CG-CH2 3.86Å; V34-W70 HydrophobicContact CG2-CE3 3.7Å; V34-W70 HydrophobicContact CG2-CZ3 3.51Å; L37-W70 HydrophobicContact CD1-CH2 4.41Å; L37-W70 HydrophobicContact CD1-CZ3 4.3Å; I46-W70 HydrophobicContact CD1-CB 4.17Å; I46-W70 HydrophobicContact CD1-CD2 3.88Å; I46-W70 HydrophobicContact CD1-CE3 3.32Å; I46-W70 HydrophobicContact CD1-CG 4.25Å; I46-W70 HydrophobicContact CD1-CZ3 3.96Å; V48-W70 HydrophobicContact CG1-CB 4.45Å; V48-W70 HydrophobicContact CG1-CG 4.03Å; V48-W70 HydrophobicContact CG2-CB 3.89Å; V48-W70 HydrophobicContact CG2-CD2 4.22Å; V48-W70 HydrophobicContact CG2-CG 3.72Å; V66-W70 PolarHBondContact O-N 3.02Å; A67-W70 PolarHBondContact O-N 3.24Å; W70-G74 WeakPolarHBondContact O-CA 3.42Å; W70-G74 PolarHBondContact O-N 2.79Å; W70-V81 HydrophobicContact CB-CG1 4.36Å
71V98.8Very high98.5Very high22 Ų2253 Ų5313%0.13326%0.263CS..Hα-helixtrans-65.1-43.5177.6173.50000110.6A67 E68 G74 K75 V81 I83 I103 A105A67-V71 WeakPolarHBondContact O-CB 3.47Å; A67-V71 WeakPolarHBondContact O-CG2 3.33Å; A67-V71 PolarHBondContact O-N 3.3Å; E68-V71 PolarHBondContact O-N 3.46Å; V71-G74 PolarHBondContact O-N 3.49Å; V71-K75 PolarHBondContact O-N 3.49Å; V71-V81 HydrophobicContact CG2-CB 4.25Å; V71-V81 HydrophobicContact CG2-CG1 3.72Å; V71-I83 HydrophobicContact CG2-CD1 4.3Å; V71-I103 HydrophobicContact CB-CD1 4.24Å; V71-I103 WeakPolarHBondContact CG1-O 3.35Å; V71-I103 HydrophobicContact CG2-CD1 3.72Å; V71-I103 HydrophobicContact CG2-CG1 4.17Å; V71-A105 HydrophobicContact CG2-CB 4.11Å
72T98.8Very high98.5Very high93 Ų9349.8 Ų49.857%0.57124%0.241SC*.Hα-helixtrans-65-47.2-180-60.90000112E68 E69 K75E68-T72 WeakPolarHBondContact O-CB 3.37Å; E68-T72 PolarHBondContact O-N 2.91Å; E68-T72 PolarHBondContact O-OG1 2.68Å; E69-T72 PolarHBondContact O-N 2.91Å; T72-K75 WeakPolarHBondContact O-CB 3.28Å
73K98.6Very high98.5Very high85 Ų8547.9 Ų47.937%0.3723%0.232SC..Hα-helixtrans-75.3-26.7-179.5-63.4-60-179.7-177.50113.1I30 V34 E69 K75I30-K73 HydrophobicContact CG2-CB 4.38Å; I30-K73 HydrophobicContact CG2-CG 4.32Å; V34-K73 HydrophobicContact CG2-CB 4.02Å; E69-K73 HydrophobicContact CG-CG 4.3Å; E69-K73 WeakPolarHBondContact O-CB 3.36Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.33Å; E69-K73 PolarHBondContact O-N 3.43Å; E69-K73 WeakPolarHBondContact OE1-CE 3.49Å; E69-K73 WeakPolarHBondContact OE1-CG 3.44Å; E69-K73 IonicContact OE1-NZ 3.79Å; K73-K75 VanDerWaalsContact C-N 3.35Å
74G98.4Very high98.5Very high2 Ų247.6 Ų47.62%0.02123%0.231CC..Hα-helixtrans-75.1-21.1176.300000114.2W70 V71 D76 K77 L78W70-G74 WeakPolarHBondContact O-CA 3.42Å; W70-G74 PolarHBondContact O-N 2.79Å; V71-G74 PolarHBondContact O-N 3.49Å; G74-D76 PolarHBondContact O-N 3Å; G74-K77 PolarHBondContact O-N 3.35Å; G74-L78 PolarHBondContact O-N 3.08Å
75K97.8Very high98.5Very high149 Ų14943.5 Ų43.565%0.64822%0.215SC*.THydrogen-bonded Turntrans-54131.7-179.6-175.3175.3176175.10111.7V71 T72 K73 K77V71-K75 PolarHBondContact O-N 3.49Å; T72-K75 WeakPolarHBondContact O-CB 3.28Å; K73-K75 VanDerWaalsContact C-N 3.35Å; K75-K77 PolarHBondContact O-N 3.44Å; K75-K77 VanDerWaalsContact O-N 3.11Å
76D97.1Very high98.5Very high154 Ų15439.4 Ų39.482%0.82420%0.196SC*.THydrogen-bonded Turntrans60.611.1-178.3-53.4-45.6000115G74G74-D76 PolarHBondContact O-N 3Å
77K97.8Very high98.5Very high82 Ų8239.6 Ų39.636%0.35720%0.197SC..THydrogen-bonded Turntrans-122.3-44.9178.1-62.6-174.1-175.7-174.50112.9V34 D35 V38 G74 K75V34-K77 HydrophobicContact CG1-CB 3.98Å; V34-K77 HydrophobicContact CG1-CD 3.78Å; D35-K77 WeakPolarHBondContact OD1-CD 3.45Å; D35-K77 WeakPolarHBondContact OD1-CE 3.2Å; D35-K77 IonicContact OD1-NZ 3.96Å; D35-K77 PolarHBondContact OD1-NZ 3.49Å; D35-K77 IonicContact OD2-NZ 2.7Å; D35-K77 PolarHBondContact OD2-NZ 3.21Å; D35-K77 VanDerWaalsContact OD2-NZ 3.1Å; V38-K77 HydrophobicContact CG2-CB 4.42Å; G74-K77 PolarHBondContact O-N 3.35Å; K75-K77 PolarHBondContact O-N 3.44Å; K75-K77 VanDerWaalsContact O-N 3.11Å
78L97.8Very high98.5Very high18 Ų1843.5 Ų43.59%0.09422%0.218CC..  trans-98.6145.7177.5-66.5168.7000110V34 V38 K44 I46 G74 V81V34-L78 HydrophobicContact CG1-CD1 4.11Å; V34-L78 HydrophobicContact CG1-CG 4.13Å; V34-L78 HydrophobicContact CG2-CD1 4.32Å; V38-L78 HydrophobicContact CG2-CD2 3.68Å; V38-L78 HydrophobicContact CG2-CG 4.29Å; K44-L78 CarbonylContact O-C 3.56Å; K44-L78 WeakPolarHBondContact O-CA 3.32Å; K44-L78 WeakPolarHBondContact O-CB 3.35Å; I46-L78 HydrophobicContact CB-CD1 4.48Å; I46-L78 HydrophobicContact CD1-CD1 3.56Å; I46-L78 HydrophobicContact CG1-CD1 3.86Å; I46-L78 HydrophobicContact CG2-CD1 3.85Å; I46-L78 HydrophobicContact CG2-CD2 4.16Å; G74-L78 PolarHBondContact O-N 3.08Å; L78-V81 HydrophobicContact CB-CG2 4.42Å; L78-V81 HydrophobicContact CD1-CG2 4.08Å
79D97.8Very high98.5Very high74 Ų7442 Ų4240%0.39622%0.216SC..SBendtrans-72.8-39.6173.3-80.48.1000110.6K6 K44K6-D79 IonicContact NZ-OD2 3.71Å; K44-D79 HydrophobicContact CB-CB 4.06Å; K44-D79 PolarHBondContact O-N 3.01Å
80Q98.4Very high98.5Very high12 Ų1242.6 Ų42.66%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-147.4136.9178.8-63.7-168.341.800114.4K6 L8 K44 N45 I46 I82 D106K6-Q80 PolarHBondContact O-NE2 2.7Å; L8-Q80 VanDerWaalsContact CA-NE2 3.34Å; L8-Q80 HydrophobicContact CD1-CB 4.06Å; L8-Q80 HydrophobicContact CD1-CG 4.35Å; K44-Q80 PolarHBondContact O-N 3.46Å; N45-Q80 VanDerWaalsContact CA-O 3.3Å; N45-Q80 WeakPolarHBondContact CA-O 3.05Å; N45-Q80 HydrophobicContact CB-CB 4.46Å; I46-Q80 PolarHBondContact N-O 3.2Å; Q80-I82 HydrophobicContact CB-CD1 4.38Å; Q80-D106 WeakPolarHBondContact CA-OD2 3.33Å; Q80-D106 HydrophobicContact CB-CB 3.93Å; Q80-D106 HydrophobicContact CG-CB 4.06Å
81V98.7Very high98.5Very high5 Ų550.5 Ų50.53%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-113.8109169.7-178.40000109.9I46 V48 W70 V71 L78 I83 D106I46-V81 HydrophobicContact CD1-CB 4.37Å; I46-V81 HydrophobicContact CD1-CG1 3.85Å; I46-V81 HydrophobicContact CD1-CG2 3.94Å; I46-V81 HydrophobicContact CG1-CB 4.14Å; I46-V81 HydrophobicContact CG1-CG1 3.92Å; I46-V81 HydrophobicContact CG1-CG2 3.96Å; V48-V81 HydrophobicContact CG2-CG1 4.14Å; W70-V81 HydrophobicContact CB-CG1 4.36Å; V71-V81 HydrophobicContact CG2-CB 4.25Å; V71-V81 HydrophobicContact CG2-CG1 3.72Å; L78-V81 HydrophobicContact CB-CG2 4.42Å; L78-V81 HydrophobicContact CD1-CG2 4.08Å; V81-I83 HydrophobicContact CG1-CD1 3.81Å; V81-D106 PolarHBondContact N-OD2 3.33Å; V81-D106 PolarHBondContact O-N 3.35Å
82I98.8Very high98.5Very high2 Ų253.5 Ų53.51%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-101.1126.7178.9-50.7-55.7000110L8 I46 F47 V48 Q80 D106 G107 A109 Y141L8-I82 HydrophobicContact CD2-CD1 4.09Å; L8-I82 HydrophobicContact CD2-CG1 3.77Å; I46-I82 PolarHBondContact O-N 3.39Å; F47-I82 WeakPolarHBondContact CA-O 3.27Å; F47-I82 HydrophobicContact CD2-CB 4.37Å; F47-I82 HydrophobicContact CD2-CG2 4.09Å; F47-I82 HydrophobicContact CE2-CG2 4.43Å; V48-I82 PolarHBondContact N-O 2.99Å; Q80-I82 HydrophobicContact CB-CD1 4.38Å; I82-D106 HydrophobicContact CD1-CB 4.32Å; I82-G107 WeakPolarHBondContact CA-O 3.46Å; I82-A109 HydrophobicContact CG2-CB 4.16Å; I82-Y141 HydrophobicContact CD1-CE2 3.88Å; I82-Y141 HydrophobicContact CG2-CD2 4.15Å
83I98.9Very high98.5Very high6 Ų649 Ų493%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-100.5122179.4-48.9-55.9000109.7V48 A67 V71 V81 V85 A100 A105 G107 I108 A109V48-I83 HydrophobicContact CB-CD1 3.8Å; V48-I83 HydrophobicContact CG1-CD1 4.2Å; V48-I83 HydrophobicContact CG2-CD1 4.04Å; A67-I83 HydrophobicContact CB-CD1 3.89Å; A67-I83 HydrophobicContact CB-CG1 4.27Å; A67-I83 HydrophobicContact CB-CG2 4.08Å; V71-I83 HydrophobicContact CG2-CD1 4.3Å; V81-I83 HydrophobicContact CG1-CD1 3.81Å; I83-V85 HydrophobicContact CB-CG1 4.17Å; I83-V85 HydrophobicContact CG2-CG1 3.81Å; I83-V85 PolarHBondContact O-N 3.37Å; I83-A100 HydrophobicContact CB-CB 4.28Å; I83-A100 HydrophobicContact CG1-CB 4.3Å; I83-A105 HydrophobicContact CG1-CB 3.75Å; I83-G107 PolarHBondContact N-O 2.79Å; I83-I108 CarbonylContact O-C 3.51Å; I83-I108 VanDerWaalsContact O-CA 3.29Å; I83-I108 WeakPolarHBondContact O-CA 3.07Å; I83-A109 PolarHBondContact O-N 2.98Å
84H98.9Very high98.5Very high2 Ų247.5 Ų47.51%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-74.8110.1166.4177.9-113000109.5F47 V48 N49 R63 A109 I111 Y143F47-H84 HydrophobicContact CE1-CB 3.92Å; F47-H84 HydrophobicContact CE2-CB 4.38Å; F47-H84 HydrophobicContact CZ-CB 3.71Å; V48-H84 WeakPolarHBondContact O-CB 3.36Å; V48-H84 PolarHBondContact O-N 2.88Å; N49-H84 WeakPolarHBondContact O-CB 3.32Å; N49-H84 PolarHBondContact O-ND1 2.86Å; R63-H84 PolarHBondContact NH2-O 3.02Å; H84-A109 CarbonylContact C-O 3.46Å; H84-A109 WeakPolarHBondContact CA-O 3.39Å; H84-A109 PolarHBondContact CD2-O 3.34Å; H84-I111 WeakPolarHBondContact NE2-CB 3.19Å; H84-I111 WeakPolarHBondContact NE2-CG2 3.48Å; H84-I111 PolarHBondContact NE2-N 3.29Å; H84-Y143 AromaticContact CD2-CD1 3.9Å; H84-Y143 AromaticContact NE2-CD1 3.86Å
85V98.9Very high98.5Very high0 Ų051.3 Ų51.30%025%0.251CS..  trans-104.51.3-176.2-58.90000112.5R63 I83 S93 L96 A97 A100 I108 A109 V110 V131R63-V85 VanDerWaalsContact NH2-C 3.25Å; I83-V85 HydrophobicContact CB-CG1 4.17Å; I83-V85 HydrophobicContact CG2-CG1 3.81Å; I83-V85 PolarHBondContact O-N 3.37Å; V85-S93 WeakPolarHBondContact O-CA 3.48Å; V85-S93 WeakPolarHBondContact O-CB 3.45Å; V85-S93 PolarHBondContact O-OG 2.95Å; V85-L96 HydrophobicContact CB-CB 3.76Å; V85-L96 HydrophobicContact CG1-CB 3.98Å; V85-L96 WeakPolarHBondContact CG1-O 3.37Å; V85-A97 HydrophobicContact CG2-CB 4.07Å; V85-A100 HydrophobicContact CG1-CB 4.17Å; V85-I108 HydrophobicContact CG1-CB 4.26Å; V85-I108 HydrophobicContact CG1-CG2 3.84Å; V85-I108 HydrophobicContact CG2-CB 3.9Å; V85-I108 HydrophobicContact CG2-CD1 4.18Å; V85-I108 HydrophobicContact CG2-CG2 4.26Å; V85-A109 PolarHBondContact N-O 3.02Å; V85-V110 HydrophobicContact CG2-CG2 3.72Å; V85-V131 HydrophobicContact CG2-CG1 4.07Å
86G98.7Very high98.6Very high0 Ų044.5 Ų44.50%022%0.222CC..  trans-59.9140178.600000112.6L56 R63L56-G86 WeakPolarHBondContact CD1-O 3.24Å; R63-G86 PolarHBondContact NH1-O 2.99Å; R63-G86 PolarHBondContact NH2-O 2.95Å
87A98.7Very high98.7Very high3 Ų337.1 Ų37.13%0.02518%0.183CC..  trans-146.7165.6176.500000109.3S89 E92A87-S89 VanDerWaalsContact C-N 3.33Å; A87-E92 HydrophobicContact CB-CB 3.95Å
88L98.6Very high98.7Very high84 Ų8438.2 Ų38.244%0.4419%0.189SC..SBendtrans-73.4-30.7173.7-62.4179.8000111.7F114 F115L88-F114 HydrophobicContact CD2-CD1 4.02Å; L88-F114 HydrophobicContact CD2-CD2 4.02Å; L88-F114 HydrophobicContact CD2-CE1 3.91Å; L88-F114 HydrophobicContact CD2-CE2 3.91Å; L88-F114 HydrophobicContact CD2-CG 4.08Å; L88-F114 HydrophobicContact CD2-CZ 3.86Å; L88-F115 HydrophobicContact CD1-CB 4.1Å; L88-F115 HydrophobicContact CD2-CB 4.1Å
89S98.7Very high98.8Very high45 Ų4537.8 Ų37.832%0.31519%0.186SC..SBendtrans-87.5125.7172.4176.80000110.3A87 K91 E92 S93A87-S89 VanDerWaalsContact C-N 3.33Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.49Å; S89-K91 PolarHBondContact OG-N 3.37Å; S89-E92 WeakPolarHBondContact CB-OE2 3.5Å; S89-E92 PolarHBondContact O-N 3.44Å; S89-S93 PolarHBondContact O-N 3.42Å; S89-S93 VanDerWaalsContact O-N 3.12Å
90L98.8Very high98.8Very high57 Ų5734.2 Ų34.230%0.29817%0.167SC..Hα-helixtrans-58.3-41.3174.317758.3000111.3E92 S93 Q94 F127 E130 V131L90-E92 PolarHBondContact O-N 2.75Å; L90-S93 PolarHBondContact O-N 2.93Å; L90-Q94 HydrophobicContact CD1-CG 4.14Å; L90-Q94 HydrophobicContact CG-CG 4.41Å; L90-Q94 WeakPolarHBondContact O-CG 3.28Å; L90-Q94 PolarHBondContact O-N 3.35Å; L90-F127 HydrophobicContact CB-CD2 4.24Å; L90-F127 HydrophobicContact CB-CE2 3.74Å; L90-F127 HydrophobicContact CD1-CD2 3.9Å; L90-F127 HydrophobicContact CD1-CE2 3.8Å; L90-F127 HydrophobicContact CD1-CG 4.4Å; L90-F127 HydrophobicContact CD1-CZ 4.2Å; L90-F127 HydrophobicContact CG-CE2 4.33Å; L90-E130 HydrophobicContact CD1-CB 3.85Å; L90-E130 HydrophobicContact CD2-CB 4.11Å; L90-E130 HydrophobicContact CD2-CG 4.36Å; L90-V131 HydrophobicContact CD1-CG2 3.62Å
91K98.9Very high98.8Very high166 Ų16635.5 Ų35.572%0.72218%0.18SC*.Hα-helixtrans-61.7-43.4-179-73-173.8170.7-173.60112.3S89 Q94 E95S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.49Å; S89-K91 PolarHBondContact OG-N 3.37Å; K91-Q94 PolarHBondContact O-N 3Å; K91-E95 PolarHBondContact O-N 3.15Å
92E98.9Very high98.8Very high84 Ų8441.2 Ų41.239%0.39321%0.206SC..Hα-helixtrans-66.3-41177.8-64175.5167.700110.8V60 A87 S89 L90 Q94 E95 L96V60-E92 HydrophobicContact CG2-CB 3.9Å; V60-E92 HydrophobicContact CG2-CG 3.77Å; A87-E92 HydrophobicContact CB-CB 3.95Å; S89-E92 WeakPolarHBondContact CB-OE2 3.5Å; S89-E92 PolarHBondContact O-N 3.44Å; L90-E92 PolarHBondContact O-N 2.75Å; E92-Q94 VanDerWaalsContact C-N 3.29Å; E92-Q94 PolarHBondContact O-N 3.28Å; E92-E95 PolarHBondContact O-N 3.34Å; E92-L96 WeakPolarHBondContact O-CB 3.45Å; E92-L96 WeakPolarHBondContact O-CD1 3.34Å; E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.44Å; E92-L96 PolarHBondContact O-N 3.19Å
93S98.9Very high98.8Very high0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-64.5-34.8176.9-1660000112.2V85 S89 L90 A97 V131V85-S93 WeakPolarHBondContact O-CA 3.48Å; V85-S93 WeakPolarHBondContact O-CB 3.45Å; V85-S93 PolarHBondContact O-OG 2.95Å; S89-S93 PolarHBondContact O-N 3.42Å; S89-S93 VanDerWaalsContact O-N 3.12Å; L90-S93 PolarHBondContact O-N 2.93Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 2.84Å; S93-V131 WeakPolarHBondContact OG-CG1 3.32Å; S93-V131 WeakPolarHBondContact OG-CG2 3.45Å
94Q98.9Very high98.8Very high53 Ų5344.9 Ų44.925%0.24824%0.235CC..Hα-helixtrans-69-44.2174-73.3173-40.500111.9L90 K91 E92 L96 A97 Q98 E130 A134L90-Q94 HydrophobicContact CD1-CG 4.14Å; L90-Q94 HydrophobicContact CG-CG 4.41Å; L90-Q94 WeakPolarHBondContact O-CG 3.28Å; L90-Q94 PolarHBondContact O-N 3.35Å; K91-Q94 PolarHBondContact O-N 3Å; E92-Q94 VanDerWaalsContact C-N 3.29Å; E92-Q94 PolarHBondContact O-N 3.28Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.45Å; Q94-A97 PolarHBondContact O-N 3.32Å; Q94-Q98 WeakPolarHBondContact O-CB 3.31Å; Q94-Q98 PolarHBondContact O-N 2.86Å; Q94-E130 PolarHBondContact NE2-O 2.81Å; Q94-A134 HydrophobicContact CB-CB 4.18Å; Q94-A134 HydrophobicContact CG-CB 4.35Å
95E98.9Very high98.8Very high81 Ų8145 Ų4538%0.37924%0.236SC..Hα-helixtrans-56.9-47.9174.7-179.6-177.616100110.9V60 R64 K91 E92 Q98 H99V60-E95 HydrophobicContact CG1-CG 4.4Å; V60-E95 WeakPolarHBondContact CG1-OE1 3.43Å; R64-E95 IonicContact CZ-OE1 3.58Å; R64-E95 IonicContact NH1-OE1 2.73Å; R64-E95 PolarHBondContact NH1-OE1 3.15Å; K91-E95 PolarHBondContact O-N 3.15Å; E92-E95 PolarHBondContact O-N 3.34Å; E95-Q98 PolarHBondContact O-N 2.94Å; E95-H99 VanDerWaalsContact O-CB 3.31Å; E95-H99 WeakPolarHBondContact O-CB 3.46Å; E95-H99 PolarHBondContact O-N 2.99Å
96L98.9Very high98.8Very high6 Ų646.4 Ų46.43%0.03124%0.244CC..Hα-helixtrans-67.2-36.3179.7-69.3166.9000112.6V60 R63 R64 V85 E92 Q94 A100V60-L96 HydrophobicContact CG1-CD2 4.08Å; V60-L96 HydrophobicContact CG1-CG 4.26Å; R63-L96 HydrophobicContact CB-CD2 3.79Å; R64-L96 HydrophobicContact CG-CD2 3.78Å; V85-L96 HydrophobicContact CB-CB 3.76Å; V85-L96 HydrophobicContact CG1-CB 3.98Å; V85-L96 WeakPolarHBondContact CG1-O 3.37Å; E92-L96 WeakPolarHBondContact O-CB 3.45Å; E92-L96 WeakPolarHBondContact O-CD1 3.34Å; E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.44Å; E92-L96 PolarHBondContact O-N 3.19Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.45Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.85Å
97A98.9Very high98.8Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-64.8-46.8174.600000111.6V85 S93 Q94 A100 A101 I108 V131 A134 A135V85-A97 HydrophobicContact CG2-CB 4.07Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 2.84Å; Q94-A97 PolarHBondContact O-N 3.32Å; A97-A100 PolarHBondContact O-N 2.85Å; A97-A101 PolarHBondContact O-N 3.4Å; A97-A101 VanDerWaalsContact O-N 3.17Å; A97-I108 HydrophobicContact CB-CD1 3.87Å; A97-V131 HydrophobicContact CB-CG1 3.86Å; A97-A134 HydrophobicContact CB-CB 4.05Å; A97-A135 HydrophobicContact CB-CB 4.28Å; A97-A135 WeakPolarHBondContact O-CB 3.4Å
98Q98.9Very high98.8Very high105 Ų10546.2 Ų46.249%0.49124%0.242SC..Hα-helixtrans-60.8-47.3176.2-174.1-175.1-3500110.8Q94 E95 A100 A101 E102Q94-Q98 WeakPolarHBondContact O-CB 3.31Å; Q94-Q98 PolarHBondContact O-N 2.86Å; E95-Q98 PolarHBondContact O-N 2.94Å; Q98-A100 PolarHBondContact O-N 2.8Å; Q98-A101 WeakPolarHBondContact O-CB 3.32Å; Q98-A101 PolarHBondContact O-N 3.45Å; Q98-A101 VanDerWaalsContact O-N 3.11Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.42Å; Q98-E102 PolarHBondContact NE2-OE1 3.08Å; Q98-E102 WeakPolarHBondContact O-CG 3.41Å; Q98-E102 PolarHBondContact O-N 2.83Å
99H98.9Very high98.8Very high8 Ų842.2 Ų42.24%0.03722%0.222CC..Hα-helixtrans-59-44176.9173.5-97.2000112.5R64 E68 E95 A101 E102 I103R64-H99 VanDerWaalsContact CA-CE1 3.45Å; R64-H99 WeakPolarHBondContact CA-CE1 3.46Å; R64-H99 HydrophobicContact CG-CB 4.3Å; R64-H99 PolarHBondContact O-CE1 3.37Å; R64-H99 VanDerWaalsContact O-CE1 3.22Å; E68-H99 IonicContact OE1-CD2 3.73Å; E68-H99 IonicContact OE1-CE1 2.81Å; E68-H99 IonicContact OE1-NE2 2.73Å; E68-H99 PolarHBondContact OE1-NE2 3.1Å; E95-H99 VanDerWaalsContact O-CB 3.31Å; E95-H99 WeakPolarHBondContact O-CB 3.46Å; E95-H99 PolarHBondContact O-N 2.99Å; H99-A101 PolarHBondContact O-N 2.77Å; H99-E102 WeakPolarHBondContact O-CB 3.41Å; H99-E102 PolarHBondContact O-N 3.44Å; H99-E102 VanDerWaalsContact O-N 3.07Å; H99-I103 WeakPolarHBondContact O-CG1 3.25Å; H99-I103 PolarHBondContact O-N 3.22Å
100A98.9Very high98.8Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-58.7-35.9176.100000112.3I83 V85 L96 A97 Q98 I103 G104 A105 I108 L138I83-A100 HydrophobicContact CB-CB 4.28Å; I83-A100 HydrophobicContact CG1-CB 4.3Å; V85-A100 HydrophobicContact CG1-CB 4.17Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.85Å; A97-A100 PolarHBondContact O-N 2.85Å; Q98-A100 PolarHBondContact O-N 2.8Å; A100-I103 WeakPolarHBondContact O-CG1 3.46Å; A100-G104 PolarHBondContact O-N 3.36Å; A100-A105 HydrophobicContact CB-CB 4.25Å; A100-A105 VanDerWaalsContact O-CB 3.3Å; A100-A105 WeakPolarHBondContact O-CB 3.16Å; A100-A105 PolarHBondContact O-N 3.47Å; A100-I108 HydrophobicContact CB-CG2 3.52Å; A100-L138 HydrophobicContact CB-CD2 4.42Å
101A98.7Very high98.8Very high38 Ų3837.6 Ų37.631%0.31419%0.193SC..Hα-helixtrans-69.1-42.4173.700000112.4A97 Q98 H99 I103 G104 A135 L138A97-A101 PolarHBondContact O-N 3.4Å; A97-A101 VanDerWaalsContact O-N 3.17Å; Q98-A101 WeakPolarHBondContact O-CB 3.32Å; Q98-A101 PolarHBondContact O-N 3.45Å; Q98-A101 VanDerWaalsContact O-N 3.11Å; H99-A101 PolarHBondContact O-N 2.77Å; A101-I103 PolarHBondContact O-N 3.24Å; A101-G104 PolarHBondContact O-N 3.28Å; A101-A135 HydrophobicContact CB-CB 4.11Å; A101-L138 HydrophobicContact CB-CD1 3.66Å; A101-L138 HydrophobicContact CB-CD2 4.13Å
102E98.8Very high98.8Very high126 Ų12629.7 Ų29.759%0.58916%0.159SC*.Hα-helixtrans-61.9-40.2179.3-70.5167.5179.500112.5Q98 H99 G104Q98-E102 WeakPolarHBondContact CG-OE1 3.42Å; Q98-E102 PolarHBondContact NE2-OE1 3.08Å; Q98-E102 WeakPolarHBondContact O-CG 3.41Å; Q98-E102 PolarHBondContact O-N 2.83Å; H99-E102 WeakPolarHBondContact O-CB 3.41Å; H99-E102 PolarHBondContact O-N 3.44Å; H99-E102 VanDerWaalsContact O-N 3.07Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 3.3Å
103I98.7Very high98.7Very high43 Ų4326.4 Ų26.422%0.22115%0.145CC..THydrogen-bonded Turntrans-81-7.8179.369.7174.5000113.1A67 E68 V71 H99 A100 A101A67-I103 HydrophobicContact CB-CD1 3.9Å; E68-I103 HydrophobicContact CG-CD1 4.5Å; E68-I103 HydrophobicContact CG-CG2 3.68Å; V71-I103 HydrophobicContact CB-CD1 4.24Å; V71-I103 WeakPolarHBondContact CG1-O 3.35Å; V71-I103 HydrophobicContact CG2-CD1 3.72Å; V71-I103 HydrophobicContact CG2-CG1 4.17Å; H99-I103 WeakPolarHBondContact O-CG1 3.25Å; H99-I103 PolarHBondContact O-N 3.22Å; A100-I103 WeakPolarHBondContact O-CG1 3.46Å; A101-I103 PolarHBondContact O-N 3.24Å
104G98.2Very high98.7Very high41 Ų4128.7 Ų28.742%0.42316%0.155SC..THydrogen-bonded Turntrans81.430.7176.700000115.1A100 A101 E102A100-G104 PolarHBondContact O-N 3.36Å; A101-G104 PolarHBondContact O-N 3.28Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 3.3Å
105A98.5Very high98.7Very high4 Ų433.8 Ų33.83%0.03318%0.177CC..  trans-57.3155171.600000111.9V71 I83 A100 G107 L138V71-A105 HydrophobicContact CG2-CB 4.11Å; I83-A105 HydrophobicContact CG1-CB 3.75Å; A100-A105 HydrophobicContact CB-CB 4.25Å; A100-A105 VanDerWaalsContact O-CB 3.3Å; A100-A105 WeakPolarHBondContact O-CB 3.16Å; A100-A105 PolarHBondContact O-N 3.47Å; A105-G107 VanDerWaalsContact C-N 3.33Å; A105-L138 HydrophobicContact CB-CD2 4.34Å
106D98.6Very high98.6Very high30 Ų3036.9 Ų36.916%0.1620%0.195CC..SBendtrans-83.2-13.4-177.6-63.6-67.7000113.4K5 Q80 V81 I82 P139K5-D106 IonicContact NZ-OD1 3.98Å; K5-D106 PolarHBondContact NZ-OD1 2.78Å; Q80-D106 WeakPolarHBondContact CA-OD2 3.33Å; Q80-D106 HydrophobicContact CB-CB 3.93Å; Q80-D106 HydrophobicContact CG-CB 4.06Å; V81-D106 PolarHBondContact N-OD2 3.33Å; V81-D106 PolarHBondContact O-N 3.35Å; I82-D106 HydrophobicContact CD1-CB 4.32Å; D106-P139 VanDerWaalsContact O-CD 3.28Å; D106-P139 WeakPolarHBondContact O-CD 3.18Å; D106-P139 VanDerWaalsContact O-CG 3.32Å; D106-P139 WeakPolarHBondContact O-CG 3.24Å
107G98.6Very high98.6Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans179170.5172.100000112.3I82 I83 A105 P139I82-G107 WeakPolarHBondContact CA-O 3.46Å; I83-G107 PolarHBondContact N-O 2.79Å; A105-G107 VanDerWaalsContact C-N 3.33Å; G107-P139 CarbonylContact C-O 3.56Å; G107-P139 VanDerWaalsContact CA-O 3.24Å; G107-P139 WeakPolarHBondContact CA-O 3.33Å
108I98.9Very high98.5Very high0 Ų041.8 Ų41.80%022%0.218CC..EExtended strand (participates in β ladder)trans-121148.6175.956.9168.4000110.8I83 V85 A97 A100 A135 L138 P139 F140 Y141I83-I108 CarbonylContact O-C 3.51Å; I83-I108 VanDerWaalsContact O-CA 3.29Å; I83-I108 WeakPolarHBondContact O-CA 3.07Å; V85-I108 HydrophobicContact CG1-CB 4.26Å; V85-I108 HydrophobicContact CG1-CG2 3.84Å; V85-I108 HydrophobicContact CG2-CB 3.9Å; V85-I108 HydrophobicContact CG2-CD1 4.18Å; V85-I108 HydrophobicContact CG2-CG2 4.26Å; A97-I108 HydrophobicContact CB-CD1 3.87Å; A100-I108 HydrophobicContact CB-CG2 3.52Å; I108-A135 HydrophobicContact CD1-CB 3.84Å; I108-L138 HydrophobicContact CG2-CD2 4.01Å; I108-P139 PolarHBondContact N-O 2.98Å; I108-F140 HydrophobicContact CD1-CD2 3.86Å; I108-F140 HydrophobicContact CD1-CE2 4.4Å; I108-F140 HydrophobicContact CG1-CD2 4Å; I108-F140 CarbonylContact O-C 3.56Å; I108-F140 WeakPolarHBondContact O-CA 3.36Å; I108-Y141 WeakPolarHBondContact O-CD2 3.49Å; I108-Y141 PolarHBondContact O-N 3.13Å
109A98.9Very high98.4Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-126.3146.7172.800000111.9F47 I82 I83 H84 V85 Y141F47-A109 HydrophobicContact CD2-CB 4.41Å; F47-A109 HydrophobicContact CE2-CB 3.39Å; F47-A109 HydrophobicContact CZ-CB 3.96Å; I82-A109 HydrophobicContact CG2-CB 4.16Å; I83-A109 PolarHBondContact O-N 2.98Å; H84-A109 CarbonylContact C-O 3.46Å; H84-A109 WeakPolarHBondContact CA-O 3.39Å; H84-A109 PolarHBondContact CD2-O 3.34Å; V85-A109 PolarHBondContact N-O 3.02Å; A109-Y141 CarbonylContact C-O 3.57Å; A109-Y141 WeakPolarHBondContact CA-O 3.22Å
110V98.9Very high98.4Very high0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-135123.6-175.8-176.10000110.9V85 F127 L128 V131 F140 Y141 Y142 Y143V85-V110 HydrophobicContact CG2-CG2 3.72Å; V110-F127 HydrophobicContact CG1-CE1 4.07Å; V110-L128 HydrophobicContact CB-CD2 3.89Å; V110-L128 HydrophobicContact CG1-CD2 3.55Å; V110-V131 HydrophobicContact CG2-CB 4.37Å; V110-V131 HydrophobicContact CG2-CG1 3.68Å; V110-F140 HydrophobicContact CB-CE2 4.05Å; V110-F140 HydrophobicContact CB-CZ 3.74Å; V110-F140 HydrophobicContact CG2-CD2 4.4Å; V110-F140 HydrophobicContact CG2-CE2 3.42Å; V110-F140 VanDerWaalsContact CG2-CE2 3.42Å; V110-F140 HydrophobicContact CG2-CZ 3.66Å; V110-Y141 PolarHBondContact N-O 3.22Å; V110-Y142 WeakPolarHBondContact O-CD2 3.2Å; V110-Y143 PolarHBondContact O-N 3.39Å
111I98.8Very high98.4Very high4 Ų453.3 Ų53.32%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-76.6150.4167.8-164170000110.7H84 F114 Y143 I145 L148 T149H84-I111 WeakPolarHBondContact NE2-CB 3.19Å; H84-I111 WeakPolarHBondContact NE2-CG2 3.48Å; H84-I111 PolarHBondContact NE2-N 3.29Å; I111-F114 HydrophobicContact CD1-CE1 4.4Å; I111-Y143 HydrophobicContact CB-CD1 4.04Å; I111-Y143 HydrophobicContact CB-CG 4.49Å; I111-Y143 HydrophobicContact CD1-CD1 4.29Å; I111-Y143 HydrophobicContact CD1-CE1 4.32Å; I111-Y143 HydrophobicContact CG1-CD1 4.31Å; I111-I145 HydrophobicContact CD1-CG2 3.45Å; I111-I145 VanDerWaalsContact CD1-CG2 3.45Å; I111-I145 HydrophobicContact CG1-CG2 3.96Å; I111-L148 HydrophobicContact CD1-CD2 4.44Å; I111-T149 HydrophobicContact CD1-CG2 3.51Å; I111-T149 HydrophobicContact CG1-CG2 3.52Å
112A98.8Very high98.3Very high0 Ų056 Ų560%027%0.274CS..PPolyproline II helixtrans-63133.6169.800000110.6F114 L124 Y142 V151A112-F114 WeakPolarHBondContact O-CD1 3.21Å; A112-F114 PolarHBondContact O-N 2.86Å; A112-L124 HydrophobicContact CB-CD1 3.65Å; A112-L124 HydrophobicContact CB-CD2 3.98Å; A112-Y142 HydrophobicContact CB-CE2 4.29Å; A112-V151 HydrophobicContact CB-CB 4.34Å; A112-V151 HydrophobicContact CB-CG1 4.27Å; A112-V151 HydrophobicContact CB-CG2 4.01Å
113P98.1Very high98.3Very high15 Ų1554 Ų5410%0.09727%0.267CS..PPolyproline II helixtrans-65.8135.1174.629.1-35.1000109.7P118 F127P113-P118 VanDerWaalsContact O-CD 3.32Å; P113-P118 WeakPolarHBondContact O-CD 3.34Å; P113-F127 HydrophobicContact CB-CE2 4.24Å; P113-F127 HydrophobicContact CB-CZ 4.18Å; P113-F127 HydrophobicContact CG-CD1 4.05Å; P113-F127 HydrophobicContact CG-CD2 3.9Å; P113-F127 HydrophobicContact CG-CE1 4.08Å; P113-F127 HydrophobicContact CG-CE2 3.91Å; P113-F127 HydrophobicContact CG-CG 3.97Å; P113-F127 HydrophobicContact CG-CZ 4.01Å
114F98.4Very high98.3Very high48 Ų4852 Ų5221%0.21126%0.257CS..  trans-123.7-5.7-164.852.4-98000115.4L56 L88 I111 A112 K117 L148 T149L56-F114 HydrophobicContact CD2-CE1 3.6Å; L56-F114 HydrophobicContact CD2-CZ 3.52Å; L88-F114 HydrophobicContact CD2-CD1 4.02Å; L88-F114 HydrophobicContact CD2-CD2 4.02Å; L88-F114 HydrophobicContact CD2-CE1 3.91Å; L88-F114 HydrophobicContact CD2-CE2 3.91Å; L88-F114 HydrophobicContact CD2-CG 4.08Å; L88-F114 HydrophobicContact CD2-CZ 3.86Å; I111-F114 HydrophobicContact CD1-CE1 4.4Å; A112-F114 WeakPolarHBondContact O-CD1 3.21Å; A112-F114 PolarHBondContact O-N 2.86Å; F114-K117 WeakPolarHBondContact O-CG 3.4Å; F114-K117 PolarHBondContact O-NZ 3.14Å; F114-L148 HydrophobicContact CE1-CD2 4.22Å; F114-L148 HydrophobicContact CZ-CD2 4.26Å; F114-T149 HydrophobicContact CB-CG2 4.35Å; F114-T149 VanDerWaalsContact CB-O 3.26Å; F114-T149 WeakPolarHBondContact CB-O 3.36Å; F114-T149 HydrophobicContact CD1-CG2 3.98Å; F114-T149 HydrophobicContact CG-CG2 4.48Å
115F98.1Very high98.4Very high161 Ų16150.4 Ų50.471%0.70624%0.238SC*.SBendtrans-67.3-61.5173.2-178.4-107.6000110.5L88L88-F115 HydrophobicContact CD1-CB 4.1Å; L88-F115 HydrophobicContact CD2-CB 4.1Å
116L97.7Very high98.4Very high145 Ų14553.8 Ų53.876%0.75926%0.256SS*.SBendtrans-105.496.5165.6-64.9175.7000108.1
117K98.4Very high98.4Very high94 Ų9453.9 Ų53.941%0.40926%0.255SS..  trans-63.8138.8-172.4-66169.4175.154.60110.7F114 W119 T149 G150 V151F114-K117 WeakPolarHBondContact O-CG 3.4Å; F114-K117 PolarHBondContact O-NZ 3.14Å; K117-W119 VanDerWaalsContact O-CD1 3.28Å; K117-W119 PolarHBondContact O-N 3.37Å; K117-T149 WeakPolarHBondContact CE-O 3.36Å; K117-G150 WeakPolarHBondContact CE-O 3.4Å; K117-V151 HydrophobicContact CB-CG2 4.34Å; K117-V151 HydrophobicContact CG-CG2 4.07Å
118P97.6Very high98.4Very high16 Ų1653.9 Ų53.910%0.10426%0.255CS..  trans-61.6134.7169.127.7-34.7000109.7P113 I123 L124 V151 I153P113-P118 VanDerWaalsContact O-CD 3.32Å; P113-P118 WeakPolarHBondContact O-CD 3.34Å; P118-I123 HydrophobicContact CB-CB 4.2Å; P118-I123 HydrophobicContact CB-CG2 3.83Å; P118-L124 HydrophobicContact CB-CB 3.89Å; P118-L124 HydrophobicContact CG-CB 3.84Å; P118-L124 HydrophobicContact CG-CD1 4.21Å; P118-L124 HydrophobicContact CG-CD2 4.44Å; P118-L124 HydrophobicContact CG-CG 4.38Å; P118-V151 HydrophobicContact CG-CG1 4.12Å; P118-I153 HydrophobicContact CB-CD1 4.38Å; P118-I153 HydrophobicContact CG-CD1 4.05Å
119W96.5Very high98.4Very high233 Ų23357.1 Ų57.188%0.88327%0.269SS*.SBendtrans-80.9-23.8-177.3-67.59000113K117 I123K117-W119 VanDerWaalsContact O-CD1 3.28Å; K117-W119 PolarHBondContact O-N 3.37Å; W119-I123 HydrophobicContact CB-CD1 4.14Å
120T98.3Very high98.4Very high64 Ų6461.2 Ų61.239%0.39329%0.288SS..SBendtrans-138.8161-175.871.20000110.5D122 I123 L124 I153T120-D122 VanDerWaalsContact C-N 3.25Å; T120-D122 PolarHBondContact O-N 3.11Å; T120-I123 HydrophobicContact CG2-CD1 4.3Å; T120-I123 PolarHBondContact O-N 3.27Å; T120-I123 WeakPolarHBondContact OG1-CG1 3.3Å; T120-I123 PolarHBondContact OG1-N 3.48Å; T120-L124 PolarHBondContact O-N 3Å; T120-I153 WeakPolarHBondContact O-CD1 3.33Å
121K98.1Very high98.4Very high57 Ų5761.2 Ų61.225%0.24829%0.288CS..Hα-helixtrans-56.4-40.3173.274.4166.6-174.5161.30112.2I123 L124 I125 I153 E157 D160K121-I123 PolarHBondContact O-N 3.02Å; K121-L124 WeakPolarHBondContact O-CB 3.46Å; K121-L124 PolarHBondContact O-N 3.17Å; K121-I125 VanDerWaalsContact O-CG1 3.31Å; K121-I125 WeakPolarHBondContact O-CG1 3.48Å; K121-I125 PolarHBondContact O-N 3.07Å; K121-I153 HydrophobicContact CB-CG2 3.9Å; K121-E157 HydrophobicContact CD-CB 4.42Å; K121-E157 WeakPolarHBondContact CD-O 3.39Å; K121-E157 PolarHBondContact NZ-O 3.34Å; K121-D160 IonicContact NZ-OD2 3.39Å
122D98.5Very high98.4Very high94 Ų9461.2 Ų61.250%0.50329%0.289SS..Hα-helixtrans-68.2-35.3-176.9-64-31.9000112.5T120 I125 N126T120-D122 VanDerWaalsContact C-N 3.25Å; T120-D122 PolarHBondContact O-N 3.11Å; D122-I125 PolarHBondContact O-N 2.99Å; D122-N126 WeakPolarHBondContact O-CB 3.44Å; D122-N126 PolarHBondContact O-N 2.95Å; D122-N126 PolarHBondContact O-ND2 2.86Å; D122-N126 VanDerWaalsContact O-ND2 3.12Å
123I98.6Very high98.4Very high85 Ų8564.3 Ų64.344%0.43632%0.315SS..Hα-helixtrans-65.4-43.3174.3-66.9166.7000109.9P118 W119 T120 K121 N126 F127P118-I123 HydrophobicContact CB-CB 4.2Å; P118-I123 HydrophobicContact CB-CG2 3.83Å; W119-I123 HydrophobicContact CB-CD1 4.14Å; T120-I123 HydrophobicContact CG2-CD1 4.3Å; T120-I123 PolarHBondContact O-N 3.27Å; T120-I123 WeakPolarHBondContact OG1-CG1 3.3Å; T120-I123 PolarHBondContact OG1-N 3.48Å; K121-I123 PolarHBondContact O-N 3.02Å; I123-N126 PolarHBondContact O-N 3.03Å; I123-F127 PolarHBondContact O-N 2.89Å
124L98.8Very high98.4Very high1 Ų165 Ų651%0.00532%0.321CS..Hα-helixtrans-63.1-47.2175.1176.153.1000111.2A112 P118 T120 K121 N126 F127 L128 Y142 V151 I153 L158A112-L124 HydrophobicContact CB-CD1 3.65Å; A112-L124 HydrophobicContact CB-CD2 3.98Å; P118-L124 HydrophobicContact CB-CB 3.89Å; P118-L124 HydrophobicContact CG-CB 3.84Å; P118-L124 HydrophobicContact CG-CD1 4.21Å; P118-L124 HydrophobicContact CG-CD2 4.44Å; P118-L124 HydrophobicContact CG-CG 4.38Å; T120-L124 PolarHBondContact O-N 3Å; K121-L124 WeakPolarHBondContact O-CB 3.46Å; K121-L124 PolarHBondContact O-N 3.17Å; L124-N126 VanDerWaalsContact C-N 3.25Å; L124-N126 PolarHBondContact O-N 2.82Å; L124-F127 WeakPolarHBondContact O-CB 3.31Å; L124-F127 PolarHBondContact O-N 2.92Å; L124-F127 VanDerWaalsContact O-N 3.08Å; L124-L128 HydrophobicContact CD1-CD1 4.08Å; L124-L128 HydrophobicContact CD1-CD2 4.21Å; L124-L128 HydrophobicContact CD1-CG 3.92Å; L124-L128 HydrophobicContact CG-CD1 4.01Å; L124-L128 HydrophobicContact CG-CG 4.31Å; L124-L128 WeakPolarHBondContact O-CG 3.36Å; L124-L128 PolarHBondContact O-N 2.73Å; L124-Y142 HydrophobicContact CD2-CE2 4.37Å; L124-V151 HydrophobicContact CD2-CG1 4.48Å; L124-I153 HydrophobicContact CB-CD1 3.98Å; L124-I153 HydrophobicContact CD2-CD1 3.87Å; L124-I153 HydrophobicContact CD2-CG2 4.48Å; L124-L158 HydrophobicContact CD2-CD1 3.44Å; L124-L158 VanDerWaalsContact CD2-CD1 3.44Å; L124-L158 HydrophobicContact CG-CD1 3.85Å
125I98.8Very high98.4Very high8 Ų862.7 Ų62.74%0.04131%0.311CS..Hα-helixtrans-58-40177.5-71.1170.7000110.9K121 D122 F127 L128 K129 L158 I162 K165K121-I125 VanDerWaalsContact O-CG1 3.31Å; K121-I125 WeakPolarHBondContact O-CG1 3.48Å; K121-I125 PolarHBondContact O-N 3.07Å; D122-I125 PolarHBondContact O-N 2.99Å; I125-F127 PolarHBondContact O-N 3.22Å; I125-L128 PolarHBondContact O-N 3.26Å; I125-K129 WeakPolarHBondContact O-CB 3.14Å; I125-K129 PolarHBondContact O-N 2.96Å; I125-L158 HydrophobicContact CG1-CG 4.21Å; I125-I162 HydrophobicContact CD1-CD1 4.01Å; I125-I162 HydrophobicContact CG1-CD1 3.82Å; I125-I162 HydrophobicContact CG2-CD1 4.12Å; I125-K165 HydrophobicContact CG2-CB 3.57Å; I125-K165 HydrophobicContact CG2-CG 3.85Å
126N98.8Very high98.4Very high75 Ų7559.5 Ų59.540%0.40131%0.306SS..Hα-helixtrans-62.1-43.3176-78.1-38.9000112.1D122 I123 L124 K129 E130D122-N126 WeakPolarHBondContact O-CB 3.44Å; D122-N126 PolarHBondContact O-N 2.95Å; D122-N126 PolarHBondContact O-ND2 2.86Å; D122-N126 VanDerWaalsContact O-ND2 3.12Å; I123-N126 PolarHBondContact O-N 3.03Å; L124-N126 VanDerWaalsContact C-N 3.25Å; L124-N126 PolarHBondContact O-N 2.82Å; N126-K129 PolarHBondContact O-N 2.84Å; N126-K129 PolarHBondContact OD1-NZ 2.87Å; N126-K129 VanDerWaalsContact OD1-NZ 3.12Å; N126-E130 VanDerWaalsContact O-CG 3.24Å; N126-E130 WeakPolarHBondContact O-CG 3.47Å; N126-E130 PolarHBondContact O-N 3.22Å; N126-E130 VanDerWaalsContact O-N 3.13Å
127F98.9Very high98.3Very high31 Ų3155.8 Ų55.814%0.13630%0.297CS..Hα-helixtrans-60.4-49.9173.3179.8-83.5000111.6L90 V110 P113 I123 L124 I125 K129 E130 V131L90-F127 HydrophobicContact CB-CD2 4.24Å; L90-F127 HydrophobicContact CB-CE2 3.74Å; L90-F127 HydrophobicContact CD1-CD2 3.9Å; L90-F127 HydrophobicContact CD1-CE2 3.8Å; L90-F127 HydrophobicContact CD1-CG 4.4Å; L90-F127 HydrophobicContact CD1-CZ 4.2Å; L90-F127 HydrophobicContact CG-CE2 4.33Å; V110-F127 HydrophobicContact CG1-CE1 4.07Å; P113-F127 HydrophobicContact CB-CE2 4.24Å; P113-F127 HydrophobicContact CB-CZ 4.18Å; P113-F127 HydrophobicContact CG-CD1 4.05Å; P113-F127 HydrophobicContact CG-CD2 3.9Å; P113-F127 HydrophobicContact CG-CE1 4.08Å; P113-F127 HydrophobicContact CG-CE2 3.91Å; P113-F127 HydrophobicContact CG-CG 3.97Å; P113-F127 HydrophobicContact CG-CZ 4.01Å; I123-F127 PolarHBondContact O-N 2.89Å; L124-F127 WeakPolarHBondContact O-CB 3.31Å; L124-F127 PolarHBondContact O-N 2.92Å; L124-F127 VanDerWaalsContact O-N 3.08Å; I125-F127 PolarHBondContact O-N 3.22Å; F127-K129 VanDerWaalsContact C-N 3.3Å; F127-K129 PolarHBondContact O-N 2.91Å; F127-E130 PolarHBondContact O-N 2.87Å; F127-V131 HydrophobicContact CD1-CG2 4.34Å; F127-V131 HydrophobicContact CE1-CG2 3.97Å; F127-V131 HydrophobicContact CZ-CG2 4.39Å; F127-V131 PolarHBondContact O-N 2.86Å
128L98.9Very high98.3Very high0 Ų052.2 Ų52.20%028%0.282CS..Hα-helixtrans-61-39.6-178.9-63.7176.5000111.8V110 L124 I125 V131 A132 F140 Y142 L158 I166V110-L128 HydrophobicContact CB-CD2 3.89Å; V110-L128 HydrophobicContact CG1-CD2 3.55Å; L124-L128 HydrophobicContact CD1-CD1 4.08Å; L124-L128 HydrophobicContact CD1-CD2 4.21Å; L124-L128 HydrophobicContact CD1-CG 3.92Å; L124-L128 HydrophobicContact CG-CD1 4.01Å; L124-L128 HydrophobicContact CG-CG 4.31Å; L124-L128 WeakPolarHBondContact O-CG 3.36Å; L124-L128 PolarHBondContact O-N 2.73Å; I125-L128 PolarHBondContact O-N 3.26Å; L128-V131 PolarHBondContact O-N 3.23Å; L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 3.24Å; L128-F140 HydrophobicContact CB-CE1 4.3Å; L128-F140 HydrophobicContact CB-CZ 3.89Å; L128-F140 HydrophobicContact CD2-CZ 3.97Å; L128-F140 HydrophobicContact CG-CZ 4.42Å; L128-Y142 HydrophobicContact CD1-CD2 3.85Å; L128-Y142 HydrophobicContact CD1-CE2 4.25Å; L128-Y142 HydrophobicContact CD1-CG 4.49Å; L128-Y142 HydrophobicContact CD2-CD2 4.22Å; L128-L158 HydrophobicContact CD1-CD1 3.97Å; L128-L158 HydrophobicContact CD1-CD2 4.33Å; L128-I166 HydrophobicContact CB-CD1 3.59Å
129K98.8Very high98.3Very high68 Ų6852.4 Ų52.430%0.29628%0.283SS..Hα-helixtrans-61.4-46.1176.6177.2-169.975.9-171.80112.2I125 N126 F127 V131 A132 A133 K165 I166I125-K129 WeakPolarHBondContact O-CB 3.14Å; I125-K129 PolarHBondContact O-N 2.96Å; N126-K129 PolarHBondContact O-N 2.84Å; N126-K129 PolarHBondContact OD1-NZ 2.87Å; N126-K129 VanDerWaalsContact OD1-NZ 3.12Å; F127-K129 VanDerWaalsContact C-N 3.3Å; F127-K129 PolarHBondContact O-N 2.91Å; K129-V131 PolarHBondContact O-N 3Å; K129-A132 PolarHBondContact O-N 3.15Å; K129-A133 VanDerWaalsContact O-CB 3.3Å; K129-A133 WeakPolarHBondContact O-CB 3.34Å; K129-A133 PolarHBondContact O-N 3.26Å; K129-K165 WeakPolarHBondContact CG-O 3.26Å; K129-I166 HydrophobicContact CB-CD1 4.47Å; K129-I166 HydrophobicContact CB-CG1 4.08Å
130E98.9Very high98.5Very high86 Ų8641.3 Ų41.340%0.40224%0.241SC..Hα-helixtrans-62.3-33.2178.9-67.7-73.2168.500111.9L90 Q94 N126 F127L90-E130 HydrophobicContact CD1-CB 3.85Å; L90-E130 HydrophobicContact CD2-CB 4.11Å; L90-E130 HydrophobicContact CD2-CG 4.36Å; Q94-E130 PolarHBondContact NE2-O 2.81Å; N126-E130 VanDerWaalsContact O-CG 3.24Å; N126-E130 WeakPolarHBondContact O-CG 3.47Å; N126-E130 PolarHBondContact O-N 3.22Å; N126-E130 VanDerWaalsContact O-N 3.13Å; F127-E130 PolarHBondContact O-N 2.87Å
131V98.9Very high98.5Very high0 Ų038.8 Ų38.80%023%0.225CC..Hα-helixtrans-75.1-46.6174-179.10000111.4V85 L90 S93 A97 V110 F127 L128 K129 A133 A134V85-V131 HydrophobicContact CG2-CG1 4.07Å; L90-V131 HydrophobicContact CD1-CG2 3.62Å; S93-V131 WeakPolarHBondContact OG-CG1 3.32Å; S93-V131 WeakPolarHBondContact OG-CG2 3.45Å; A97-V131 HydrophobicContact CB-CG1 3.86Å; V110-V131 HydrophobicContact CG2-CB 4.37Å; V110-V131 HydrophobicContact CG2-CG1 3.68Å; F127-V131 HydrophobicContact CD1-CG2 4.34Å; F127-V131 HydrophobicContact CE1-CG2 3.97Å; F127-V131 HydrophobicContact CZ-CG2 4.39Å; F127-V131 PolarHBondContact O-N 2.86Å; L128-V131 PolarHBondContact O-N 3.23Å; K129-V131 PolarHBondContact O-N 3Å; V131-A133 PolarHBondContact O-N 3.2Å; V131-A134 WeakPolarHBondContact O-CB 3.26Å; V131-A134 PolarHBondContact O-N 2.88Å; V131-A134 VanDerWaalsContact O-N 3.1Å
132A98.8Very high98.5Very high5 Ų536.2 Ų36.24%0.04121%0.213CC..Hα-helixtrans-59.3-36.6178.300000112.3L128 K129 A134 A135 F140 I166L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 3.24Å; K129-A132 PolarHBondContact O-N 3.15Å; A132-A134 PolarHBondContact O-N 3.3Å; A132-A135 CarbonylContact O-C 3.23Å; A132-A135 VanDerWaalsContact O-C 3.23Å; A132-A135 PolarHBondContact O-N 3.1Å; A132-A135 VanDerWaalsContact O-N 3.07Å; A132-F140 HydrophobicContact CB-CD2 3.5Å; A132-F140 VanDerWaalsContact CB-CD2 3.5Å; A132-F140 HydrophobicContact CB-CE2 3.77Å; A132-F140 HydrophobicContact CB-CG 4.07Å; A132-I166 HydrophobicContact CB-CG2 3.59Å
133A98.7Very high98.5Very high65 Ų6532 Ų3254%0.53719%0.191SC..THydrogen-bonded Turntrans-65.7-22.8178.200000113.7K129 V131 A135 P136K129-A133 VanDerWaalsContact O-CB 3.3Å; K129-A133 WeakPolarHBondContact O-CB 3.34Å; K129-A133 PolarHBondContact O-N 3.26Å; V131-A133 PolarHBondContact O-N 3.2Å; A133-A135 PolarHBondContact O-N 3.44Å; A133-P136 WeakPolarHBondContact O-CD 3.45Å
134A98.8Very high98.5Very high28 Ų2828.2 Ų28.223%0.23117%0.171CC..THydrogen-bonded Turntrans-73.7-16.3173.600000112.8Q94 A97 V131 A132Q94-A134 HydrophobicContact CB-CB 4.18Å; Q94-A134 HydrophobicContact CG-CB 4.35Å; A97-A134 HydrophobicContact CB-CB 4.05Å; V131-A134 WeakPolarHBondContact O-CB 3.26Å; V131-A134 PolarHBondContact O-N 2.88Å; V131-A134 VanDerWaalsContact O-N 3.1Å; A132-A134 PolarHBondContact O-N 3.3Å
135A98.3Very high98.5Very high1 Ų129.2 Ų29.21%0.00818%0.176CC..SBendtrans-13362.9176.300000111.2A97 A101 I108 A132 A133 A137 L138A97-A135 HydrophobicContact CB-CB 4.28Å; A97-A135 WeakPolarHBondContact O-CB 3.4Å; A101-A135 HydrophobicContact CB-CB 4.11Å; I108-A135 HydrophobicContact CD1-CB 3.84Å; A132-A135 CarbonylContact O-C 3.23Å; A132-A135 VanDerWaalsContact O-C 3.23Å; A132-A135 PolarHBondContact O-N 3.1Å; A132-A135 VanDerWaalsContact O-N 3.07Å; A133-A135 PolarHBondContact O-N 3.44Å; A135-A137 PolarHBondContact O-N 2.98Å; A135-L138 HydrophobicContact CB-CB 4.16Å; A135-L138 PolarHBondContact O-N 3.38Å
136P97.8Very high98.5Very high93 Ų9330.2 Ų30.260%0.60418%0.183SC*.THydrogen-bonded Turntrans-70.1-7.2-162.930-37.3000114.9A133 T168A133-P136 WeakPolarHBondContact O-CD 3.45Å; P136-T168 WeakPolarHBondContact O-CG2 3.33Å
137A96.4Very high98.5Very high68 Ų6831.3 Ų31.356%0.56220%0.202SC*.THydrogen-bonded Turntrans-108.1-8.8176.600000113.3F3 A135F3-A137 WeakPolarHBondContact CE1-O 3.35Å; A135-A137 PolarHBondContact O-N 2.98Å
138L97.4Very high98.4Very high19 Ų1933.6 Ų33.610%0.09922%0.216CC..SBendtrans-90.9137.7-178.2-93.266.1000110.7A100 A101 A105 I108 A135 F140 T168A100-L138 HydrophobicContact CB-CD2 4.42Å; A101-L138 HydrophobicContact CB-CD1 3.66Å; A101-L138 HydrophobicContact CB-CD2 4.13Å; A105-L138 HydrophobicContact CB-CD2 4.34Å; I108-L138 HydrophobicContact CG2-CD2 4.01Å; A135-L138 HydrophobicContact CB-CB 4.16Å; A135-L138 PolarHBondContact O-N 3.38Å; L138-F140 PolarHBondContact O-N 3.39Å; L138-T168 WeakPolarHBondContact O-CB 3.3Å
139P98.4Very high98.4Very high19 Ų1933.9 Ų33.912%0.12322%0.217CC..  trans-48.7130.1164.6-31.339000112.2D106 G107 I108 Y141 Q170D106-P139 VanDerWaalsContact O-CD 3.28Å; D106-P139 WeakPolarHBondContact O-CD 3.18Å; D106-P139 VanDerWaalsContact O-CG 3.32Å; D106-P139 WeakPolarHBondContact O-CG 3.24Å; G107-P139 CarbonylContact C-O 3.56Å; G107-P139 VanDerWaalsContact CA-O 3.24Å; G107-P139 WeakPolarHBondContact CA-O 3.33Å; I108-P139 PolarHBondContact N-O 2.98Å; P139-Y141 HydrophobicContact CB-CE2 3.79Å; P139-Q170 HydrophobicContact CB-CB 4.02Å; P139-Q170 HydrophobicContact CB-CG 3.83Å; P139-Q170 HydrophobicContact CG-CG 4.43Å
140F98.8Very high98.4Very high0 Ų032.4 Ų32.40%022%0.221CC..EExtended strand (participates in β ladder)trans-109.6131.3178.9-176.1-82.4000110.9I108 V110 L128 A132 L138 I166 T168 F169 Q170I108-F140 HydrophobicContact CD1-CD2 3.86Å; I108-F140 HydrophobicContact CD1-CE2 4.4Å; I108-F140 HydrophobicContact CG1-CD2 4Å; I108-F140 CarbonylContact O-C 3.56Å; I108-F140 WeakPolarHBondContact O-CA 3.36Å; V110-F140 HydrophobicContact CB-CE2 4.05Å; V110-F140 HydrophobicContact CB-CZ 3.74Å; V110-F140 HydrophobicContact CG2-CD2 4.4Å; V110-F140 HydrophobicContact CG2-CE2 3.42Å; V110-F140 VanDerWaalsContact CG2-CE2 3.42Å; V110-F140 HydrophobicContact CG2-CZ 3.66Å; L128-F140 HydrophobicContact CB-CE1 4.3Å; L128-F140 HydrophobicContact CB-CZ 3.89Å; L128-F140 HydrophobicContact CD2-CZ 3.97Å; L128-F140 HydrophobicContact CG-CZ 4.42Å; A132-F140 HydrophobicContact CB-CD2 3.5Å; A132-F140 VanDerWaalsContact CB-CD2 3.5Å; A132-F140 HydrophobicContact CB-CE2 3.77Å; A132-F140 HydrophobicContact CB-CG 4.07Å; L138-F140 PolarHBondContact O-N 3.39Å; F140-I166 HydrophobicContact CB-CG2 4.46Å; F140-I166 HydrophobicContact CD1-CG2 4.21Å; F140-I166 HydrophobicContact CE1-CD1 4.38Å; F140-I166 HydrophobicContact CG-CG2 4.27Å; F140-T168 PolarHBondContact N-O 3.3Å; F140-F169 AromaticContact CD1-CD2 3.83Å; F140-F169 HydrophobicContact CD1-CD2 3.83Å; F140-F169 HydrophobicContact CD1-CE2 4.35Å; F140-F169 HydrophobicContact CE1-CD2 4.29Å; F140-Q170 PolarHBondContact O-N 3.3Å
141Y98.9Very high98.3Very high12 Ų1228.5 Ų28.55%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-121.1134.2177.2-56.6-87.6000111.2L8 I82 I108 A109 V110 P139 Q170 G171 A195L8-Y141 HydrophobicContact CB-CE1 4.34Å; L8-Y141 WeakPolarHBondContact CB-OH 3.38Å; L8-Y141 HydrophobicContact CD2-CE1 3.95Å; L8-Y141 HydrophobicContact CD2-CE2 4.13Å; I82-Y141 HydrophobicContact CD1-CE2 3.88Å; I82-Y141 HydrophobicContact CG2-CD2 4.15Å; I108-Y141 WeakPolarHBondContact O-CD2 3.49Å; I108-Y141 PolarHBondContact O-N 3.13Å; A109-Y141 CarbonylContact C-O 3.57Å; A109-Y141 WeakPolarHBondContact CA-O 3.22Å; V110-Y141 PolarHBondContact N-O 3.22Å; P139-Y141 HydrophobicContact CB-CE2 3.79Å; Y141-Q170 HydrophobicContact CE1-CB 3.99Å; Y141-G171 VanDerWaalsContact CA-O 3.32Å; Y141-G171 WeakPolarHBondContact CA-O 3.48Å; Y141-A195 HydrophobicContact CE1-CB 4.04Å
142Y98.9Very high98.3Very high2 Ų238.3 Ų38.31%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-82.3130.9170.3176.2-127.3000110.4V110 A112 L124 L128 H144 L158 G171 L172 K173V110-Y142 WeakPolarHBondContact O-CD2 3.2Å; A112-Y142 HydrophobicContact CB-CE2 4.29Å; L124-Y142 HydrophobicContact CD2-CE2 4.37Å; L128-Y142 HydrophobicContact CD1-CD2 3.85Å; L128-Y142 HydrophobicContact CD1-CE2 4.25Å; L128-Y142 HydrophobicContact CD1-CG 4.49Å; L128-Y142 HydrophobicContact CD2-CD2 4.22Å; Y142-H144 HydrophobicContact CD1-CB 4.05Å; Y142-H144 HydrophobicContact CE1-CB 3.57Å; Y142-H144 AromaticContact CE1-ND1 3.69Å; Y142-L158 HydrophobicContact CD1-CD1 4.23Å; Y142-L158 HydrophobicContact CD1-CD2 4.04Å; Y142-L158 HydrophobicContact CE1-CD1 3.93Å; Y142-L158 HydrophobicContact CE2-CD1 4.32Å; Y142-L158 HydrophobicContact CG-CD2 4.26Å; Y142-G171 PolarHBondContact N-O 2.87Å; Y142-L172 HydrophobicContact CD1-CD1 3.63Å; Y142-L172 HydrophobicContact CE1-CD1 4.39Å; Y142-L172 HydrophobicContact CG-CD1 4.4Å; Y142-K173 PolarHBondContact O-N 2.92Å
143Y98.9Very high98.2Very high7 Ų738.7 Ų38.73%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-99.6100.2173.1-178-164.2000109.9F47 T51 H84 V110 I111 I145 K173F47-Y143 HydrophobicContact CE1-CD1 4.4Å; F47-Y143 HydrophobicContact CE1-CE1 4.32Å; F47-Y143 AromaticContact CZ-CD1 3.99Å; F47-Y143 HydrophobicContact CZ-CD1 3.99Å; F47-Y143 HydrophobicContact CZ-CE1 4.35Å; F47-Y143 HydrophobicContact CZ-CG 4.32Å; T51-Y143 PolarHBondContact OG1-OH 3.06Å; H84-Y143 AromaticContact CD2-CD1 3.9Å; H84-Y143 AromaticContact NE2-CD1 3.86Å; V110-Y143 PolarHBondContact O-N 3.39Å; I111-Y143 HydrophobicContact CB-CD1 4.04Å; I111-Y143 HydrophobicContact CB-CG 4.49Å; I111-Y143 HydrophobicContact CD1-CD1 4.29Å; I111-Y143 HydrophobicContact CD1-CE1 4.32Å; I111-Y143 HydrophobicContact CG1-CD1 4.31Å; Y143-I145 HydrophobicContact CD2-CB 4.34Å; Y143-I145 HydrophobicContact CD2-CG2 4.22Å; Y143-I145 HydrophobicContact CE1-CG2 4.25Å; Y143-I145 HydrophobicContact CE2-CB 3.79Å; Y143-I145 HydrophobicContact CE2-CD1 4.26Å; Y143-I145 HydrophobicContact CE2-CG2 3.83Å; Y143-I145 WeakPolarHBondContact OH-CD1 3.49Å; Y143-K173 HydrophobicContact CD2-CB 4.16Å; Y143-K173 HydrophobicContact CD2-CD 3.49Å; Y143-K173 VanDerWaalsContact CD2-CD 3.49Å; Y143-K173 HydrophobicContact CD2-CG 3.79Å; Y143-K173 HydrophobicContact CE2-CD 3.56Å; Y143-K173 HydrophobicContact CE2-CG 4.07Å; Y143-K173 HydrophobicContact CG-CD 4.1Å; Y143-K173 VanDerWaalsContact CZ-NZ 3.28Å; Y143-K173 PolarHBondContact OH-NZ 3.35Å
144H98.8Very high98.2Very high4 Ų439 Ų392%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-91.1116.3177.3-174.976.5000110.4Y142 P146 I153 L172 K173 F174 S175Y142-H144 HydrophobicContact CD1-CB 4.05Å; Y142-H144 HydrophobicContact CE1-CB 3.57Å; Y142-H144 AromaticContact CE1-ND1 3.69Å; H144-P146 WeakPolarHBondContact NE2-CD 3.36Å; H144-I153 PolarHBondContact CE1-O 2.88Å; H144-L172 HydrophobicContact CB-CD1 3.87Å; H144-K173 PolarHBondContact N-O 3.4Å; H144-F174 HydrophobicContact CB-CD2 4.27Å; H144-F174 AromaticContact CD2-CD2 3.41Å; H144-F174 VanDerWaalsContact CD2-CD2 3.41Å; H144-F174 WeakPolarHBondContact CD2-CD2 3.48Å; H144-F174 AromaticContact CD2-CE2 3.33Å; H144-F174 WeakPolarHBondContact CD2-CE2 3.14Å; H144-F174 AromaticContact NE2-CE2 3.67Å; H144-S175 WeakPolarHBondContact O-CB 3.15Å; H144-S175 PolarHBondContact O-N 3.45Å
145I98.6Very high98.2Very high23 Ų2337.7 Ų37.712%0.11822%0.224CC..  trans-149.774.5177.4-172.5170.7000110.3I111 Y143 A147 L148 T149I111-I145 HydrophobicContact CD1-CG2 3.45Å; I111-I145 VanDerWaalsContact CD1-CG2 3.45Å; I111-I145 HydrophobicContact CG1-CG2 3.96Å; Y143-I145 HydrophobicContact CD2-CB 4.34Å; Y143-I145 HydrophobicContact CD2-CG2 4.22Å; Y143-I145 HydrophobicContact CE1-CG2 4.25Å; Y143-I145 HydrophobicContact CE2-CB 3.79Å; Y143-I145 HydrophobicContact CE2-CD1 4.26Å; Y143-I145 HydrophobicContact CE2-CG2 3.83Å; Y143-I145 WeakPolarHBondContact OH-CD1 3.49Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 2.83Å; I145-L148 HydrophobicContact CD1-CB 4.14Å; I145-L148 HydrophobicContact CD1-CD1 4.45Å; I145-L148 HydrophobicContact CG1-CB 4.05Å; I145-L148 HydrophobicContact CG2-CB 4.38Å; I145-L148 PolarHBondContact O-N 2.84Å; I145-T149 HydrophobicContact CG2-CG2 4.03Å; I145-T149 WeakPolarHBondContact O-CG2 3.33Å; I145-T149 PolarHBondContact O-N 2.88Å; I145-T149 PolarHBondContact O-OG1 3.05Å; I145-T149 VanDerWaalsContact O-OG1 3.06Å
146P98.3Very high98.2Very high28 Ų2839.7 Ų39.718%0.18223%0.233CC..Hα-helixtrans-64.4-30.5-172.424.8-33.2000112.7H144 L148 T149 G150 D176H144-P146 WeakPolarHBondContact NE2-CD 3.36Å; P146-L148 PolarHBondContact O-N 3.26Å; P146-T149 WeakPolarHBondContact CA-OG1 3.49Å; P146-T149 PolarHBondContact O-N 3.08Å; P146-G150 WeakPolarHBondContact O-CA 3.48Å; P146-G150 PolarHBondContact O-N 3.28Å; P146-D176 HydrophobicContact CG-CB 3.82Å; P146-D176 WeakPolarHBondContact CG-OD2 3.36Å
147A97.9Very high98.3Very high98 Ų9839 Ų3981%0.8122%0.221SC*.Hα-helixtrans-57.7-32.8176.500000113.3I145I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 2.83Å
148L97.6Very high98.4Very high80 Ų8035.7 Ų35.742%0.41920%0.195SC..Hα-helixtrans-93.5-44177.9-169.9156000111.7T51 I111 F114 I145 P146T51-L148 HydrophobicContact CG2-CD1 3.77Å; I111-L148 HydrophobicContact CD1-CD2 4.44Å; F114-L148 HydrophobicContact CE1-CD2 4.22Å; F114-L148 HydrophobicContact CZ-CD2 4.26Å; I145-L148 HydrophobicContact CD1-CB 4.14Å; I145-L148 HydrophobicContact CD1-CD1 4.45Å; I145-L148 HydrophobicContact CG1-CB 4.05Å; I145-L148 HydrophobicContact CG2-CB 4.38Å; I145-L148 PolarHBondContact O-N 2.84Å; P146-L148 PolarHBondContact O-N 3.26Å
149T98.2Very high98.4Very high5 Ų534.8 Ų34.83%0.03119%0.19CC..Hα-helixtrans-78.9-28.5-173.760.60000113.3I111 F114 K117 I145 P146 V151I111-T149 HydrophobicContact CD1-CG2 3.51Å; I111-T149 HydrophobicContact CG1-CG2 3.52Å; F114-T149 HydrophobicContact CB-CG2 4.35Å; F114-T149 VanDerWaalsContact CB-O 3.26Å; F114-T149 WeakPolarHBondContact CB-O 3.36Å; F114-T149 HydrophobicContact CD1-CG2 3.98Å; F114-T149 HydrophobicContact CG-CG2 4.48Å; K117-T149 WeakPolarHBondContact CE-O 3.36Å; I145-T149 HydrophobicContact CG2-CG2 4.03Å; I145-T149 WeakPolarHBondContact O-CG2 3.33Å; I145-T149 PolarHBondContact O-N 2.88Å; I145-T149 PolarHBondContact O-OG1 3.05Å; I145-T149 VanDerWaalsContact O-OG1 3.06Å; P146-T149 WeakPolarHBondContact CA-OG1 3.49Å; P146-T149 PolarHBondContact O-N 3.08Å; T149-V151 PolarHBondContact O-N 3.13Å; T149-V151 PolarHBondContact OG1-N 3.2Å
150G98.3Very high98.4Very high37 Ų3739.1 Ų39.138%0.38121%0.212SC..  trans61.614.3-168.600000114.1K117 P146K117-G150 WeakPolarHBondContact CE-O 3.4Å; P146-G150 WeakPolarHBondContact O-CA 3.48Å; P146-G150 PolarHBondContact O-N 3.28Å
151V98.3Very high98.2Very high4 Ų440.9 Ų40.92%0.02423%0.23CC..  trans-79.7120.5177.1174.40000108.6A112 K117 P118 L124 T149 I153A112-V151 HydrophobicContact CB-CB 4.34Å; A112-V151 HydrophobicContact CB-CG1 4.27Å; A112-V151 HydrophobicContact CB-CG2 4.01Å; K117-V151 HydrophobicContact CB-CG2 4.34Å; K117-V151 HydrophobicContact CG-CG2 4.07Å; P118-V151 HydrophobicContact CG-CG1 4.12Å; L124-V151 HydrophobicContact CD2-CG1 4.48Å; T149-V151 PolarHBondContact O-N 3.13Å; T149-V151 PolarHBondContact OG1-N 3.2Å; V151-I153 HydrophobicContact CG1-CB 4.16Å; V151-I153 HydrophobicContact CG1-CD1 3.84Å; V151-I153 HydrophobicContact CG1-CG1 4.04Å; V151-I153 PolarHBondContact O-N 3.39Å
152K97.3Very high98.2Very high207 Ų20740.4 Ų40.490%0.923%0.228SC*.  trans-96.752.4-174.9-57.6-170.2178.3-165.50112
153I98.5Very high98.1Very high12 Ų1243.5 Ų43.56%0.06224%0.244CC..  trans-118.3119.5175.3-63.7164.3000106P118 T120 K121 L124 H144 V151P118-I153 HydrophobicContact CB-CD1 4.38Å; P118-I153 HydrophobicContact CG-CD1 4.05Å; T120-I153 WeakPolarHBondContact O-CD1 3.33Å; K121-I153 HydrophobicContact CB-CG2 3.9Å; L124-I153 HydrophobicContact CB-CD1 3.98Å; L124-I153 HydrophobicContact CD2-CD1 3.87Å; L124-I153 HydrophobicContact CD2-CG2 4.48Å; H144-I153 PolarHBondContact CE1-O 2.88Å; V151-I153 HydrophobicContact CG1-CB 4.16Å; V151-I153 HydrophobicContact CG1-CD1 3.84Å; V151-I153 HydrophobicContact CG1-CG1 4.04Å; V151-I153 PolarHBondContact O-N 3.39Å
154R98.6Very high98.1Very high73 Ų7350 Ų5028%0.27528%0.28SS..  trans-68.3146.3-180-69.5179.364.9-122.8-4.9110.2E156 E157 L158 D181R154-E156 HydrophobicContact CB-CG 4.49Å; R154-E156 IonicContact CZ-OE1 3.5Å; R154-E156 IonicContact NH1-OE1 3.57Å; R154-E156 PolarHBondContact NH1-OE1 2.92Å; R154-E156 IonicContact NH2-OE1 2.64Å; R154-E157 HydrophobicContact CB-CG 4.12Å; R154-E157 IonicContact NH1-OE1 3.79Å; R154-E157 PolarHBondContact O-N 3.07Å; R154-L158 PolarHBondContact O-N 2.94Å; R154-D181 WeakPolarHBondContact CA-OD2 3.31Å; R154-D181 WeakPolarHBondContact CB-OD2 3.26Å; R154-D181 IonicContact NH2-OD1 2.85Å
155A98.7Very high98.1Very high0 Ų055.2 Ų55.20%030%0.303CS..Hα-helixtrans-67.4-40.7-176.100000111.3E157 L158 L159 L172 F174 D181A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.38Å; A155-L158 WeakPolarHBondContact O-CB 3.26Å; A155-L158 PolarHBondContact O-N 2.64Å; A155-L158 VanDerWaalsContact O-N 3.14Å; A155-L159 VanDerWaalsContact O-CD1 3.24Å; A155-L159 WeakPolarHBondContact O-CD1 3.38Å; A155-L159 PolarHBondContact O-N 3.02Å; A155-L172 HydrophobicContact CB-CD1 4.2Å; A155-L172 HydrophobicContact CB-CD2 4.02Å; A155-F174 HydrophobicContact CB-CD2 3.77Å; A155-F174 HydrophobicContact CB-CE2 3.69Å; A155-D181 PolarHBondContact N-OD1 3.32Å; A155-D181 PolarHBondContact N-OD2 2.97Å
156E98.5Very high98.1Very high43 Ų4354.2 Ų54.220%0.20130%0.297CS..Hα-helixtrans-60.4-41.6179.666.192.616000111.7R154 L158 L159 D160 D181 Q184 C185R154-E156 HydrophobicContact CB-CG 4.49Å; R154-E156 IonicContact CZ-OE1 3.5Å; R154-E156 IonicContact NH1-OE1 3.57Å; R154-E156 PolarHBondContact NH1-OE1 2.92Å; R154-E156 IonicContact NH2-OE1 2.64Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 2.94Å; E156-L159 PolarHBondContact O-N 3.28Å; E156-L159 VanDerWaalsContact O-N 3.15Å; E156-D160 PolarHBondContact O-N 3.47Å; E156-D160 VanDerWaalsContact O-N 3.09Å; E156-D181 WeakPolarHBondContact CB-OD1 3.41Å; E156-D181 WeakPolarHBondContact CG-OD1 3.49Å; E156-D181 PolarHBondContact N-OD1 2.67Å; E156-Q184 HydrophobicContact CB-CB 3.83Å; E156-Q184 HydrophobicContact CG-CB 4.04Å; E156-C185 VanDerWaalsContact CA-SG 3.53Å; E156-C185 PolarHBondContact N-SG 3.28Å
157E98.5Very high98Very high77 Ų7758 Ų5836%0.3632%0.322SS..Hα-helixtrans-65.3-32.7179.6-66.3175.8-150.100111.9K121 R154 A155K121-E157 HydrophobicContact CD-CB 4.42Å; K121-E157 WeakPolarHBondContact CD-O 3.39Å; K121-E157 PolarHBondContact NZ-O 3.34Å; R154-E157 HydrophobicContact CB-CG 4.12Å; R154-E157 IonicContact NH1-OE1 3.79Å; R154-E157 PolarHBondContact O-N 3.07Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.38Å
158L98.7Very high98Very high0 Ų053.8 Ų53.80%029%0.286CS..Hα-helixtrans-73.9-37.7176.4-174.8148.3000111.7L124 I125 L128 Y142 R154 A155 E156 D160 I162 F169L124-L158 HydrophobicContact CD2-CD1 3.44Å; L124-L158 VanDerWaalsContact CD2-CD1 3.44Å; L124-L158 HydrophobicContact CG-CD1 3.85Å; I125-L158 HydrophobicContact CG1-CG 4.21Å; L128-L158 HydrophobicContact CD1-CD1 3.97Å; L128-L158 HydrophobicContact CD1-CD2 4.33Å; Y142-L158 HydrophobicContact CD1-CD1 4.23Å; Y142-L158 HydrophobicContact CD1-CD2 4.04Å; Y142-L158 HydrophobicContact CE1-CD1 3.93Å; Y142-L158 HydrophobicContact CE2-CD1 4.32Å; Y142-L158 HydrophobicContact CG-CD2 4.26Å; R154-L158 PolarHBondContact O-N 2.94Å; A155-L158 WeakPolarHBondContact O-CB 3.26Å; A155-L158 PolarHBondContact O-N 2.64Å; A155-L158 VanDerWaalsContact O-N 3.14Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 2.94Å; L158-D160 VanDerWaalsContact C-N 3.33Å; L158-I162 HydrophobicContact CD2-CD1 4.13Å; L158-I162 HydrophobicContact CD2-CG1 4.44Å; L158-F169 HydrophobicContact CD2-CE2 4.49Å
159L98.4Very high98.1Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-72.1-27.1-179.7-93.666.5000112.6A155 E156 G161 I162 F169 L172 C185 F194 F196A155-L159 VanDerWaalsContact O-CD1 3.24Å; A155-L159 WeakPolarHBondContact O-CD1 3.38Å; A155-L159 PolarHBondContact O-N 3.02Å; E156-L159 PolarHBondContact O-N 3.28Å; E156-L159 VanDerWaalsContact O-N 3.15Å; L159-G161 PolarHBondContact O-N 3.35Å; L159-G161 VanDerWaalsContact O-N 3.09Å; L159-I162 WeakPolarHBondContact O-CB 3.46Å; L159-I162 VanDerWaalsContact O-CG2 3.26Å; L159-I162 WeakPolarHBondContact O-CG2 3.5Å; L159-I162 PolarHBondContact O-N 3.17Å; L159-F169 HydrophobicContact CD1-CE1 4.32Å; L159-F169 HydrophobicContact CD1-CZ 3.78Å; L159-F169 HydrophobicContact CG-CE1 4.06Å; L159-F169 HydrophobicContact CG-CZ 4.02Å; L159-L172 HydrophobicContact CD2-CD2 4.45Å; L159-C185 HydrophobicContact CD2-CB 4.12Å; L159-F194 HydrophobicContact CD2-CD2 4.36Å; L159-F196 HydrophobicContact CD2-CE1 3.8Å
160D97.6Very high98.1Very high109 Ų10951.8 Ų51.858%0.58327%0.274SS*.THydrogen-bonded Turntrans-57.1112.4177-17925.8000112K121 E156 L158 I162K121-D160 IonicContact NZ-OD2 3.39Å; E156-D160 PolarHBondContact O-N 3.47Å; E156-D160 VanDerWaalsContact O-N 3.09Å; L158-D160 VanDerWaalsContact C-N 3.33Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.09Å
161G94.8Very high98.1Very high37 Ų3750 Ų5038%0.38126%0.256SS..THydrogen-bonded Turntrans68.814.9-177.100000115.1L159 L163 D164L159-G161 PolarHBondContact O-N 3.35Å; L159-G161 VanDerWaalsContact O-N 3.09Å; G161-L163 VanDerWaalsContact C-N 3.26Å; G161-L163 PolarHBondContact O-N 3.01Å; G161-L163 VanDerWaalsContact O-N 3.17Å; G161-D164 WeakPolarHBondContact O-CB 3.42Å; G161-D164 PolarHBondContact O-N 3.14Å; G161-D164 VanDerWaalsContact O-N 3.14Å
162I98.4Very high98.1Very high2 Ų249.9 Ų49.91%0.0126%0.255CS..G310 helixtrans-60.6-32-170.4-165.856.5000113.8I125 L158 L159 D160 D164 K165 I166 F169 F194I125-I162 HydrophobicContact CD1-CD1 4.01Å; I125-I162 HydrophobicContact CG1-CD1 3.82Å; I125-I162 HydrophobicContact CG2-CD1 4.12Å; L158-I162 HydrophobicContact CD2-CD1 4.13Å; L158-I162 HydrophobicContact CD2-CG1 4.44Å; L159-I162 WeakPolarHBondContact O-CB 3.46Å; L159-I162 VanDerWaalsContact O-CG2 3.26Å; L159-I162 WeakPolarHBondContact O-CG2 3.5Å; L159-I162 PolarHBondContact O-N 3.17Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.09Å; I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 3.04Å; I162-K165 PolarHBondContact O-N 3.32Å; I162-I166 HydrophobicContact CD1-CD1 3.85Å; I162-I166 HydrophobicContact CD1-CG1 4.11Å; I162-I166 HydrophobicContact CG1-CB 4.49Å; I162-I166 HydrophobicContact CG1-CD1 4.39Å; I162-I166 PolarHBondContact O-N 3.32Å; I162-F169 HydrophobicContact CG1-CB 4.44Å; I162-F169 HydrophobicContact CG1-CD2 3.67Å; I162-F169 HydrophobicContact CG1-CE2 3.99Å; I162-F169 HydrophobicContact CG1-CG 3.98Å; I162-F169 HydrophobicContact CG2-CB 4.31Å; I162-F169 HydrophobicContact CG2-CD1 3.71Å; I162-F169 HydrophobicContact CG2-CD2 4.32Å; I162-F169 HydrophobicContact CG2-CE1 4.07Å; I162-F169 HydrophobicContact CG2-CG 3.86Å; I162-F194 HydrophobicContact CG2-CE2 4.27Å; I162-F194 HydrophobicContact CG2-CZ 4Å
163L97.9Very high98.2Very high67 Ų6740.3 Ų40.335%0.35121%0.214SC..G310 helixtrans-65.3-27.4-179.3-74.3171.6000113.3G161 K165 F169 Q192 F194G161-L163 VanDerWaalsContact C-N 3.26Å; G161-L163 PolarHBondContact O-N 3.01Å; G161-L163 VanDerWaalsContact O-N 3.17Å; L163-K165 PolarHBondContact O-N 2.78Å; L163-F169 HydrophobicContact CD2-CB 4.16Å; L163-Q192 HydrophobicContact CD1-CB 4.22Å; L163-Q192 HydrophobicContact CD1-CG 3.79Å; L163-F194 HydrophobicContact CD1-CE1 4.15Å; L163-F194 HydrophobicContact CD1-CZ 3.91Å; L163-F194 HydrophobicContact CD2-CE1 4.09Å; L163-F194 HydrophobicContact CD2-CZ 4.23Å; L163-F194 HydrophobicContact CG-CE1 4.2Å; L163-F194 HydrophobicContact CG-CZ 3.87Å
164D97.9Very high98.2Very high143 Ų14339.8 Ų39.877%0.76521%0.211SC*.G310 helixtrans-68.3-20.3175.5-65.5-23.7000111.9G161 I162G161-D164 WeakPolarHBondContact O-CB 3.42Å; G161-D164 PolarHBondContact O-N 3.14Å; G161-D164 VanDerWaalsContact O-N 3.14Å; I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 3.04Å
165K98.3Very high98.2Very high115 Ų11537 Ų3750%0.520%0.203SC..THydrogen-bonded Turntrans-107.1-36.7-179.3-55.5-57.7-176-170.90112.2I125 K129 I162 L163I125-K165 HydrophobicContact CG2-CB 3.57Å; I125-K165 HydrophobicContact CG2-CG 3.85Å; K129-K165 WeakPolarHBondContact CG-O 3.26Å; I162-K165 PolarHBondContact O-N 3.32Å; L163-K165 PolarHBondContact O-N 2.78Å
166I98.6Very high98.2Very high1 Ų139 Ų391%0.00521%0.213CC..  trans-130.685.7-176.6-50.4-175.8000108.4L128 K129 A132 F140 I162 T168 F169L128-I166 HydrophobicContact CB-CD1 3.59Å; K129-I166 HydrophobicContact CB-CD1 4.47Å; K129-I166 HydrophobicContact CB-CG1 4.08Å; A132-I166 HydrophobicContact CB-CG2 3.59Å; F140-I166 HydrophobicContact CB-CG2 4.46Å; F140-I166 HydrophobicContact CD1-CG2 4.21Å; F140-I166 HydrophobicContact CE1-CD1 4.38Å; F140-I166 HydrophobicContact CG-CG2 4.27Å; I162-I166 HydrophobicContact CD1-CD1 3.85Å; I162-I166 HydrophobicContact CD1-CG1 4.11Å; I162-I166 HydrophobicContact CG1-CB 4.49Å; I162-I166 HydrophobicContact CG1-CD1 4.39Å; I162-I166 PolarHBondContact O-N 3.32Å; I166-T168 PolarHBondContact O-N 3.1Å; I166-T168 VanDerWaalsContact O-N 3.14Å; I166-F169 HydrophobicContact CB-CB 4.18Å; I166-F169 HydrophobicContact CG2-CB 4.05Å; I166-F169 WeakPolarHBondContact O-CB 3.48Å; I166-F169 PolarHBondContact O-N 3.07Å
167P97.8Very high98.2Very high107 Ų10740.8 Ų40.870%0.69523%0.227SC*.THydrogen-bonded Turntrans-62.9-21.7-176.4-25.235.3000114.4F169P167-F169 VanDerWaalsContact C-N 3.33Å
168T98.1Very high98.2Very high11 Ų1140 Ų407%0.06723%0.226CC..THydrogen-bonded Turntrans-86.60.1177.251.30000113.7F3 P136 L138 F140 I166 Q170F3-T168 HydrophobicContact CZ-CG2 4.43Å; P136-T168 WeakPolarHBondContact O-CG2 3.33Å; L138-T168 WeakPolarHBondContact O-CB 3.3Å; F140-T168 PolarHBondContact N-O 3.3Å; I166-T168 PolarHBondContact O-N 3.1Å; I166-T168 VanDerWaalsContact O-N 3.14Å; T168-Q170 WeakPolarHBondContact O-CG 3.38Å; T168-Q170 PolarHBondContact O-N 2.89Å
169F98.6Very high98.1Very high1 Ų142 Ų420%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-62.2125.2-179.5-166.4-83.2000110.8F140 L158 L159 I162 L163 I166 P167 G171 F194F140-F169 AromaticContact CD1-CD2 3.83Å; F140-F169 HydrophobicContact CD1-CD2 3.83Å; F140-F169 HydrophobicContact CD1-CE2 4.35Å; F140-F169 HydrophobicContact CE1-CD2 4.29Å; L158-F169 HydrophobicContact CD2-CE2 4.49Å; L159-F169 HydrophobicContact CD1-CE1 4.32Å; L159-F169 HydrophobicContact CD1-CZ 3.78Å; L159-F169 HydrophobicContact CG-CE1 4.06Å; L159-F169 HydrophobicContact CG-CZ 4.02Å; I162-F169 HydrophobicContact CG1-CB 4.44Å; I162-F169 HydrophobicContact CG1-CD2 3.67Å; I162-F169 HydrophobicContact CG1-CE2 3.99Å; I162-F169 HydrophobicContact CG1-CG 3.98Å; I162-F169 HydrophobicContact CG2-CB 4.31Å; I162-F169 HydrophobicContact CG2-CD1 3.71Å; I162-F169 HydrophobicContact CG2-CD2 4.32Å; I162-F169 HydrophobicContact CG2-CE1 4.07Å; I162-F169 HydrophobicContact CG2-CG 3.86Å; L163-F169 HydrophobicContact CD2-CB 4.16Å; I166-F169 HydrophobicContact CB-CB 4.18Å; I166-F169 HydrophobicContact CG2-CB 4.05Å; I166-F169 WeakPolarHBondContact O-CB 3.48Å; I166-F169 PolarHBondContact O-N 3.07Å; P167-F169 VanDerWaalsContact C-N 3.33Å; F169-G171 WeakPolarHBondContact CE1-O 3.49Å; F169-G171 WeakPolarHBondContact CZ-O 3.37Å; F169-F194 HydrophobicContact CD1-CD1 4.09Å; F169-F194 AromaticContact CD1-CE1 3.64Å; F169-F194 HydrophobicContact CD1-CE1 3.64Å; F169-F194 HydrophobicContact CD1-CE2 4.11Å; F169-F194 AromaticContact CD1-CZ 3.65Å; F169-F194 HydrophobicContact CD1-CZ 3.65Å; F169-F194 HydrophobicContact CE1-CD1 4.46Å; F169-F194 HydrophobicContact CE1-CD2 4.28Å; F169-F194 HydrophobicContact CE1-CE1 4.32Å; F169-F194 HydrophobicContact CE1-CE2 4.14Å; F169-F194 HydrophobicContact CE1-CG 4.45Å; F169-F194 HydrophobicContact CE1-CZ 4.15Å; F169-F194 WeakPolarHBondContact O-CE1 3.23Å
170Q98.4Very high98.2Very high42 Ų4247.5 Ų47.520%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-128.9-6.4-174.5-74.1-73.8-1.200113.1P139 F140 Y141 T168 F194 A195P139-Q170 HydrophobicContact CB-CB 4.02Å; P139-Q170 HydrophobicContact CB-CG 3.83Å; P139-Q170 HydrophobicContact CG-CG 4.43Å; F140-Q170 PolarHBondContact O-N 3.3Å; Y141-Q170 HydrophobicContact CE1-CB 3.99Å; T168-Q170 WeakPolarHBondContact O-CG 3.38Å; T168-Q170 PolarHBondContact O-N 2.89Å; Q170-F194 CarbonylContact O-C 3.55Å; Q170-F194 WeakPolarHBondContact O-CA 3.39Å; Q170-A195 PolarHBondContact O-N 2.78Å
171G98.3Very high98.2Very high0 Ų042.4 Ų42.40%024%0.238CC..EExtended strand (participates in β ladder)trans163.9-165.617200000116.6Y141 Y142 F169 A195Y141-G171 VanDerWaalsContact CA-O 3.32Å; Y141-G171 WeakPolarHBondContact CA-O 3.48Å; Y142-G171 PolarHBondContact N-O 2.87Å; F169-G171 WeakPolarHBondContact CE1-O 3.49Å; F169-G171 WeakPolarHBondContact CZ-O 3.37Å; G171-A195 CarbonylContact C-O 3.58Å; G171-A195 WeakPolarHBondContact CA-O 3.4Å
172L98.8Very high98.4Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-135.7129.7-167.8174.366.8000109.4Y142 H144 A155 L159 F174 C185 A195 L197Y142-L172 HydrophobicContact CD1-CD1 3.63Å; Y142-L172 HydrophobicContact CE1-CD1 4.39Å; Y142-L172 HydrophobicContact CG-CD1 4.4Å; H144-L172 HydrophobicContact CB-CD1 3.87Å; A155-L172 HydrophobicContact CB-CD1 4.2Å; A155-L172 HydrophobicContact CB-CD2 4.02Å; L159-L172 HydrophobicContact CD2-CD2 4.45Å; L172-F174 HydrophobicContact CD2-CB 4.02Å; L172-F174 HydrophobicContact CD2-CD2 3.94Å; L172-F174 HydrophobicContact CD2-CG 4.4Å; L172-F174 HydrophobicContact CG-CB 4.01Å; L172-F174 HydrophobicContact CG-CD2 4.49Å; L172-C185 HydrophobicContact CD2-CB 4.07Å; L172-A195 PolarHBondContact N-O 3.46Å; L172-L197 WeakPolarHBondContact O-CB 3.26Å; L172-L197 PolarHBondContact O-N 3.06Å
173K98.7Very high98.4Very high7 Ų741 Ų413%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-97.2109.8157.8175.8-177.8175.7-168.50107.8F47 Y142 Y143 H144 L197 V216F47-K173 HydrophobicContact CD2-CD 4.48Å; F47-K173 HydrophobicContact CE1-CD 4.21Å; F47-K173 HydrophobicContact CE2-CD 4.03Å; F47-K173 HydrophobicContact CZ-CD 3.89Å; Y142-K173 PolarHBondContact O-N 2.92Å; Y143-K173 HydrophobicContact CD2-CB 4.16Å; Y143-K173 HydrophobicContact CD2-CD 3.49Å; Y143-K173 VanDerWaalsContact CD2-CD 3.49Å; Y143-K173 HydrophobicContact CD2-CG 3.79Å; Y143-K173 HydrophobicContact CE2-CD 3.56Å; Y143-K173 HydrophobicContact CE2-CG 4.07Å; Y143-K173 HydrophobicContact CG-CD 4.1Å; Y143-K173 VanDerWaalsContact CZ-NZ 3.28Å; Y143-K173 PolarHBondContact OH-NZ 3.35Å; H144-K173 PolarHBondContact N-O 3.4Å; K173-L197 CarbonylContact C-O 3.47Å; K173-L197 WeakPolarHBondContact CA-O 3.47Å; K173-V216 HydrophobicContact CD-CB 3.86Å; K173-V216 HydrophobicContact CD-CG1 3.72Å; K173-V216 HydrophobicContact CD-CG2 4.32Å; K173-V216 HydrophobicContact CG-CB 4.03Å; K173-V216 HydrophobicContact CG-CG1 4.44Å; K173-V216 HydrophobicContact CG-CG2 4.27Å
174F98.8Very high98.5Very high0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-106.199.2-175.5-168.7-91.9000111.1H144 A155 L172 D176 D178 D181 F182 L197 F198 G199H144-F174 HydrophobicContact CB-CD2 4.27Å; H144-F174 AromaticContact CD2-CD2 3.41Å; H144-F174 VanDerWaalsContact CD2-CD2 3.41Å; H144-F174 WeakPolarHBondContact CD2-CD2 3.48Å; H144-F174 AromaticContact CD2-CE2 3.33Å; H144-F174 WeakPolarHBondContact CD2-CE2 3.14Å; H144-F174 AromaticContact NE2-CE2 3.67Å; A155-F174 HydrophobicContact CB-CD2 3.77Å; A155-F174 HydrophobicContact CB-CE2 3.69Å; L172-F174 HydrophobicContact CD2-CB 4.02Å; L172-F174 HydrophobicContact CD2-CD2 3.94Å; L172-F174 HydrophobicContact CD2-CG 4.4Å; L172-F174 HydrophobicContact CG-CB 4.01Å; L172-F174 HydrophobicContact CG-CD2 4.49Å; F174-D176 HydrophobicContact CD1-CB 4.26Å; F174-D176 HydrophobicContact CE1-CB 3.63Å; F174-D176 VanDerWaalsContact CE1-O 3.26Å; F174-D176 WeakPolarHBondContact CE1-O 3.36Å; F174-D176 HydrophobicContact CE2-CB 4.48Å; F174-D176 HydrophobicContact CZ-CB 3.76Å; F174-D178 WeakPolarHBondContact CZ-O 3.28Å; F174-D181 HydrophobicContact CE2-CB 4.28Å; F174-D181 HydrophobicContact CZ-CB 4.06Å; F174-F182 HydrophobicContact CB-CD2 3.7Å; F174-F182 HydrophobicContact CB-CE2 4.02Å; F174-F182 HydrophobicContact CD1-CB 3.96Å; F174-F182 AromaticContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CG 4.18Å; F174-F182 HydrophobicContact CD2-CD2 4.32Å; F174-F182 HydrophobicContact CE1-CB 3.78Å; F174-F182 HydrophobicContact CE1-CD2 4.43Å; F174-F182 HydrophobicContact CE1-CG 4.48Å; F174-F182 HydrophobicContact CG-CB 4.41Å; F174-F182 AromaticContact CG-CD2 3.67Å; F174-F182 HydrophobicContact CG-CD2 3.67Å; F174-F182 HydrophobicContact CG-CE2 4.47Å; F174-F182 HydrophobicContact CG-CG 4.47Å; F174-F182 HydrophobicContact CZ-CB 4.1Å; F174-L197 PolarHBondContact N-O 3.22Å; F174-F198 HydrophobicContact CD1-CD2 4.01Å; F174-F198 AromaticContact CD1-CE2 3.78Å; F174-F198 HydrophobicContact CD1-CE2 3.78Å; F174-F198 HydrophobicContact CE1-CE2 4.29Å; F174-G199 PolarHBondContact O-N 3.29Å
175S98.4Very high98.5Very high15 Ų1533.9 Ų33.911%0.10518%0.184CC..  trans-10465.2176.3-68.60000110.4H144 G199H144-S175 WeakPolarHBondContact O-CB 3.15Å; H144-S175 PolarHBondContact O-N 3.45Å; S175-G199 WeakPolarHBondContact OG-CA 3.3Å; S175-G199 PolarHBondContact OG-O 2.82Å
176D98.4Very high98.5Very high42 Ų4229.1 Ų29.123%0.22516%0.164CC..SBendtrans-146.6162.5172-168.214.6000109.7P146 F174 F198P146-D176 HydrophobicContact CG-CB 3.82Å; P146-D176 WeakPolarHBondContact CG-OD2 3.36Å; F174-D176 HydrophobicContact CD1-CB 4.26Å; F174-D176 HydrophobicContact CE1-CB 3.63Å; F174-D176 VanDerWaalsContact CE1-O 3.26Å; F174-D176 WeakPolarHBondContact CE1-O 3.36Å; F174-D176 HydrophobicContact CE2-CB 4.48Å; F174-D176 HydrophobicContact CZ-CB 3.76Å; D176-F198 WeakPolarHBondContact O-CE2 3.46Å; D176-F198 WeakPolarHBondContact O-CZ 3.18Å
177T98.3Very high98.5Very high81 Ų8132.4 Ų32.450%0.49718%0.182SC..SBendtrans-99.3-2.7-178.561.70000113.5L179 V200T177-L179 PolarHBondContact O-N 2.9Å; T177-V200 HydrophobicContact CG2-CG1 4.3Å; T177-V200 HydrophobicContact CG2-CG2 4.35Å
178D98.6Very high98.5Very high61 Ų6132.7 Ų32.733%0.32617%0.174SC..  trans-69.189.4171.2-172.2-13.5000111F174 L180 D181 F182F174-D178 WeakPolarHBondContact CZ-O 3.28Å; D178-L180 PolarHBondContact O-N 3.09Å; D178-L180 WeakPolarHBondContact OD1-CA 3.5Å; D178-L180 WeakPolarHBondContact OD1-CB 3.43Å; D178-L180 PolarHBondContact OD1-N 3.15Å; D178-D181 HydrophobicContact CB-CB 4.23Å; D178-D181 PolarHBondContact O-N 2.99Å; D178-D181 PolarHBondContact OD1-N 2.91Å; D178-F182 PolarHBondContact O-N 2.95Å; D178-F182 VanDerWaalsContact O-N 3.13Å
179L98.4Very high98.4Very high42 Ų4232.5 Ų32.522%0.2217%0.173CC..Hα-helixtrans-73.9-12.4178.1-63.1-178.6000113.5T177 F182 G183 F198 S206 A207 M210T177-L179 PolarHBondContact O-N 2.9Å; L179-F182 HydrophobicContact CD2-CB 4.48Å; L179-G183 WeakPolarHBondContact O-CA 3.15Å; L179-G183 PolarHBondContact O-N 3.43Å; L179-F198 HydrophobicContact CD2-CE2 3.82Å; L179-F198 HydrophobicContact CD2-CZ 4.03Å; L179-S206 WeakPolarHBondContact CD1-OG 3.47Å; L179-A207 HydrophobicContact CD2-CB 4.43Å; L179-M210 HydrophobicContact CB-CG 4.48Å; L179-M210 HydrophobicContact CD1-CG 4.41Å
180L98.7Very high98Very high114 Ų11440.9 Ų40.960%0.59720%0.204SC*.Hα-helixtrans-71.4-47.2170.5174.363000109.4D178 G183 Q184D178-L180 PolarHBondContact O-N 3.09Å; D178-L180 WeakPolarHBondContact OD1-CA 3.5Å; D178-L180 WeakPolarHBondContact OD1-CB 3.43Å; D178-L180 PolarHBondContact OD1-N 3.15Å; L180-G183 PolarHBondContact O-N 2.64Å; L180-Q184 HydrophobicContact CD1-CG 4.34Å; L180-Q184 WeakPolarHBondContact O-CG 3.47Å; L180-Q184 PolarHBondContact O-N 3.34Å
181D98.8Very high97.6Very high3 Ų347.4 Ų47.42%0.01624%0.235CC..Hα-helixtrans-59-50.6172.9-171.112000111.4R154 A155 E156 F174 D178 G183 Q184 C185R154-D181 WeakPolarHBondContact CA-OD2 3.31Å; R154-D181 WeakPolarHBondContact CB-OD2 3.26Å; R154-D181 IonicContact NH2-OD1 2.85Å; A155-D181 PolarHBondContact N-OD1 3.32Å; A155-D181 PolarHBondContact N-OD2 2.97Å; E156-D181 WeakPolarHBondContact CB-OD1 3.41Å; E156-D181 WeakPolarHBondContact CG-OD1 3.49Å; E156-D181 PolarHBondContact N-OD1 2.67Å; F174-D181 HydrophobicContact CE2-CB 4.28Å; F174-D181 HydrophobicContact CZ-CB 4.06Å; D178-D181 HydrophobicContact CB-CB 4.23Å; D178-D181 PolarHBondContact O-N 2.99Å; D178-D181 PolarHBondContact OD1-N 2.91Å; D181-G183 PolarHBondContact O-N 3.31Å; D181-Q184 PolarHBondContact O-N 3.37Å; D181-C185 PolarHBondContact O-N 2.83Å; D181-C185 PolarHBondContact O-SG 2.83Å
182F98.8Very high97.2Very high0 Ų050.3 Ų50.30%025%0.249CC..Hα-helixtrans-60.4-44.3177.4-174.9-104.2000113.2F174 D178 L179 Q184 C185 V186 F196 F198 A207 M210 A212F174-F182 HydrophobicContact CB-CD2 3.7Å; F174-F182 HydrophobicContact CB-CE2 4.02Å; F174-F182 HydrophobicContact CD1-CB 3.96Å; F174-F182 AromaticContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CD2 3.76Å; F174-F182 HydrophobicContact CD1-CG 4.18Å; F174-F182 HydrophobicContact CD2-CD2 4.32Å; F174-F182 HydrophobicContact CE1-CB 3.78Å; F174-F182 HydrophobicContact CE1-CD2 4.43Å; F174-F182 HydrophobicContact CE1-CG 4.48Å; F174-F182 HydrophobicContact CG-CB 4.41Å; F174-F182 AromaticContact CG-CD2 3.67Å; F174-F182 HydrophobicContact CG-CD2 3.67Å; F174-F182 HydrophobicContact CG-CE2 4.47Å; F174-F182 HydrophobicContact CG-CG 4.47Å; F174-F182 HydrophobicContact CZ-CB 4.1Å; D178-F182 PolarHBondContact O-N 2.95Å; D178-F182 VanDerWaalsContact O-N 3.13Å; L179-F182 HydrophobicContact CD2-CB 4.48Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.5Å; F182-C185 VanDerWaalsContact O-CB 3.28Å; F182-C185 WeakPolarHBondContact O-CB 3.46Å; F182-C185 PolarHBondContact O-N 2.85Å; F182-V186 HydrophobicContact CD1-CG2 4.47Å; F182-V186 HydrophobicContact CE1-CG2 4.04Å; F182-V186 HydrophobicContact CZ-CG2 4.18Å; F182-V186 PolarHBondContact O-N 2.9Å; F182-V186 VanDerWaalsContact O-N 3.15Å; F182-F196 HydrophobicContact CE2-CB 4.03Å; F182-F196 HydrophobicContact CZ-CB 3.91Å; F182-F198 HydrophobicContact CD1-CD2 4.47Å; F182-F198 HydrophobicContact CD2-CD2 4.13Å; F182-F198 HydrophobicContact CE1-CD2 4.47Å; F182-F198 HydrophobicContact CE2-CD2 4.13Å; F182-F198 HydrophobicContact CG-CD2 4.29Å; F182-F198 HydrophobicContact CZ-CB 4.39Å; F182-F198 HydrophobicContact CZ-CD2 4.3Å; F182-A207 HydrophobicContact CE1-CB 4.13Å; F182-M210 HydrophobicContact CD1-CB 4.12Å; F182-M210 HydrophobicContact CE1-CB 4.33Å; F182-A212 HydrophobicContact CE1-CB 3.85Å; F182-A212 HydrophobicContact CZ-CB 3.6Å
183G98.6Very high96.8Very high10 Ų1057.3 Ų57.310%0.10328%0.281CS..Hα-helixtrans-62-40.4178.800000112.5L179 L180 D181 V186 D187L179-G183 WeakPolarHBondContact O-CA 3.15Å; L179-G183 PolarHBondContact O-N 3.43Å; L180-G183 PolarHBondContact O-N 2.64Å; D181-G183 PolarHBondContact O-N 3.31Å; G183-V186 PolarHBondContact O-N 3.14Å; G183-D187 WeakPolarHBondContact O-CB 3.42Å; G183-D187 PolarHBondContact O-N 3.09Å
184Q98.7Very high96.7Very high60 Ų6057.1 Ų57.128%0.2828%0.28SS..Hα-helixtrans-67.3-36.8174.2-70.3-59.3-43.400112.1E156 L180 D181 F182 V186 D187 Q188E156-Q184 HydrophobicContact CB-CB 3.83Å; E156-Q184 HydrophobicContact CG-CB 4.04Å; L180-Q184 HydrophobicContact CD1-CG 4.34Å; L180-Q184 WeakPolarHBondContact O-CG 3.47Å; L180-Q184 PolarHBondContact O-N 3.34Å; D181-Q184 PolarHBondContact O-N 3.37Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.5Å; Q184-V186 VanDerWaalsContact C-N 3.28Å; Q184-V186 PolarHBondContact O-N 3.16Å; Q184-D187 PolarHBondContact O-N 3.44Å; Q184-Q188 WeakPolarHBondContact O-CB 3.41Å; Q184-Q188 VanDerWaalsContact O-CG 3.31Å; Q184-Q188 WeakPolarHBondContact O-CG 3.44Å; Q184-Q188 PolarHBondContact O-N 3.22Å
185C98.6Very high96.7Very high0 Ų057.1 Ų57.10%028%0.281CS..Hα-helixtrans-54-47.4171.9-67.10000111.2E156 L159 L172 D181 F182 N189 F196E156-C185 VanDerWaalsContact CA-SG 3.53Å; E156-C185 PolarHBondContact N-SG 3.28Å; L159-C185 HydrophobicContact CD2-CB 4.12Å; L172-C185 HydrophobicContact CD2-CB 4.07Å; D181-C185 PolarHBondContact O-N 2.83Å; D181-C185 PolarHBondContact O-SG 2.83Å; F182-C185 VanDerWaalsContact O-CB 3.28Å; F182-C185 WeakPolarHBondContact O-CB 3.46Å; F182-C185 PolarHBondContact O-N 2.85Å; C185-N189 WeakPolarHBondContact O-CB 3.47Å; C185-N189 PolarHBondContact O-ND2 3.28Å; C185-F196 HydrophobicContact CB-CD1 4.16Å; C185-F196 HydrophobicContact CB-CE1 3.98Å; C185-F196 VanDerWaalsContact O-CE1 3.31Å; C185-F196 WeakPolarHBondContact O-CE1 3.33Å; C185-F196 VanDerWaalsContact O-CZ 3.27Å; C185-F196 WeakPolarHBondContact O-CZ 3.47Å
186V98.4Very high96.7Very high14 Ų1457 Ų579%0.08528%0.278CS..Hα-helixtrans-67.3-48.6179.81770000111.5F182 G183 Q184 R190 F196F182-V186 HydrophobicContact CD1-CG2 4.47Å; F182-V186 HydrophobicContact CE1-CG2 4.04Å; F182-V186 HydrophobicContact CZ-CG2 4.18Å; F182-V186 PolarHBondContact O-N 2.9Å; F182-V186 VanDerWaalsContact O-N 3.15Å; G183-V186 PolarHBondContact O-N 3.14Å; Q184-V186 VanDerWaalsContact C-N 3.28Å; Q184-V186 PolarHBondContact O-N 3.16Å; V186-R190 WeakPolarHBondContact O-CG 3.18Å; V186-F196 HydrophobicContact CB-CD2 4.39Å; V186-F196 HydrophobicContact CG1-CD2 4.47Å; V186-F196 HydrophobicContact CG2-CB 4Å; V186-F196 HydrophobicContact CG2-CD1 4.17Å; V186-F196 HydrophobicContact CG2-CD2 3.86Å; V186-F196 HydrophobicContact CG2-CE2 4.41Å; V186-F196 HydrophobicContact CG2-CG 3.74Å
187D98.3Very high96.7Very high70 Ų7055.1 Ų55.137%0.37427%0.268SS..Hα-helixtrans-70.2-43-171.6-167.249.6000113.3G183 Q184 N189 R190G183-D187 WeakPolarHBondContact O-CB 3.42Å; G183-D187 PolarHBondContact O-N 3.09Å; Q184-D187 PolarHBondContact O-N 3.44Å; D187-N189 VanDerWaalsContact C-N 3.27Å; D187-N189 PolarHBondContact O-N 2.95Å; D187-R190 WeakPolarHBondContact O-CG 3.3Å; D187-R190 IonicContact OD1-CZ 3.1Å; D187-R190 IonicContact OD1-NE 2.72Å; D187-R190 PolarHBondContact OD1-NE 3.4Å; D187-R190 IonicContact OD1-NH2 3.2Å; D187-R190 PolarHBondContact OD1-NH2 3.44Å
188Q97.7Very high96.7Very high114 Ų11451.3 Ų51.353%0.53325%0.245SC..Hα-helixtrans-76.3-14-177.2-58.5-58.7-25.700113.2Q184Q184-Q188 WeakPolarHBondContact O-CB 3.41Å; Q184-Q188 VanDerWaalsContact O-CG 3.31Å; Q184-Q188 WeakPolarHBondContact O-CG 3.44Å; Q184-Q188 PolarHBondContact O-N 3.22Å
189N96.9Very high96.6Very high7 Ų749 Ų494%0.03724%0.235CC..THydrogen-bonded Turntrans-122.328.6-173.5-61.6-83.8000113.7C185 D187 Q191 Q192 F194 F196C185-N189 WeakPolarHBondContact O-CB 3.47Å; C185-N189 PolarHBondContact O-ND2 3.28Å; D187-N189 VanDerWaalsContact C-N 3.27Å; D187-N189 PolarHBondContact O-N 2.95Å; N189-Q191 PolarHBondContact O-N 3.21Å; N189-Q192 PolarHBondContact O-N 3.36Å; N189-Q192 PolarHBondContact O-OE1 3.04Å; N189-Q192 PolarHBondContact OD1-NE2 3.43Å; N189-F194 HydrophobicContact CB-CD2 3.79Å; N189-F194 HydrophobicContact CB-CE2 4Å; N189-F196 HydrophobicContact CB-CZ 3.88Å
190R90.3Very high96.6Very high176 Ų17647.9 Ų47.966%0.66423%0.23SC*.THydrogen-bonded Turntrans-59.9-27-179-71173.5-175.7-83.1-0.5114.4V186 D187V186-R190 WeakPolarHBondContact O-CG 3.18Å; D187-R190 WeakPolarHBondContact O-CG 3.3Å; D187-R190 IonicContact OD1-CZ 3.1Å; D187-R190 IonicContact OD1-NE 2.72Å; D187-R190 PolarHBondContact OD1-NE 3.4Å; D187-R190 IonicContact OD1-NH2 3.2Å; D187-R190 PolarHBondContact OD1-NH2 3.44Å
191Q89.7Confident96.4Very high179 Ų17944.2 Ų44.284%0.83621%0.211SC*.THydrogen-bonded Turntrans-84.8-21.4-173.9-57.6176.915.500112.5N189 Q193N189-Q191 PolarHBondContact O-N 3.21Å; Q191-Q193 VanDerWaalsContact C-N 3.33Å; Q191-Q193 PolarHBondContact O-N 3.16Å
192Q88.4Confident96.2Very high62 Ų6251 Ų5129%0.2924%0.243SC..THydrogen-bonded Turntrans-87.7-2.1-166.8-64.684-32.400113.1L163 N189 F194L163-Q192 HydrophobicContact CD1-CB 4.22Å; L163-Q192 HydrophobicContact CD1-CG 3.79Å; N189-Q192 PolarHBondContact O-N 3.36Å; N189-Q192 PolarHBondContact O-OE1 3.04Å; N189-Q192 PolarHBondContact OD1-NE2 3.43Å; Q192-F194 HydrophobicContact CB-CD1 3.91Å; Q192-F194 HydrophobicContact CB-CD2 3.83Å; Q192-F194 HydrophobicContact CB-CE1 3.63Å; Q192-F194 HydrophobicContact CB-CE2 3.56Å; Q192-F194 HydrophobicContact CB-CG 4Å; Q192-F194 HydrophobicContact CB-CZ 3.45Å; Q192-F194 VanDerWaalsContact CB-CZ 3.45Å; Q192-F194 HydrophobicContact CG-CE1 4.43Å; Q192-F194 HydrophobicContact CG-CE2 3.92Å; Q192-F194 HydrophobicContact CG-CZ 3.84Å; Q192-F194 WeakPolarHBondContact O-CD1 3.49Å; Q192-F194 PolarHBondContact O-N 2.83Å; Q192-F194 VanDerWaalsContact O-N 3.08Å
193Q90.9Very high96Very high146 Ų14653.8 Ų53.868%0.68226%0.256SS*.THydrogen-bonded Turntrans56.220.3179.8-54.7-175.222.700115.3K7 Q191K7-Q193 WeakPolarHBondContact CE-O 3.43Å; K7-Q193 PolarHBondContact NZ-O 3.45Å; Q191-Q193 VanDerWaalsContact C-N 3.33Å; Q191-Q193 PolarHBondContact O-N 3.16Å
194F97.4Very high96Very high3 Ų355 Ų551%0.01326%0.26CS..  trans-57.9151.2-179.4-63.9-27.9000114.1K7 L159 I162 L163 F169 Q170 N189 Q192 F196K7-F194 WeakPolarHBondContact CE-O 3.49Å; K7-F194 PolarHBondContact NZ-O 2.67Å; L159-F194 HydrophobicContact CD2-CD2 4.36Å; I162-F194 HydrophobicContact CG2-CE2 4.27Å; I162-F194 HydrophobicContact CG2-CZ 4Å; L163-F194 HydrophobicContact CD1-CE1 4.15Å; L163-F194 HydrophobicContact CD1-CZ 3.91Å; L163-F194 HydrophobicContact CD2-CE1 4.09Å; L163-F194 HydrophobicContact CD2-CZ 4.23Å; L163-F194 HydrophobicContact CG-CE1 4.2Å; L163-F194 HydrophobicContact CG-CZ 3.87Å; F169-F194 HydrophobicContact CD1-CD1 4.09Å; F169-F194 AromaticContact CD1-CE1 3.64Å; F169-F194 HydrophobicContact CD1-CE1 3.64Å; F169-F194 HydrophobicContact CD1-CE2 4.11Å; F169-F194 AromaticContact CD1-CZ 3.65Å; F169-F194 HydrophobicContact CD1-CZ 3.65Å; F169-F194 HydrophobicContact CE1-CD1 4.46Å; F169-F194 HydrophobicContact CE1-CD2 4.28Å; F169-F194 HydrophobicContact CE1-CE1 4.32Å; F169-F194 HydrophobicContact CE1-CE2 4.14Å; F169-F194 HydrophobicContact CE1-CG 4.45Å; F169-F194 HydrophobicContact CE1-CZ 4.15Å; F169-F194 WeakPolarHBondContact O-CE1 3.23Å; Q170-F194 CarbonylContact O-C 3.55Å; Q170-F194 WeakPolarHBondContact O-CA 3.39Å; N189-F194 HydrophobicContact CB-CD2 3.79Å; N189-F194 HydrophobicContact CB-CE2 4Å; Q192-F194 HydrophobicContact CB-CD1 3.91Å; Q192-F194 HydrophobicContact CB-CD2 3.83Å; Q192-F194 HydrophobicContact CB-CE1 3.63Å; Q192-F194 HydrophobicContact CB-CE2 3.56Å; Q192-F194 HydrophobicContact CB-CG 4Å; Q192-F194 HydrophobicContact CB-CZ 3.45Å; Q192-F194 VanDerWaalsContact CB-CZ 3.45Å; Q192-F194 HydrophobicContact CG-CE1 4.43Å; Q192-F194 HydrophobicContact CG-CE2 3.92Å; Q192-F194 HydrophobicContact CG-CZ 3.84Å; Q192-F194 WeakPolarHBondContact O-CD1 3.49Å; Q192-F194 PolarHBondContact O-N 2.83Å; Q192-F194 VanDerWaalsContact O-N 3.08Å; F194-F196 HydrophobicContact CB-CE1 4.18Å; F194-F196 HydrophobicContact CB-CE2 4.04Å; F194-F196 HydrophobicContact CB-CZ 3.74Å; F194-F196 HydrophobicContact CD2-CE1 4.44Å; F194-F196 HydrophobicContact CD2-CZ 4.1Å; F194-F196 HydrophobicContact CG-CZ 4.45Å
195A98.2Very high95.9Very high1 Ų158.9 Ų58.91%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-83118.8165.100000109.7L8 Y141 Q170 G171 L172 L197L8-A195 HydrophobicContact CB-CB 4.41Å; L8-A195 VanDerWaalsContact O-CB 3.31Å; L8-A195 WeakPolarHBondContact O-CB 3.49Å; Y141-A195 HydrophobicContact CE1-CB 4.04Å; Q170-A195 PolarHBondContact O-N 2.78Å; G171-A195 CarbonylContact C-O 3.58Å; G171-A195 WeakPolarHBondContact CA-O 3.4Å; L172-A195 PolarHBondContact N-O 3.46Å; A195-L197 HydrophobicContact CB-CD1 4.46Å; A195-L197 HydrophobicContact CB-CD2 4.34Å; A195-L197 HydrophobicContact CB-CG 4.14Å
196F98.5Very high95.9Very high11 Ų1160.8 Ų60.85%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-103.191.3172.4-60.6-71.2000108.1L159 F182 C185 V186 N189 F194 A212 T213L159-F196 HydrophobicContact CD2-CE1 3.8Å; F182-F196 HydrophobicContact CE2-CB 4.03Å; F182-F196 HydrophobicContact CZ-CB 3.91Å; C185-F196 HydrophobicContact CB-CD1 4.16Å; C185-F196 HydrophobicContact CB-CE1 3.98Å; C185-F196 VanDerWaalsContact O-CE1 3.31Å; C185-F196 WeakPolarHBondContact O-CE1 3.33Å; C185-F196 VanDerWaalsContact O-CZ 3.27Å; C185-F196 WeakPolarHBondContact O-CZ 3.47Å; V186-F196 HydrophobicContact CB-CD2 4.39Å; V186-F196 HydrophobicContact CG1-CD2 4.47Å; V186-F196 HydrophobicContact CG2-CB 4Å; V186-F196 HydrophobicContact CG2-CD1 4.17Å; V186-F196 HydrophobicContact CG2-CD2 3.86Å; V186-F196 HydrophobicContact CG2-CE2 4.41Å; V186-F196 HydrophobicContact CG2-CG 3.74Å; N189-F196 HydrophobicContact CB-CZ 3.88Å; F194-F196 HydrophobicContact CB-CE1 4.18Å; F194-F196 HydrophobicContact CB-CE2 4.04Å; F194-F196 HydrophobicContact CB-CZ 3.74Å; F194-F196 HydrophobicContact CD2-CE1 4.44Å; F194-F196 HydrophobicContact CD2-CZ 4.1Å; F194-F196 HydrophobicContact CG-CZ 4.45Å; F196-A212 WeakPolarHBondContact O-CA 3.47Å; F196-T213 HydrophobicContact CD2-CG2 4.47Å; F196-T213 PolarHBondContact N-OG1 3.31Å; F196-T213 PolarHBondContact O-N 3.25Å; F196-T213 PolarHBondContact O-OG1 2.93Å
197L98.5Very high95.9Very high4 Ų460.1 Ų60.12%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-97.2117.8-175.4-54.8173.7000109.2L8 V12 L172 K173 F174 A195 G214 V216L8-L197 HydrophobicContact CD2-CD1 3.54Å; L8-L197 HydrophobicContact CG-CD1 3.97Å; V12-L197 HydrophobicContact CG2-CD1 4.28Å; V12-L197 HydrophobicContact CG2-CD2 4.49Å; L172-L197 WeakPolarHBondContact O-CB 3.26Å; L172-L197 PolarHBondContact O-N 3.06Å; K173-L197 CarbonylContact C-O 3.47Å; K173-L197 WeakPolarHBondContact CA-O 3.47Å; F174-L197 PolarHBondContact N-O 3.22Å; A195-L197 HydrophobicContact CB-CD1 4.46Å; A195-L197 HydrophobicContact CB-CD2 4.34Å; A195-L197 HydrophobicContact CB-CG 4.14Å; L197-G214 WeakPolarHBondContact CA-O 3.34Å; L197-V216 HydrophobicContact CB-CG2 3.67Å; L197-V216 HydrophobicContact CD1-CG2 3.58Å; L197-V216 HydrophobicContact CG-CG2 4.18Å
198F98.5Very high95.9Very high0 Ų060.8 Ų60.80%029%0.294CS..EExtended strand (participates in β ladder)trans-88138.9-179.2-165.8-106.8000111.2F174 D176 L179 F182 V200 Q203 L204 A207 A212 G214 A215 V216F174-F198 HydrophobicContact CD1-CD2 4.01Å; F174-F198 AromaticContact CD1-CE2 3.78Å; F174-F198 HydrophobicContact CD1-CE2 3.78Å; F174-F198 HydrophobicContact CE1-CE2 4.29Å; D176-F198 WeakPolarHBondContact O-CE2 3.46Å; D176-F198 WeakPolarHBondContact O-CZ 3.18Å; L179-F198 HydrophobicContact CD2-CE2 3.82Å; L179-F198 HydrophobicContact CD2-CZ 4.03Å; F182-F198 HydrophobicContact CD1-CD2 4.47Å; F182-F198 HydrophobicContact CD2-CD2 4.13Å; F182-F198 HydrophobicContact CE1-CD2 4.47Å; F182-F198 HydrophobicContact CE2-CD2 4.13Å; F182-F198 HydrophobicContact CG-CD2 4.29Å; F182-F198 HydrophobicContact CZ-CB 4.39Å; F182-F198 HydrophobicContact CZ-CD2 4.3Å; F198-V200 HydrophobicContact CD1-CB 4.44Å; F198-V200 HydrophobicContact CE1-CB 3.61Å; F198-V200 HydrophobicContact CE1-CG2 4.22Å; F198-V200 VanDerWaalsContact CE1-O 3.29Å; F198-V200 WeakPolarHBondContact CE1-O 3.31Å; F198-V200 HydrophobicContact CZ-CB 3.92Å; F198-V200 HydrophobicContact CZ-CG2 4.07Å; F198-Q203 HydrophobicContact CE1-CG 3.9Å; F198-Q203 HydrophobicContact CZ-CG 4.23Å; F198-L204 HydrophobicContact CB-CD1 4.09Å; F198-L204 HydrophobicContact CD1-CD1 4.21Å; F198-A207 HydrophobicContact CB-CB 3.62Å; F198-A207 HydrophobicContact CD1-CB 3.33Å; F198-A207 HydrophobicContact CD2-CB 3.41Å; F198-A207 VanDerWaalsContact CD2-CB 3.41Å; F198-A207 HydrophobicContact CE1-CB 3.75Å; F198-A207 HydrophobicContact CE2-CB 3.84Å; F198-A207 HydrophobicContact CG-CB 3.13Å; F198-A207 HydrophobicContact CZ-CB 4.01Å; F198-A212 HydrophobicContact CB-CB 4.19Å; F198-G214 PolarHBondContact N-O 3.41Å; F198-A215 CarbonylContact O-C 3.59Å; F198-A215 WeakPolarHBondContact O-CA 3.45Å; F198-V216 PolarHBondContact O-N 2.92Å
199G97.3Very high95.9Very high13 Ų1361.2 Ų61.213%0.13430%0.304CS..  trans-12117.5-167.600000115.8F174 S175 V216F174-G199 PolarHBondContact O-N 3.29Å; S175-G199 WeakPolarHBondContact OG-CA 3.3Å; S175-G199 PolarHBondContact OG-O 2.82Å; G199-V216 VanDerWaalsContact CA-O 3.25Å; G199-V216 WeakPolarHBondContact CA-O 3.26Å
200V96.9Very high95.9Very high18 Ų1864.7 Ų64.711%0.10932%0.321CS..  trans-116.690.4171.9-169.40000108.3T177 F198 E202 Q203 L204T177-V200 HydrophobicContact CG2-CG1 4.3Å; T177-V200 HydrophobicContact CG2-CG2 4.35Å; F198-V200 HydrophobicContact CD1-CB 4.44Å; F198-V200 HydrophobicContact CE1-CB 3.61Å; F198-V200 HydrophobicContact CE1-CG2 4.22Å; F198-V200 VanDerWaalsContact CE1-O 3.29Å; F198-V200 WeakPolarHBondContact CE1-O 3.31Å; F198-V200 HydrophobicContact CZ-CB 3.92Å; F198-V200 HydrophobicContact CZ-CG2 4.07Å; V200-E202 VanDerWaalsContact C-N 3.32Å; V200-E202 VanDerWaalsContact CG1-CD 3.43Å; V200-E202 HydrophobicContact CG1-CG 3.94Å; V200-E202 WeakPolarHBondContact CG1-OE2 3.48Å; V200-E202 PolarHBondContact O-N 3.21Å; V200-Q203 HydrophobicContact CB-CG 4.02Å; V200-Q203 HydrophobicContact CG1-CG 3.79Å; V200-Q203 PolarHBondContact O-N 3.3Å; V200-L204 PolarHBondContact O-N 3.17Å
201D94.3Very high96.3Very high37 Ų3757.8 Ų57.820%0.19831%0.305CS..G310 helixtrans-57.5-41.6-167.9-65.2-49.5000112.9Q203 L204 G217 S218 F219D201-Q203 PolarHBondContact O-N 2.81Å; D201-Q203 VanDerWaalsContact O-N 3.12Å; D201-L204 WeakPolarHBondContact O-CB 3.33Å; D201-L204 PolarHBondContact O-N 3.26Å; D201-L204 VanDerWaalsContact O-N 3.12Å; D201-G217 WeakPolarHBondContact OD1-CA 3.35Å; D201-G217 WeakPolarHBondContact OD2-CA 3.44Å; D201-S218 PolarHBondContact OD2-N 2.84Å; D201-F219 HydrophobicContact CB-CB 4.48Å; D201-F219 HydrophobicContact CB-CD2 3.23Å; D201-F219 HydrophobicContact CB-CE2 3.72Å; D201-F219 HydrophobicContact CB-CG 4.25Å; D201-F219 WeakPolarHBondContact OD2-CD2 3.38Å; D201-F219 PolarHBondContact OD2-N 3.33Å
202E94.9Very high96.7Very high146 Ų14649.9 Ų49.968%0.68227%0.27SS*.G310 helixtrans-64-16.6-176.459.7-94.6-131.600114.2V200V200-E202 VanDerWaalsContact C-N 3.32Å; V200-E202 VanDerWaalsContact CG1-CD 3.43Å; V200-E202 HydrophobicContact CG1-CG 3.94Å; V200-E202 WeakPolarHBondContact CG1-OE2 3.48Å; V200-E202 PolarHBondContact O-N 3.21Å
203Q96.1Very high97.1Very high59 Ų5949 Ų4928%0.27627%0.269SS..G310 helixtrans-126.822.7175.364.7170.860.200112.5F198 V200 D201 L205 S206F198-Q203 HydrophobicContact CE1-CG 3.9Å; F198-Q203 HydrophobicContact CZ-CG 4.23Å; V200-Q203 HydrophobicContact CB-CG 4.02Å; V200-Q203 HydrophobicContact CG1-CG 3.79Å; V200-Q203 PolarHBondContact O-N 3.3Å; D201-Q203 PolarHBondContact O-N 2.81Å; D201-Q203 VanDerWaalsContact O-N 3.12Å; Q203-L205 PolarHBondContact O-N 3.13Å; Q203-L205 VanDerWaalsContact O-N 3.11Å; Q203-S206 PolarHBondContact O-N 3.36Å; Q203-S206 PolarHBondContact O-OG 3.45Å
204L96.9Very high97.4Very high35 Ų3542.3 Ų42.318%0.18324%0.239CC..Hα-helixtrans-53.3-37-177.3175.359.4000113.5F198 V200 D201 S206 A207 L208 A215F198-L204 HydrophobicContact CB-CD1 4.09Å; F198-L204 HydrophobicContact CD1-CD1 4.21Å; V200-L204 PolarHBondContact O-N 3.17Å; D201-L204 WeakPolarHBondContact O-CB 3.33Å; D201-L204 PolarHBondContact O-N 3.26Å; D201-L204 VanDerWaalsContact O-N 3.12Å; L204-S206 PolarHBondContact O-N 2.81Å; L204-A207 PolarHBondContact O-N 3.42Å; L204-L208 HydrophobicContact CD1-CD2 4.47Å; L204-L208 HydrophobicContact CD1-CG 4.18Å; L204-L208 HydrophobicContact CG-CD1 4.16Å; L204-L208 HydrophobicContact CG-CG 4.18Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 3.18Å; L204-A215 HydrophobicContact CD1-CB 3.59Å; L204-A215 HydrophobicContact CD2-CB 3.62Å; L204-A215 HydrophobicContact CG-CB 4.26Å
205L97.6Very high97.4Very high142 Ų14242.3 Ų42.374%0.74324%0.24SC*.Hα-helixtrans-58.4-35.4179.8-177.360.8000112.6Q203 L208 V209Q203-L205 PolarHBondContact O-N 3.13Å; Q203-L205 VanDerWaalsContact O-N 3.11Å; L205-L208 PolarHBondContact O-N 3.47Å; L205-V209 PolarHBondContact O-N 3.32Å
206S98.1Very high97.4Very high39 Ų3942.4 Ų42.427%0.27324%0.24SC..Hα-helixtrans-69.7-34.9176.971.20000111.6L179 Q203 L204 V209 M210L179-S206 WeakPolarHBondContact CD1-OG 3.47Å; Q203-S206 PolarHBondContact O-N 3.36Å; Q203-S206 PolarHBondContact O-OG 3.45Å; L204-S206 PolarHBondContact O-N 2.81Å; S206-V209 WeakPolarHBondContact O-CG1 3.25Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.44Å; S206-M210 PolarHBondContact O-N 3.08Å
207A97.9Very high96.9Very high0 Ų042.2 Ų42.20%024%0.241CC..Hα-helixtrans-73.6-33175.400000112.7L179 F182 F198 L204 V209 M210 G211 A212L179-A207 HydrophobicContact CD2-CB 4.43Å; F182-A207 HydrophobicContact CE1-CB 4.13Å; F198-A207 HydrophobicContact CB-CB 3.62Å; F198-A207 HydrophobicContact CD1-CB 3.33Å; F198-A207 HydrophobicContact CD2-CB 3.41Å; F198-A207 VanDerWaalsContact CD2-CB 3.41Å; F198-A207 HydrophobicContact CE1-CB 3.75Å; F198-A207 HydrophobicContact CE2-CB 3.84Å; F198-A207 HydrophobicContact CG-CB 3.13Å; F198-A207 HydrophobicContact CZ-CB 4.01Å; L204-A207 PolarHBondContact O-N 3.42Å; A207-V209 PolarHBondContact O-N 2.93Å; A207-M210 CarbonylContact O-C 3.54Å; A207-M210 WeakPolarHBondContact O-CA 3.46Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.18Å; A207-M210 VanDerWaalsContact O-N 3.1Å; A207-G211 PolarHBondContact O-N 3.3Å; A207-G211 VanDerWaalsContact O-N 3.14Å; A207-A212 HydrophobicContact CB-CB 4.09Å; A207-A212 VanDerWaalsContact O-CB 3.3Å; A207-A212 WeakPolarHBondContact O-CB 3.34Å; A207-A212 PolarHBondContact O-N 2.92Å
208L97.9Very high96.2Very high85 Ų8543 Ų4345%0.44525%0.247SC..Hα-helixtrans-60.9-43.1174.3-70.5173.9000111.5L204 L205 M210 G211 A212L204-L208 HydrophobicContact CD1-CD2 4.47Å; L204-L208 HydrophobicContact CD1-CG 4.18Å; L204-L208 HydrophobicContact CG-CD1 4.16Å; L204-L208 HydrophobicContact CG-CG 4.18Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 3.18Å; L205-L208 PolarHBondContact O-N 3.47Å; L208-M210 PolarHBondContact O-N 2.82Å; L208-G211 PolarHBondContact O-N 3.36Å; L208-A212 HydrophobicContact CD2-CB 4.33Å
209V98.1Very high95.3Very high123 Ų12348.1 Ų48.175%0.74527%0.27SS*.Hα-helixtrans-65.9-27.5174.766.90000112.4L205 S206 A207 G211L205-V209 PolarHBondContact O-N 3.32Å; S206-V209 WeakPolarHBondContact O-CG1 3.25Å; A207-V209 PolarHBondContact O-N 2.93Å; V209-G211 VanDerWaalsContact C-N 3.25Å; V209-G211 PolarHBondContact O-N 3.49Å
210M97.9Very high93.9Very high79 Ų7949 Ų4939%0.38927%0.272SS..THydrogen-bonded Turntrans-79.9-1.5173.6-62.1-58.5-66.400113.8L179 F182 S206 A207 L208L179-M210 HydrophobicContact CB-CG 4.48Å; L179-M210 HydrophobicContact CD1-CG 4.41Å; F182-M210 HydrophobicContact CD1-CB 4.12Å; F182-M210 HydrophobicContact CE1-CB 4.33Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.44Å; S206-M210 PolarHBondContact O-N 3.08Å; A207-M210 CarbonylContact O-C 3.54Å; A207-M210 WeakPolarHBondContact O-CA 3.46Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.18Å; A207-M210 VanDerWaalsContact O-N 3.1Å; L208-M210 PolarHBondContact O-N 2.82Å
211G97.6Very high92.4Very high32 Ų3248.1 Ų48.133%0.3327%0.267SS..THydrogen-bonded Turntrans98.820.2174.400000115.7A207 L208 V209 T213A207-G211 PolarHBondContact O-N 3.3Å; A207-G211 VanDerWaalsContact O-N 3.14Å; L208-G211 PolarHBondContact O-N 3.36Å; V209-G211 VanDerWaalsContact C-N 3.25Å; V209-G211 PolarHBondContact O-N 3.49Å; G211-T213 PolarHBondContact O-N 3.37Å
212A98Very high90.7Very high12 Ų1253.7 Ų53.710%0.09929%0.285CS..  trans-55.6135.717000000111.5F182 F196 F198 A207 L208F182-A212 HydrophobicContact CE1-CB 3.85Å; F182-A212 HydrophobicContact CZ-CB 3.6Å; F196-A212 WeakPolarHBondContact O-CA 3.47Å; F198-A212 HydrophobicContact CB-CB 4.19Å; A207-A212 HydrophobicContact CB-CB 4.09Å; A207-A212 VanDerWaalsContact O-CB 3.3Å; A207-A212 WeakPolarHBondContact O-CB 3.34Å; A207-A212 PolarHBondContact O-N 2.92Å; L208-A212 HydrophobicContact CD2-CB 4.33Å
213T97.6Very high88.8Confident44 Ų4449.7 Ų49.727%0.2727%0.269SS..  trans-93.6-4.1179.362.70000112.8G10 F196 G211G10-T213 PolarHBondContact N-O 3.16Å; F196-T213 HydrophobicContact CD2-CG2 4.47Å; F196-T213 PolarHBondContact N-OG1 3.31Å; F196-T213 PolarHBondContact O-N 3.25Å; F196-T213 PolarHBondContact O-OG1 2.93Å; G211-T213 PolarHBondContact O-N 3.37Å
214G96.9Very high86.7Confident5 Ų547.9 Ų47.95%0.05226%0.261CS..EExtended strand (participates in β ladder)trans175.7-174.5-178.600000111.7G10 L197 F198G10-G214 CarbonylContact O-C 3.51Å; G10-G214 WeakPolarHBondContact O-CA 3.32Å; L197-G214 WeakPolarHBondContact CA-O 3.34Å; F198-G214 PolarHBondContact N-O 3.41Å
215A97.4Very high84.5Confident4 Ų449.9 Ų49.93%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-136.8144.9-179.800000111G10 L11 V12 F198 L204G10-A215 PolarHBondContact O-N 3.27Å; L11-A215 HydrophobicContact CD2-CB 4.16Å; V12-A215 WeakPolarHBondContact CB-O 3.43Å; V12-A215 PolarHBondContact N-O 3.32Å; F198-A215 CarbonylContact O-C 3.59Å; F198-A215 WeakPolarHBondContact O-CA 3.45Å; L204-A215 HydrophobicContact CD1-CB 3.59Å; L204-A215 HydrophobicContact CD2-CB 3.62Å; L204-A215 HydrophobicContact CG-CB 4.26Å
216V97.7Very high82.2Confident2 Ų246.4 Ų46.41%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-126.7110.6170.5-175.80000109.5V12 A14 F47 K173 L197 F198 G199V12-V216 HydrophobicContact CB-CB 4.22Å; V12-V216 HydrophobicContact CB-CG1 4.29Å; V12-V216 HydrophobicContact CB-CG2 3.6Å; V12-V216 HydrophobicContact CG1-CG1 4.3Å; V12-V216 HydrophobicContact CG1-CG2 4.05Å; V12-V216 HydrophobicContact CG2-CG2 3.88Å; V12-V216 VanDerWaalsContact O-CA 3.32Å; V12-V216 WeakPolarHBondContact O-CA 3.38Å; A14-V216 HydrophobicContact CB-CG1 4.41Å; F47-V216 HydrophobicContact CB-CG1 3.66Å; F47-V216 HydrophobicContact CD1-CG1 4.21Å; F47-V216 HydrophobicContact CD2-CG1 4.27Å; F47-V216 HydrophobicContact CG-CG1 3.81Å; K173-V216 HydrophobicContact CD-CB 3.86Å; K173-V216 HydrophobicContact CD-CG1 3.72Å; K173-V216 HydrophobicContact CD-CG2 4.32Å; K173-V216 HydrophobicContact CG-CB 4.03Å; K173-V216 HydrophobicContact CG-CG1 4.44Å; K173-V216 HydrophobicContact CG-CG2 4.27Å; L197-V216 HydrophobicContact CB-CG2 3.67Å; L197-V216 HydrophobicContact CD1-CG2 3.58Å; L197-V216 HydrophobicContact CG-CG2 4.18Å; F198-V216 PolarHBondContact O-N 2.92Å; G199-V216 VanDerWaalsContact CA-O 3.25Å; G199-V216 WeakPolarHBondContact CA-O 3.26Å
217G88.8Confident79.7Confident7 Ų746 Ų467%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-164.3-177.3-177.100000114.7V12 A14 D201V12-G217 PolarHBondContact O-N 2.87Å; A14-G217 WeakPolarHBondContact CB-O 3.28Å; A14-G217 PolarHBondContact N-O 2.89Å; D201-G217 WeakPolarHBondContact OD1-CA 3.35Å; D201-G217 WeakPolarHBondContact OD2-CA 3.44Å
218S84.6Confident77.3Confident21 Ų2151.4 Ų51.415%0.14729%0.285CS..SBendtrans-95.6-23.1-16570.20000113.4D201 V220 S221 R222D201-S218 PolarHBondContact OD2-N 2.84Å; S218-V220 PolarHBondContact O-N 3.29Å; S218-S221 WeakPolarHBondContact O-CA 3.4Å; S218-S221 VanDerWaalsContact O-CB 3.29Å; S218-S221 WeakPolarHBondContact O-CB 3.15Å; S218-S221 PolarHBondContact O-N 3.24Å; S218-R222 WeakPolarHBondContact O-CG 3.24Å; S218-R222 PolarHBondContact O-N 3.12Å; S218-R222 PolarHBondContact OG-NE 3.45Å; S218-R222 PolarHBondContact OG-NH2 3.35Å
219F79.1Confident74.8Confident107 Ų10751.8 Ų51.847%0.46930%0.295SS..G310 helixtrans-61.3-33.8-173.2-84.1-83.1000113.3D201 S221D201-F219 HydrophobicContact CB-CB 4.48Å; D201-F219 HydrophobicContact CB-CD2 3.23Å; D201-F219 HydrophobicContact CB-CE2 3.72Å; D201-F219 HydrophobicContact CB-CG 4.25Å; D201-F219 WeakPolarHBondContact OD2-CD2 3.38Å; D201-F219 PolarHBondContact OD2-N 3.33Å; F219-S221 PolarHBondContact O-N 3.06Å
220V68.5Low72Confident31 Ų3156.2 Ų56.219%0.18831%0.314CS..G310 helixtrans-74.5-8.7177.1-60.50000113.3L11 A13 V43 S218L11-V220 HydrophobicContact CD1-CG1 4.32Å; A13-V220 HydrophobicContact CB-CG2 3.62Å; V43-V220 HydrophobicContact CG2-CB 4.12Å; V43-V220 HydrophobicContact CG2-CG2 4.34Å; S218-V220 PolarHBondContact O-N 3.29Å
221S63.9Low70.7Confident0 Ų055.1 Ų55.10%031%0.311CS..G310 helixtrans-101.4-9.1-177.6-53.80000113.1A14 Y33 S218 F219 D223A14-S221 WeakPolarHBondContact O-CB 3.35Å; A14-S221 PolarHBondContact O-OG 3.12Å; Y33-S221 WeakPolarHBondContact OH-CB 3.46Å; Y33-S221 PolarHBondContact OH-O 3.47Å; S218-S221 WeakPolarHBondContact O-CA 3.4Å; S218-S221 VanDerWaalsContact O-CB 3.29Å; S218-S221 WeakPolarHBondContact O-CB 3.15Å; S218-S221 PolarHBondContact O-N 3.24Å; F219-S221 PolarHBondContact O-N 3.06Å; S221-D223 PolarHBondContact O-N 3.2Å
222R59.3Low69.3Low154 Ų15456.3 Ų56.358%0.58131%0.31SS*.  trans-80-11.5-155.6-91.1179.1-170.9-161.31.2117.9S218 L224S218-R222 WeakPolarHBondContact O-CG 3.24Å; S218-R222 PolarHBondContact O-N 3.12Å; S218-R222 PolarHBondContact OG-NE 3.45Å; S218-R222 PolarHBondContact OG-NH2 3.35Å; R222-L224 PolarHBondContact O-N 3.12Å
223D55Low67.7Low62 Ų6258.7 Ų58.733%0.33232%0.321SS..  trans-105.272.5-178.9-173.422.1000112.3Y36 S221 S225 T226Y36-D223 WeakPolarHBondContact OH-CB 3.31Å; S221-D223 PolarHBondContact O-N 3.2Å; D223-S225 VanDerWaalsContact C-N 3.32Å; D223-S225 PolarHBondContact OD1-N 3.25Å; D223-S225 PolarHBondContact OD1-OG 3.31Å; D223-T226 PolarHBondContact O-OG1 3.48Å
224L51.6Low65.9Low22 Ų2259.6 Ų59.612%0.11532%0.324CS..  trans-82.3-11.4166.8-86143.5000112.7I16 Y33 R222 T226 L227 L228I16-L224 HydrophobicContact CB-CD1 3.82Å; I16-L224 HydrophobicContact CD1-CD1 3.4Å; I16-L224 VanDerWaalsContact CD1-CD1 3.4Å; I16-L224 HydrophobicContact CG1-CD1 4.18Å; I16-L224 HydrophobicContact CG2-CD1 3.88Å; Y33-L224 HydrophobicContact CD1-CD2 3.97Å; Y33-L224 HydrophobicContact CD2-CD2 4.5Å; Y33-L224 HydrophobicContact CE1-CD1 4.01Å; Y33-L224 HydrophobicContact CE1-CD2 4Å; Y33-L224 HydrophobicContact CE1-CG 4.24Å; Y33-L224 HydrophobicContact CE2-CG 4.4Å; Y33-L224 HydrophobicContact CG-CD2 4.25Å; R222-L224 PolarHBondContact O-N 3.12Å; L224-T226 PolarHBondContact O-N 3.35Å; L224-L227 HydrophobicContact CD2-CD1 3.96Å; L224-L227 WeakPolarHBondContact O-CB 3.5Å; L224-L227 PolarHBondContact O-N 3.37Å; L224-L228 PolarHBondContact O-N 3.45Å
225S51.2Low64Low76 Ų7663 Ų6353%0.53134%0.342SS..THydrogen-bonded Turntrans-60.6-34.7-175.973.30000111.4D223 L227 S229D223-S225 VanDerWaalsContact C-N 3.32Å; D223-S225 PolarHBondContact OD1-N 3.25Å; D223-S225 PolarHBondContact OD1-OG 3.31Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.22Å; S225-S229 PolarHBondContact O-OG 2.88Å
226T48.2Very low61.7Low70 Ų7066.9 Ų66.943%0.42936%0.362SS..THydrogen-bonded Turntrans-69.5-24.7174.147.80000113.9D223 L224D223-T226 PolarHBondContact O-OG1 3.48Å; L224-T226 PolarHBondContact O-N 3.35Å
227L47.4Very low59.2Low29 Ų2971.6 Ų71.615%0.15239%0.387CS..THydrogen-bonded Turntrans-86.9-29.2-179.1-71.4168.4000113.4Q32 Y33 Y36 L224 S225 S229Q32-L227 HydrophobicContact CB-CD2 4.08Å; Y33-L227 HydrophobicContact CD2-CD1 3.99Å; Y33-L227 HydrophobicContact CG-CD1 4.26Å; Y36-L227 HydrophobicContact CG-CD1 4.18Å; L224-L227 HydrophobicContact CD2-CD1 3.96Å; L224-L227 WeakPolarHBondContact O-CB 3.5Å; L224-L227 PolarHBondContact O-N 3.37Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.22Å; L227-S229 VanDerWaalsContact C-N 3.33Å
228L47.3Very low56.9Low115 Ų11576.5 Ų76.560%0.60241%0.411SS*.SBendtrans-892-179.7-63.1172.4000113.5L224L224-L228 PolarHBondContact O-N 3.45Å
229S44.4Very low54.6Low93 Ų9381.2 Ų81.265%0.6543%0.433SS*.  trans-92.49.8-174.4-64.10000114.9S225 L227S225-S229 PolarHBondContact O-OG 2.88Å; L227-S229 VanDerWaalsContact C-N 3.33Å
230N38.8Very low52.3Low215 Ų21578.8 Ų78.8100%1.1543%0.43SS*.  trans-113.10179.7-73.3-30.8000112.5

Retrieved 230 of 230 residues in 707.2 ms (Link to these results)

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