A0A096N1E5_PAPAN Loading...

Acetyl-CoA acetyltransferase 2

AlphaFold DB , UniProt , Accession A0A096N1E5, Species PAPAN (Papio anubis, Olive baboon), Gene ACAT2, Length 397 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
1M39.3Very low77.7Confident240 Ų24071.8 Ų71.8100%1.18245%0.446SS*.  0112.40-67.3177.6-134.500105.4
2N38Very low79.5Confident162 Ų16266.2 Ų66.287%0.86641%0.411SS*.  trans-51.7141.5174-81.7-17.2000108.7G4N2-G4 PolarHBondContact O-N 3.08Å
3A46.6Very low81Confident94 Ų9461.2 Ų61.278%0.77738%0.38SS*.  trans-43.5109.7167.200000107.7
4G60.6Low82.3Confident45 Ų4556.9 Ų56.946%0.46435%0.353SS..  trans-61.5144.7-167.100000109.5N2 D6 P7N2-G4 PolarHBondContact O-N 3.08Å; G4-D6 PolarHBondContact O-N 3.06Å; G4-P7 WeakPolarHBondContact O-CD 3.49Å
5S83.7Confident83.4Confident138 Ų13853.1 Ų53.197%0.96533%0.33SS*.SBendtrans-54.6-11.1177.755.30000114.4
6D95.3Very high84.3Confident52 Ų5249.9 Ų49.928%0.27831%0.31SS..SBendtrans-143.882177.3-171.416000110.6G4 K265 K266 S267G4-D6 PolarHBondContact O-N 3.06Å; D6-K265 WeakPolarHBondContact OD2-CD 3.31Å; D6-K266 PolarHBondContact OD1-N 2.85Å; D6-S267 VanDerWaalsContact CG-OG 3.24Å; D6-S267 WeakPolarHBondContact OD1-CB 3.28Å; D6-S267 PolarHBondContact OD1-N 3.24Å; D6-S267 PolarHBondContact OD1-OG 3.49Å; D6-S267 VanDerWaalsContact OD2-CB 3.31Å; D6-S267 WeakPolarHBondContact OD2-CB 3.47Å; D6-S267 PolarHBondContact OD2-OG 3.32Å
7P96.7Very high85.2Confident25 Ų2546.9 Ų46.916%0.16229%0.291CS..  trans-72.7163.3-174.130.1-34.8000112.5G4 K265 K266 Q279G4-P7 WeakPolarHBondContact O-CD 3.49Å; P7-K265 CarbonylContact O-C 3.54Å; P7-K266 HydrophobicContact CG-CB 4.09Å; P7-K266 HydrophobicContact CG-CD 4.38Å; P7-K266 PolarHBondContact O-N 3.48Å; P7-Q279 HydrophobicContact CB-CB 4.46Å; P7-Q279 HydrophobicContact CG-CB 4.42Å
8V98.5Very high85.9Confident15 Ų1544.5 Ų44.59%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-79.3131.6168.6-177.70000109A103 I106 L263 M264 I280V8-A103 HydrophobicContact CB-CB 4.42Å; V8-A103 HydrophobicContact CG1-CB 4.23Å; V8-A103 HydrophobicContact CG2-CB 4.39Å; V8-I106 HydrophobicContact CG1-CD1 4.11Å; V8-I106 HydrophobicContact CG1-CG2 4.44Å; V8-I106 HydrophobicContact CG2-CB 4.09Å; V8-I106 HydrophobicContact CG2-CG2 3.77Å; V8-L263 HydrophobicContact CG1-CB 4.14Å; V8-L263 HydrophobicContact CG1-CD2 3.86Å; V8-M264 WeakPolarHBondContact CA-O 3.5Å; V8-I280 HydrophobicContact CG1-CD1 4.27Å; V8-I280 PolarHBondContact O-N 2.62Å
9V98.8Very high86.6Confident4 Ų442.2 Ų42.22%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-121.5152.2-177.3-57.40000111.5L263 M264 K266 A269 P276 A278 Q279V9-L263 VanDerWaalsContact O-CA 3.32Å; V9-L263 WeakPolarHBondContact O-CA 3.31Å; V9-M264 HydrophobicContact CG2-CG 4.15Å; V9-M264 WeakPolarHBondContact CG2-O 3.25Å; V9-M264 PolarHBondContact N-O 3.32Å; V9-M264 PolarHBondContact O-N 2.99Å; V9-M264 VanDerWaalsContact O-N 3.17Å; V9-K266 HydrophobicContact CG1-CB 3.78Å; V9-K266 HydrophobicContact CG1-CG 4.12Å; V9-A269 HydrophobicContact CG2-CB 3.9Å; V9-P276 HydrophobicContact CB-CB 3.75Å; V9-P276 HydrophobicContact CB-CG 3.9Å; V9-P276 HydrophobicContact CG1-CB 4.36Å; V9-P276 HydrophobicContact CG1-CG 4.21Å; V9-P276 HydrophobicContact CG2-CB 3.99Å; V9-P276 HydrophobicContact CG2-CG 3.75Å; V9-A278 WeakPolarHBondContact CA-O 3.44Å; V9-Q279 HydrophobicContact CG1-CB 4.12Å
10I98.9Very high87.2Confident0 Ų041.3 Ų41.30%026%0.257CS..EExtended strand (participates in β ladder)trans-103.1116.7173.8-60.3169.1000107.6S12 V261 V262 L263 P276 L277 A278 I280 L363 L367I10-S12 WeakPolarHBondContact CG2-O 3.17Å; I10-V261 HydrophobicContact CG2-CB 3.93Å; I10-V261 HydrophobicContact CG2-CG1 4Å; I10-V262 WeakPolarHBondContact CA-O 3.45Å; I10-L263 HydrophobicContact CG1-CG 4.38Å; I10-P276 CarbonylContact O-C 3.53Å; I10-L277 PolarHBondContact O-N 3.42Å; I10-A278 PolarHBondContact N-O 3.48Å; I10-A278 PolarHBondContact O-N 3.06Å; I10-I280 HydrophobicContact CD1-CD1 4.18Å; I10-I280 HydrophobicContact CD1-CG1 4Å; I10-I280 HydrophobicContact CG1-CD1 4.16Å; I10-I280 HydrophobicContact CG1-CG1 4.13Å; I10-L363 HydrophobicContact CD1-CD2 4.04Å; I10-L367 HydrophobicContact CB-CD1 4.42Å; I10-L367 HydrophobicContact CD1-CD1 3.95Å; I10-L367 HydrophobicContact CD1-CD2 4.39Å; I10-L367 HydrophobicContact CG2-CD1 3.79Å
11V98.6Very high87.8Confident15 Ų1543.4 Ų43.49%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-98.4-21.1-177-97.10000113.7V262 M264 A269 L274 P276V11-V262 HydrophobicContact CG2-CB 4.08Å; V11-V262 HydrophobicContact CG2-CG1 3.82Å; V11-V262 WeakPolarHBondContact CG2-O 3.21Å; V11-V262 PolarHBondContact N-O 3.09Å; V11-M264 HydrophobicContact CG1-SD 4.47Å; V11-M264 HydrophobicContact CG2-CE 3.55Å; V11-M264 HydrophobicContact CG2-CG 4.11Å; V11-M264 HydrophobicContact CG2-SD 3.97Å; V11-A269 HydrophobicContact CG1-CB 4.1Å; V11-L274 HydrophobicContact CG1-CB 3.73Å; V11-L274 HydrophobicContact CG1-CD1 4.18Å; V11-P276 HydrophobicContact CG1-CB 4.18Å; V11-P276 HydrophobicContact CG1-CG 4.23Å
12S98.8Very high90.6Very high4 Ų437.1 Ų37.13%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-150.6147.9177.2176.70000110.3I10 V41 R44 V261 V262I10-S12 WeakPolarHBondContact CG2-O 3.17Å; S12-V41 VanDerWaalsContact CB-O 3.27Å; S12-V41 WeakPolarHBondContact CB-O 3.48Å; S12-V41 WeakPolarHBondContact OG-CA 3.39Å; S12-V41 PolarHBondContact OG-O 2.96Å; S12-R44 VanDerWaalsContact OG-CB 3.24Å; S12-R44 WeakPolarHBondContact OG-CB 3.34Å; S12-V261 CarbonylContact O-C 3.57Å; S12-V261 WeakPolarHBondContact O-CA 3.42Å; S12-V262 PolarHBondContact O-N 2.97Å
13A98.9Very high93.4Very high2 Ų230.7 Ų30.72%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-147127.1-179.100000109.4R44 A260 V261 L277 V364 L367 H368A13-R44 PolarHBondContact O-NH1 2.95Å; A13-A260 WeakPolarHBondContact CA-O 3.33Å; A13-V261 HydrophobicContact CB-CG1 3.88Å; A13-L277 HydrophobicContact CB-CD1 3.66Å; A13-V364 HydrophobicContact CB-CB 4.45Å; A13-V364 HydrophobicContact CB-CG1 4.25Å; A13-V364 HydrophobicContact CB-CG2 4.11Å; A13-L367 HydrophobicContact CB-CD1 3.82Å; A13-H368 PolarHBondContact O-NE2 3.42Å
14A98.9Very high95.9Very high0 Ų027.5 Ų27.50%018%0.18CC..EExtended strand (participates in β ladder)trans-148.7155.5176.100000110.9E40 V41 E201 A259 A260A14-E40 HydrophobicContact CB-CG 4.23Å; A14-V41 HydrophobicContact CB-CG1 3.54Å; A14-E201 CarbonylContact C-O 3.57Å; A14-E201 WeakPolarHBondContact CA-O 3.39Å; A14-A259 WeakPolarHBondContact O-CA 3.34Å; A14-A260 PolarHBondContact N-O 2.94Å; A14-A260 PolarHBondContact O-N 3.18Å
15R98.9Very high97.7Very high1 Ų125.3 Ų25.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-137.8155.5174.461.7170-173.692.1-8.6110.7E201 I202 V203 D219 A258 A259 V364R15-E201 HydrophobicContact CG-CG 4.29Å; R15-E201 IonicContact CZ-OE1 2.78Å; R15-E201 PolarHBondContact N-O 3.5Å; R15-E201 IonicContact NE-OE1 3.19Å; R15-E201 PolarHBondContact NE-OE1 3.3Å; R15-E201 IonicContact NH2-OE1 3.96Å; R15-E201 PolarHBondContact NH2-OE1 2.93Å; R15-I202 CarbonylContact O-C 3.46Å; R15-I202 VanDerWaalsContact O-CA 3.26Å; R15-I202 WeakPolarHBondContact O-CA 3.28Å; R15-V203 WeakPolarHBondContact O-CG1 3.18Å; R15-V203 PolarHBondContact O-N 2.92Å; R15-D219 IonicContact CZ-OD1 2.75Å; R15-D219 IonicContact CZ-OD2 3.25Å; R15-D219 IonicContact NH1-OD1 3.63Å; R15-D219 PolarHBondContact NH1-OD1 3.14Å; R15-D219 IonicContact NH1-OD2 3.08Å; R15-D219 PolarHBondContact NH1-OD2 2.83Å; R15-D219 IonicContact NH2-OD1 3.79Å; R15-D219 IonicContact NH2-OD2 3.95Å; R15-D219 PolarHBondContact NH2-OD2 3.23Å; R15-A258 CarbonylContact C-O 3.52Å; R15-A258 VanDerWaalsContact CA-O 3.31Å; R15-A258 WeakPolarHBondContact CA-O 3.35Å; R15-A259 HydrophobicContact CB-CB 3.86Å; R15-V364 HydrophobicContact CB-CG1 4.33Å; R15-V364 HydrophobicContact CG-CG1 4.15Å
16T98.9Very high98.4Very high1 Ų119.6 Ų19.61%0.00612%0.119CC..  trans-67.9173161.265.20000109.4L33 V37 V203 V205 G257 A258T16-L33 HydrophobicContact CG2-CD2 4.4Å; T16-V37 HydrophobicContact CG2-CG1 3.68Å; T16-V203 HydrophobicContact CG2-CG1 4.39Å; T16-V205 HydrophobicContact CG2-CG2 3.53Å; T16-G257 WeakPolarHBondContact OG1-CA 3.44Å; T16-A258 HydrophobicContact CG2-CB 4.26Å; T16-A258 PolarHBondContact N-O 3.5Å; T16-A258 PolarHBondContact OG1-N 2.77Å; T16-A258 PolarHBondContact OG1-O 3.24Å
17I98.8Very high98.5Very high0 Ų021.3 Ų21.30%013%0.131CC..  trans-58.7160.4155.565.4103000110.5L25 I202 V216 D219I17-L25 HydrophobicContact CD1-CD1 3.63Å; I17-L25 HydrophobicContact CD1-CD2 3.89Å; I17-L25 HydrophobicContact CD1-CG 3.62Å; I17-L25 HydrophobicContact CG1-CD1 4.04Å; I17-L25 HydrophobicContact CG1-CD2 4.16Å; I17-L25 HydrophobicContact CG1-CG 4.3Å; I17-I202 HydrophobicContact CG2-CD1 4.28Å; I17-I202 HydrophobicContact CG2-CG2 3.69Å; I17-V216 HydrophobicContact CD1-CG1 3.73Å; I17-V216 HydrophobicContact CG1-CG1 3.82Å; I17-D219 WeakPolarHBondContact CA-OD1 3.26Å
18I98.9Very high98.6Very high3 Ų320.7 Ų20.72%0.01513%0.127CC..  trans-97.7115.2168.5-55.2-179.5000108.5D219 E220 N255 D256 L351 P354 R361I18-D219 PolarHBondContact N-OD1 3.13Å; I18-E220 PolarHBondContact O-N 3.24Å; I18-E220 VanDerWaalsContact O-N 3.07Å; I18-N255 HydrophobicContact CG2-CB 3.58Å; I18-D256 WeakPolarHBondContact CA-O 3.37Å; I18-L351 VanDerWaalsContact CB-O 3.31Å; I18-L351 WeakPolarHBondContact CB-O 3.42Å; I18-L351 HydrophobicContact CD1-CB 4.1Å; I18-L351 WeakPolarHBondContact CG2-O 3.4Å; I18-P354 HydrophobicContact CG2-CG 4.3Å; I18-R361 HydrophobicContact CD1-CG 4.01Å
19G98.8Very high98.6Very high0 Ų022 Ų220%014%0.135CC..EExtended strand (participates in β ladder)trans-82.2146177.500000110.8N255 D256G19-N255 VanDerWaalsContact O-CA 3.29Å; G19-N255 WeakPolarHBondContact O-CA 3.48Å; G19-N255 VanDerWaalsContact O-CB 3.29Å; G19-N255 WeakPolarHBondContact O-CB 3.29Å; G19-N255 PolarHBondContact O-ND2 2.64Å; G19-D256 PolarHBondContact N-O 3.41Å; G19-D256 PolarHBondContact O-N 3.11Å; G19-D256 VanDerWaalsContact O-N 3.08Å
20S98.8Very high98.6Very high25 Ų2522 Ų2218%0.17514%0.135CC..EExtended strand (participates in β ladder)trans-71.3155.5169.5-66.50000110.5N22 G23 E220 F221S20-N22 PolarHBondContact O-N 3.26Å; S20-G23 WeakPolarHBondContact O-CA 3.36Å; S20-G23 PolarHBondContact O-N 3.42Å; S20-E220 WeakPolarHBondContact CB-OE2 3.4Å; S20-E220 PolarHBondContact N-OE2 3.27Å; S20-F221 WeakPolarHBondContact OG-CA 3.3Å
21F98.8Very high98.6Very high86 Ų8623.5 Ų23.538%0.37714%0.142SC..THydrogen-bonded Turntrans-55.4127.4173.8-172.8-134.2000111.4G23 I146 I254F21-G23 PolarHBondContact O-N 3.05Å; F21-I146 HydrophobicContact CE2-CD1 3.63Å; F21-I146 HydrophobicContact CZ-CD1 3.81Å; F21-I254 HydrophobicContact CB-CB 4.03Å; F21-I254 HydrophobicContact CB-CG2 3.92Å; F21-I254 WeakPolarHBondContact CB-O 3.37Å; F21-I254 HydrophobicContact CD1-CG2 4.4Å; F21-I254 HydrophobicContact CD2-CB 4.28Å; F21-I254 HydrophobicContact CD2-CG2 3.32Å; F21-I254 HydrophobicContact CE2-CG2 3.82Å; F21-I254 HydrophobicContact CG-CB 4.11Å; F21-I254 HydrophobicContact CG-CG2 3.66Å; F21-I254 PolarHBondContact N-O 2.83Å; F21-I254 VanDerWaalsContact N-O 3.15Å
22N98.5Very high98.6Very high107 Ų10726.3 Ų26.357%0.57216%0.157SC*.THydrogen-bonded Turntrans57.223.4-172.5-57.5-55000114.4S20 S123S20-N22 PolarHBondContact O-N 3.26Å; N22-S123 PolarHBondContact N-OG 2.71Å
23G97.8Very high98.6Very high27 Ų2726.1 Ų26.128%0.27816%0.156SC..SBendtrans-100.6-140.9-178.100000113.8S20 F21 L25 A26S20-G23 WeakPolarHBondContact O-CA 3.36Å; S20-G23 PolarHBondContact O-N 3.42Å; F21-G23 PolarHBondContact O-N 3.05Å; G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.12Å; G23-L25 VanDerWaalsContact O-N 3.13Å; G23-A26 WeakPolarHBondContact O-CB 3.43Å; G23-A26 PolarHBondContact O-N 3.48Å; G23-A26 VanDerWaalsContact O-N 3.14Å
24A97.8Very high98.6Very high27 Ų2726 Ų2622%0.22316%0.155CC..THydrogen-bonded Turntrans-58.4-31-166.600000114.9V216 E220A24-V216 HydrophobicContact CB-CG1 3.94Å; A24-V216 HydrophobicContact CB-CG2 4.46Å; A24-E220 WeakPolarHBondContact CB-OE2 3.28Å; A24-E220 PolarHBondContact N-OE1 2.85Å; A24-E220 PolarHBondContact N-OE2 2.84Å
25L98.5Very high98.6Very high0 Ų026.7 Ų26.70%016%0.159CC..THydrogen-bonded Turntrans-103.4-0.2-177.6-57.7-175.8000114I17 G23 T27 V28 L33 N121 V205 V207 D256I17-L25 HydrophobicContact CD1-CD1 3.63Å; I17-L25 HydrophobicContact CD1-CD2 3.89Å; I17-L25 HydrophobicContact CD1-CG 3.62Å; I17-L25 HydrophobicContact CG1-CD1 4.04Å; I17-L25 HydrophobicContact CG1-CD2 4.16Å; I17-L25 HydrophobicContact CG1-CG 4.3Å; G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.12Å; G23-L25 VanDerWaalsContact O-N 3.13Å; L25-T27 PolarHBondContact O-N 3.16Å; L25-V28 PolarHBondContact O-N 2.81Å; L25-L33 HydrophobicContact CD1-CD1 4.45Å; L25-L33 HydrophobicContact CD1-CD2 4.06Å; L25-L33 HydrophobicContact CD2-CD2 4.25Å; L25-N121 PolarHBondContact O-ND2 3.36Å; L25-V205 HydrophobicContact CD2-CB 4.07Å; L25-V205 HydrophobicContact CD2-CG1 4.05Å; L25-V205 HydrophobicContact CD2-CG2 4.3Å; L25-V207 HydrophobicContact CD2-CG2 4.3Å; L25-D256 HydrophobicContact CB-CB 3.85Å; L25-D256 HydrophobicContact CD1-CB 4.27Å
26A98.1Very high98.6Very high18 Ų1828.4 Ų28.415%0.14917%0.17CC..THydrogen-bonded Turntrans-61.4-23.3-17200000114G23 K124G23-A26 WeakPolarHBondContact O-CB 3.43Å; G23-A26 PolarHBondContact O-N 3.48Å; G23-A26 VanDerWaalsContact O-N 3.14Å; A26-K124 WeakPolarHBondContact O-CE 3.31Å; A26-K124 WeakPolarHBondContact O-CG 3.48Å; A26-K124 PolarHBondContact O-NZ 3.12Å; A26-K124 VanDerWaalsContact O-NZ 3.13Å
27T97.4Very high98.6Very high88 Ų8828.4 Ų28.454%0.5417%0.17SC..THydrogen-bonded Turntrans-87.8-16.8177.860.50000113.5L25 P29 K124 V207L25-T27 PolarHBondContact O-N 3.16Å; T27-P29 WeakPolarHBondContact O-CD 3.39Å; T27-K124 WeakPolarHBondContact O-CE 3.47Å; T27-K124 PolarHBondContact O-NZ 2.95Å; T27-V207 WeakPolarHBondContact OG1-CG1 3.43Å
28V98.5Very high98.6Very high11 Ų1128.4 Ų28.47%0.06717%0.17CC..SBendtrans-85.3120.2-175.7-1720000110.3L25 D32 L33 N121 K124 V205 V207L25-V28 PolarHBondContact O-N 2.81Å; V28-D32 HydrophobicContact CG1-CB 3.86Å; V28-L33 HydrophobicContact CB-CD2 4Å; V28-L33 HydrophobicContact CB-CG 4.36Å; V28-L33 HydrophobicContact CG1-CD2 3.6Å; V28-L33 HydrophobicContact CG1-CG 3.9Å; V28-N121 PolarHBondContact O-ND2 2.63Å; V28-K124 VanDerWaalsContact C-CE 3.48Å; V28-K124 WeakPolarHBondContact O-CE 3.27Å; V28-V205 HydrophobicContact CG1-CG1 4.3Å; V28-V205 HydrophobicContact CG2-CG1 4.17Å; V28-V207 HydrophobicContact CG2-CB 4.43Å; V28-V207 HydrophobicContact CG2-CG1 4.26Å; V28-V207 HydrophobicContact CG2-CG2 3.77Å
29P98.6Very high98.6Very high42 Ų4234.9 Ų34.927%0.27320%0.198SC..  trans-54.1145.3173-25.134.5000112.7T27 Q31 D32 L33T27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-Q31 VanDerWaalsContact C-N 3.26Å; P29-Q31 HydrophobicContact CB-CG 4.3Å; P29-Q31 PolarHBondContact O-N 3.35Å; P29-D32 HydrophobicContact CB-CB 4.43Å; P29-D32 VanDerWaalsContact CD-OD2 3.3Å; P29-D32 WeakPolarHBondContact CD-OD2 3.29Å; P29-D32 WeakPolarHBondContact CG-OD2 3.28Å; P29-D32 WeakPolarHBondContact O-CB 3.42Å; P29-D32 PolarHBondContact O-N 2.72Å; P29-L33 PolarHBondContact O-N 3.2Å
30V98.9Very high98.6Very high4 Ų436.5 Ų36.52%0.02421%0.206CC..Hα-helixtrans-60.3-37.1-176.665.50000112.4D32 L33 G34 C65 M119 N121V30-D32 VanDerWaalsContact C-N 3.26Å; V30-D32 PolarHBondContact O-N 3Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 2.98Å; V30-G34 PolarHBondContact O-N 3.39Å; V30-C65 HydrophobicContact CG1-CB 4.34Å; V30-M119 HydrophobicContact CG2-CB 3.8Å; V30-M119 HydrophobicContact CG2-CG 3.71Å; V30-M119 HydrophobicContact CG2-SD 4.24Å; V30-N121 HydrophobicContact CB-CB 3.97Å; V30-N121 HydrophobicContact CG2-CB 4.41Å
31Q98.8Very high98.6Very high32 Ų3235.3 Ų35.315%0.1520%0.197CC..Hα-helixtrans-66.6-25.3176.260.8-89.946.200113.1P29 S35 Q72 A73P29-Q31 VanDerWaalsContact C-N 3.26Å; P29-Q31 HydrophobicContact CB-CG 4.3Å; P29-Q31 PolarHBondContact O-N 3.35Å; Q31-S35 WeakPolarHBondContact O-CB 3.49Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.14Å; Q31-Q72 HydrophobicContact CB-CB 3.84Å; Q31-Q72 HydrophobicContact CG-CB 4.01Å; Q31-A73 HydrophobicContact CB-CB 4.26Å; Q31-A73 WeakPolarHBondContact O-CA 3.47Å; Q31-A73 WeakPolarHBondContact O-CB 3.4Å
32D98.9Very high98.6Very high75 Ų7531.5 Ų31.540%0.40118%0.181SC..Hα-helixtrans-80-34.7176.9-64.2-7000110.7V28 P29 V30 S35 T36V28-D32 HydrophobicContact CG1-CB 3.86Å; P29-D32 HydrophobicContact CB-CB 4.43Å; P29-D32 VanDerWaalsContact CD-OD2 3.3Å; P29-D32 WeakPolarHBondContact CD-OD2 3.29Å; P29-D32 WeakPolarHBondContact CG-OD2 3.28Å; P29-D32 WeakPolarHBondContact O-CB 3.42Å; P29-D32 PolarHBondContact O-N 2.72Å; V30-D32 VanDerWaalsContact C-N 3.26Å; V30-D32 PolarHBondContact O-N 3Å; D32-S35 PolarHBondContact O-N 3.39Å; D32-T36 WeakPolarHBondContact O-CB 3.5Å; D32-T36 PolarHBondContact O-N 3.08Å; D32-T36 PolarHBondContact O-OG1 2.79Å
33L98.9Very high98.6Very high0 Ų033.4 Ų33.40%018%0.184CC..Hα-helixtrans-61-47167.6-59.7177.2000110.3T16 L25 V28 P29 V30 T36 V37 N121 V205 A258T16-L33 HydrophobicContact CG2-CD2 4.4Å; L25-L33 HydrophobicContact CD1-CD1 4.45Å; L25-L33 HydrophobicContact CD1-CD2 4.06Å; L25-L33 HydrophobicContact CD2-CD2 4.25Å; V28-L33 HydrophobicContact CB-CD2 4Å; V28-L33 HydrophobicContact CB-CG 4.36Å; V28-L33 HydrophobicContact CG1-CD2 3.6Å; V28-L33 HydrophobicContact CG1-CG 3.9Å; P29-L33 PolarHBondContact O-N 3.2Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 2.98Å; L33-T36 WeakPolarHBondContact O-CB 3.38Å; L33-T36 PolarHBondContact O-N 2.65Å; L33-V37 PolarHBondContact O-N 3.3Å; L33-N121 HydrophobicContact CD1-CB 4.42Å; L33-V205 HydrophobicContact CD2-CG1 3.96Å; L33-V205 HydrophobicContact CD2-CG2 4.17Å; L33-A258 HydrophobicContact CB-CB 3.85Å
34G98.9Very high98.7Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-58.4-47.517400000112.8V30 T36 V37 I38V30-G34 PolarHBondContact O-N 3.39Å; G34-T36 PolarHBondContact O-N 3.3Å; G34-V37 VanDerWaalsContact O-CG2 3.22Å; G34-V37 WeakPolarHBondContact O-CG2 3.31Å; G34-V37 PolarHBondContact O-N 3.41Å; G34-I38 WeakPolarHBondContact O-CB 3.31Å; G34-I38 WeakPolarHBondContact O-CD1 3.36Å; G34-I38 WeakPolarHBondContact O-CG1 3.38Å; G34-I38 PolarHBondContact O-N 3.32Å
35S98.9Very high98.7Very high13 Ų1334.9 Ų34.99%0.09118%0.176CC..Hα-helixtrans-57.5-40.9178.4-61.80000111.8Q31 D32 K39 A73 G76 A77Q31-S35 WeakPolarHBondContact O-CB 3.49Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.14Å; D32-S35 PolarHBondContact O-N 3.39Å; S35-K39 VanDerWaalsContact O-CB 3.27Å; S35-K39 WeakPolarHBondContact O-CB 3.07Å; S35-K39 PolarHBondContact O-N 2.73Å; S35-A73 WeakPolarHBondContact OG-CA 3.29Å; S35-A73 PolarHBondContact OG-O 3.31Å; S35-A73 VanDerWaalsContact OG-O 3.07Å; S35-G76 WeakPolarHBondContact OG-CA 3.44Å; S35-A77 WeakPolarHBondContact O-CB 3.39Å
36T98.9Very high98.7Very high38 Ų3840 Ų4023%0.23321%0.207CC..Hα-helixtrans-61.7-50.4-179.4-59.50000111.1D32 L33 G34 E40 V203 V205D32-T36 WeakPolarHBondContact O-CB 3.5Å; D32-T36 PolarHBondContact O-N 3.08Å; D32-T36 PolarHBondContact O-OG1 2.79Å; L33-T36 WeakPolarHBondContact O-CB 3.38Å; L33-T36 PolarHBondContact O-N 2.65Å; G34-T36 PolarHBondContact O-N 3.3Å; T36-E40 WeakPolarHBondContact O-CB 3.37Å; T36-E40 PolarHBondContact O-N 3.03Å; T36-E40 VanDerWaalsContact O-N 3.14Å; T36-V203 HydrophobicContact CG2-CG1 3.84Å; T36-V203 HydrophobicContact CG2-CG2 3.92Å; T36-V205 HydrophobicContact CG2-CG2 4.46Å
37V98.9Very high98.7Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-70.8-38180-66.40000112.5T16 L33 G34 E40 V41 F57 V203 A258 A260T16-V37 HydrophobicContact CG2-CG1 3.68Å; L33-V37 PolarHBondContact O-N 3.3Å; G34-V37 VanDerWaalsContact O-CG2 3.22Å; G34-V37 WeakPolarHBondContact O-CG2 3.31Å; G34-V37 PolarHBondContact O-N 3.41Å; V37-E40 PolarHBondContact O-N 3.2Å; V37-V41 WeakPolarHBondContact O-CG1 3.47Å; V37-V41 WeakPolarHBondContact O-CG2 3.32Å; V37-V41 PolarHBondContact O-N 3.33Å; V37-F57 HydrophobicContact CG2-CE1 4.2Å; V37-F57 HydrophobicContact CG2-CZ 4.33Å; V37-V203 HydrophobicContact CG1-CG1 3.75Å; V37-A258 HydrophobicContact CG1-CB 4.21Å; V37-A258 HydrophobicContact CG2-CB 3.79Å; V37-A260 HydrophobicContact CB-CB 3.85Å; V37-A260 HydrophobicContact CG2-CB 3.74Å
38I98.9Very high98.8Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-60.5-49.8177.3-69.2167000110.1G34 E40 V41 L42 V55 F57 A73 A77 I79 V115G34-I38 WeakPolarHBondContact O-CB 3.31Å; G34-I38 WeakPolarHBondContact O-CD1 3.36Å; G34-I38 WeakPolarHBondContact O-CG1 3.38Å; G34-I38 PolarHBondContact O-N 3.32Å; I38-E40 VanDerWaalsContact C-N 3.3Å; I38-E40 PolarHBondContact O-N 3.22Å; I38-V41 WeakPolarHBondContact O-CG2 3.44Å; I38-V41 PolarHBondContact O-N 3.11Å; I38-L42 HydrophobicContact CG2-CD1 4.09Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 2.96Å; I38-V55 HydrophobicContact CD1-CG1 4.09Å; I38-F57 HydrophobicContact CD1-CE1 4.45Å; I38-F57 HydrophobicContact CD1-CE2 3.89Å; I38-F57 HydrophobicContact CD1-CZ 3.81Å; I38-F57 HydrophobicContact CG1-CE1 4.33Å; I38-F57 HydrophobicContact CG1-CE2 3.76Å; I38-F57 HydrophobicContact CG1-CZ 3.44Å; I38-F57 VanDerWaalsContact CG1-CZ 3.44Å; I38-A73 HydrophobicContact CD1-CB 3.97Å; I38-A77 HydrophobicContact CB-CB 3.68Å; I38-A77 HydrophobicContact CG2-CB 3.37Å; I38-I79 HydrophobicContact CG2-CD1 3.55Å; I38-I79 HydrophobicContact CG2-CG1 4.34Å; I38-V115 HydrophobicContact CB-CG1 4.5Å; I38-V115 HydrophobicContact CG1-CG1 4.08Å; I38-V115 HydrophobicContact CG2-CG1 4.26Å
39K98.9Very high98.8Very high139 Ų13939.5 Ų39.560%0.60420%0.203SC*.Hα-helixtrans-60-43.1179.5-177174.1-179.4175.60111.5S35 K43 A77S35-K39 VanDerWaalsContact O-CB 3.27Å; S35-K39 WeakPolarHBondContact O-CB 3.07Å; S35-K39 PolarHBondContact O-N 2.73Å; K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 2.84Å; K39-K43 VanDerWaalsContact O-N 3.07Å; K39-A77 HydrophobicContact CB-CB 4.14Å
40E98.9Very high98.8Very high35 Ų3543.3 Ų43.316%0.16422%0.217CC..Hα-helixtrans-69.4-42.5-178.5-177.665.2-169.700112.5A14 T36 V37 I38 L42 K43 R44 V203A14-E40 HydrophobicContact CB-CG 4.23Å; T36-E40 WeakPolarHBondContact O-CB 3.37Å; T36-E40 PolarHBondContact O-N 3.03Å; T36-E40 VanDerWaalsContact O-N 3.14Å; V37-E40 PolarHBondContact O-N 3.2Å; I38-E40 VanDerWaalsContact C-N 3.3Å; I38-E40 PolarHBondContact O-N 3.22Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.45Å; E40-K43 WeakPolarHBondContact O-CB 3.48Å; E40-K43 PolarHBondContact O-N 3.07Å; E40-K43 IonicContact OE2-NZ 3.44Å; E40-R44 HydrophobicContact CG-CG 4.34Å; E40-R44 VanDerWaalsContact CG-NE 3.32Å; E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 VanDerWaalsContact O-CG 3.32Å; E40-R44 WeakPolarHBondContact O-CG 3.31Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 IonicContact OE1-CZ 3.32Å; E40-R44 IonicContact OE1-NE 2.8Å; E40-R44 PolarHBondContact OE1-NE 3.11Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.86Å; E40-V203 HydrophobicContact CB-CB 4.13Å; E40-V203 HydrophobicContact CB-CG1 4.48Å; E40-V203 HydrophobicContact CB-CG2 3.77Å; E40-V203 HydrophobicContact CG-CB 3.89Å; E40-V203 HydrophobicContact CG-CG2 3.72Å
41V98.9Very high98.8Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-67.9-35.5-179.2-63.40000112.4S12 A14 V37 I38 R44 A45 V115 A260 V262S12-V41 VanDerWaalsContact CB-O 3.27Å; S12-V41 WeakPolarHBondContact CB-O 3.48Å; S12-V41 WeakPolarHBondContact OG-CA 3.39Å; S12-V41 PolarHBondContact OG-O 2.96Å; A14-V41 HydrophobicContact CB-CG1 3.54Å; V37-V41 WeakPolarHBondContact O-CG1 3.47Å; V37-V41 WeakPolarHBondContact O-CG2 3.32Å; V37-V41 PolarHBondContact O-N 3.33Å; I38-V41 WeakPolarHBondContact O-CG2 3.44Å; I38-V41 PolarHBondContact O-N 3.11Å; V41-R44 PolarHBondContact O-N 2.93Å; V41-A45 VanDerWaalsContact O-CB 3.27Å; V41-A45 WeakPolarHBondContact O-CB 3.41Å; V41-A45 PolarHBondContact O-N 2.59Å; V41-V115 HydrophobicContact CG2-CG1 3.98Å; V41-A260 HydrophobicContact CG1-CB 3.96Å; V41-A260 WeakPolarHBondContact CG1-O 3.37Å; V41-A260 HydrophobicContact CG2-CB 3.93Å; V41-V262 HydrophobicContact CB-CG2 3.85Å; V41-V262 HydrophobicContact CG2-CG2 3.61Å
42L98.9Very high98.8Very high5 Ų544.6 Ų44.63%0.02623%0.225CC..Hα-helixtrans-63.7-46.2172.6-72.7174.6000111.5I38 E40 R44 A45 T46 V47 V52 I79 V115 V262I38-L42 HydrophobicContact CG2-CD1 4.09Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 2.96Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.45Å; L42-R44 PolarHBondContact O-N 3.22Å; L42-A45 CarbonylContact O-C 3.6Å; L42-A45 PolarHBondContact O-N 3.27Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-V47 HydrophobicContact CD2-CB 4.06Å; L42-V47 HydrophobicContact CD2-CG1 3.91Å; L42-V47 PolarHBondContact O-N 3.44Å; L42-V52 HydrophobicContact CD1-CG2 4.27Å; L42-V52 HydrophobicContact CD2-CG2 3.64Å; L42-I79 HydrophobicContact CD1-CD1 4.03Å; L42-I79 HydrophobicContact CD1-CG1 3.98Å; L42-V115 HydrophobicContact CD1-CG2 4.49Å; L42-V115 HydrophobicContact CD2-CG2 3.79Å; L42-V115 HydrophobicContact CG-CG2 4.18Å; L42-V262 HydrophobicContact CD2-CG2 4.24Å
43K98.8Very high98.8Very high147 Ų14742.8 Ų42.864%0.63922%0.218SC*.Hα-helixtrans-57.4-49175.1179-170.1171.2-163.40111.6K39 E40 A45 T46K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 2.84Å; K39-K43 VanDerWaalsContact O-N 3.07Å; E40-K43 WeakPolarHBondContact O-CB 3.48Å; E40-K43 PolarHBondContact O-N 3.07Å; E40-K43 IonicContact OE2-NZ 3.44Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 2.73Å; K43-T46 PolarHBondContact O-N 3.4Å; K43-T46 VanDerWaalsContact O-N 3.1Å
44R98.6Very high98.8Very high83 Ų8344 Ų4431%0.31322%0.224SC..Hα-helixtrans-63.2-36.3178.3-73.6176-172.6-159.6-1.3112.6S12 A13 E40 V41 L42 T46 K200 I202S12-R44 VanDerWaalsContact OG-CB 3.24Å; S12-R44 WeakPolarHBondContact OG-CB 3.34Å; A13-R44 PolarHBondContact O-NH1 2.95Å; E40-R44 HydrophobicContact CG-CG 4.34Å; E40-R44 VanDerWaalsContact CG-NE 3.32Å; E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 VanDerWaalsContact O-CG 3.32Å; E40-R44 WeakPolarHBondContact O-CG 3.31Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 IonicContact OE1-CZ 3.32Å; E40-R44 IonicContact OE1-NE 2.8Å; E40-R44 PolarHBondContact OE1-NE 3.11Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.86Å; V41-R44 PolarHBondContact O-N 2.93Å; L42-R44 PolarHBondContact O-N 3.22Å; R44-T46 PolarHBondContact O-N 3.24Å; R44-K200 VanDerWaalsContact CZ-O 3.3Å; R44-K200 PolarHBondContact NH1-O 3.18Å; R44-K200 PolarHBondContact NH2-O 2.9Å; R44-I202 PolarHBondContact NH2-O 3.29Å
45A98.3Very high98.8Very high3 Ų344 Ų443%0.02522%0.224CC..THydrogen-bonded Turntrans-79-5.9175.700000113.2V41 L42 K43 V47 V262 L274V41-A45 VanDerWaalsContact O-CB 3.27Å; V41-A45 WeakPolarHBondContact O-CB 3.41Å; V41-A45 PolarHBondContact O-N 2.59Å; L42-A45 CarbonylContact O-C 3.6Å; L42-A45 PolarHBondContact O-N 3.27Å; K43-A45 VanDerWaalsContact C-N 3.32Å; K43-A45 PolarHBondContact O-N 2.73Å; A45-V47 HydrophobicContact CB-CB 4.36Å; A45-V47 HydrophobicContact CB-CG2 3.88Å; A45-V47 PolarHBondContact O-N 3.29Å; A45-V262 HydrophobicContact CB-CB 4.29Å; A45-V262 HydrophobicContact CB-CG1 4.31Å; A45-V262 HydrophobicContact CB-CG2 4.19Å; A45-L274 VanDerWaalsContact O-CD2 3.27Å; A45-L274 WeakPolarHBondContact O-CD2 3.38Å
46T98.4Very high98.8Very high107 Ų10743.4 Ų43.466%0.65622%0.22SC*.THydrogen-bonded Turntrans51.333.8-170.958.60000113.3L42 K43 R44 L274L42-T46 PolarHBondContact O-N 2.99Å; K43-T46 PolarHBondContact O-N 3.4Å; K43-T46 VanDerWaalsContact O-N 3.1Å; R44-T46 PolarHBondContact O-N 3.24Å; T46-L274 WeakPolarHBondContact OG1-CD2 3.48Å
47V98.5Very high98.8Very high7 Ų741.6 Ų41.64%0.04221%0.208CC..  trans-98.6127.6176.6173.30000108.5L42 A45 D51 I113 M264 L274L42-V47 HydrophobicContact CD2-CB 4.06Å; L42-V47 HydrophobicContact CD2-CG1 3.91Å; L42-V47 PolarHBondContact O-N 3.44Å; A45-V47 HydrophobicContact CB-CB 4.36Å; A45-V47 HydrophobicContact CB-CG2 3.88Å; A45-V47 PolarHBondContact O-N 3.29Å; V47-D51 HydrophobicContact CG1-CB 4.09Å; V47-I113 HydrophobicContact CG1-CD1 4.04Å; V47-I113 HydrophobicContact CG1-CG2 4.29Å; V47-I113 HydrophobicContact CG2-CD1 4.46Å; V47-M264 HydrophobicContact CG2-CE 3.94Å; V47-L274 HydrophobicContact CG2-CD1 4.36Å
48V98.4Very high98.8Very high62 Ų6241.6 Ų41.638%0.37621%0.208SC..  trans-75.1144.7176-64.60000110.6E50 D51V48-E50 HydrophobicContact CB-CG 4.31Å; V48-E50 WeakPolarHBondContact CB-OE1 3.46Å; V48-E50 VanDerWaalsContact CG2-CD 3.43Å; V48-E50 HydrophobicContact CG2-CG 3.71Å; V48-E50 WeakPolarHBondContact CG2-OE1 3.41Å; V48-E50 PolarHBondContact O-N 3.07Å; V48-E50 VanDerWaalsContact O-N 3.16Å; V48-D51 HydrophobicContact CG2-CB 4.1Å; V48-D51 VanDerWaalsContact CG2-CG 3.44Å; V48-D51 WeakPolarHBondContact CG2-OD2 3.37Å; V48-D51 WeakPolarHBondContact O-CB 3.38Å; V48-D51 PolarHBondContact O-N 3.48Å
49P98.6Very high98.8Very high37 Ų3741.9 Ų41.924%0.2421%0.21CC..G310 helixtrans-58.8-30.1-173.5-24.433.8000114.8D51 V52 G78 I79P49-D51 VanDerWaalsContact C-N 3.27Å; P49-D51 PolarHBondContact O-N 3.25Å; P49-V52 WeakPolarHBondContact O-CB 3.27Å; P49-V52 WeakPolarHBondContact O-CG2 3.49Å; P49-V52 PolarHBondContact O-N 3.47Å; P49-G78 WeakPolarHBondContact CB-O 3.27Å; P49-I79 HydrophobicContact CB-CB 4.42Å; P49-I79 HydrophobicContact CB-CG1 4.03Å
50E98.6Very high98.7Very high123 Ų12336 Ų3658%0.57519%0.185SC*.G310 helixtrans-68.9-19.3177.758.9-90-152.200114.5V48 V52 P80V48-E50 HydrophobicContact CB-CG 4.31Å; V48-E50 WeakPolarHBondContact CB-OE1 3.46Å; V48-E50 VanDerWaalsContact CG2-CD 3.43Å; V48-E50 HydrophobicContact CG2-CG 3.71Å; V48-E50 WeakPolarHBondContact CG2-OE1 3.41Å; V48-E50 PolarHBondContact O-N 3.07Å; V48-E50 VanDerWaalsContact O-N 3.16Å; E50-V52 VanDerWaalsContact C-N 3.29Å; E50-P80 HydrophobicContact CB-CG 4.33Å
51D98.7Very high98.7Very high59 Ų5934.5 Ų34.532%0.31618%0.178SC..G310 helixtrans-81.8-11177.3-75.4-9.6000112.6V47 V48 P49 S53 I113 R272V47-D51 HydrophobicContact CG1-CB 4.09Å; V48-D51 HydrophobicContact CG2-CB 4.1Å; V48-D51 VanDerWaalsContact CG2-CG 3.44Å; V48-D51 WeakPolarHBondContact CG2-OD2 3.37Å; V48-D51 WeakPolarHBondContact O-CB 3.38Å; V48-D51 PolarHBondContact O-N 3.48Å; P49-D51 VanDerWaalsContact C-N 3.27Å; P49-D51 PolarHBondContact O-N 3.25Å; D51-S53 PolarHBondContact O-N 3.16Å; D51-I113 HydrophobicContact CB-CD1 4.15Å; D51-R272 IonicContact OD2-CZ 2.84Å; D51-R272 IonicContact OD2-NH1 3.37Å; D51-R272 PolarHBondContact OD2-NH1 3.04Å; D51-R272 IonicContact OD2-NH2 3.21Å; D51-R272 PolarHBondContact OD2-NH2 2.99Å
52V98.9Very high98.7Very high4 Ų436.6 Ų36.62%0.02420%0.196CC..  trans-70.3124.7179.9-179.40000109.7L42 P49 E50 E54 V55 I79 V83 V115L42-V52 HydrophobicContact CD1-CG2 4.27Å; L42-V52 HydrophobicContact CD2-CG2 3.64Å; P49-V52 WeakPolarHBondContact O-CB 3.27Å; P49-V52 WeakPolarHBondContact O-CG2 3.49Å; P49-V52 PolarHBondContact O-N 3.47Å; E50-V52 VanDerWaalsContact C-N 3.29Å; V52-E54 VanDerWaalsContact CG1-O 3.28Å; V52-E54 WeakPolarHBondContact CG1-O 3.2Å; V52-V55 HydrophobicContact CG1-CG2 4.07Å; V52-I79 HydrophobicContact CG1-CD1 4.43Å; V52-I79 HydrophobicContact CG2-CD1 4.37Å; V52-V83 HydrophobicContact CB-CG1 4.3Å; V52-V83 HydrophobicContact CG1-CG1 3.97Å; V52-V83 WeakPolarHBondContact O-CG1 3.37Å; V52-V83 WeakPolarHBondContact O-CG2 3.45Å; V52-V115 HydrophobicContact CG1-CG2 4.01Å; V52-V115 HydrophobicContact CG2-CG2 4Å
53S98.9Very high98.7Very high37 Ų3738 Ų3826%0.25921%0.208SC..  trans-77.8-42.7177.5-50.20000111.8D51 P84 S112 I113D51-S53 PolarHBondContact O-N 3.16Å; S53-P84 VanDerWaalsContact O-CD 3.26Å; S53-P84 WeakPolarHBondContact O-CD 3.2Å; S53-P84 WeakPolarHBondContact O-CG 3.22Å; S53-S112 PolarHBondContact OG-N 3.17Å; S53-I113 VanDerWaalsContact CB-O 3.31Å; S53-I113 WeakPolarHBondContact CB-O 3.29Å; S53-I113 PolarHBondContact N-O 2.87Å; S53-I113 PolarHBondContact OG-N 2.83Å; S53-I113 PolarHBondContact OG-O 2.87Å
54E98.9Very high98.7Very high24 Ų2434.9 Ų34.911%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-158.2164.1175.265.5-177.9125.800112.7V52 I56 P84 W86 S105 S111 V114 V115V52-E54 VanDerWaalsContact CG1-O 3.28Å; V52-E54 WeakPolarHBondContact CG1-O 3.2Å; E54-I56 HydrophobicContact CG-CD1 4.26Å; E54-I56 HydrophobicContact CG-CG1 4.13Å; E54-P84 CarbonylContact C-O 3.58Å; E54-P84 VanDerWaalsContact CA-O 3.29Å; E54-P84 WeakPolarHBondContact CA-O 3.45Å; E54-P84 HydrophobicContact CB-CG 3.93Å; E54-W86 PolarHBondContact OE2-NE1 3.42Å; E54-S105 VanDerWaalsContact OE1-CB 3.29Å; E54-S105 WeakPolarHBondContact OE1-CB 3.46Å; E54-S105 PolarHBondContact OE1-OG 2.81Å; E54-S111 PolarHBondContact OE1-OG 3.35Å; E54-V114 HydrophobicContact CG-CB 4.44Å; E54-V114 HydrophobicContact CG-CG1 3.92Å; E54-V114 HydrophobicContact CG-CG2 3.81Å; E54-V115 PolarHBondContact O-N 3.48Å
55V98.9Very high98.7Very high0 Ų032.2 Ų32.20%021%0.212CC..EExtended strand (participates in β ladder)trans-120.9122.8174-177.70000110.3I38 V52 F57 V70 I79 P84 A85 W86 V115I38-V55 HydrophobicContact CD1-CG1 4.09Å; V52-V55 HydrophobicContact CG1-CG2 4.07Å; V55-F57 HydrophobicContact CG1-CD2 3.68Å; V55-F57 HydrophobicContact CG1-CE2 3.84Å; V55-V70 HydrophobicContact CG1-CG1 3.89Å; V55-I79 HydrophobicContact CG2-CD1 3.54Å; V55-P84 PolarHBondContact N-O 3.31Å; V55-A85 HydrophobicContact CB-CB 3.84Å; V55-A85 HydrophobicContact CG2-CB 4.49Å; V55-A85 CarbonylContact O-C 3.55Å; V55-A85 VanDerWaalsContact O-CA 3.28Å; V55-A85 WeakPolarHBondContact O-CA 3.48Å; V55-W86 PolarHBondContact O-N 3.29Å; V55-V115 WeakPolarHBondContact CA-O 3.43Å; V55-V115 HydrophobicContact CG2-CB 4.36Å
56I98.9Very high98.7Very high1 Ų134.7 Ų34.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-123116.5-177.3-47177.2000109.2E54 W86 A98 L101 A102 V114 V115 A116 G117E54-I56 HydrophobicContact CG-CD1 4.26Å; E54-I56 HydrophobicContact CG-CG1 4.13Å; I56-W86 WeakPolarHBondContact CA-O 3.44Å; I56-W86 HydrophobicContact CB-CZ2 4.31Å; I56-W86 HydrophobicContact CD1-CH2 4.33Å; I56-W86 HydrophobicContact CD1-CZ2 3.53Å; I56-W86 HydrophobicContact CG1-CZ2 3.7Å; I56-W86 HydrophobicContact CG2-CD2 4.24Å; I56-W86 HydrophobicContact CG2-CE3 4.21Å; I56-W86 HydrophobicContact CG2-CH2 3.7Å; I56-W86 HydrophobicContact CG2-CZ2 3.7Å; I56-W86 HydrophobicContact CG2-CZ3 3.95Å; I56-A98 HydrophobicContact CB-CB 4.48Å; I56-A98 HydrophobicContact CG2-CB 3.98Å; I56-A98 WeakPolarHBondContact O-CB 3.49Å; I56-L101 HydrophobicContact CD1-CB 4.14Å; I56-L101 HydrophobicContact CG2-CB 4.31Å; I56-L101 HydrophobicContact CG2-CD1 4.33Å; I56-A102 HydrophobicContact CD1-CB 4.22Å; I56-V114 HydrophobicContact CD1-CG1 3.97Å; I56-V114 HydrophobicContact CG1-CG1 4.01Å; I56-V115 PolarHBondContact N-O 2.93Å; I56-A116 CarbonylContact O-C 3.59Å; I56-A116 VanDerWaalsContact O-CA 3.22Å; I56-A116 WeakPolarHBondContact O-CA 3.43Å; I56-G117 PolarHBondContact O-N 3.3Å; I56-G117 VanDerWaalsContact O-N 3.1Å
57F98.9Very high98.7Very high0 Ų038.3 Ų38.30%025%0.247CC..EExtended strand (participates in β ladder)trans-127.7141.4-179-93.2-122.5000113.1V37 I38 V55 V70 W86 S87 C88 V115 G117 M119 A260V37-F57 HydrophobicContact CG2-CE1 4.2Å; V37-F57 HydrophobicContact CG2-CZ 4.33Å; I38-F57 HydrophobicContact CD1-CE1 4.45Å; I38-F57 HydrophobicContact CD1-CE2 3.89Å; I38-F57 HydrophobicContact CD1-CZ 3.81Å; I38-F57 HydrophobicContact CG1-CE1 4.33Å; I38-F57 HydrophobicContact CG1-CE2 3.76Å; I38-F57 HydrophobicContact CG1-CZ 3.44Å; I38-F57 VanDerWaalsContact CG1-CZ 3.44Å; V55-F57 HydrophobicContact CG1-CD2 3.68Å; V55-F57 HydrophobicContact CG1-CE2 3.84Å; F57-V70 HydrophobicContact CB-CB 4.25Å; F57-V70 HydrophobicContact CB-CG1 3.74Å; F57-V70 HydrophobicContact CB-CG2 3.49Å; F57-V70 VanDerWaalsContact CB-CG2 3.49Å; F57-V70 HydrophobicContact CD2-CG1 4.32Å; F57-V70 HydrophobicContact CG-CG1 4.27Å; F57-W86 PolarHBondContact N-O 2.77Å; F57-W86 VanDerWaalsContact N-O 3.14Å; F57-S87 CarbonylContact O-C 3.57Å; F57-S87 WeakPolarHBondContact O-CA 3.37Å; F57-C88 PolarHBondContact O-N 2.99Å; F57-V115 HydrophobicContact CE2-CG1 4.14Å; F57-G117 CarbonylContact C-O 3.47Å; F57-G117 WeakPolarHBondContact CA-O 3.38Å; F57-M119 HydrophobicContact CD1-CB 4.32Å; F57-M119 HydrophobicContact CD1-CG 4.08Å; F57-M119 HydrophobicContact CD1-SD 4.17Å; F57-A260 HydrophobicContact CZ-CB 3.78Å
58G98.9Very high98.7Very high0 Ų041 Ų410%026%0.261CS..EExtended strand (participates in β ladder)trans-73.6129.316500000111.9C88 S94 G117 G118 M119G58-C88 WeakPolarHBondContact CA-O 3.37Å; G58-S94 VanDerWaalsContact CA-CB 3.47Å; G58-G117 PolarHBondContact N-O 3.14Å; G58-G118 CarbonylContact O-C 3.55Å; G58-G118 WeakPolarHBondContact O-CA 3.46Å; G58-M119 PolarHBondContact O-N 3.27Å
59H98.9Very high98.8Very high7 Ų738.4 Ų38.43%0.03225%0.245CC..  trans-155.4128.1174-177.524.2000109.5L61 A62 C88 M119 E120H59-L61 PolarHBondContact CE1-O 3.21Å; H59-L61 VanDerWaalsContact CE1-O 3.32Å; H59-A62 WeakPolarHBondContact NE2-CA 3.39Å; H59-C88 PolarHBondContact N-O 3.27Å; H59-M119 HydrophobicContact CB-CG 4.47Å; H59-M119 PolarHBondContact ND1-O 2.93Å; H59-E120 IonicContact CE1-OE1 2.77Å; H59-E120 PolarHBondContact CE1-OE1 2.75Å; H59-E120 IonicContact ND1-OE1 3.53Å; H59-E120 PolarHBondContact ND1-OE1 2.91Å; H59-E120 IonicContact ND1-OE2 3.87Å
60V98.8Very high98.8Very high14 Ų1436.6 Ų36.69%0.08523%0.234CC..SBendtrans-102.9-56.5-173.9-172.90000111.2A62 Q89 I91 E120 L355V60-A62 PolarHBondContact O-N 2.9Å; V60-A62 VanDerWaalsContact O-N 3.1Å; V60-Q89 HydrophobicContact CB-CG 4.42Å; V60-Q89 HydrophobicContact CG1-CG 4.31Å; V60-Q89 HydrophobicContact CG2-CG 4.37Å; V60-I91 VanDerWaalsContact CG2-O 3.3Å; V60-I91 WeakPolarHBondContact CG2-O 3.46Å; V60-E120 VanDerWaalsContact CB-OE2 3.23Å; V60-E120 WeakPolarHBondContact CB-OE2 3.46Å; V60-E120 PolarHBondContact N-OE2 3.4Å; V60-L355 HydrophobicContact CB-CB 4.38Å; V60-L355 HydrophobicContact CG1-CD1 4.48Å; V60-L355 HydrophobicContact CG2-CB 4.03Å
61L98.8Very high98.8Very high4 Ų433.6 Ų33.62%0.02122%0.217CC..  trans-91.470.5-171.6-61.2177.8000111.1H59 E120 M122 A125 S145 I146 D149H59-L61 PolarHBondContact CE1-O 3.21Å; H59-L61 VanDerWaalsContact CE1-O 3.32Å; L61-E120 PolarHBondContact N-OE1 2.99Å; L61-E120 VanDerWaalsContact N-OE1 3.12Å; L61-M122 HydrophobicContact CD1-CB 4.42Å; L61-M122 HydrophobicContact CD1-CE 4.26Å; L61-M122 HydrophobicContact CD1-CG 4.08Å; L61-A125 HydrophobicContact CB-CB 4.41Å; L61-A125 HydrophobicContact CD1-CB 3.94Å; L61-S145 WeakPolarHBondContact CD2-O 3.45Å; L61-I146 HydrophobicContact CD1-CB 4.36Å; L61-I146 HydrophobicContact CD1-CG1 3.99Å; L61-I146 HydrophobicContact CD1-CG2 4.43Å; L61-D149 HydrophobicContact CD2-CB 3.91Å
62A98.7Very high98.8Very high44 Ų4433.9 Ų33.936%0.36422%0.217SC..  trans-87.2-0.8-17300000115H59 V60 G64 C65H59-A62 WeakPolarHBondContact NE2-CA 3.39Å; V60-A62 PolarHBondContact O-N 2.9Å; V60-A62 VanDerWaalsContact O-N 3.1Å; A62-G64 PolarHBondContact O-N 2.99Å; A62-C65 WeakPolarHBondContact O-CB 3.47Å; A62-C65 PolarHBondContact O-N 2.89Å; A62-C65 VanDerWaalsContact O-N 3.15Å
63A98.8Very high98.8Very high35 Ų3533.7 Ų33.729%0.28922%0.216SC..THydrogen-bonded Turntrans-60.4122.9-177.200000111C65 P126 L128A63-C65 VanDerWaalsContact C-N 3.29Å; A63-C65 PolarHBondContact O-N 3.04Å; A63-P126 HydrophobicContact CB-CG 3.79Å; A63-P126 WeakPolarHBondContact O-CD 3.37Å; A63-L128 HydrophobicContact CB-CD2 4.36Å
64G98.4Very high98.8Very high82 Ų8231.9 Ų31.985%0.84520%0.203SC*.THydrogen-bonded Turntrans80.2-1.4179.500000115.5A62 G66A62-G64 PolarHBondContact O-N 2.99Å; G64-G66 PolarHBondContact O-N 3.5Å
65C98.7Very high98.8Very high26 Ų2632.8 Ų32.818%0.17621%0.21CC..SBendtrans-78.20.9179.3-59.20000114.3V30 A62 A63 P69 Q72V30-C65 HydrophobicContact CG1-CB 4.34Å; A62-C65 WeakPolarHBondContact O-CB 3.47Å; A62-C65 PolarHBondContact O-N 2.89Å; A62-C65 VanDerWaalsContact O-N 3.15Å; A63-C65 VanDerWaalsContact C-N 3.29Å; A63-C65 PolarHBondContact O-N 3.04Å; C65-P69 HydrophobicContact CB-CB 4.19Å; C65-P69 HydrophobicContact CB-CG 3.48Å; C65-P69 VanDerWaalsContact CB-CG 3.48Å; C65-Q72 PolarHBondContact O-NE2 3.07Å
66G98.6Very high98.8Very high55 Ų5535.3 Ų35.357%0.56724%0.236SC*.  trans84-171.4-177.800000113.7G64 N68G64-G66 PolarHBondContact O-N 3.5Å; G66-N68 PolarHBondContact O-N 3.46Å
67Q98.6Very high98.8Very high183 Ų18335.7 Ų35.786%0.85524%0.239SC*.SBendtrans-70.8125.6-179.4-69-176.5-8.100110.4Q72Q67-Q72 PolarHBondContact O-NE2 3.34Å
68N98.6Very high98.8Very high63 Ų6338 Ų3834%0.33726%0.263SS..  trans40.677.9174.4-172.8-5.3000113.5G66 V70 R71 Q72 A85G66-N68 PolarHBondContact O-N 3.46Å; N68-V70 PolarHBondContact O-N 2.77Å; N68-V70 VanDerWaalsContact O-N 3.11Å; N68-V70 PolarHBondContact OD1-N 3.28Å; N68-R71 HydrophobicContact CB-CB 3.97Å; N68-R71 VanDerWaalsContact CG-CB 3.46Å; N68-R71 WeakPolarHBondContact ND2-CB 3.48Å; N68-R71 WeakPolarHBondContact O-CA 3.5Å; N68-R71 WeakPolarHBondContact O-CB 3.32Å; N68-R71 PolarHBondContact O-N 3.41Å; N68-R71 PolarHBondContact OD1-N 3.25Å; N68-R71 VanDerWaalsContact OD1-N 3.16Å; N68-Q72 PolarHBondContact O-N 2.91Å; N68-A85 PolarHBondContact ND2-O 2.99Å
69P98.9Very high98.8Very high8 Ų838.1 Ų38.15%0.05226%0.264CS..Hα-helixtrans-57-29.2-177.3-2736.5000113.9C65 R71 Q72 A73 M119C65-P69 HydrophobicContact CB-CB 4.19Å; C65-P69 HydrophobicContact CB-CG 3.48Å; C65-P69 VanDerWaalsContact CB-CG 3.48Å; P69-R71 VanDerWaalsContact C-N 3.34Å; P69-Q72 WeakPolarHBondContact O-CB 3.43Å; P69-Q72 PolarHBondContact O-N 2.84Å; P69-A73 PolarHBondContact O-N 2.8Å; P69-M119 HydrophobicContact CB-CE 3.75Å
70V98.9Very high98.8Very high0 Ų040 Ų400%028%0.276CS..Hα-helixtrans-67.2-37.7176.2179.40000111.2V55 F57 N68 Q72 A73 S74 A85 W86 M119V55-V70 HydrophobicContact CG1-CG1 3.89Å; F57-V70 HydrophobicContact CB-CB 4.25Å; F57-V70 HydrophobicContact CB-CG1 3.74Å; F57-V70 HydrophobicContact CB-CG2 3.49Å; F57-V70 VanDerWaalsContact CB-CG2 3.49Å; F57-V70 HydrophobicContact CD2-CG1 4.32Å; F57-V70 HydrophobicContact CG-CG1 4.27Å; N68-V70 PolarHBondContact O-N 2.77Å; N68-V70 VanDerWaalsContact O-N 3.11Å; N68-V70 PolarHBondContact OD1-N 3.28Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; V70-A73 PolarHBondContact O-N 2.96Å; V70-S74 WeakPolarHBondContact O-CB 3.48Å; V70-S74 PolarHBondContact O-N 3.25Å; V70-A85 HydrophobicContact CG1-CB 4.32Å; V70-W86 WeakPolarHBondContact CG1-O 3.27Å; V70-M119 HydrophobicContact CB-CE 4.46Å; V70-M119 HydrophobicContact CG2-CE 3.77Å
71R98.9Very high98.8Very high59 Ų5948 Ų4822%0.22331%0.306CS..Hα-helixtrans-64.5-40.2172178.555.6170.5-175.2-28.8112.2N68 P69 A73 S74 V75 P80 Y81 V83 A85N68-R71 HydrophobicContact CB-CB 3.97Å; N68-R71 VanDerWaalsContact CG-CB 3.46Å; N68-R71 WeakPolarHBondContact ND2-CB 3.48Å; N68-R71 WeakPolarHBondContact O-CA 3.5Å; N68-R71 WeakPolarHBondContact O-CB 3.32Å; N68-R71 PolarHBondContact O-N 3.41Å; N68-R71 PolarHBondContact OD1-N 3.25Å; N68-R71 VanDerWaalsContact OD1-N 3.16Å; P69-R71 VanDerWaalsContact C-N 3.34Å; R71-A73 VanDerWaalsContact C-N 3.32Å; R71-S74 PolarHBondContact O-N 2.82Å; R71-V75 WeakPolarHBondContact O-CG2 3.3Å; R71-V75 PolarHBondContact O-N 3.17Å; R71-P80 PolarHBondContact NH1-O 2.84Å; R71-Y81 VanDerWaalsContact NH2-CA 3.28Å; R71-Y81 PolarHBondContact NH2-O 3.36Å; R71-V83 VanDerWaalsContact CZ-O 3.27Å; R71-V83 PolarHBondContact NH1-O 3.18Å; R71-V83 PolarHBondContact NH2-O 3.06Å; R71-A85 HydrophobicContact CB-CB 4.18Å
72Q98.9Very high98.8Very high65 Ų6552.7 Ų52.730%0.30434%0.34SS..Hα-helixtrans-60.5-44173.3-61.1175.154.600110.9Q31 C65 Q67 N68 P69 V70 V75 G76Q31-Q72 HydrophobicContact CB-CB 3.84Å; Q31-Q72 HydrophobicContact CG-CB 4.01Å; C65-Q72 PolarHBondContact O-NE2 3.07Å; Q67-Q72 PolarHBondContact O-NE2 3.34Å; N68-Q72 PolarHBondContact O-N 2.91Å; P69-Q72 WeakPolarHBondContact O-CB 3.43Å; P69-Q72 PolarHBondContact O-N 2.84Å; V70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-V75 PolarHBondContact O-N 3.44Å; Q72-G76 PolarHBondContact O-N 2.88Å
73A98.9Very high98.8Very high0 Ų050.9 Ų50.90%032%0.324CS..Hα-helixtrans-64.3-42.5177.600000113.2Q31 S35 I38 P69 V70 R71 G76 A77 M119Q31-A73 HydrophobicContact CB-CB 4.26Å; Q31-A73 WeakPolarHBondContact O-CA 3.47Å; Q31-A73 WeakPolarHBondContact O-CB 3.4Å; S35-A73 WeakPolarHBondContact OG-CA 3.29Å; S35-A73 PolarHBondContact OG-O 3.31Å; S35-A73 VanDerWaalsContact OG-O 3.07Å; I38-A73 HydrophobicContact CD1-CB 3.97Å; P69-A73 PolarHBondContact O-N 2.8Å; V70-A73 PolarHBondContact O-N 2.96Å; R71-A73 VanDerWaalsContact C-N 3.32Å; A73-G76 PolarHBondContact O-N 2.82Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 2.82Å; A73-M119 HydrophobicContact CB-CE 4.46Å; A73-M119 HydrophobicContact CB-SD 4.08Å
74S98.9Very high98.8Very high0 Ų052.8 Ų52.80%033%0.334CS..Hα-helixtrans-58.5-52.2175.8166.50000111.3V70 R71 A77 I79V70-S74 WeakPolarHBondContact O-CB 3.48Å; V70-S74 PolarHBondContact O-N 3.25Å; R71-S74 PolarHBondContact O-N 2.82Å; S74-A77 PolarHBondContact O-N 3.25Å; S74-I79 VanDerWaalsContact O-CB 3.3Å; S74-I79 WeakPolarHBondContact O-CB 3.46Å; S74-I79 PolarHBondContact O-N 2.71Å; S74-I79 VanDerWaalsContact O-N 3.12Å
75V98.9Very high98.8Very high42 Ų4249.3 Ų49.326%0.25530%0.297SS..Hα-helixtrans-66.2-41.3179173.50000111.2R71 Q72 A77 G78 Y81R71-V75 WeakPolarHBondContact O-CG2 3.3Å; R71-V75 PolarHBondContact O-N 3.17Å; Q72-V75 PolarHBondContact O-N 3.44Å; V75-A77 PolarHBondContact O-N 3.19Å; V75-G78 PolarHBondContact O-N 2.97Å; V75-Y81 HydrophobicContact CB-CE1 4.28Å; V75-Y81 HydrophobicContact CG1-CD1 4.32Å; V75-Y81 HydrophobicContact CG1-CE1 3.56Å; V75-Y81 HydrophobicContact CG2-CD1 3.69Å; V75-Y81 HydrophobicContact CG2-CE1 3.66Å
76G98.8Very high98.8Very high53 Ų5352.3 Ų52.355%0.54631%0.305SS..Hα-helixtrans-61.8-26.817700000113.6S35 Q72 A73 G78S35-G76 WeakPolarHBondContact OG-CA 3.44Å; Q72-G76 PolarHBondContact O-N 2.88Å; A73-G76 PolarHBondContact O-N 2.82Å; G76-G78 VanDerWaalsContact C-N 3.29Å
77A98.8Very high98.8Very high9 Ų952.5 Ų52.57%0.07430%0.297CS..THydrogen-bonded Turntrans-79.3-7.7172.500000114.3S35 I38 K39 A73 S74 V75S35-A77 WeakPolarHBondContact O-CB 3.39Å; I38-A77 HydrophobicContact CB-CB 3.68Å; I38-A77 HydrophobicContact CG2-CB 3.37Å; K39-A77 HydrophobicContact CB-CB 4.14Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 2.82Å; S74-A77 PolarHBondContact O-N 3.25Å; V75-A77 PolarHBondContact O-N 3.19Å
78G98.8Very high98.9Very high49 Ų4944.5 Ų44.551%0.50526%0.261SS..THydrogen-bonded Turntrans93.110.2-177.200000114.9P49 V75 G76P49-G78 WeakPolarHBondContact CB-O 3.27Å; V75-G78 PolarHBondContact O-N 2.97Å; G76-G78 VanDerWaalsContact C-N 3.29Å
79I98.8Very high98.9Very high3 Ų346.8 Ų46.82%0.01527%0.27CS..  trans-72.7133.2172.2-60.7175000109I38 L42 P49 V52 V55 S74 V83I38-I79 HydrophobicContact CG2-CD1 3.55Å; I38-I79 HydrophobicContact CG2-CG1 4.34Å; L42-I79 HydrophobicContact CD1-CD1 4.03Å; L42-I79 HydrophobicContact CD1-CG1 3.98Å; P49-I79 HydrophobicContact CB-CB 4.42Å; P49-I79 HydrophobicContact CB-CG1 4.03Å; V52-I79 HydrophobicContact CG1-CD1 4.43Å; V52-I79 HydrophobicContact CG2-CD1 4.37Å; V55-I79 HydrophobicContact CG2-CD1 3.54Å; S74-I79 VanDerWaalsContact O-CB 3.3Å; S74-I79 WeakPolarHBondContact O-CB 3.46Å; S74-I79 PolarHBondContact O-N 2.71Å; S74-I79 VanDerWaalsContact O-N 3.12Å; I79-V83 HydrophobicContact CG2-CB 3.53Å; I79-V83 HydrophobicContact CG2-CG1 3.74Å; I79-V83 HydrophobicContact CG2-CG2 3.66Å
80P98.8Very high98.9Very high45 Ų4547.4 Ų47.429%0.29227%0.272SS..  trans-69.2159-172.925.3-31.9000113.1E50 R71 S82 V83E50-P80 HydrophobicContact CB-CG 4.33Å; R71-P80 PolarHBondContact NH1-O 2.84Å; P80-S82 PolarHBondContact O-N 3.26Å; P80-V83 HydrophobicContact CG-CG2 3.99Å; P80-V83 PolarHBondContact O-N 2.98Å; P80-V83 VanDerWaalsContact O-N 3.08Å
81Y98.8Very high98.8Very high182 Ų18248.9 Ų48.971%0.71428%0.28SS*.THydrogen-bonded Turntrans-62.1-15.3178.5-63.5-54.3000114.4R71 V75 V83R71-Y81 VanDerWaalsContact NH2-CA 3.28Å; R71-Y81 PolarHBondContact NH2-O 3.36Å; V75-Y81 HydrophobicContact CB-CE1 4.28Å; V75-Y81 HydrophobicContact CG1-CD1 4.32Å; V75-Y81 HydrophobicContact CG1-CE1 3.56Å; V75-Y81 HydrophobicContact CG2-CD1 3.69Å; V75-Y81 HydrophobicContact CG2-CE1 3.66Å; Y81-V83 VanDerWaalsContact C-N 3.29Å; Y81-V83 PolarHBondContact O-N 3.02Å
82S98.8Very high98.8Very high103 Ų10346.7 Ų46.772%0.7227%0.273SS*.THydrogen-bonded Turntrans-69.6-25.5174.347.60000113.2P80P80-S82 PolarHBondContact O-N 3.26Å
83V98.9Very high98.8Very high6 Ų643.6 Ų43.64%0.03626%0.259CS..SBendtrans-82.7124.7-173.8178.50000110.2V52 R71 I79 P80 Y81V52-V83 HydrophobicContact CB-CG1 4.3Å; V52-V83 HydrophobicContact CG1-CG1 3.97Å; V52-V83 WeakPolarHBondContact O-CG1 3.37Å; V52-V83 WeakPolarHBondContact O-CG2 3.45Å; R71-V83 VanDerWaalsContact CZ-O 3.27Å; R71-V83 PolarHBondContact NH1-O 3.18Å; R71-V83 PolarHBondContact NH2-O 3.06Å; I79-V83 HydrophobicContact CG2-CB 3.53Å; I79-V83 HydrophobicContact CG2-CG1 3.74Å; I79-V83 HydrophobicContact CG2-CG2 3.66Å; P80-V83 HydrophobicContact CG-CG2 3.99Å; P80-V83 PolarHBondContact O-N 2.98Å; P80-V83 VanDerWaalsContact O-N 3.08Å; Y81-V83 VanDerWaalsContact C-N 3.29Å; Y81-V83 PolarHBondContact O-N 3.02Å
84P98.9Very high98.8Very high75 Ų7543.6 Ų43.649%0.48726%0.259SS..  trans-66.3145.2173.226.6-34.8000112S53 E54 V55S53-P84 VanDerWaalsContact O-CD 3.26Å; S53-P84 WeakPolarHBondContact O-CD 3.2Å; S53-P84 WeakPolarHBondContact O-CG 3.22Å; E54-P84 CarbonylContact C-O 3.58Å; E54-P84 VanDerWaalsContact CA-O 3.29Å; E54-P84 WeakPolarHBondContact CA-O 3.45Å; E54-P84 HydrophobicContact CB-CG 3.93Å; V55-P84 PolarHBondContact N-O 3.31Å
85A98.9Very high98.8Very high9 Ų943.6 Ų43.67%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-145.3134.5177.300000110.3V55 N68 V70 R71V55-A85 HydrophobicContact CB-CB 3.84Å; V55-A85 HydrophobicContact CG2-CB 4.49Å; V55-A85 CarbonylContact O-C 3.55Å; V55-A85 VanDerWaalsContact O-CA 3.28Å; V55-A85 WeakPolarHBondContact O-CA 3.48Å; N68-A85 PolarHBondContact ND2-O 2.99Å; V70-A85 HydrophobicContact CG1-CB 4.32Å; R71-A85 HydrophobicContact CB-CB 4.18Å
86W98.9Very high98.8Very high90 Ų9041.6 Ų41.634%0.34125%0.247SC..EExtended strand (participates in β ladder)trans-155.1160.6-172.259.9-85.4000112.8E54 V55 I56 F57 V70 C88 L101E54-W86 PolarHBondContact OE2-NE1 3.42Å; V55-W86 PolarHBondContact O-N 3.29Å; I56-W86 WeakPolarHBondContact CA-O 3.44Å; I56-W86 HydrophobicContact CB-CZ2 4.31Å; I56-W86 HydrophobicContact CD1-CH2 4.33Å; I56-W86 HydrophobicContact CD1-CZ2 3.53Å; I56-W86 HydrophobicContact CG1-CZ2 3.7Å; I56-W86 HydrophobicContact CG2-CD2 4.24Å; I56-W86 HydrophobicContact CG2-CE3 4.21Å; I56-W86 HydrophobicContact CG2-CH2 3.7Å; I56-W86 HydrophobicContact CG2-CZ2 3.7Å; I56-W86 HydrophobicContact CG2-CZ3 3.95Å; F57-W86 PolarHBondContact N-O 2.77Å; F57-W86 VanDerWaalsContact N-O 3.14Å; V70-W86 WeakPolarHBondContact CG1-O 3.27Å; W86-C88 HydrophobicContact CZ3-CB 4.07Å; W86-L101 HydrophobicContact CH2-CB 4.26Å; W86-L101 HydrophobicContact CH2-CD1 3.77Å; W86-L101 HydrophobicContact CH2-CD2 4.31Å; W86-L101 HydrophobicContact CH2-CG 4.33Å; W86-L101 HydrophobicContact CZ3-CD1 4.12Å
87S98.9Very high98.8Very high58 Ų5840.3 Ų40.341%0.40623%0.226SC..EExtended strand (participates in β ladder)trans-106.1144.2-177.457.60000112.7F57F57-S87 CarbonylContact O-C 3.57Å; F57-S87 WeakPolarHBondContact O-CA 3.37Å
88C98.9Very high98.8Very high15 Ų1539.9 Ų39.910%0.10122%0.223CC..EExtended strand (participates in β ladder)trans-112.4147.3162.764.80000110.6F57 G58 H59 W86 S94 L101F57-C88 PolarHBondContact O-N 2.99Å; G58-C88 WeakPolarHBondContact CA-O 3.37Å; H59-C88 PolarHBondContact N-O 3.27Å; W86-C88 HydrophobicContact CZ3-CB 4.07Å; C88-S94 PolarHBondContact SG-O 3.23Å; C88-L101 HydrophobicContact CB-CD1 3.75Å
89Q98.8Very high98.8Very high112 Ų11237.6 Ų37.652%0.52320%0.199SC..  trans-124.6118.3176.1-160.2-84.67900109V60V60-Q89 HydrophobicContact CB-CG 4.42Å; V60-Q89 HydrophobicContact CG1-CG 4.31Å; V60-Q89 HydrophobicContact CG2-CG 4.37Å
90M98.7Very high98.8Very high20 Ų2037.4 Ų37.410%0.09920%0.198CC..  trans-144.345.3174.4-159.6-173.5-177.600109.3C92 G93 S94 K97 Q285 I384 M388M90-C92 PolarHBondContact O-N 3.23Å; M90-G93 WeakPolarHBondContact O-CA 3.37Å; M90-G93 PolarHBondContact O-N 3.15Å; M90-S94 VanDerWaalsContact C-OG 3.31Å; M90-S94 PolarHBondContact N-OG 2.99Å; M90-S94 PolarHBondContact O-N 3.4Å; M90-K97 HydrophobicContact CB-CB 4.37Å; M90-K97 HydrophobicContact CB-CG 4.45Å; M90-K97 HydrophobicContact SD-CB 4.07Å; M90-K97 HydrophobicContact SD-CD 4.18Å; M90-K97 HydrophobicContact SD-CG 3.98Å; M90-Q285 HydrophobicContact CE-CB 4.31Å; M90-I384 HydrophobicContact CE-CD1 3.64Å; M90-I384 HydrophobicContact CG-CD1 3.97Å; M90-I384 HydrophobicContact CG-CG2 4.47Å; M90-I384 WeakPolarHBondContact O-CG2 3.44Å; M90-I384 HydrophobicContact SD-CD1 3.86Å; M90-M388 HydrophobicContact CE-CB 4.23Å; M90-M388 HydrophobicContact CE-CE 4.15Å; M90-M388 HydrophobicContact CE-CG 4.49Å; M90-M388 HydrophobicContact CE-SD 3.53Å; M90-M388 VanDerWaalsContact CE-SD 3.53Å; M90-M388 HydrophobicContact CG-CE 4.17Å
91I98.4Very high98.8Very high32 Ų3237 Ų3716%0.16419%0.193CC..G310 helixtrans42.6-120.9-174.4-41.9-175.6000110.9V60 G93 S94 I384 G385V60-I91 VanDerWaalsContact CG2-O 3.3Å; V60-I91 WeakPolarHBondContact CG2-O 3.46Å; I91-G93 PolarHBondContact O-N 2.98Å; I91-S94 PolarHBondContact N-OG 2.96Å; I91-S94 WeakPolarHBondContact O-CB 3.49Å; I91-S94 PolarHBondContact O-N 2.82Å; I91-S94 VanDerWaalsContact O-N 3.17Å; I91-S94 PolarHBondContact O-OG 3.4Å; I91-I384 HydrophobicContact CB-CG2 3.87Å; I91-I384 HydrophobicContact CG1-CG2 4.29Å; I91-G385 WeakPolarHBondContact CD1-O 3.45Å
92C97.8Very high98.8Very high12 Ų1228.3 Ų28.38%0.08116%0.159CC..G310 helixtrans-62.3-26.6179.7-53.30000112.9M90 S94 H353 C383M90-C92 PolarHBondContact O-N 3.23Å; C92-S94 VanDerWaalsContact C-N 3.33Å; C92-H353 PolarHBondContact SG-NE2 3.01Å; C92-C383 WeakPolarHBondContact CB-O 3.24Å
93G98.5Very high98.8Very high0 Ų023.5 Ų23.50%013%0.125CC..G310 helixtrans-81.2-8-179.700000114.2M90 I91 G95 L96 K97M90-G93 WeakPolarHBondContact O-CA 3.37Å; M90-G93 PolarHBondContact O-N 3.15Å; I91-G93 PolarHBondContact O-N 2.98Å; G93-G95 PolarHBondContact O-N 3.35Å; G93-L96 PolarHBondContact O-N 3.31Å; G93-L96 VanDerWaalsContact O-N 3.17Å; G93-K97 WeakPolarHBondContact O-CB 3.37Å; G93-K97 PolarHBondContact O-N 3.18Å
94S98.9Very high98.8Very high0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-53.6-49.5-170.7-53.80000113G58 C88 M90 I91 C92 L96 K97 A98G58-S94 VanDerWaalsContact CA-CB 3.47Å; C88-S94 PolarHBondContact SG-O 3.23Å; M90-S94 VanDerWaalsContact C-OG 3.31Å; M90-S94 PolarHBondContact N-OG 2.99Å; M90-S94 PolarHBondContact O-N 3.4Å; I91-S94 PolarHBondContact N-OG 2.96Å; I91-S94 WeakPolarHBondContact O-CB 3.49Å; I91-S94 PolarHBondContact O-N 2.82Å; I91-S94 VanDerWaalsContact O-N 3.17Å; I91-S94 PolarHBondContact O-OG 3.4Å; C92-S94 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 3.25Å; S94-K97 PolarHBondContact O-N 3.43Å; S94-A98 PolarHBondContact O-N 3.45Å
95G98.9Very high98.8Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-64.3-36.4-177.600000113.6G93 G117 G356G93-G95 PolarHBondContact O-N 3.35Å; G95-G117 WeakPolarHBondContact CA-O 3.48Å; G95-G356 VanDerWaalsContact CA-O 3.24Å; G95-G356 WeakPolarHBondContact CA-O 3.42Å; G95-G356 PolarHBondContact N-O 3.03Å
96L98.9Very high98.8Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-77.2-34.9175.9-169.559.7000111G93 S94 A98 V99 C100 L363 A380 L382 I390 M392G93-L96 PolarHBondContact O-N 3.31Å; G93-L96 VanDerWaalsContact O-N 3.17Å; S94-L96 PolarHBondContact O-N 3.25Å; L96-A98 VanDerWaalsContact C-N 3.28Å; L96-A98 PolarHBondContact O-N 3.46Å; L96-V99 WeakPolarHBondContact O-CB 3.44Å; L96-V99 PolarHBondContact O-N 2.98Å; L96-V99 VanDerWaalsContact O-N 3.12Å; L96-C100 PolarHBondContact O-N 3.31Å; L96-C100 VanDerWaalsContact O-N 3.09Å; L96-C100 PolarHBondContact O-SG 3.14Å; L96-L363 HydrophobicContact CD1-CB 4.23Å; L96-L363 HydrophobicContact CD1-CD2 3.99Å; L96-A380 HydrophobicContact CD2-CB 4.47Å; L96-L382 HydrophobicContact CB-CD1 4.06Å; L96-L382 HydrophobicContact CD2-CD1 3.66Å; L96-I390 HydrophobicContact CB-CD1 4.23Å; L96-I390 HydrophobicContact CB-CG2 4.49Å; L96-I390 HydrophobicContact CD2-CG1 4.16Å; L96-I390 HydrophobicContact CD2-CG2 4.12Å; L96-I390 HydrophobicContact CG-CD1 4.25Å; L96-I390 HydrophobicContact CG-CG1 4.41Å; L96-M392 HydrophobicContact CD1-CB 4.07Å; L96-M392 HydrophobicContact CD1-CE 4.04Å; L96-M392 HydrophobicContact CD1-SD 4.16Å; L96-M392 HydrophobicContact CD2-CB 4.28Å; L96-M392 HydrophobicContact CG-CB 4.48Å
97K98.9Very high98.7Very high27 Ų2722.1 Ų22.112%0.11713%0.129CC..Hα-helixtrans-62.5-36.6176.1179.856.3-176.8169.40111.7M90 G93 S94 V99 C100 L101 I390M90-K97 HydrophobicContact CB-CB 4.37Å; M90-K97 HydrophobicContact CB-CG 4.45Å; M90-K97 HydrophobicContact SD-CB 4.07Å; M90-K97 HydrophobicContact SD-CD 4.18Å; M90-K97 HydrophobicContact SD-CG 3.98Å; G93-K97 WeakPolarHBondContact O-CB 3.37Å; G93-K97 PolarHBondContact O-N 3.18Å; S94-K97 PolarHBondContact O-N 3.43Å; K97-V99 VanDerWaalsContact C-N 3.3Å; K97-V99 PolarHBondContact O-N 2.94Å; K97-C100 HydrophobicContact CD-CB 4.4Å; K97-C100 WeakPolarHBondContact O-CB 3.32Å; K97-C100 PolarHBondContact O-N 2.88Å; K97-L101 HydrophobicContact CD-CD1 4.32Å; K97-L101 HydrophobicContact CD-CG 4.28Å; K97-L101 HydrophobicContact CG-CD1 3.93Å; K97-L101 HydrophobicContact CG-CG 4.41Å; K97-L101 WeakPolarHBondContact O-CD1 3.33Å; K97-L101 VanDerWaalsContact O-CG 3.29Å; K97-L101 WeakPolarHBondContact O-CG 3.27Å; K97-L101 PolarHBondContact O-N 3.48Å; K97-I390 HydrophobicContact CB-CD1 3.85Å; K97-I390 HydrophobicContact CD-CD1 4.32Å
98A98.9Very high98.6Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-57.3-42.5172.300000112.3I56 S94 L96 L101 A102 G117I56-A98 HydrophobicContact CB-CB 4.48Å; I56-A98 HydrophobicContact CG2-CB 3.98Å; I56-A98 WeakPolarHBondContact O-CB 3.49Å; S94-A98 PolarHBondContact O-N 3.45Å; L96-A98 VanDerWaalsContact C-N 3.28Å; L96-A98 PolarHBondContact O-N 3.46Å; A98-L101 PolarHBondContact O-N 3.1Å; A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 2.95Å; A98-G117 VanDerWaalsContact CB-O 3.24Å; A98-G117 WeakPolarHBondContact CB-O 3.18Å
99V98.9Very high98.6Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-65.3-40.6176.1-171.50000111.1L96 K97 A102 A103 A116 V261 L263 I280 L363 M392L96-V99 WeakPolarHBondContact O-CB 3.44Å; L96-V99 PolarHBondContact O-N 2.98Å; L96-V99 VanDerWaalsContact O-N 3.12Å; K97-V99 VanDerWaalsContact C-N 3.3Å; K97-V99 PolarHBondContact O-N 2.94Å; V99-A102 PolarHBondContact O-N 2.83Å; V99-A103 PolarHBondContact O-N 2.94Å; V99-A116 HydrophobicContact CG2-CB 4.15Å; V99-V261 HydrophobicContact CG1-CG2 4.24Å; V99-V261 HydrophobicContact CG2-CG2 3.79Å; V99-L263 HydrophobicContact CG1-CD1 4.39Å; V99-L263 HydrophobicContact CG1-CD2 3.85Å; V99-I280 HydrophobicContact CG1-CD1 3.96Å; V99-L363 HydrophobicContact CB-CD2 4.36Å; V99-L363 HydrophobicContact CG1-CD2 3.9Å; V99-L363 HydrophobicContact CG2-CD2 3.98Å; V99-M392 HydrophobicContact CB-CE 3.9Å; V99-M392 HydrophobicContact CG1-CE 3.65Å; V99-M392 HydrophobicContact CG1-SD 3.98Å
100C98.9Very high98.6Very high0 Ų027.9 Ų27.90%017%0.168CC..Hα-helixtrans-62.2-42.5173.8-61.50000112.1L96 K97 A103 Q104 W283 M392L96-C100 PolarHBondContact O-N 3.31Å; L96-C100 VanDerWaalsContact O-N 3.09Å; L96-C100 PolarHBondContact O-SG 3.14Å; K97-C100 HydrophobicContact CD-CB 4.4Å; K97-C100 WeakPolarHBondContact O-CB 3.32Å; K97-C100 PolarHBondContact O-N 2.88Å; C100-A103 PolarHBondContact O-N 3Å; C100-Q104 VanDerWaalsContact O-CG 3.27Å; C100-Q104 WeakPolarHBondContact O-CG 3.24Å; C100-Q104 PolarHBondContact O-N 3.01Å; C100-W283 HydrophobicContact CB-CG 4.27Å; C100-M392 WeakPolarHBondContact SG-CE 3.27Å
101L98.9Very high98.6Very high36 Ų3627.6 Ų27.619%0.18817%0.168CC..Hα-helixtrans-65.4-40.6178.2-71.3159.7000111.3I56 W86 C88 K97 A98 Q104 S105I56-L101 HydrophobicContact CD1-CB 4.14Å; I56-L101 HydrophobicContact CG2-CB 4.31Å; I56-L101 HydrophobicContact CG2-CD1 4.33Å; W86-L101 HydrophobicContact CH2-CB 4.26Å; W86-L101 HydrophobicContact CH2-CD1 3.77Å; W86-L101 HydrophobicContact CH2-CD2 4.31Å; W86-L101 HydrophobicContact CH2-CG 4.33Å; W86-L101 HydrophobicContact CZ3-CD1 4.12Å; C88-L101 HydrophobicContact CB-CD1 3.75Å; K97-L101 HydrophobicContact CD-CD1 4.32Å; K97-L101 HydrophobicContact CD-CG 4.28Å; K97-L101 HydrophobicContact CG-CD1 3.93Å; K97-L101 HydrophobicContact CG-CG 4.41Å; K97-L101 WeakPolarHBondContact O-CD1 3.33Å; K97-L101 VanDerWaalsContact O-CG 3.29Å; K97-L101 WeakPolarHBondContact O-CG 3.27Å; K97-L101 PolarHBondContact O-N 3.48Å; A98-L101 PolarHBondContact O-N 3.1Å; L101-Q104 WeakPolarHBondContact O-CB 3.37Å; L101-Q104 PolarHBondContact O-N 2.77Å; L101-S105 PolarHBondContact O-N 3.41Å
102A98.9Very high98.6Very high0 Ų028.7 Ų28.70%018%0.179CC..Hα-helixtrans-59.6-48.5172.400000111.5I56 A98 V99 Q104 S105 I106 V114 A116 L263I56-A102 HydrophobicContact CD1-CB 4.22Å; A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 2.95Å; V99-A102 PolarHBondContact O-N 2.83Å; A102-Q104 PolarHBondContact O-N 3.1Å; A102-S105 PolarHBondContact O-N 2.78Å; A102-S105 PolarHBondContact O-OG 2.89Å; A102-I106 WeakPolarHBondContact O-CG1 3.22Å; A102-I106 PolarHBondContact O-N 2.98Å; A102-V114 HydrophobicContact CB-CB 3.86Å; A102-V114 HydrophobicContact CB-CG1 3.43Å; A102-V114 VanDerWaalsContact CB-CG1 3.43Å; A102-V114 HydrophobicContact CB-CG2 4.47Å; A102-A116 HydrophobicContact CB-CB 3.78Å; A102-L263 HydrophobicContact CB-CD1 3.9Å; A102-L263 HydrophobicContact CB-CD2 4.01Å; A102-L263 HydrophobicContact CB-CG 4.46Å
103A98.8Very high98.6Very high2 Ų228.1 Ų28.12%0.01718%0.175CC..Hα-helixtrans-60.4-33.917600000112.7V8 V99 C100 G107 L263 I280 W283V8-A103 HydrophobicContact CB-CB 4.42Å; V8-A103 HydrophobicContact CG1-CB 4.23Å; V8-A103 HydrophobicContact CG2-CB 4.39Å; V99-A103 PolarHBondContact O-N 2.94Å; C100-A103 PolarHBondContact O-N 3Å; A103-G107 WeakPolarHBondContact O-CA 3.43Å; A103-G107 PolarHBondContact O-N 3.19Å; A103-L263 HydrophobicContact CB-CD2 4.49Å; A103-I280 HydrophobicContact CB-CD1 4.11Å; A103-W283 HydrophobicContact CB-CH2 4.11Å; A103-W283 HydrophobicContact CB-CZ3 4.06Å
104Q98.8Very high98.7Very high86 Ų8628.1 Ų28.140%0.40218%0.175SC..Hα-helixtrans-66.9-50174.5-72.3173.4-51.700112.1C100 L101 A102 I106 G107 I108 W283C100-Q104 VanDerWaalsContact O-CG 3.27Å; C100-Q104 WeakPolarHBondContact O-CG 3.24Å; C100-Q104 PolarHBondContact O-N 3.01Å; L101-Q104 WeakPolarHBondContact O-CB 3.37Å; L101-Q104 PolarHBondContact O-N 2.77Å; A102-Q104 PolarHBondContact O-N 3.1Å; Q104-I106 VanDerWaalsContact C-N 3.34Å; Q104-I106 PolarHBondContact O-N 3.45Å; Q104-G107 PolarHBondContact O-N 2.95Å; Q104-I108 WeakPolarHBondContact O-CG2 3.17Å; Q104-I108 PolarHBondContact O-N 3.43Å; Q104-W283 HydrophobicContact CG-CZ2 3.74Å
105S98.8Very high98.7Very high15 Ų1528.1 Ų28.111%0.10518%0.175CC..Hα-helixtrans-60.5-40.9178.566.80000112.6E54 L101 A102 I108 G109 D110 S111E54-S105 VanDerWaalsContact OE1-CB 3.29Å; E54-S105 WeakPolarHBondContact OE1-CB 3.46Å; E54-S105 PolarHBondContact OE1-OG 2.81Å; L101-S105 PolarHBondContact O-N 3.41Å; A102-S105 PolarHBondContact O-N 2.78Å; A102-S105 PolarHBondContact O-OG 2.89Å; S105-I108 WeakPolarHBondContact O-CG2 3.42Å; S105-G109 PolarHBondContact O-N 3.09Å; S105-D110 PolarHBondContact O-N 3.12Å; S105-S111 PolarHBondContact O-N 3.28Å
106I98.8Very high98.7Very high0 Ų028.1 Ų28.10%018%0.175CC..Hα-helixtrans-69.7-43.3176-66.1162.7000110.8V8 A102 Q104 I108 G109 S111 V114 L263 K265V8-I106 HydrophobicContact CG1-CD1 4.11Å; V8-I106 HydrophobicContact CG1-CG2 4.44Å; V8-I106 HydrophobicContact CG2-CB 4.09Å; V8-I106 HydrophobicContact CG2-CG2 3.77Å; A102-I106 WeakPolarHBondContact O-CG1 3.22Å; A102-I106 PolarHBondContact O-N 2.98Å; Q104-I106 VanDerWaalsContact C-N 3.34Å; Q104-I106 PolarHBondContact O-N 3.45Å; I106-I108 VanDerWaalsContact C-N 3.35Å; I106-I108 PolarHBondContact O-N 3.48Å; I106-G109 PolarHBondContact O-N 2.96Å; I106-S111 WeakPolarHBondContact CA-O 3.5Å; I106-V114 HydrophobicContact CD1-CB 4.06Å; I106-V114 HydrophobicContact CD1-CG2 3.82Å; I106-V114 HydrophobicContact CG1-CG2 3.78Å; I106-L263 HydrophobicContact CD1-CB 3.52Å; I106-K265 HydrophobicContact CG2-CD 4.47Å; I106-K265 HydrophobicContact CG2-CG 3.48Å; I106-K265 VanDerWaalsContact CG2-CG 3.48Å; I106-K265 WeakPolarHBondContact O-CE 3.39Å
107G97.2Very high98.7Very high49 Ų4928.1 Ų28.151%0.50518%0.175SC..Hα-helixtrans-62.1-40-178.800000113A103 Q104 G109A103-G107 WeakPolarHBondContact O-CA 3.43Å; A103-G107 PolarHBondContact O-N 3.19Å; Q104-G107 PolarHBondContact O-N 2.95Å; G107-G109 VanDerWaalsContact C-N 3.34Å
108I97.9Very high98.7Very high126 Ų12626.9 Ų26.965%0.64617%0.169SC*.Hα-helixtrans-80.3-15.5177.8-157.5168.5000113.1Q104 S105 I106 D110Q104-I108 WeakPolarHBondContact O-CG2 3.17Å; Q104-I108 PolarHBondContact O-N 3.43Å; S105-I108 WeakPolarHBondContact O-CG2 3.42Å; I106-I108 VanDerWaalsContact C-N 3.35Å; I106-I108 PolarHBondContact O-N 3.48Å; I108-D110 HydrophobicContact CG2-CB 4.16Å; I108-D110 VanDerWaalsContact CG2-OD2 3.31Å; I108-D110 WeakPolarHBondContact CG2-OD2 3.42Å
109G97.8Very high98.7Very high48 Ų4826.9 Ų26.950%0.49517%0.169SC..THydrogen-bonded Turntrans95.99.5174.500000115.3S105 I106 G107S105-G109 PolarHBondContact O-N 3.09Å; I106-G109 PolarHBondContact O-N 2.96Å; G107-G109 VanDerWaalsContact C-N 3.34Å
110D98.6Very high98.7Very high132 Ų13226.9 Ų26.971%0.70617%0.169SC*.SBendtrans-75.7-30.7178.1-68.1-23.8000112.2S105 I108S105-D110 PolarHBondContact O-N 3.12Å; I108-D110 HydrophobicContact CG2-CB 4.16Å; I108-D110 VanDerWaalsContact CG2-OD2 3.31Å; I108-D110 WeakPolarHBondContact CG2-OD2 3.42Å
111S98.8Very high98.7Very high14 Ų1427.1 Ų27.110%0.09817%0.17CC..  trans-126143.8-178.4-75.70000111.7E54 S105 I106E54-S111 PolarHBondContact OE1-OG 3.35Å; S105-S111 PolarHBondContact O-N 3.28Å; I106-S111 WeakPolarHBondContact CA-O 3.5Å
112S98.6Very high98.7Very high56 Ų5625.5 Ų25.539%0.39216%0.162SC..SBendtrans-96.2-49.9176.7178.80000111.6S53 M264S53-S112 PolarHBondContact OG-N 3.17Å; S112-M264 WeakPolarHBondContact O-CA 3.34Å
113I98.9Very high98.7Very high0 Ų026.4 Ų26.40%017%0.168CC..EExtended strand (participates in β ladder)trans-129.7127.8179.5-55.9-178.6000108.6V47 D51 S53 V262 L263 M264V47-I113 HydrophobicContact CG1-CD1 4.04Å; V47-I113 HydrophobicContact CG1-CG2 4.29Å; V47-I113 HydrophobicContact CG2-CD1 4.46Å; D51-I113 HydrophobicContact CB-CD1 4.15Å; S53-I113 VanDerWaalsContact CB-O 3.31Å; S53-I113 WeakPolarHBondContact CB-O 3.29Å; S53-I113 PolarHBondContact N-O 2.87Å; S53-I113 PolarHBondContact OG-N 2.83Å; S53-I113 PolarHBondContact OG-O 2.87Å; I113-V262 HydrophobicContact CG2-CG1 3.89Å; I113-L263 WeakPolarHBondContact CA-O 3.48Å; I113-M264 HydrophobicContact CD1-CE 3.92Å; I113-M264 HydrophobicContact CG1-CB 4.24Å; I113-M264 HydrophobicContact CG1-CE 4.04Å; I113-M264 HydrophobicContact CG2-CE 4.1Å
114V98.9Very high98.7Very high0 Ų030.8 Ų30.80%019%0.187CC..EExtended strand (participates in β ladder)trans-125.7132.6179.8-1780000109.7E54 I56 A102 I106 L263E54-V114 HydrophobicContact CG-CB 4.44Å; E54-V114 HydrophobicContact CG-CG1 3.92Å; E54-V114 HydrophobicContact CG-CG2 3.81Å; I56-V114 HydrophobicContact CD1-CG1 3.97Å; I56-V114 HydrophobicContact CG1-CG1 4.01Å; A102-V114 HydrophobicContact CB-CB 3.86Å; A102-V114 HydrophobicContact CB-CG1 3.43Å; A102-V114 VanDerWaalsContact CB-CG1 3.43Å; A102-V114 HydrophobicContact CB-CG2 4.47Å; I106-V114 HydrophobicContact CD1-CB 4.06Å; I106-V114 HydrophobicContact CD1-CG2 3.82Å; I106-V114 HydrophobicContact CG1-CG2 3.78Å; V114-L263 PolarHBondContact N-O 3.33Å; V114-L263 PolarHBondContact O-N 3.13Å
115V98.9Very high98.7Very high0 Ų027.4 Ų27.40%017%0.174CC..EExtended strand (participates in β ladder)trans-92.4116165.3-171.10000107.7I38 V41 L42 V52 E54 V55 I56 F57 V262I38-V115 HydrophobicContact CB-CG1 4.5Å; I38-V115 HydrophobicContact CG1-CG1 4.08Å; I38-V115 HydrophobicContact CG2-CG1 4.26Å; V41-V115 HydrophobicContact CG2-CG1 3.98Å; L42-V115 HydrophobicContact CD1-CG2 4.49Å; L42-V115 HydrophobicContact CD2-CG2 3.79Å; L42-V115 HydrophobicContact CG-CG2 4.18Å; V52-V115 HydrophobicContact CG1-CG2 4.01Å; V52-V115 HydrophobicContact CG2-CG2 4Å; E54-V115 PolarHBondContact O-N 3.48Å; V55-V115 WeakPolarHBondContact CA-O 3.43Å; V55-V115 HydrophobicContact CG2-CB 4.36Å; I56-V115 PolarHBondContact N-O 2.93Å; F57-V115 HydrophobicContact CE2-CG1 4.14Å; V115-V262 HydrophobicContact CG2-CG2 4.49Å
116A98.9Very high98.7Very high0 Ų028.7 Ų28.70%018%0.182CC..EExtended strand (participates in β ladder)trans-117.6151.8179.500000111.1I56 V99 A102 A260 V261 L263I56-A116 CarbonylContact O-C 3.59Å; I56-A116 VanDerWaalsContact O-CA 3.22Å; I56-A116 WeakPolarHBondContact O-CA 3.43Å; V99-A116 HydrophobicContact CG2-CB 4.15Å; A102-A116 HydrophobicContact CB-CB 3.78Å; A116-A260 CarbonylContact O-C 3.53Å; A116-A260 VanDerWaalsContact O-CA 3.32Å; A116-A260 WeakPolarHBondContact O-CA 3.47Å; A116-V261 HydrophobicContact CB-CG2 4.16Å; A116-V261 PolarHBondContact N-O 2.74Å; A116-V261 WeakPolarHBondContact O-CG2 3.5Å; A116-V261 PolarHBondContact O-N 3.22Å; A116-L263 HydrophobicContact CB-CD1 3.53Å
117G98.9Very high98.7Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans177.1-156.4179.700000114.2I56 F57 G58 G95 A98 A259I56-G117 PolarHBondContact O-N 3.3Å; I56-G117 VanDerWaalsContact O-N 3.1Å; F57-G117 CarbonylContact C-O 3.47Å; F57-G117 WeakPolarHBondContact CA-O 3.38Å; G58-G117 PolarHBondContact N-O 3.14Å; G95-G117 WeakPolarHBondContact CA-O 3.48Å; A98-G117 VanDerWaalsContact CB-O 3.24Å; A98-G117 WeakPolarHBondContact CB-O 3.18Å; G117-A259 CarbonylContact C-O 3.57Å; G117-A259 WeakPolarHBondContact CA-O 3.17Å
118G98.9Very high98.7Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-156.8157169.500000111.7G58 A258 A259 G356 A357G58-G118 CarbonylContact O-C 3.55Å; G58-G118 WeakPolarHBondContact O-CA 3.46Å; G118-A258 CarbonylContact O-C 3.59Å; G118-A258 VanDerWaalsContact O-CA 3.27Å; G118-A258 WeakPolarHBondContact O-CA 3.26Å; G118-A259 PolarHBondContact N-O 3.16Å; G118-A259 PolarHBondContact O-N 3.25Å; G118-G356 WeakPolarHBondContact CA-O 3.42Å; G118-A357 WeakPolarHBondContact O-CB 3.17Å
119M98.9Very high98.8Very high0 Ų030.1 Ų30.10%018%0.18CC..EExtended strand (participates in β ladder)trans-145.6141.8-178.959.5-172.9-166.600110V30 F57 G58 H59 P69 V70 A73 A258V30-M119 HydrophobicContact CG2-CB 3.8Å; V30-M119 HydrophobicContact CG2-CG 3.71Å; V30-M119 HydrophobicContact CG2-SD 4.24Å; F57-M119 HydrophobicContact CD1-CB 4.32Å; F57-M119 HydrophobicContact CD1-CG 4.08Å; F57-M119 HydrophobicContact CD1-SD 4.17Å; G58-M119 PolarHBondContact O-N 3.27Å; H59-M119 HydrophobicContact CB-CG 4.47Å; H59-M119 PolarHBondContact ND1-O 2.93Å; P69-M119 HydrophobicContact CB-CE 3.75Å; V70-M119 HydrophobicContact CB-CE 4.46Å; V70-M119 HydrophobicContact CG2-CE 3.77Å; A73-M119 HydrophobicContact CB-CE 4.46Å; A73-M119 HydrophobicContact CB-SD 4.08Å; M119-A258 HydrophobicContact CB-CB 3.77Å
120E98.9Very high98.8Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-149.3139.3174-15468.6-93.600110.1H59 V60 L61 M122 D256 G257 P354 L355 G356H59-E120 IonicContact CE1-OE1 2.77Å; H59-E120 PolarHBondContact CE1-OE1 2.75Å; H59-E120 IonicContact ND1-OE1 3.53Å; H59-E120 PolarHBondContact ND1-OE1 2.91Å; H59-E120 IonicContact ND1-OE2 3.87Å; V60-E120 VanDerWaalsContact CB-OE2 3.23Å; V60-E120 WeakPolarHBondContact CB-OE2 3.46Å; V60-E120 PolarHBondContact N-OE2 3.4Å; L61-E120 PolarHBondContact N-OE1 2.99Å; L61-E120 VanDerWaalsContact N-OE1 3.12Å; E120-M122 HydrophobicContact CG-CG 3.7Å; E120-D256 WeakPolarHBondContact O-CA 3.41Å; E120-G257 PolarHBondContact N-O 2.9Å; E120-G257 PolarHBondContact O-N 3.11Å; E120-G257 VanDerWaalsContact O-O 3.11Å; E120-P354 HydrophobicContact CB-CB 3.97Å; E120-L355 HydrophobicContact CG-CB 4.34Å; E120-G356 WeakPolarHBondContact OE2-CA 3.37Å; E120-G356 PolarHBondContact OE2-N 2.84Å
121N98.9Very high98.8Very high5 Ų534.6 Ų34.63%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-128.193.5162.7-171.3-45.1000107.3L25 V28 V30 L33 S123 K124 D256L25-N121 PolarHBondContact O-ND2 3.36Å; V28-N121 PolarHBondContact O-ND2 2.63Å; V30-N121 HydrophobicContact CB-CB 3.97Å; V30-N121 HydrophobicContact CG2-CB 4.41Å; L33-N121 HydrophobicContact CD1-CB 4.42Å; N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 WeakPolarHBondContact OD1-CB 3.49Å; N121-S123 PolarHBondContact OD1-N 3.45Å; N121-K124 HydrophobicContact CB-CB 4.32Å; N121-K124 PolarHBondContact O-N 2.78Å; N121-K124 WeakPolarHBondContact OD1-CG 3.39Å; N121-K124 PolarHBondContact OD1-N 3.1Å; N121-D256 VanDerWaalsContact C-OD1 3.31Å; N121-D256 WeakPolarHBondContact CA-OD1 3.37Å; N121-D256 PolarHBondContact OD1-OD1 3.24Å
122M98.9Very high98.7Very high2 Ų246.1 Ų46.11%0.0123%0.229CC..G310 helixtrans-71-29.7-179.2-59.5-177.576.100110.8L61 E120 K124 A125 I146 I254 N255 D256 L355L61-M122 HydrophobicContact CD1-CB 4.42Å; L61-M122 HydrophobicContact CD1-CE 4.26Å; L61-M122 HydrophobicContact CD1-CG 4.08Å; E120-M122 HydrophobicContact CG-CG 3.7Å; M122-K124 PolarHBondContact O-N 3.32Å; M122-A125 VanDerWaalsContact O-CB 3.26Å; M122-A125 WeakPolarHBondContact O-CB 3.46Å; M122-A125 PolarHBondContact O-N 2.89Å; M122-A125 VanDerWaalsContact O-N 3.15Å; M122-I146 HydrophobicContact CB-CD1 4.49Å; M122-I146 HydrophobicContact CE-CG2 3.59Å; M122-I146 VanDerWaalsContact O-CD1 3.29Å; M122-I146 WeakPolarHBondContact O-CD1 3.44Å; M122-I254 HydrophobicContact CB-CG2 3.5Å; M122-I254 VanDerWaalsContact CB-CG2 3.5Å; M122-I254 HydrophobicContact CE-CB 4.36Å; M122-I254 HydrophobicContact CE-CG1 4.17Å; M122-I254 HydrophobicContact CE-CG2 3.8Å; M122-I254 HydrophobicContact CG-CG2 4.24Å; M122-I254 HydrophobicContact SD-CB 4.43Å; M122-I254 HydrophobicContact SD-CG2 3.81Å; M122-N255 VanDerWaalsContact CG-O 3.22Å; M122-N255 WeakPolarHBondContact CG-O 3.34Å; M122-D256 PolarHBondContact N-OD1 3.43Å; M122-L355 HydrophobicContact CE-CD1 3.75Å; M122-L355 HydrophobicContact CE-CG 3.79Å; M122-L355 HydrophobicContact SD-CG 3.99Å
123S98.9Very high98.7Very high19 Ų1950.3 Ų50.313%0.13325%0.252CS..G310 helixtrans-61.2-25174.3-54.30000113.7N22 N121 D256N22-S123 PolarHBondContact N-OG 2.71Å; N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 WeakPolarHBondContact OD1-CB 3.49Å; N121-S123 PolarHBondContact OD1-N 3.45Å; S123-D256 VanDerWaalsContact CB-OD2 3.26Å; S123-D256 WeakPolarHBondContact CB-OD2 3.38Å; S123-D256 PolarHBondContact N-OD1 2.7Å; S123-D256 VanDerWaalsContact OG-CG 3.27Å; S123-D256 PolarHBondContact OG-OD1 3.26Å; S123-D256 PolarHBondContact OG-OD2 3.06Å
124K98.6Very high98.6Very high94 Ų9452.6 Ų52.641%0.40928%0.275SS..G310 helixtrans-95.2-0.1178.3-75.3-169.3173.5-55.40114.5A26 T27 V28 N121 M122A26-K124 WeakPolarHBondContact O-CE 3.31Å; A26-K124 WeakPolarHBondContact O-CG 3.48Å; A26-K124 PolarHBondContact O-NZ 3.12Å; A26-K124 VanDerWaalsContact O-NZ 3.13Å; T27-K124 WeakPolarHBondContact O-CE 3.47Å; T27-K124 PolarHBondContact O-NZ 2.95Å; V28-K124 VanDerWaalsContact C-CE 3.48Å; V28-K124 WeakPolarHBondContact O-CE 3.27Å; N121-K124 HydrophobicContact CB-CB 4.32Å; N121-K124 PolarHBondContact O-N 2.78Å; N121-K124 WeakPolarHBondContact OD1-CG 3.39Å; N121-K124 PolarHBondContact OD1-N 3.1Å; M122-K124 PolarHBondContact O-N 3.32Å
125A98.8Very high98.5Very high16 Ų1656.1 Ų56.113%0.13230%0.297CS..PPolyproline II helixtrans-64.2126.3178.100000110.5L61 M122 I146L61-A125 HydrophobicContact CB-CB 4.41Å; L61-A125 HydrophobicContact CD1-CB 3.94Å; M122-A125 VanDerWaalsContact O-CB 3.26Å; M122-A125 WeakPolarHBondContact O-CB 3.46Å; M122-A125 PolarHBondContact O-N 2.89Å; M122-A125 VanDerWaalsContact O-N 3.15Å; A125-I146 HydrophobicContact CB-CD1 4.08Å; A125-I146 HydrophobicContact CB-CG1 3.44Å; A125-I146 VanDerWaalsContact CB-CG1 3.44Å
126P98.8Very high98.4Very high42 Ų4265.9 Ų65.927%0.27334%0.339SS..PPolyproline II helixtrans-81.8164.7-174.334-36.5000112.4A63 L128 S145A63-P126 HydrophobicContact CB-CG 3.79Å; A63-P126 WeakPolarHBondContact O-CD 3.37Å; P126-L128 HydrophobicContact CG-CD2 4.33Å; P126-S145 VanDerWaalsContact O-CB 3.22Å; P126-S145 WeakPolarHBondContact O-CB 3.23Å; P126-S145 PolarHBondContact O-N 3.13Å; P126-S145 PolarHBondContact O-OG 3.03Å
127H98.9Very high98.3Very high115 Ų11573.1 Ų73.153%0.53238%0.376SS..EExtended strand (participates in β ladder)trans-79.1154.8157.4-71.656.9000110.3L142 T143H127-L142 HydrophobicContact CB-CB 4.28Å; H127-L142 PolarHBondContact CD2-O 3.02Å; H127-T143 CarbonylContact C-O 3.55Å; H127-T143 VanDerWaalsContact CA-O 3.27Å; H127-T143 WeakPolarHBondContact CA-O 3.14Å
128L98.8Very high98.2Very high50 Ų5076.1 Ų76.126%0.26241%0.407SS..EExtended strand (participates in β ladder)trans-117140.4-175.6-53.5178.8000111.3A63 P126 L142 T143A63-L128 HydrophobicContact CB-CD2 4.36Å; P126-L128 HydrophobicContact CG-CD2 4.33Å; L128-L142 WeakPolarHBondContact O-CA 3.18Å; L128-T143 PolarHBondContact N-O 2.83Å; L128-T143 PolarHBondContact O-N 3.36Å
129A98.4Very high98.1Very high39 Ų3985 Ų8532%0.32245%0.448SS..  trans-138132.1174.300000111.1L131 M140 L142A129-L131 HydrophobicContact CB-CG 4.2Å; A129-L131 PolarHBondContact O-N 2.9Å; A129-M140 HydrophobicContact CB-CE 4.17Å; A129-M140 HydrophobicContact CB-SD 4.35Å; A129-L142 HydrophobicContact CB-CD2 3.96Å
130H98.1Very high98.1Very high158 Ų15888.1 Ų88.173%0.73146%0.464SS*.  trans-90.581.3-179.5-70-78.4000112
131L98.1Very high98Very high116 Ų11691.9 Ų91.961%0.60749%0.488SS*.  trans-89.7-17.9-173.3-64.6171.8000115.4A129 T133 G134 M140A129-L131 HydrophobicContact CB-CG 4.2Å; A129-L131 PolarHBondContact O-N 2.9Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.89Å; L131-G134 PolarHBondContact O-N 2.88Å; L131-M140 HydrophobicContact CD2-CE 3.38Å; L131-M140 HydrophobicContact CD2-SD 3.61Å; L131-M140 HydrophobicContact CG-CE 4.42Å; L131-M140 HydrophobicContact CG-SD 4.41Å
132R98.3Very high98Very high257 Ų25797.4 Ų97.497%0.9752%0.517SS*.THydrogen-bonded Turntrans-62.1-36-167.8-66.6-173.1-172-87.70.4113.9
133T97.9Very high98Very high143 Ų14399.6 Ų99.688%0.87753%0.531SS*.THydrogen-bonded Turntrans-78.4-24.3176.5-520000112.1L131L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.89Å
134G96.4Very high98Very high48 Ų48100.8 Ų100.850%0.49554%0.536SS..  trans75.3146.7-169.400000112.9L131L131-G134 PolarHBondContact O-N 2.88Å
135V96.9Very high98Very high75 Ų7596.3 Ų96.346%0.45552%0.516SS..  trans-101.7106.7177.1-179.20000108.2G138 M140V135-G138 WeakPolarHBondContact CG1-O 3.41Å; V135-M140 HydrophobicContact CG2-CB 3.88Å; V135-M140 HydrophobicContact CG2-CG 4.27Å; V135-M140 HydrophobicContact CG2-SD 3.83Å
136K97.3Very high98Very high205 Ų20595.9 Ų95.989%0.89151%0.511SS*.SBendtrans-64.2-44.2-177.6-174.2179.469.9179.50112.4
137I96.1Very high98Very high152 Ų15297.4 Ų97.478%0.77952%0.517SS*.SBendtrans-164.3139.2176-173.1168000107.6
138G97.4Very high98Very high62 Ų6294.9 Ų94.964%0.63951%0.511SS*.SBendtrans120.1177.1179.300000114V135V135-G138 WeakPolarHBondContact CG1-O 3.41Å
139E97.7Very high98Very high186 Ų18696 Ų9687%0.86952%0.518SS*.  trans-76152178.5-172.4177.1101.400111.7
140M98Very high98Very high67 Ų6794.4 Ų94.433%0.3351%0.505SS..  trans-135.4125.8167.8171.1-174.871.700109.2A129 L131 V135A129-M140 HydrophobicContact CB-CE 4.17Å; A129-M140 HydrophobicContact CB-SD 4.35Å; L131-M140 HydrophobicContact CD2-CE 3.38Å; L131-M140 HydrophobicContact CD2-SD 3.61Å; L131-M140 HydrophobicContact CG-CE 4.42Å; L131-M140 HydrophobicContact CG-SD 4.41Å; V135-M140 HydrophobicContact CG2-CB 3.88Å; V135-M140 HydrophobicContact CG2-CG 4.27Å; V135-M140 HydrophobicContact CG2-SD 3.83Å
141P97.7Very high98Very high78 Ų7887.9 Ų87.951%0.50648%0.476SS..  trans-73.6150.1-177.730.5-35.1000111.6
142L98.6Very high98Very high122 Ų12284.4 Ų84.464%0.63946%0.459SS*.  trans-94.996157-66.5178.8000107.2H127 L128 A129H127-L142 HydrophobicContact CB-CB 4.28Å; H127-L142 PolarHBondContact CD2-O 3.02Å; L128-L142 WeakPolarHBondContact O-CA 3.18Å; A129-L142 HydrophobicContact CB-CD2 3.96Å
143T98.8Very high98Very high47 Ų4772.3 Ų72.329%0.28841%0.414SS..EExtended strand (participates in β ladder)trans-79.6127.5-175.4-58.90000110.5H127 L128 S145 C148H127-T143 CarbonylContact C-O 3.55Å; H127-T143 VanDerWaalsContact CA-O 3.27Å; H127-T143 WeakPolarHBondContact CA-O 3.14Å; L128-T143 PolarHBondContact N-O 2.83Å; L128-T143 PolarHBondContact O-N 3.36Å; T143-S145 PolarHBondContact O-N 2.85Å; T143-C148 HydrophobicContact CG2-CB 3.68Å
144D98.8Very high98Very high45 Ų4570 Ų7024%0.24141%0.409CS..EExtended strand (participates in β ladder)trans-70.1119.4174.1-172.8-41.5000110.4I146 L147 C148D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 3.29Å; D144-I146 WeakPolarHBondContact OD1-CA 3.45Å; D144-I146 WeakPolarHBondContact OD1-CB 3.46Å; D144-I146 PolarHBondContact OD1-N 2.63Å; D144-L147 HydrophobicContact CB-CB 4.33Å; D144-L147 HydrophobicContact CB-CD1 4.21Å; D144-L147 HydrophobicContact CB-CG 4.2Å; D144-L147 PolarHBondContact O-N 2.96Å; D144-L147 PolarHBondContact OD1-N 3.23Å; D144-C148 VanDerWaalsContact O-CB 3.28Å; D144-C148 WeakPolarHBondContact O-CB 3.3Å; D144-C148 PolarHBondContact O-N 3.23Å
145S98.8Very high98.1Very high0 Ų074.6 Ų74.60%042%0.416CS..Hα-helixtrans-70.7-24.2-178.275.50000113.4L61 P126 T143 L147 D149L61-S145 WeakPolarHBondContact CD2-O 3.45Å; P126-S145 VanDerWaalsContact O-CB 3.22Å; P126-S145 WeakPolarHBondContact O-CB 3.23Å; P126-S145 PolarHBondContact O-N 3.13Å; P126-S145 PolarHBondContact O-OG 3.03Å; T143-S145 PolarHBondContact O-N 2.85Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-D149 WeakPolarHBondContact O-CB 3.32Å; S145-D149 PolarHBondContact O-N 2.82Å
146I98.8Very high98.2Very high6 Ų675.1 Ų75.13%0.03141%0.413CS..Iπ-helixtrans-62.8-47.6174.5-56.9174.8000109F21 L61 M122 A125 D144 G150 L151 I254F21-I146 HydrophobicContact CE2-CD1 3.63Å; F21-I146 HydrophobicContact CZ-CD1 3.81Å; L61-I146 HydrophobicContact CD1-CB 4.36Å; L61-I146 HydrophobicContact CD1-CG1 3.99Å; L61-I146 HydrophobicContact CD1-CG2 4.43Å; M122-I146 HydrophobicContact CB-CD1 4.49Å; M122-I146 HydrophobicContact CE-CG2 3.59Å; M122-I146 VanDerWaalsContact O-CD1 3.29Å; M122-I146 WeakPolarHBondContact O-CD1 3.44Å; A125-I146 HydrophobicContact CB-CD1 4.08Å; A125-I146 HydrophobicContact CB-CG1 3.44Å; A125-I146 VanDerWaalsContact CB-CG1 3.44Å; D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 3.29Å; D144-I146 WeakPolarHBondContact OD1-CA 3.45Å; D144-I146 WeakPolarHBondContact OD1-CB 3.46Å; D144-I146 PolarHBondContact OD1-N 2.63Å; I146-G150 CarbonylContact O-C 3.6Å; I146-G150 VanDerWaalsContact O-CA 3.28Å; I146-G150 WeakPolarHBondContact O-CA 3.37Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.1Å; I146-L151 HydrophobicContact CG2-CD1 3.69Å; I146-L151 HydrophobicContact CG2-CG 4.12Å; I146-L151 PolarHBondContact O-N 2.85Å; I146-I254 HydrophobicContact CD1-CG2 4.44Å; I146-I254 HydrophobicContact CG2-CD1 4.22Å
147L98.6Very high98.2Very high75 Ų7572 Ų7239%0.39341%0.406SS..Iπ-helixtrans-68.5-49.4178-62.6-177.5000110.9D144 S145 L151 T152D144-L147 HydrophobicContact CB-CB 4.33Å; D144-L147 HydrophobicContact CB-CD1 4.21Å; D144-L147 HydrophobicContact CB-CG 4.2Å; D144-L147 PolarHBondContact O-N 2.96Å; D144-L147 PolarHBondContact OD1-N 3.23Å; S145-L147 VanDerWaalsContact C-N 3.33Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 CarbonylContact O-C 3.6Å; L147-L151 PolarHBondContact O-N 3.35Å; L147-T152 WeakPolarHBondContact O-CB 3.34Å; L147-T152 PolarHBondContact O-N 3.41Å; L147-T152 PolarHBondContact O-OG1 3.17Å
148C98.4Very high98.3Very high61 Ų6167.2 Ų67.241%0.41238%0.379SS..Iπ-helixtrans-65-51.2-174.5179.40000112.7T143 D144T143-C148 HydrophobicContact CG2-CB 3.68Å; D144-C148 VanDerWaalsContact O-CB 3.28Å; D144-C148 WeakPolarHBondContact O-CB 3.3Å; D144-C148 PolarHBondContact O-N 3.23Å
149D98.3Very high98.4Very high74 Ų7466.5 Ų66.540%0.39636%0.358SS..Iπ-helixtrans-99.4-16.6-168.4-55.8-28.1000112.7L61 S145L61-D149 HydrophobicContact CD2-CB 3.91Å; S145-D149 WeakPolarHBondContact O-CB 3.32Å; S145-D149 PolarHBondContact O-N 2.82Å
150G98.1Very high98.4Very high6 Ų658.2 Ų58.26%0.06232%0.32CS..Iπ-helixtrans-112-46.5-175.700000114.9I146I146-G150 CarbonylContact O-C 3.6Å; I146-G150 VanDerWaalsContact O-CA 3.28Å; I146-G150 WeakPolarHBondContact O-CA 3.37Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.1Å
151L98.6Very high98.4Very high21 Ų2155 Ų5511%0.1130%0.304CS..Iπ-helixtrans-119.5-1.7-160.5-57.1-177.9000115.6I146 L147 H159 M160 I254 L355I146-L151 HydrophobicContact CG2-CD1 3.69Å; I146-L151 HydrophobicContact CG2-CG 4.12Å; I146-L151 PolarHBondContact O-N 2.85Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 CarbonylContact O-C 3.6Å; L147-L151 PolarHBondContact O-N 3.35Å; L151-H159 CarbonylContact O-C 3.54Å; L151-H159 WeakPolarHBondContact O-CA 3.24Å; L151-M160 WeakPolarHBondContact O-CG 3.16Å; L151-M160 PolarHBondContact O-N 2.85Å; L151-I254 HydrophobicContact CD1-CD1 4.28Å; L151-I254 HydrophobicContact CD1-CG1 4.33Å; L151-L355 HydrophobicContact CD2-CD1 4.39Å; L151-L355 HydrophobicContact CD2-CD2 4.19Å
152T98.7Very high98.5Very high43 Ų4352.9 Ų52.926%0.26429%0.288SS..BIsolated β-bridgetrans-105.4128.7176.6-55.90000110.3L147 A154 Y158L147-T152 WeakPolarHBondContact O-CB 3.34Å; L147-T152 PolarHBondContact O-N 3.41Å; L147-T152 PolarHBondContact O-OG1 3.17Å; T152-A154 PolarHBondContact O-N 2.85Å; T152-Y158 WeakPolarHBondContact CA-O 3.32Å
153D98.6Very high98.5Very high2 Ų247 Ų471%0.01126%0.258CS..  trans-68.8121.1176.4-172.568.4000109.8F155 H156 N157 Y158 M160 P290D153-F155 PolarHBondContact O-N 3.43Å; D153-F155 WeakPolarHBondContact OD2-CB 3.42Å; D153-F155 PolarHBondContact OD2-N 2.86Å; D153-F155 VanDerWaalsContact OD2-N 3.13Å; D153-H156 IonicContact OD2-CE1 3.13Å; D153-H156 IonicContact OD2-CG 3.91Å; D153-H156 PolarHBondContact OD2-N 2.88Å; D153-H156 IonicContact OD2-ND1 2.83Å; D153-H156 PolarHBondContact OD2-ND1 3.43Å; D153-N157 VanDerWaalsContact O-CA 3.28Å; D153-N157 WeakPolarHBondContact O-CA 3.39Å; D153-N157 PolarHBondContact O-N 3.01Å; D153-Y158 HydrophobicContact CB-CD2 4.1Å; D153-Y158 HydrophobicContact CB-CE2 3.95Å; D153-Y158 PolarHBondContact N-O 2.64Å; D153-M160 VanDerWaalsContact CA-CE 3.47Å; D153-M160 HydrophobicContact CB-CE 3.5Å; D153-M160 VanDerWaalsContact CB-CE 3.5Å; D153-P290 WeakPolarHBondContact OD1-CB 3.28Å
154A98.3Very high98.5Very high94 Ų9444.8 Ų44.878%0.77724%0.244SC*.THydrogen-bonded Turntrans-66.2-20.1-177.600000113.6T152T152-A154 PolarHBondContact O-N 2.85Å
155F98.4Very high98.5Very high145 Ų14543.2 Ų43.264%0.63624%0.235SC*.THydrogen-bonded Turntrans-94.2-33.8-175-52-74.1000112.9D153 P290D153-F155 PolarHBondContact O-N 3.43Å; D153-F155 WeakPolarHBondContact OD2-CB 3.42Å; D153-F155 PolarHBondContact OD2-N 2.86Å; D153-F155 VanDerWaalsContact OD2-N 3.13Å; F155-P290 HydrophobicContact CD2-CB 3.63Å; F155-P290 HydrophobicContact CD2-CG 3.44Å; F155-P290 VanDerWaalsContact CD2-CG 3.44Å; F155-P290 HydrophobicContact CE2-CB 4.25Å; F155-P290 HydrophobicContact CE2-CG 3.82Å; F155-P290 HydrophobicContact CG-CB 4.47Å; F155-P290 HydrophobicContact CG-CG 4.12Å
156H98.2Very high98.5Very high87 Ų8745.8 Ų45.840%0.40325%0.249SC..THydrogen-bonded Turntrans-113.7-5.9-177-54.785.3000113.9D153 Y158D153-H156 IonicContact OD2-CE1 3.13Å; D153-H156 IonicContact OD2-CG 3.91Å; D153-H156 PolarHBondContact OD2-N 2.88Å; D153-H156 IonicContact OD2-ND1 2.83Å; D153-H156 PolarHBondContact OD2-ND1 3.43Å; H156-Y158 HydrophobicContact CB-CD1 3.65Å; H156-Y158 HydrophobicContact CB-CD2 4.35Å; H156-Y158 HydrophobicContact CB-CE1 3.2Å; H156-Y158 HydrophobicContact CB-CE2 3.89Å; H156-Y158 HydrophobicContact CB-CG 4.21Å; H156-Y158 AromaticContact CG-CE1 3.82Å; H156-Y158 AromaticContact CG-CZ 3.64Å; H156-Y158 PolarHBondContact ND1-OH 2.93Å; H156-Y158 PolarHBondContact O-N 3.48Å
157N98.1Very high98.5Very high139 Ų13945.5 Ų45.574%0.74325%0.247SC*.  trans55.144.6177.5-16643.7000113.9D153D153-N157 VanDerWaalsContact O-CA 3.28Å; D153-N157 WeakPolarHBondContact O-CA 3.39Å; D153-N157 PolarHBondContact O-N 3.01Å
158Y98.1Very high98.5Very high51 Ų5142.1 Ų42.120%0.223%0.23CC..SBendtrans-134.2164.4172.254.4-131.4000111.6T152 D153 H156 I162 T163 S291T152-Y158 WeakPolarHBondContact CA-O 3.32Å; D153-Y158 HydrophobicContact CB-CD2 4.1Å; D153-Y158 HydrophobicContact CB-CE2 3.95Å; D153-Y158 PolarHBondContact N-O 2.64Å; H156-Y158 HydrophobicContact CB-CD1 3.65Å; H156-Y158 HydrophobicContact CB-CD2 4.35Å; H156-Y158 HydrophobicContact CB-CE1 3.2Å; H156-Y158 HydrophobicContact CB-CE2 3.89Å; H156-Y158 HydrophobicContact CB-CG 4.21Å; H156-Y158 AromaticContact CG-CE1 3.82Å; H156-Y158 AromaticContact CG-CZ 3.64Å; H156-Y158 PolarHBondContact ND1-OH 2.93Å; H156-Y158 PolarHBondContact O-N 3.48Å; Y158-I162 HydrophobicContact CD1-CB 4.36Å; Y158-I162 HydrophobicContact CD1-CG2 3.77Å; Y158-I162 HydrophobicContact CD2-CB 3.78Å; Y158-I162 HydrophobicContact CD2-CG2 3.98Å; Y158-I162 HydrophobicContact CE1-CG2 3.96Å; Y158-I162 HydrophobicContact CE2-CB 4.35Å; Y158-I162 HydrophobicContact CE2-CG2 4.26Å; Y158-I162 HydrophobicContact CG-CB 3.84Å; Y158-I162 HydrophobicContact CG-CG1 4.28Å; Y158-I162 HydrophobicContact CG-CG2 3.77Å; Y158-T163 HydrophobicContact CD2-CG2 4.34Å; Y158-T163 HydrophobicContact CE2-CG2 3.55Å; Y158-S291 VanDerWaalsContact OH-CA 3.24Å; Y158-S291 WeakPolarHBondContact OH-CA 3.32Å; Y158-S291 VanDerWaalsContact OH-CB 3.28Å; Y158-S291 WeakPolarHBondContact OH-CB 3.28Å
159H98.6Very high98.5Very high47 Ų4748 Ų4822%0.21825%0.249CC..BIsolated β-bridgetrans-64.7151.7177.4-161-76.6000112L151 G161 I162 F238L151-H159 CarbonylContact O-C 3.54Å; L151-H159 WeakPolarHBondContact O-CA 3.24Å; H159-G161 PolarHBondContact ND1-N 3.13Å; H159-G161 PolarHBondContact O-N 3.45Å; H159-I162 WeakPolarHBondContact O-CB 3.43Å; H159-I162 PolarHBondContact O-N 2.68Å; H159-F238 HydrophobicContact CB-CD1 3.98Å; H159-F238 HydrophobicContact CB-CE1 4.29Å; H159-F238 AromaticContact CD2-CE1 3.85Å; H159-F238 AromaticContact CE1-CE1 3.33Å; H159-F238 WeakPolarHBondContact CE1-CE1 3.42Å; H159-F238 AromaticContact CE1-CZ 3.79Å; H159-F238 AromaticContact CG-CD1 3.75Å; H159-F238 AromaticContact CG-CE1 3.55Å; H159-F238 AromaticContact ND1-CD1 3.71Å; H159-F238 AromaticContact ND1-CE1 3.2Å; H159-F238 WeakPolarHBondContact ND1-CE1 3.35Å; H159-F238 AromaticContact ND1-CZ 3.87Å; H159-F238 AromaticContact NE2-CE1 3.71Å
160M98.5Very high98.5Very high13 Ų1350.4 Ų50.46%0.06426%0.256CS..Hα-helixtrans-51.9-24170-66.8-55.994.200113.8L151 D153 I162 T163 A164 M293 F324L151-M160 WeakPolarHBondContact O-CG 3.16Å; L151-M160 PolarHBondContact O-N 2.85Å; D153-M160 VanDerWaalsContact CA-CE 3.47Å; D153-M160 HydrophobicContact CB-CE 3.5Å; D153-M160 VanDerWaalsContact CB-CE 3.5Å; M160-I162 VanDerWaalsContact C-N 3.27Å; M160-I162 PolarHBondContact O-N 3.44Å; M160-T163 WeakPolarHBondContact O-CB 3.4Å; M160-T163 PolarHBondContact O-N 2.83Å; M160-T163 VanDerWaalsContact O-N 3.1Å; M160-T163 PolarHBondContact O-OG1 2.88Å; M160-A164 PolarHBondContact O-N 3.09Å; M160-M293 HydrophobicContact CB-CE 4.17Å; M160-M293 HydrophobicContact CG-CE 4.28Å; M160-M293 HydrophobicContact SD-CE 3.8Å; M160-M293 HydrophobicContact SD-CG 4.29Å; M160-F324 HydrophobicContact CB-CE2 4.06Å; M160-F324 HydrophobicContact CB-CZ 4.23Å
161G98.3Very high98.5Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-67.8-29.8178.200000112H159 T163 A164 E165H159-G161 PolarHBondContact ND1-N 3.13Å; H159-G161 PolarHBondContact O-N 3.45Å; G161-T163 VanDerWaalsContact C-N 3.34Å; G161-A164 WeakPolarHBondContact O-CB 3.24Å; G161-A164 PolarHBondContact O-N 3.22Å; G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 2.59Å
162I98.8Very high98.5Very high32 Ų3258.6 Ų58.616%0.16429%0.29CS..Hα-helixtrans-68.4-34.8172.2-60.2-58.6000111Y158 H159 M160 A164 E165 N166 F238 L239Y158-I162 HydrophobicContact CD1-CB 4.36Å; Y158-I162 HydrophobicContact CD1-CG2 3.77Å; Y158-I162 HydrophobicContact CD2-CB 3.78Å; Y158-I162 HydrophobicContact CD2-CG2 3.98Å; Y158-I162 HydrophobicContact CE1-CG2 3.96Å; Y158-I162 HydrophobicContact CE2-CB 4.35Å; Y158-I162 HydrophobicContact CE2-CG2 4.26Å; Y158-I162 HydrophobicContact CG-CB 3.84Å; Y158-I162 HydrophobicContact CG-CG1 4.28Å; Y158-I162 HydrophobicContact CG-CG2 3.77Å; H159-I162 WeakPolarHBondContact O-CB 3.43Å; H159-I162 PolarHBondContact O-N 2.68Å; M160-I162 VanDerWaalsContact C-N 3.27Å; M160-I162 PolarHBondContact O-N 3.44Å; I162-A164 VanDerWaalsContact C-N 3.26Å; I162-A164 PolarHBondContact O-N 3.36Å; I162-E165 PolarHBondContact O-N 3.16Å; I162-N166 PolarHBondContact O-N 2.97Å; I162-N166 PolarHBondContact O-ND2 2.91Å; I162-N166 PolarHBondContact O-OD1 3.42Å; I162-F238 HydrophobicContact CD1-CB 3.96Å; I162-F238 WeakPolarHBondContact CD1-O 3.42Å; I162-L239 HydrophobicContact CD1-CB 4.18Å
163T98.7Very high98.5Very high0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-64.4-34.2172.575.10000111.9Y158 M160 G161 N166 V167 S291 M293Y158-T163 HydrophobicContact CD2-CG2 4.34Å; Y158-T163 HydrophobicContact CE2-CG2 3.55Å; M160-T163 WeakPolarHBondContact O-CB 3.4Å; M160-T163 PolarHBondContact O-N 2.83Å; M160-T163 VanDerWaalsContact O-N 3.1Å; M160-T163 PolarHBondContact O-OG1 2.88Å; G161-T163 VanDerWaalsContact C-N 3.34Å; T163-N166 WeakPolarHBondContact O-CB 3.32Å; T163-N166 PolarHBondContact O-N 2.9Å; T163-V167 WeakPolarHBondContact O-CG2 3.45Å; T163-V167 PolarHBondContact O-N 3.02Å; T163-S291 WeakPolarHBondContact CA-O 3.44Å; T163-M293 HydrophobicContact CG2-CG 4.26Å; T163-M293 WeakPolarHBondContact OG1-CE 3.25Å
164A98.8Very high98.5Very high0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-68.1-39.7174.500000111.7M160 G161 I162 N166 V167 A168 V246 F324 A326 L327M160-A164 PolarHBondContact O-N 3.09Å; G161-A164 WeakPolarHBondContact O-CB 3.24Å; G161-A164 PolarHBondContact O-N 3.22Å; I162-A164 VanDerWaalsContact C-N 3.26Å; I162-A164 PolarHBondContact O-N 3.36Å; A164-N166 VanDerWaalsContact C-N 3.35Å; A164-V167 PolarHBondContact O-N 3.47Å; A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 2.93Å; A164-V246 HydrophobicContact CB-CG2 3.94Å; A164-F324 HydrophobicContact CB-CB 3.72Å; A164-F324 HydrophobicContact CB-CD1 4Å; A164-F324 HydrophobicContact CB-CD2 3.7Å; A164-F324 HydrophobicContact CB-CE2 4.33Å; A164-F324 HydrophobicContact CB-CG 3.52Å; A164-A326 HydrophobicContact CB-CB 4.45Å; A164-L327 HydrophobicContact CB-CD2 4.33Å; A164-L327 HydrophobicContact CB-CG 4.44Å
165E98.8Very high98.5Very high11 Ų1157.1 Ų57.15%0.05127%0.268CS..Hα-helixtrans-62-41171.9-63.4-71.6-172.200111.9G161 I162 V167 A168 K169 L239 G244 T245 V246G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 2.59Å; I162-E165 PolarHBondContact O-N 3.16Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.94Å; E165-A168 PolarHBondContact O-N 3.2Å; E165-K169 WeakPolarHBondContact O-CB 3.45Å; E165-K169 PolarHBondContact O-N 3.02Å; E165-L239 HydrophobicContact CB-CD2 4.34Å; E165-L239 HydrophobicContact CG-CB 4Å; E165-L239 HydrophobicContact CG-CD2 4.27Å; E165-G244 WeakPolarHBondContact OE1-CA 3.45Å; E165-T245 VanDerWaalsContact CD-N 3.3Å; E165-T245 PolarHBondContact OE1-N 2.93Å; E165-T245 PolarHBondContact OE2-N 3.5Å; E165-T245 PolarHBondContact OE2-OG1 3.38Å; E165-V246 HydrophobicContact CG-CG2 4.04Å; E165-V246 WeakPolarHBondContact OE1-CB 3.3Å; E165-V246 PolarHBondContact OE1-N 2.89Å
166N98.8Very high98.5Very high54 Ų5455.6 Ų55.629%0.28926%0.263SS..Hα-helixtrans-60-44175.8-67-23.6000111.6I162 T163 A164 K170 S291 I292I162-N166 PolarHBondContact O-N 2.97Å; I162-N166 PolarHBondContact O-ND2 2.91Å; I162-N166 PolarHBondContact O-OD1 3.42Å; T163-N166 WeakPolarHBondContact O-CB 3.32Å; T163-N166 PolarHBondContact O-N 2.9Å; A164-N166 VanDerWaalsContact C-N 3.35Å; N166-K170 WeakPolarHBondContact O-CB 3.27Å; N166-K170 PolarHBondContact O-N 2.96Å; N166-S291 WeakPolarHBondContact CB-O 3.39Å; N166-S291 PolarHBondContact ND2-O 3.39Å; N166-I292 HydrophobicContact CB-CG2 4.24Å
167V98.8Very high98.5Very high0 Ų054.3 Ų54.30%026%0.259CS..Hα-helixtrans-66.8-45.2176.1171.90000110.8T163 A164 E165 K169 K170 W171 I292 I295 L327 A330T163-V167 WeakPolarHBondContact O-CG2 3.45Å; T163-V167 PolarHBondContact O-N 3.02Å; A164-V167 PolarHBondContact O-N 3.47Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.94Å; V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.44Å; V167-K170 PolarHBondContact O-N 2.79Å; V167-W171 HydrophobicContact CG1-CE3 4.02Å; V167-W171 PolarHBondContact O-N 3.28Å; V167-I292 HydrophobicContact CG2-CB 3.88Å; V167-I292 HydrophobicContact CG2-CG2 3.99Å; V167-I295 HydrophobicContact CG1-CG2 3.98Å; V167-I295 HydrophobicContact CG2-CG2 3.95Å; V167-L327 HydrophobicContact CB-CD2 3.62Å; V167-L327 HydrophobicContact CG1-CD2 3.69Å; V167-L327 HydrophobicContact CG2-CD2 3.67Å; V167-A330 HydrophobicContact CG1-CB 3.64Å
168A98.8Very high98.6Very high5 Ų547.7 Ų47.74%0.04122%0.223CC..Hα-helixtrans-55.5-46.9177.400000111.1A164 E165 Q172 V173 A326A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 2.93Å; E165-A168 PolarHBondContact O-N 3.2Å; A168-Q172 CarbonylContact O-C 3.57Å; A168-Q172 WeakPolarHBondContact O-CA 3.43Å; A168-Q172 PolarHBondContact O-N 3.15Å; A168-V173 HydrophobicContact CB-CB 4.39Å; A168-V173 PolarHBondContact O-N 2.89Å; A168-A326 HydrophobicContact CB-CB 3.92Å
169K98.6Very high98.6Very high183 Ų18345.4 Ų45.480%0.79622%0.215SC*.Hα-helixtrans-62.4-47.2176.1-172.6177.2-177.2174.80112.4E165 V167E165-K169 WeakPolarHBondContact O-CB 3.45Å; E165-K169 PolarHBondContact O-N 3.02Å; V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.44Å
170K98.4Very high98.6Very high125 Ų12548 Ų4854%0.54323%0.225SC..Hα-helixtrans-71.6-37.5-175.3-176168.7173.8-178.10113N166 V167N166-K170 WeakPolarHBondContact O-CB 3.27Å; N166-K170 PolarHBondContact O-N 2.96Å; V167-K170 PolarHBondContact O-N 2.79Å
171W98.4Very high98.6Very high39 Ų3948.8 Ų48.815%0.14823%0.231CC..Hα-helixtrans-92.91.3178.6-90.1-97.3000114.4V167 V173 I295 A330 K333 E334V167-W171 HydrophobicContact CG1-CE3 4.02Å; V167-W171 PolarHBondContact O-N 3.28Å; W171-V173 HydrophobicContact CB-CG2 3.99Å; W171-I295 HydrophobicContact CE3-CG2 4.17Å; W171-I295 HydrophobicContact CH2-CB 4.37Å; W171-I295 HydrophobicContact CH2-CD1 4.47Å; W171-I295 HydrophobicContact CH2-CG1 4.38Å; W171-I295 HydrophobicContact CH2-CG2 3.75Å; W171-I295 HydrophobicContact CZ2-CG2 4.16Å; W171-I295 HydrophobicContact CZ3-CG2 3.74Å; W171-A330 HydrophobicContact CB-CB 3.83Å; W171-A330 HydrophobicContact CD2-CB 4.26Å; W171-A330 HydrophobicContact CG-CB 3.74Å; W171-K333 PolarHBondContact O-NZ 2.96Å; W171-E334 PolarHBondContact NE1-OE2 2.75Å
172Q98.4Very high98.7Very high160 Ų16048.8 Ų48.875%0.74823%0.231SC*.THydrogen-bonded Turntrans56.748.8-178.8-54.5173.83.900111.5A168A168-Q172 CarbonylContact O-C 3.57Å; A168-Q172 WeakPolarHBondContact O-CA 3.43Å; A168-Q172 PolarHBondContact O-N 3.15Å
173V98.6Very high98.7Very high7 Ų748.3 Ų48.34%0.04223%0.229CC..  trans-91.2110.3175.7-174.80000108.3A168 W171 D177 Q178 V329 A330A168-V173 HydrophobicContact CB-CB 4.39Å; A168-V173 PolarHBondContact O-N 2.89Å; W171-V173 HydrophobicContact CB-CG2 3.99Å; V173-D177 HydrophobicContact CG1-CB 3.99Å; V173-Q178 HydrophobicContact CG1-CG 3.8Å; V173-V329 HydrophobicContact CB-CG1 4.4Å; V173-V329 HydrophobicContact CG1-CB 3.68Å; V173-V329 HydrophobicContact CG1-CG1 3.68Å; V173-V329 HydrophobicContact CG1-CG2 3.99Å; V173-V329 HydrophobicContact CG2-CB 4.13Å; V173-V329 HydrophobicContact CG2-CG1 3.9Å; V173-A330 HydrophobicContact CG2-CB 4.31Å
174S98.6Very high98.7Very high49 Ų4951.9 Ų51.934%0.34325%0.248SC..  trans-71.4162.6-178.373.20000111.8E176 D177 Q178S174-E176 PolarHBondContact O-N 2.96Å; S174-E176 PolarHBondContact OG-N 2.78Å; S174-D177 WeakPolarHBondContact CB-OD2 3.35Å; S174-D177 PolarHBondContact N-OD2 2.87Å; S174-D177 VanDerWaalsContact N-OD2 3.13Å; S174-D177 PolarHBondContact O-N 2.87Å; S174-D177 PolarHBondContact OG-N 3Å; S174-D177 VanDerWaalsContact OG-N 3.09Å; S174-D177 PolarHBondContact OG-OD2 3.1Å; S174-Q178 WeakPolarHBondContact O-CG 3.07Å; S174-Q178 PolarHBondContact O-N 3.21Å; S174-Q178 VanDerWaalsContact O-N 3.17Å
175R98.6Very high98.7Very high53 Ų5352 Ų5220%0.225%0.249CC..Hα-helixtrans-55.3-40.7169.7170.460.1-173.9-80.1-8.3111.9Q178 D179 M231 S232 L234 T245R175-Q178 WeakPolarHBondContact O-CB 3.44Å; R175-Q178 PolarHBondContact O-N 2.92Å; R175-D179 IonicContact CZ-OD1 3.4Å; R175-D179 IonicContact CZ-OD2 2.78Å; R175-D179 VanDerWaalsContact NE-CG 3.26Å; R175-D179 IonicContact NE-OD1 3.21Å; R175-D179 PolarHBondContact NE-OD1 3.11Å; R175-D179 IonicContact NE-OD2 2.79Å; R175-D179 PolarHBondContact NE-OD2 3.26Å; R175-D179 IonicContact NH2-OD2 2.93Å; R175-D179 PolarHBondContact NH2-OD2 2.69Å; R175-D179 PolarHBondContact O-N 2.88Å; R175-M231 PolarHBondContact NH2-O 2.85Å; R175-S232 PolarHBondContact NH2-O 2.69Å; R175-L234 PolarHBondContact NH1-O 3.15Å; R175-L234 PolarHBondContact NH2-O 3.37Å; R175-T245 HydrophobicContact CB-CG2 4.24Å; R175-T245 WeakPolarHBondContact CD-O 3.47Å
176E98.6Very high98.7Very high113 Ų11351.4 Ų51.453%0.52825%0.246SC..Hα-helixtrans-65.4-40.4-179.9-168.8-172.4156.800111.7S174 Q178 D179 K180S174-E176 PolarHBondContact O-N 2.96Å; S174-E176 PolarHBondContact OG-N 2.78Å; E176-Q178 VanDerWaalsContact C-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.02Å; E176-D179 PolarHBondContact O-N 3.36Å; E176-K180 HydrophobicContact CG-CD 4.38Å; E176-K180 WeakPolarHBondContact O-CB 3.44Å; E176-K180 VanDerWaalsContact O-CG 3.28Å; E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 2.86Å; E176-K180 WeakPolarHBondContact OE1-CE 3.26Å; E176-K180 IonicContact OE1-NZ 2.66Å; E176-K180 PolarHBondContact OE1-NZ 2.87Å
177D98.6Very high98.7Very high59 Ų5951.5 Ų51.532%0.31625%0.247SC..Hα-helixtrans-62.9-40176-60.8-42.4000111.6V173 S174 K180 V181 V329V173-D177 HydrophobicContact CG1-CB 3.99Å; S174-D177 WeakPolarHBondContact CB-OD2 3.35Å; S174-D177 PolarHBondContact N-OD2 2.87Å; S174-D177 VanDerWaalsContact N-OD2 3.13Å; S174-D177 PolarHBondContact O-N 2.87Å; S174-D177 PolarHBondContact OG-N 3Å; S174-D177 VanDerWaalsContact OG-N 3.09Å; S174-D177 PolarHBondContact OG-OD2 3.1Å; D177-K180 PolarHBondContact O-N 3.39Å; D177-V181 PolarHBondContact O-N 3.19Å; D177-V181 VanDerWaalsContact O-N 3.13Å; D177-V329 HydrophobicContact CB-CG2 4.49Å
178Q98.8Very high98.7Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-63.4-48.3176.9-67.8178.957.100111.6V173 S174 R175 E176 K180 V181 A182 T245 N250 A325 A326V173-Q178 HydrophobicContact CG1-CG 3.8Å; S174-Q178 WeakPolarHBondContact O-CG 3.07Å; S174-Q178 PolarHBondContact O-N 3.21Å; S174-Q178 VanDerWaalsContact O-N 3.17Å; R175-Q178 WeakPolarHBondContact O-CB 3.44Å; R175-Q178 PolarHBondContact O-N 2.92Å; E176-Q178 VanDerWaalsContact C-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.02Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 3.1Å; Q178-V181 PolarHBondContact O-N 3.43Å; Q178-A182 WeakPolarHBondContact O-CB 3.38Å; Q178-A182 PolarHBondContact O-N 2.68Å; Q178-T245 VanDerWaalsContact NE2-CB 3.3Å; Q178-T245 PolarHBondContact NE2-OG1 3.37Å; Q178-N250 HydrophobicContact CB-CB 4.19Å; Q178-A325 HydrophobicContact CB-CB 3.84Å; Q178-A325 HydrophobicContact CG-CB 4.21Å; Q178-A325 VanDerWaalsContact O-CB 3.32Å; Q178-A325 WeakPolarHBondContact O-CB 3.42Å; Q178-A326 HydrophobicContact CG-CB 4.19Å
179D98.8Very high98.7Very high3 Ų353.4 Ų53.42%0.01625%0.253CS..Hα-helixtrans-67.2-35.3-179.4-68.5-3000111.2R175 E176 A182 V183 I228 M231 N250R175-D179 IonicContact CZ-OD1 3.4Å; R175-D179 IonicContact CZ-OD2 2.78Å; R175-D179 VanDerWaalsContact NE-CG 3.26Å; R175-D179 IonicContact NE-OD1 3.21Å; R175-D179 PolarHBondContact NE-OD1 3.11Å; R175-D179 IonicContact NE-OD2 2.79Å; R175-D179 PolarHBondContact NE-OD2 3.26Å; R175-D179 IonicContact NH2-OD2 2.93Å; R175-D179 PolarHBondContact NH2-OD2 2.69Å; R175-D179 PolarHBondContact O-N 2.88Å; E176-D179 PolarHBondContact O-N 3.36Å; D179-A182 PolarHBondContact O-N 2.69Å; D179-V183 WeakPolarHBondContact O-CG2 3.27Å; D179-V183 PolarHBondContact O-N 3.12Å; D179-I228 HydrophobicContact CB-CD1 3.61Å; D179-M231 HydrophobicContact CB-CB 4.12Å; D179-N250 PolarHBondContact OD1-ND2 2.85Å
180K98.7Very high98.7Very high101 Ų10145.9 Ų45.944%0.43922%0.22SC..Hα-helixtrans-59.9-46.3172.9-78.1170.2-178.1162.20112.4E176 D177 Q178 A182 V183 L184 I228E176-K180 HydrophobicContact CG-CD 4.38Å; E176-K180 WeakPolarHBondContact O-CB 3.44Å; E176-K180 VanDerWaalsContact O-CG 3.28Å; E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 2.86Å; E176-K180 WeakPolarHBondContact OE1-CE 3.26Å; E176-K180 IonicContact OE1-NZ 2.66Å; E176-K180 PolarHBondContact OE1-NZ 2.87Å; D177-K180 PolarHBondContact O-N 3.39Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 3.1Å; K180-A182 VanDerWaalsContact C-N 3.33Å; K180-V183 PolarHBondContact O-N 3.15Å; K180-L184 WeakPolarHBondContact O-CB 3.11Å; K180-L184 PolarHBondContact O-N 3.25Å; K180-I228 HydrophobicContact CG-CD1 4.12Å
181V98.6Very high98.7Very high31 Ų3144.7 Ų44.719%0.18822%0.22CC..Hα-helixtrans-65-39.5176.51670000111.2D177 Q178 L184 S185 A325 V329 I349D177-V181 PolarHBondContact O-N 3.19Å; D177-V181 VanDerWaalsContact O-N 3.13Å; Q178-V181 PolarHBondContact O-N 3.43Å; V181-L184 PolarHBondContact O-N 2.87Å; V181-S185 PolarHBondContact O-N 3.43Å; V181-A325 HydrophobicContact CB-CB 4.37Å; V181-A325 HydrophobicContact CG1-CB 4.31Å; V181-V329 HydrophobicContact CB-CG2 4.23Å; V181-V329 HydrophobicContact CG2-CG2 3.48Å; V181-V329 VanDerWaalsContact CG2-CG2 3.48Å; V181-I349 HydrophobicContact CG1-CD1 4.42Å
182A98.8Very high98.7Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-62.9-46.3177.200000112.6Q178 D179 K180 L184 S185 Q186 M231 A249 N250 I349Q178-A182 WeakPolarHBondContact O-CB 3.38Å; Q178-A182 PolarHBondContact O-N 2.68Å; D179-A182 PolarHBondContact O-N 2.69Å; K180-A182 VanDerWaalsContact C-N 3.33Å; A182-L184 VanDerWaalsContact C-N 3.32Å; A182-L184 PolarHBondContact O-N 3.21Å; A182-S185 PolarHBondContact O-N 3.17Å; A182-Q186 VanDerWaalsContact O-CG 3.31Å; A182-Q186 WeakPolarHBondContact O-CG 3.44Å; A182-Q186 PolarHBondContact O-N 3.03Å; A182-M231 HydrophobicContact CB-CE 3.98Å; A182-M231 HydrophobicContact CB-SD 3.55Å; A182-M231 VanDerWaalsContact CB-SD 3.55Å; A182-A249 WeakPolarHBondContact CB-O 3.37Å; A182-N250 HydrophobicContact CB-CB 3.88Å; A182-I349 HydrophobicContact CB-CD1 4.49Å; A182-I349 HydrophobicContact CB-CG2 3.87Å
183V98.8Very high98.7Very high21 Ų2136.9 Ų36.913%0.12719%0.185CC..Hα-helixtrans-60-43.9173.6172.40000110.7D179 K180 S185 Q186 N187 I228 M231D179-V183 WeakPolarHBondContact O-CG2 3.27Å; D179-V183 PolarHBondContact O-N 3.12Å; K180-V183 PolarHBondContact O-N 3.15Å; V183-S185 PolarHBondContact O-N 3.47Å; V183-Q186 PolarHBondContact O-N 3.24Å; V183-N187 WeakPolarHBondContact CG1-ND2 3.21Å; V183-N187 WeakPolarHBondContact O-CB 3.41Å; V183-N187 VanDerWaalsContact O-CG 3.3Å; V183-N187 PolarHBondContact O-N 3Å; V183-N187 PolarHBondContact O-ND2 3.37Å; V183-I228 HydrophobicContact CG2-CB 4.42Å; V183-I228 HydrophobicContact CG2-CD1 4.29Å; V183-M231 HydrophobicContact CB-CE 4.4Å; V183-M231 HydrophobicContact CG2-CE 3.72Å; V183-M231 HydrophobicContact CG2-CG 4.17Å; V183-M231 HydrophobicContact CG2-SD 3.53Å; V183-M231 VanDerWaalsContact CG2-SD 3.53Å
184L98.8Very high98.7Very high75 Ų7543.3 Ų43.339%0.39321%0.213SC..Hα-helixtrans-60.4-45.2178.3-177.764000111.6K180 V181 A182 N187 R188K180-L184 WeakPolarHBondContact O-CB 3.11Å; K180-L184 PolarHBondContact O-N 3.25Å; V181-L184 PolarHBondContact O-N 2.87Å; A182-L184 VanDerWaalsContact C-N 3.32Å; A182-L184 PolarHBondContact O-N 3.21Å; L184-N187 PolarHBondContact O-N 2.87Å; L184-R188 HydrophobicContact CD1-CG 4.34Å; L184-R188 WeakPolarHBondContact O-CB 3.22Å; L184-R188 VanDerWaalsContact O-CG 3.31Å; L184-R188 WeakPolarHBondContact O-CG 3.26Å; L184-R188 PolarHBondContact O-N 3.4Å
185S98.9Very high98.7Very high2 Ų243.9 Ų43.91%0.01422%0.221CC..Hα-helixtrans-60.4-47.4175.8176.60000111.4V181 A182 V183 N187 R188 T189 E322 G347 A350V181-S185 PolarHBondContact O-N 3.43Å; A182-S185 PolarHBondContact O-N 3.17Å; V183-S185 PolarHBondContact O-N 3.47Å; S185-N187 PolarHBondContact O-N 3.03Å; S185-R188 PolarHBondContact O-N 3.05Å; S185-T189 WeakPolarHBondContact O-CB 3.29Å; S185-T189 PolarHBondContact O-N 3.18Å; S185-T189 PolarHBondContact O-OG1 3.38Å; S185-E322 WeakPolarHBondContact CB-OE2 3.37Å; S185-E322 PolarHBondContact OG-OE2 3.22Å; S185-G347 PolarHBondContact OG-N 3.39Å; S185-A350 WeakPolarHBondContact OG-CB 3.4Å
186Q98.9Very high98.7Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-60.6-46.7-179.5-69.6-74-1.100111.5A182 V183 T189 E190 M231 I349 A350A182-Q186 VanDerWaalsContact O-CG 3.31Å; A182-Q186 WeakPolarHBondContact O-CG 3.44Å; A182-Q186 PolarHBondContact O-N 3.03Å; V183-Q186 PolarHBondContact O-N 3.24Å; Q186-T189 PolarHBondContact O-N 3.5Å; Q186-E190 WeakPolarHBondContact O-CB 3.45Å; Q186-E190 PolarHBondContact O-N 3.04Å; Q186-M231 HydrophobicContact CG-CE 4.07Å; Q186-I349 PolarHBondContact NE2-O 3.44Å; Q186-A350 HydrophobicContact CG-CB 4.2Å
187N98.8Very high98.8Very high56 Ų5639.6 Ų39.630%0.29921%0.208SC..Hα-helixtrans-68.6-36.6-179.1-68.6-15.1000112.4V183 L184 S185 N191 S226V183-N187 WeakPolarHBondContact CG1-ND2 3.21Å; V183-N187 WeakPolarHBondContact O-CB 3.41Å; V183-N187 VanDerWaalsContact O-CG 3.3Å; V183-N187 PolarHBondContact O-N 3Å; V183-N187 PolarHBondContact O-ND2 3.37Å; L184-N187 PolarHBondContact O-N 2.87Å; S185-N187 PolarHBondContact O-N 3.03Å; N187-N191 WeakPolarHBondContact O-CB 3.4Å; N187-N191 PolarHBondContact O-N 3.43Å; N187-N191 PolarHBondContact O-ND2 3.31Å; N187-N191 VanDerWaalsContact O-ND2 3.12Å; N187-S226 PolarHBondContact OD1-O 2.99Å
188R98.8Very high98.8Very high45 Ų4537 Ų3717%0.1719%0.194CC..Hα-helixtrans-63.7-45173.1-77.2178.7173.6179.2-1.7111.5L184 S185 N191 A192 P339 V342 N343L184-R188 HydrophobicContact CD1-CG 4.34Å; L184-R188 WeakPolarHBondContact O-CB 3.22Å; L184-R188 VanDerWaalsContact O-CG 3.31Å; L184-R188 WeakPolarHBondContact O-CG 3.26Å; L184-R188 PolarHBondContact O-N 3.4Å; S185-R188 PolarHBondContact O-N 3.05Å; R188-N191 PolarHBondContact O-N 3.3Å; R188-A192 WeakPolarHBondContact O-CB 3.36Å; R188-A192 PolarHBondContact O-N 2.89Å; R188-P339 PolarHBondContact NH1-O 3.25Å; R188-P339 PolarHBondContact NH2-O 2.93Å; R188-V342 PolarHBondContact NH1-O 3.43Å; R188-N343 WeakPolarHBondContact CD-O 3.25Å; R188-N343 PolarHBondContact NH1-O 2.98Å
189T98.9Very high98.8Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-64.7-42.2177-63.10000112.4S185 Q186 N191 A192 Q193 F198 P222 E345 G346 A350 L351S185-T189 WeakPolarHBondContact O-CB 3.29Å; S185-T189 PolarHBondContact O-N 3.18Å; S185-T189 PolarHBondContact O-OG1 3.38Å; Q186-T189 PolarHBondContact O-N 3.5Å; T189-N191 VanDerWaalsContact C-N 3.33Å; T189-N191 PolarHBondContact O-N 3.2Å; T189-A192 PolarHBondContact O-N 3.46Å; T189-Q193 HydrophobicContact CG2-CG 4.4Å; T189-Q193 WeakPolarHBondContact O-CB 3.39Å; T189-Q193 WeakPolarHBondContact O-CG 3.48Å; T189-Q193 PolarHBondContact O-N 3.43Å; T189-F198 HydrophobicContact CG2-CE2 4.33Å; T189-P222 HydrophobicContact CG2-CB 3.94Å; T189-P222 HydrophobicContact CG2-CG 3.54Å; T189-E345 WeakPolarHBondContact CA-O 3.45Å; T189-E345 PolarHBondContact N-O 2.84Å; T189-E345 PolarHBondContact OG1-O 3.35Å; T189-G346 WeakPolarHBondContact OG1-CA 3.35Å; T189-A350 HydrophobicContact CG2-CB 4.15Å; T189-A350 WeakPolarHBondContact OG1-CB 3.22Å; T189-L351 HydrophobicContact CG2-CD2 3.6Å; T189-L351 HydrophobicContact CG2-CG 3.94Å
190E98.8Very high98.7Very high24 Ų2447.9 Ų47.911%0.11225%0.247CC..Hα-helixtrans-59.2-44.7174.2178.6175.3171.500111.5Q186 Q193 K194 H224 G225Q186-E190 WeakPolarHBondContact O-CB 3.45Å; Q186-E190 PolarHBondContact O-N 3.04Å; E190-Q193 PolarHBondContact O-N 3.21Å; E190-K194 HydrophobicContact CG-CD 4.21Å; E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 VanDerWaalsContact OE1-CE 3.28Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.87Å; E190-K194 PolarHBondContact OE1-NZ 2.92Å; E190-H224 HydrophobicContact CG-CB 4.24Å; E190-H224 VanDerWaalsContact OE2-CA 3.25Å; E190-H224 WeakPolarHBondContact OE2-CA 3.17Å; E190-H224 IonicContact OE2-CG 3.75Å; E190-G225 PolarHBondContact OE2-N 3.08Å
191N98.9Very high98.7Very high101 Ų10143.1 Ų43.154%0.5423%0.226SC..Hα-helixtrans-63.7-44.4176.4-71-26.2000111.8N187 R188 T189 Q193 K194 A195N187-N191 WeakPolarHBondContact O-CB 3.4Å; N187-N191 PolarHBondContact O-N 3.43Å; N187-N191 PolarHBondContact O-ND2 3.31Å; N187-N191 VanDerWaalsContact O-ND2 3.12Å; R188-N191 PolarHBondContact O-N 3.3Å; T189-N191 VanDerWaalsContact C-N 3.33Å; T189-N191 PolarHBondContact O-N 3.2Å; N191-Q193 PolarHBondContact O-N 2.97Å; N191-K194 PolarHBondContact O-N 2.86Å; N191-A195 VanDerWaalsContact O-CB 3.25Å; N191-A195 WeakPolarHBondContact O-CB 3.32Å; N191-A195 PolarHBondContact O-N 3.11Å
192A98.8Very high98.8Very high1 Ų142.3 Ų42.31%0.00822%0.221CC..Hα-helixtrans-62.6-41.2178.200000112.1R188 T189 A195 G196 H197 F198 E345R188-A192 WeakPolarHBondContact O-CB 3.36Å; R188-A192 PolarHBondContact O-N 2.89Å; T189-A192 PolarHBondContact O-N 3.46Å; A192-A195 PolarHBondContact O-N 2.89Å; A192-G196 PolarHBondContact O-N 3.13Å; A192-G196 VanDerWaalsContact O-N 3.12Å; A192-H197 HydrophobicContact CB-CB 4.11Å; A192-H197 PolarHBondContact O-N 2.99Å; A192-F198 HydrophobicContact CB-CD2 4.41Å; A192-F198 HydrophobicContact CB-CE2 3.62Å; A192-F198 HydrophobicContact CB-CZ 3.68Å; A192-E345 HydrophobicContact CB-CB 4.02Å; A192-E345 VanDerWaalsContact CB-OE2 3.29Å; A192-E345 WeakPolarHBondContact CB-OE2 3.33Å
193Q98.6Very high98.8Very high34 Ų3442.8 Ų42.816%0.15922%0.224CC..Hα-helixtrans-64.1-47.1174.3-75.1-176.9-48.200111.7T189 E190 N191 A195 G196 F198 D219 H224T189-Q193 HydrophobicContact CG2-CG 4.4Å; T189-Q193 WeakPolarHBondContact O-CB 3.39Å; T189-Q193 WeakPolarHBondContact O-CG 3.48Å; T189-Q193 PolarHBondContact O-N 3.43Å; E190-Q193 PolarHBondContact O-N 3.21Å; N191-Q193 PolarHBondContact O-N 2.97Å; Q193-A195 VanDerWaalsContact C-N 3.26Å; Q193-A195 PolarHBondContact O-N 3.11Å; Q193-G196 PolarHBondContact O-N 3.11Å; Q193-G196 VanDerWaalsContact O-N 3.15Å; Q193-F198 HydrophobicContact CG-CD2 3.89Å; Q193-F198 HydrophobicContact CG-CE2 3.92Å; Q193-D219 PolarHBondContact NE2-O 3.24Å; Q193-H224 PolarHBondContact OE1-NE2 3.15Å
194K98.7Very high98.7Very high141 Ų14144.1 Ų44.161%0.61323%0.233SC*.Hα-helixtrans-64.7-31178.5-73.4177.5-175.3174.20112.9E190 N191 G196E190-K194 HydrophobicContact CG-CD 4.21Å; E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 VanDerWaalsContact OE1-CE 3.28Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.87Å; E190-K194 PolarHBondContact OE1-NZ 2.92Å; N191-K194 PolarHBondContact O-N 2.86Å; K194-G196 VanDerWaalsContact C-N 3.34Å
195A98.6Very high98.7Very high62 Ų6240.6 Ų40.651%0.51221%0.214SC..THydrogen-bonded Turntrans-86.8-0.8177.500000113.7N191 A192 Q193 H197N191-A195 VanDerWaalsContact O-CB 3.25Å; N191-A195 WeakPolarHBondContact O-CB 3.32Å; N191-A195 PolarHBondContact O-N 3.11Å; A192-A195 PolarHBondContact O-N 2.89Å; Q193-A195 VanDerWaalsContact C-N 3.26Å; Q193-A195 PolarHBondContact O-N 3.11Å; A195-H197 VanDerWaalsContact C-N 3.3Å; A195-H197 VanDerWaalsContact CB-CD2 3.45Å; A195-H197 WeakPolarHBondContact CB-CD2 3.28Å; A195-H197 VanDerWaalsContact CB-NE2 3.27Å; A195-H197 WeakPolarHBondContact CB-NE2 3.28Å; A195-H197 PolarHBondContact O-N 2.88Å
196G98.6Very high98.6Very high21 Ų2145.8 Ų45.822%0.21624%0.242CC..THydrogen-bonded Turntrans69.322.6178.700000114.2A192 Q193 K194 F198 D199A192-G196 PolarHBondContact O-N 3.13Å; A192-G196 VanDerWaalsContact O-N 3.12Å; Q193-G196 PolarHBondContact O-N 3.11Å; Q193-G196 VanDerWaalsContact O-N 3.15Å; K194-G196 VanDerWaalsContact C-N 3.34Å; G196-F198 PolarHBondContact O-N 2.79Å; G196-D199 WeakPolarHBondContact O-CB 3.44Å; G196-D199 PolarHBondContact O-N 2.82Å
197H98.8Very high98.4Very high54 Ų5446.2 Ų46.225%0.2524%0.244CC..THydrogen-bonded Turntrans-62.7-28.1-176.4-65.9179.5000112.7A192 A195 E345A192-H197 HydrophobicContact CB-CB 4.11Å; A192-H197 PolarHBondContact O-N 2.99Å; A195-H197 VanDerWaalsContact C-N 3.3Å; A195-H197 VanDerWaalsContact CB-CD2 3.45Å; A195-H197 WeakPolarHBondContact CB-CD2 3.28Å; A195-H197 VanDerWaalsContact CB-NE2 3.27Å; A195-H197 WeakPolarHBondContact CB-NE2 3.28Å; A195-H197 PolarHBondContact O-N 2.88Å; H197-E345 IonicContact CE1-OE2 2.59Å; H197-E345 IonicContact CG-OE1 2.68Å; H197-E345 IonicContact CG-OE2 3.96Å; H197-E345 VanDerWaalsContact ND1-CD 3.32Å; H197-E345 IonicContact ND1-OE1 3.96Å; H197-E345 PolarHBondContact ND1-OE1 2.93Å; H197-E345 IonicContact ND1-OE2 2.61Å; H197-E345 PolarHBondContact ND1-OE2 3.47Å
198F98.8Very high98Very high4 Ų448 Ų482%0.01826%0.261CS..THydrogen-bonded Turntrans-90.1-6.9-179.3-55.2-53.6000114.2T189 A192 Q193 G196 K200 E201 I202 E345 L351 T365T189-F198 HydrophobicContact CG2-CE2 4.33Å; A192-F198 HydrophobicContact CB-CD2 4.41Å; A192-F198 HydrophobicContact CB-CE2 3.62Å; A192-F198 HydrophobicContact CB-CZ 3.68Å; Q193-F198 HydrophobicContact CG-CD2 3.89Å; Q193-F198 HydrophobicContact CG-CE2 3.92Å; G196-F198 PolarHBondContact O-N 2.79Å; F198-K200 PolarHBondContact O-N 2.9Å; F198-E201 HydrophobicContact CB-CG 4.23Å; F198-E201 HydrophobicContact CD1-CG 4.37Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.41Å; F198-E201 WeakPolarHBondContact O-CG 3.34Å; F198-E201 PolarHBondContact O-N 2.58Å; F198-E201 VanDerWaalsContact O-N 3.1Å; F198-I202 HydrophobicContact CB-CD1 3.67Å; F198-I202 HydrophobicContact CB-CG1 4.25Å; F198-I202 WeakPolarHBondContact O-CG1 3.41Å; F198-I202 PolarHBondContact O-N 2.89Å; F198-E345 HydrophobicContact CE1-CB 3.81Å; F198-E345 HydrophobicContact CE1-CG 4.38Å; F198-E345 HydrophobicContact CZ-CB 3.76Å; F198-L351 HydrophobicContact CE2-CD2 4.18Å; F198-L351 HydrophobicContact CZ-CD1 4.31Å; F198-L351 HydrophobicContact CZ-CD2 4.17Å; F198-T365 HydrophobicContact CE1-CG2 4.2Å
199D98.6Very high97.6Very high123 Ų12348.1 Ų48.166%0.65827%0.269SS*.THydrogen-bonded Turntrans-61.3-35.1-172.7-67.5-2.4000112G196G196-D199 WeakPolarHBondContact O-CB 3.44Å; G196-D199 PolarHBondContact O-N 2.82Å
200K98.6Very high97.1Very high109 Ų10960.8 Ų60.847%0.47432%0.316SS..THydrogen-bonded Turntrans-73.6-35.3178.7-167.6175.6-176.8-179.60112.2R44 F198 E371R44-K200 VanDerWaalsContact CZ-O 3.3Å; R44-K200 PolarHBondContact NH1-O 3.18Å; R44-K200 PolarHBondContact NH2-O 2.9Å; F198-K200 PolarHBondContact O-N 2.9Å; K200-E371 IonicContact NZ-OE1 3.36Å; K200-E371 PolarHBondContact NZ-OE1 3.22Å; K200-E371 IonicContact NZ-OE2 3.52Å; K200-E371 PolarHBondContact NZ-OE2 2.77Å
201E98.7Very high96.6Very high1 Ų169.5 Ų69.51%0.00535%0.354CS..THydrogen-bonded Turntrans-88.1-25.1-173.571.5-175.7-136.600113.5A14 R15 F198 V364 T365 H368A14-E201 CarbonylContact C-O 3.57Å; A14-E201 WeakPolarHBondContact CA-O 3.39Å; R15-E201 HydrophobicContact CG-CG 4.29Å; R15-E201 IonicContact CZ-OE1 2.78Å; R15-E201 PolarHBondContact N-O 3.5Å; R15-E201 IonicContact NE-OE1 3.19Å; R15-E201 PolarHBondContact NE-OE1 3.3Å; R15-E201 IonicContact NH2-OE1 3.96Å; R15-E201 PolarHBondContact NH2-OE1 2.93Å; F198-E201 HydrophobicContact CB-CG 4.23Å; F198-E201 HydrophobicContact CD1-CG 4.37Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.41Å; F198-E201 WeakPolarHBondContact O-CG 3.34Å; F198-E201 PolarHBondContact O-N 2.58Å; F198-E201 VanDerWaalsContact O-N 3.1Å; E201-V364 HydrophobicContact CB-CG1 3.84Å; E201-T365 PolarHBondContact OE1-OG1 2.82Å; E201-T365 WeakPolarHBondContact OE2-CA 3.45Å; E201-H368 HydrophobicContact CB-CB 4.47Å; E201-H368 WeakPolarHBondContact CB-CD2 3.42Å; E201-H368 IonicContact OE2-CD2 3.88Å; E201-H368 IonicContact OE2-CG 3.51Å
202I98.9Very high96.3Very high15 Ų1566.5 Ų66.58%0.07735%0.347CS..BIsolated β-bridgetrans-77.8131.7179.4-70.1169.1000111R15 I17 R44 F198 K217R15-I202 CarbonylContact O-C 3.46Å; R15-I202 VanDerWaalsContact O-CA 3.26Å; R15-I202 WeakPolarHBondContact O-CA 3.28Å; I17-I202 HydrophobicContact CG2-CD1 4.28Å; I17-I202 HydrophobicContact CG2-CG2 3.69Å; R44-I202 PolarHBondContact NH2-O 3.29Å; F198-I202 HydrophobicContact CB-CD1 3.67Å; F198-I202 HydrophobicContact CB-CG1 4.25Å; F198-I202 WeakPolarHBondContact O-CG1 3.41Å; F198-I202 PolarHBondContact O-N 2.89Å; I202-K217 HydrophobicContact CG2-CB 4.49Å
203V98.8Very high96Very high9 Ų972 Ų726%0.05538%0.376CS..PPolyproline II helixtrans-101.1129.4160.162.50000109.1R15 T16 T36 V37 E40R15-V203 WeakPolarHBondContact O-CG1 3.18Å; R15-V203 PolarHBondContact O-N 2.92Å; T16-V203 HydrophobicContact CG2-CG1 4.39Å; T36-V203 HydrophobicContact CG2-CG1 3.84Å; T36-V203 HydrophobicContact CG2-CG2 3.92Å; V37-V203 HydrophobicContact CG1-CG1 3.75Å; E40-V203 HydrophobicContact CB-CB 4.13Å; E40-V203 HydrophobicContact CB-CG1 4.48Å; E40-V203 HydrophobicContact CB-CG2 3.77Å; E40-V203 HydrophobicContact CG-CB 3.89Å; E40-V203 HydrophobicContact CG-CG2 3.72Å
204P98.4Very high95.9Very high49 Ų4974.3 Ų74.332%0.31839%0.388SS..PPolyproline II helixtrans-65.2143176.9-2031.2000112.9E215 V216 K217P204-E215 VanDerWaalsContact CB-CD 3.46Å; P204-E215 HydrophobicContact CB-CG 3.28Å; P204-E215 WeakPolarHBondContact CB-OE1 3.35Å; P204-E215 HydrophobicContact CG-CG 4.22Å; P204-E215 WeakPolarHBondContact CG-OE1 3.34Å; P204-V216 WeakPolarHBondContact CA-O 3.29Å; P204-K217 HydrophobicContact CB-CB 4.08Å; P204-K217 HydrophobicContact CG-CB 4.13Å
205V98.4Very high95.8Very high1 Ų172.7 Ų72.71%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-105.8131.3175.3-177.80000109.4T16 L25 V28 L33 T36 V207 V216T16-V205 HydrophobicContact CG2-CG2 3.53Å; L25-V205 HydrophobicContact CD2-CB 4.07Å; L25-V205 HydrophobicContact CD2-CG1 4.05Å; L25-V205 HydrophobicContact CD2-CG2 4.3Å; V28-V205 HydrophobicContact CG1-CG1 4.3Å; V28-V205 HydrophobicContact CG2-CG1 4.17Å; L33-V205 HydrophobicContact CD2-CG1 3.96Å; L33-V205 HydrophobicContact CD2-CG2 4.17Å; T36-V205 HydrophobicContact CG2-CG2 4.46Å; V205-V207 HydrophobicContact CG1-CG2 4.22Å; V205-V216 PolarHBondContact N-O 2.95Å; V205-V216 PolarHBondContact O-N 3.01Å
206L96Very high95.7Very high112 Ų11270.7 Ų70.759%0.58636%0.364SS*.EExtended strand (participates in β ladder)trans-84.1119.3172.5-66.7175.4000109.8L213 I214 E215L206-L213 HydrophobicContact CB-CD2 4.5Å; L206-I214 WeakPolarHBondContact CA-O 3.29Å; L206-E215 HydrophobicContact CD2-CB 4.33Å
207V95.6Very high95.7Very high8 Ų875.6 Ų75.65%0.04838%0.38CS..EExtended strand (participates in β ladder)trans-113.7129.8-179.6-175.10000109.2L25 T27 V28 V205 S209 L213 I214 V216L25-V207 HydrophobicContact CD2-CG2 4.3Å; T27-V207 WeakPolarHBondContact OG1-CG1 3.43Å; V28-V207 HydrophobicContact CG2-CB 4.43Å; V28-V207 HydrophobicContact CG2-CG1 4.26Å; V28-V207 HydrophobicContact CG2-CG2 3.77Å; V205-V207 HydrophobicContact CG1-CG2 4.22Å; V207-S209 PolarHBondContact O-N 3.15Å; V207-L213 WeakPolarHBondContact O-CA 3.49Å; V207-I214 HydrophobicContact CB-CG1 3.97Å; V207-I214 PolarHBondContact N-O 2.95Å; V207-I214 WeakPolarHBondContact O-CG1 3.39Å; V207-I214 PolarHBondContact O-N 3.47Å; V207-V216 HydrophobicContact CB-CG2 4.3Å; V207-V216 HydrophobicContact CG2-CB 4.46Å; V207-V216 HydrophobicContact CG2-CG2 3.62Å
208S90Very high95.7Very high95 Ų9577.2 Ų77.266%0.66439%0.394SS*.EExtended strand (participates in β ladder)trans-74.4122.2174.5-69.40000110.3
209S90.3Very high95.7Very high46 Ų4677.4 Ų77.432%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-119.7166.617485.20000111V207 K211 G212V207-S209 PolarHBondContact O-N 3.15Å; S209-K211 PolarHBondContact O-N 2.99Å; S209-K211 VanDerWaalsContact O-N 3.09Å; S209-K211 PolarHBondContact OG-N 3.36Å; S209-K211 VanDerWaalsContact OG-N 3.13Å; S209-G212 WeakPolarHBondContact CA-O 3.5Å; S209-G212 WeakPolarHBondContact CB-O 3.23Å; S209-G212 PolarHBondContact N-O 3.18Å; S209-G212 PolarHBondContact O-N 3.47Å; S209-G212 PolarHBondContact OG-N 3.35Å; S209-G212 PolarHBondContact OG-O 2.94Å
210R88.1Confident95.7Very high266 Ų26675.5 Ų75.5100%1.00438%0.382SS*.THydrogen-bonded Turntrans-57.2-23.4172.4-68-176-178171.91.4113.3
211K88.1Confident95.7Very high207 Ų20772 Ų7290%0.937%0.366SS*.THydrogen-bonded Turntrans-94.96.1179.2-63.1-176.7179.5179.60113S209S209-K211 PolarHBondContact O-N 2.99Å; S209-K211 VanDerWaalsContact O-N 3.09Å; S209-K211 PolarHBondContact OG-N 3.36Å; S209-K211 VanDerWaalsContact OG-N 3.13Å
212G92.6Very high95.7Very high38 Ų3872.8 Ų72.839%0.39237%0.372SS..EExtended strand (participates in β ladder)trans108.7-169.9-174.200000112.8S209S209-G212 WeakPolarHBondContact CA-O 3.5Å; S209-G212 WeakPolarHBondContact CB-O 3.23Å; S209-G212 PolarHBondContact N-O 3.18Å; S209-G212 PolarHBondContact O-N 3.47Å; S209-G212 PolarHBondContact OG-N 3.35Å; S209-G212 PolarHBondContact OG-O 2.94Å
213L93.6Very high95.7Very high118 Ų11876.4 Ų76.462%0.61838%0.384SS*.EExtended strand (participates in β ladder)trans-72128.9178-71.6165.7000110.3L206 V207L206-L213 HydrophobicContact CB-CD2 4.5Å; V207-L213 WeakPolarHBondContact O-CA 3.49Å
214I96Very high95.7Very high82 Ų8280.9 Ų80.942%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-115.1145.2173.162.2172000109.7L206 V207 V216L206-I214 WeakPolarHBondContact CA-O 3.29Å; V207-I214 HydrophobicContact CB-CG1 3.97Å; V207-I214 PolarHBondContact N-O 2.95Å; V207-I214 WeakPolarHBondContact O-CG1 3.39Å; V207-I214 PolarHBondContact O-N 3.47Å; I214-V216 HydrophobicContact CD1-CG2 4.43Å; I214-V216 HydrophobicContact CG1-CG2 4.49Å
215E96.3Very high95.6Very high106 Ų10681 Ų8150%0.49542%0.415SS..EExtended strand (participates in β ladder)trans-94.2123.9174.6-173.9-176.2141.600109.5P204 L206P204-E215 VanDerWaalsContact CB-CD 3.46Å; P204-E215 HydrophobicContact CB-CG 3.28Å; P204-E215 WeakPolarHBondContact CB-OE1 3.35Å; P204-E215 HydrophobicContact CG-CG 4.22Å; P204-E215 WeakPolarHBondContact CG-OE1 3.34Å; L206-E215 HydrophobicContact CD2-CB 4.33Å
216V97.2Very high95.6Very high21 Ų2181.9 Ų81.913%0.12742%0.422CS..EExtended strand (participates in β ladder)trans-107.8121175.4-170.50000109I17 A24 P204 V205 V207 I214I17-V216 HydrophobicContact CD1-CG1 3.73Å; I17-V216 HydrophobicContact CG1-CG1 3.82Å; A24-V216 HydrophobicContact CB-CG1 3.94Å; A24-V216 HydrophobicContact CB-CG2 4.46Å; P204-V216 WeakPolarHBondContact CA-O 3.29Å; V205-V216 PolarHBondContact N-O 2.95Å; V205-V216 PolarHBondContact O-N 3.01Å; V207-V216 HydrophobicContact CB-CG2 4.3Å; V207-V216 HydrophobicContact CG2-CB 4.46Å; V207-V216 HydrophobicContact CG2-CG2 3.62Å; I214-V216 HydrophobicContact CD1-CG2 4.43Å; I214-V216 HydrophobicContact CG1-CG2 4.49Å
217K98.2Very high95.7Very high124 Ų12479.1 Ų79.154%0.53941%0.407SS..  trans-142.211.3-171.566.6178.4175.5-172.40115.4I202 P204I202-K217 HydrophobicContact CG2-CB 4.49Å; P204-K217 HydrophobicContact CB-CB 4.08Å; P204-K217 HydrophobicContact CG-CB 4.13Å
218T98.4Very high95.9Very high88 Ų8882.3 Ų82.354%0.5442%0.423SS..SBendtrans-124.5135.7173.5-520000109.4E220T218-E220 PolarHBondContact O-N 3.02Å
219D98.8Very high96.2Very high7 Ų783.6 Ų83.64%0.03742%0.419CS..  trans-58.4129.3172.4-64.2-55.1000110.2R15 I17 I18 Q193 P222 L351R15-D219 IonicContact CZ-OD1 2.75Å; R15-D219 IonicContact CZ-OD2 3.25Å; R15-D219 IonicContact NH1-OD1 3.63Å; R15-D219 PolarHBondContact NH1-OD1 3.14Å; R15-D219 IonicContact NH1-OD2 3.08Å; R15-D219 PolarHBondContact NH1-OD2 2.83Å; R15-D219 IonicContact NH2-OD1 3.79Å; R15-D219 IonicContact NH2-OD2 3.95Å; R15-D219 PolarHBondContact NH2-OD2 3.23Å; I17-D219 WeakPolarHBondContact CA-OD1 3.26Å; I18-D219 PolarHBondContact N-OD1 3.13Å; Q193-D219 PolarHBondContact NE2-O 3.24Å; D219-P222 HydrophobicContact CB-CG 4.38Å; D219-L351 HydrophobicContact CB-CD2 4.2Å
220E98.5Very high96.5Very high83 Ų8385.3 Ų85.339%0.38842%0.424SS..SBendtrans-92.4-25.8-167.9-175.4-177.8-150.200113.2I18 S20 A24 T218 P222I18-E220 PolarHBondContact O-N 3.24Å; I18-E220 VanDerWaalsContact O-N 3.07Å; S20-E220 WeakPolarHBondContact CB-OE2 3.4Å; S20-E220 PolarHBondContact N-OE2 3.27Å; A24-E220 WeakPolarHBondContact CB-OE2 3.28Å; A24-E220 PolarHBondContact N-OE1 2.85Å; A24-E220 PolarHBondContact N-OE2 2.84Å; T218-E220 PolarHBondContact O-N 3.02Å; E220-P222 VanDerWaalsContact C-CD 3.46Å
221F98.7Very high97Very high35 Ų3573.1 Ų73.115%0.15438%0.379CS..  trans-74.1-27.4-172.8-161.8-115.2000116.6S20 I349 A350S20-F221 WeakPolarHBondContact OG-CA 3.3Å; F221-I349 WeakPolarHBondContact CE1-O 3.31Å; F221-A350 CarbonylContact C-O 3.54Å; F221-A350 VanDerWaalsContact CD1-O 3.29Å; F221-A350 WeakPolarHBondContact CD1-O 3.49Å
222P98.8Very high97.4Very high18 Ų1866.5 Ų66.512%0.11736%0.359CS..  trans-57.7139.5-178.5-28.737.2000113.7T189 D219 E220 A350T189-P222 HydrophobicContact CG2-CB 3.94Å; T189-P222 HydrophobicContact CG2-CG 3.54Å; D219-P222 HydrophobicContact CB-CG 4.38Å; E220-P222 VanDerWaalsContact C-CD 3.46Å; P222-A350 VanDerWaalsContact CA-O 3.31Å; P222-A350 WeakPolarHBondContact CA-O 3.49Å; P222-A350 WeakPolarHBondContact CD-O 3.32Å; P222-A350 WeakPolarHBondContact CG-O 3.48Å; P222-A350 VanDerWaalsContact N-O 3.1Å
223R98.4Very high97.7Very high91 Ų9170.4 Ų70.434%0.34337%0.365SS..  trans-109.389.6177.8-66.4-178.2-67.3-112.3-2.5109.4S226 A249R223-S226 WeakPolarHBondContact O-CB 3.5Å; R223-S226 PolarHBondContact O-N 2.74Å; R223-S226 PolarHBondContact O-OG 2.78Å; R223-A249 PolarHBondContact NH2-O 2.86Å
224H98.5Very high97.9Very high103 Ų10368.3 Ų68.348%0.47735%0.354SS..THydrogen-bonded Turntrans-59.5145.8179.8-66.3-178.5000111.8E190 Q193 S226E190-H224 HydrophobicContact CG-CB 4.24Å; E190-H224 VanDerWaalsContact OE2-CA 3.25Å; E190-H224 WeakPolarHBondContact OE2-CA 3.17Å; E190-H224 IonicContact OE2-CG 3.75Å; Q193-H224 PolarHBondContact OE1-NE2 3.15Å; H224-S226 VanDerWaalsContact C-N 3.26Å; H224-S226 PolarHBondContact O-N 3.42Å
225G98.2Very high98Very high53 Ų5372.9 Ų72.955%0.54637%0.371SS..THydrogen-bonded Turntrans72.217.1-177.500000114.6E190 N227E190-G225 PolarHBondContact OE2-N 3.08Å; G225-N227 PolarHBondContact O-N 2.94Å
226S98.1Very high98.1Very high19 Ų1969.7 Ų69.713%0.13336%0.359CS..  trans-56.7131.6175-78.20000111.6N187 R223 H224N187-S226 PolarHBondContact OD1-O 2.99Å; R223-S226 WeakPolarHBondContact O-CB 3.5Å; R223-S226 PolarHBondContact O-N 2.74Å; R223-S226 PolarHBondContact O-OG 2.78Å; H224-S226 VanDerWaalsContact C-N 3.26Å; H224-S226 PolarHBondContact O-N 3.42Å
227N98.2Very high98.1Very high53 Ų5376.2 Ų76.228%0.28338%0.383SS..  trans-137.2160.3-177.968.375.9000111.5G225 E229 D230 M231G225-N227 PolarHBondContact O-N 2.94Å; N227-E229 VanDerWaalsContact C-N 3.3Å; N227-E229 PolarHBondContact O-N 2.84Å; N227-E229 VanDerWaalsContact OD1-CB 3.31Å; N227-E229 WeakPolarHBondContact OD1-CB 3.41Å; N227-E229 PolarHBondContact OD1-N 3.21Å; N227-E229 VanDerWaalsContact OD1-N 3.1Å; N227-D230 PolarHBondContact ND2-OD2 3.19Å; N227-D230 PolarHBondContact OD1-N 3.2Å; N227-M231 WeakPolarHBondContact O-CG 3.44Å; N227-M231 PolarHBondContact O-N 3.21Å
228I98.2Very high98.1Very high76 Ų7672.5 Ų72.539%0.3937%0.367SS..Hα-helixtrans-67.2-31.4-174.6-163.468.2000112.7D179 K180 V183 S232D179-I228 HydrophobicContact CB-CD1 3.61Å; K180-I228 HydrophobicContact CG-CD1 4.12Å; V183-I228 HydrophobicContact CG2-CB 4.42Å; V183-I228 HydrophobicContact CG2-CD1 4.29Å; I228-S232 WeakPolarHBondContact O-CB 3.33Å; I228-S232 PolarHBondContact O-N 3.15Å
229E97.5Very high98.1Very high121 Ų12170.6 Ų70.657%0.56535%0.353SS*.Hα-helixtrans-63.8-47.6-178.4-164.6-162.3135.200110.3N227 S232 K233N227-E229 VanDerWaalsContact C-N 3.3Å; N227-E229 PolarHBondContact O-N 2.84Å; N227-E229 VanDerWaalsContact OD1-CB 3.31Å; N227-E229 WeakPolarHBondContact OD1-CB 3.41Å; N227-E229 PolarHBondContact OD1-N 3.21Å; N227-E229 VanDerWaalsContact OD1-N 3.1Å; E229-S232 PolarHBondContact O-N 2.81Å; E229-S232 PolarHBondContact O-OG 2.69Å; E229-K233 WeakPolarHBondContact O-CG 3.17Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.48Å; E229-K233 PolarHBondContact OE1-NZ 3.34Å
230D97.1Very high98Very high83 Ų8375.9 Ų75.944%0.44439%0.386SS..Hα-helixtrans-71.9-37.6-179.4-67.8-29000112.6N227 S232 K233N227-D230 PolarHBondContact ND2-OD2 3.19Å; N227-D230 PolarHBondContact OD1-N 3.2Å; D230-S232 VanDerWaalsContact C-N 3.32Å; D230-S232 PolarHBondContact O-N 3.29Å; D230-K233 PolarHBondContact O-N 2.89Å; D230-K233 IonicContact OD1-NZ 2.78Å; D230-K233 PolarHBondContact OD1-NZ 3.28Å
231M97.4Very high97.9Very high9 Ų977.2 Ų77.24%0.04440%0.395CS..Hα-helixtrans-62.6-40.4174.4-68-158.9-175.900111.8R175 D179 A182 V183 Q186 N227 K233 L234 A249R175-M231 PolarHBondContact NH2-O 2.85Å; D179-M231 HydrophobicContact CB-CB 4.12Å; A182-M231 HydrophobicContact CB-CE 3.98Å; A182-M231 HydrophobicContact CB-SD 3.55Å; A182-M231 VanDerWaalsContact CB-SD 3.55Å; V183-M231 HydrophobicContact CB-CE 4.4Å; V183-M231 HydrophobicContact CG2-CE 3.72Å; V183-M231 HydrophobicContact CG2-CG 4.17Å; V183-M231 HydrophobicContact CG2-SD 3.53Å; V183-M231 VanDerWaalsContact CG2-SD 3.53Å; Q186-M231 HydrophobicContact CG-CE 4.07Å; N227-M231 WeakPolarHBondContact O-CG 3.44Å; N227-M231 PolarHBondContact O-N 3.21Å; M231-K233 PolarHBondContact O-N 2.85Å; M231-L234 PolarHBondContact O-N 3.43Å; M231-L234 VanDerWaalsContact O-N 3.16Å; M231-A249 HydrophobicContact CB-CB 4.33Å; M231-A249 HydrophobicContact CE-CB 4.47Å; M231-A249 HydrophobicContact CG-CB 3.87Å; M231-A249 HydrophobicContact SD-CB 3.99Å
232S97Very high97.7Very high69 Ų6979.1 Ų79.148%0.48343%0.425SS..Hα-helixtrans-62.6-26.4-178.676.30000113.7R175 I228 E229 D230 L234R175-S232 PolarHBondContact NH2-O 2.69Å; I228-S232 WeakPolarHBondContact O-CB 3.33Å; I228-S232 PolarHBondContact O-N 3.15Å; E229-S232 PolarHBondContact O-N 2.81Å; E229-S232 PolarHBondContact O-OG 2.69Å; D230-S232 VanDerWaalsContact C-N 3.32Å; D230-S232 PolarHBondContact O-N 3.29Å; S232-L234 VanDerWaalsContact C-N 3.3Å; S232-L234 PolarHBondContact O-N 2.77Å
233K98Very high97.6Very high120 Ų12082.7 Ų82.752%0.52245%0.446SS..THydrogen-bonded Turntrans-74-18.6-179.9-65.8165.8-166160.70113.1E229 D230 M231E229-K233 WeakPolarHBondContact O-CG 3.17Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.48Å; E229-K233 PolarHBondContact OE1-NZ 3.34Å; D230-K233 PolarHBondContact O-N 2.89Å; D230-K233 IonicContact OD1-NZ 2.78Å; D230-K233 PolarHBondContact OD1-NZ 3.28Å; M231-K233 PolarHBondContact O-N 2.85Å
234L98Very high97.6Very high74 Ų7478.9 Ų78.939%0.38744%0.436SS..PPolyproline II helixtrans-73.4139.1-177.3-62.5-173.8000112R175 M231 S232 T247 A249R175-L234 PolarHBondContact NH1-O 3.15Å; R175-L234 PolarHBondContact NH2-O 3.37Å; M231-L234 PolarHBondContact O-N 3.43Å; M231-L234 VanDerWaalsContact O-N 3.16Å; S232-L234 VanDerWaalsContact C-N 3.3Å; S232-L234 PolarHBondContact O-N 2.77Å; L234-T247 HydrophobicContact CB-CG2 4.22Å; L234-A249 HydrophobicContact CD1-CB 3.4Å
235K98.2Very high97.6Very high178 Ų17875.2 Ų75.277%0.77442%0.421SS*.PPolyproline II helixtrans-78.2146.2175.7-63.9-177.7-178.2179.60110.5
236P98.5Very high97.6Very high39 Ų3972.7 Ų72.725%0.25340%0.395SS..PPolyproline II helixtrans-53.3138.5167-25.135.5000111.3L239 G244 V246P236-L239 WeakPolarHBondContact CB-O 3.22Å; P236-G244 VanDerWaalsContact CG-C 3.47Å; P236-G244 WeakPolarHBondContact CG-O 3.25Å; P236-V246 VanDerWaalsContact CA-O 3.3Å; P236-V246 WeakPolarHBondContact CA-O 3.41Å
237Y98.2Very high97.7Very high157 Ų15771.8 Ų71.862%0.61639%0.388SS*.SBendtrans-99.2-41.8-174.6-174-95000112.9V246 P248Y237-V246 PolarHBondContact N-O 3.49Å; Y237-P248 HydrophobicContact CD2-CG 4.27Å; Y237-P248 HydrophobicContact CG-CG 4.46Å
238F97.8Very high97.7Very high46 Ų4672.5 Ų72.520%0.20240%0.396CS..SBendtrans-91-39.7-172.3-58.2-75.1000113.1H159 I162 V246 F324H159-F238 HydrophobicContact CB-CD1 3.98Å; H159-F238 HydrophobicContact CB-CE1 4.29Å; H159-F238 AromaticContact CD2-CE1 3.85Å; H159-F238 AromaticContact CE1-CE1 3.33Å; H159-F238 WeakPolarHBondContact CE1-CE1 3.42Å; H159-F238 AromaticContact CE1-CZ 3.79Å; H159-F238 AromaticContact CG-CD1 3.75Å; H159-F238 AromaticContact CG-CE1 3.55Å; H159-F238 AromaticContact ND1-CD1 3.71Å; H159-F238 AromaticContact ND1-CE1 3.2Å; H159-F238 WeakPolarHBondContact ND1-CE1 3.35Å; H159-F238 AromaticContact ND1-CZ 3.87Å; H159-F238 AromaticContact NE2-CE1 3.71Å; I162-F238 HydrophobicContact CD1-CB 3.96Å; I162-F238 WeakPolarHBondContact CD1-O 3.42Å; F238-V246 HydrophobicContact CD2-CB 4.06Å; F238-V246 HydrophobicContact CD2-CG1 3.6Å; F238-V246 HydrophobicContact CE2-CG1 3.67Å; F238-F324 AromaticContact CE2-CE1 3.73Å; F238-F324 HydrophobicContact CE2-CE1 3.73Å; F238-F324 HydrophobicContact CZ-CE1 4.12Å
239L97.7Very high97.7Very high48 Ų4869 Ų6925%0.25138%0.379SS..  trans-115.4107.8179.3-177.460.7000109.8I162 E165 P236 D241 T243 G244I162-L239 HydrophobicContact CD1-CB 4.18Å; E165-L239 HydrophobicContact CB-CD2 4.34Å; E165-L239 HydrophobicContact CG-CB 4Å; E165-L239 HydrophobicContact CG-CD2 4.27Å; P236-L239 WeakPolarHBondContact CB-O 3.22Å; L239-D241 WeakPolarHBondContact CG-OD1 3.3Å; L239-T243 WeakPolarHBondContact CD2-OG1 3.43Å; L239-G244 WeakPolarHBondContact O-CA 3.36Å
240T96.6Very high97.7Very high119 Ų11963.3 Ų63.373%0.7335%0.352SS*.THydrogen-bonded Turntrans-107.810.9-169.1600000114G242T240-G242 PolarHBondContact O-N 2.71Å
241D96Very high97.8Very high110 Ų11059.6 Ų59.659%0.58833%0.333SS*.THydrogen-bonded Turntrans-78.35.4-179.369.7-2.9000114L239 T243L239-D241 WeakPolarHBondContact CG-OD1 3.3Å; D241-T243 WeakPolarHBondContact OD1-CB 3.48Å; D241-T243 PolarHBondContact OD1-N 3.34Å; D241-T243 PolarHBondContact OD1-OG1 2.87Å; D241-T243 PolarHBondContact OD2-OG1 2.88Å
242G95.4Very high97.8Very high75 Ų7560.3 Ų60.377%0.77334%0.339SS*.THydrogen-bonded Turntrans94-6-176.100000114.6T240T240-G242 PolarHBondContact O-N 2.71Å
243T96.9Very high97.9Very high93 Ų9357.8 Ų57.857%0.57132%0.323SS*.THydrogen-bonded Turntrans-103.8-8178.370.40000114.2L239 D241L239-T243 WeakPolarHBondContact CD2-OG1 3.43Å; D241-T243 WeakPolarHBondContact OD1-CB 3.48Å; D241-T243 PolarHBondContact OD1-N 3.34Å; D241-T243 PolarHBondContact OD1-OG1 2.87Å; D241-T243 PolarHBondContact OD2-OG1 2.88Å
244G98.1Very high97.9Very high12 Ų1254.5 Ų54.512%0.12431%0.311CS..  trans-65150.9-18000000113.9E165 P236 L239E165-G244 WeakPolarHBondContact OE1-CA 3.45Å; P236-G244 VanDerWaalsContact CG-C 3.47Å; P236-G244 WeakPolarHBondContact CG-O 3.25Å; L239-G244 WeakPolarHBondContact O-CA 3.36Å
245T98.8Very high98Very high25 Ų2551 Ų5115%0.15329%0.293CS..  trans-130.1-21.8-177.462.60000112.9E165 R175 Q178 N250E165-T245 VanDerWaalsContact CD-N 3.3Å; E165-T245 PolarHBondContact OE1-N 2.93Å; E165-T245 PolarHBondContact OE2-N 3.5Å; E165-T245 PolarHBondContact OE2-OG1 3.38Å; R175-T245 HydrophobicContact CB-CG2 4.24Å; R175-T245 WeakPolarHBondContact CD-O 3.47Å; Q178-T245 VanDerWaalsContact NE2-CB 3.3Å; Q178-T245 PolarHBondContact NE2-OG1 3.37Å; T245-N250 PolarHBondContact O-ND2 2.83Å; T245-N250 VanDerWaalsContact O-ND2 3.15Å
246V98.8Very high98Very high0 Ų042.5 Ų42.50%026%0.256CS..  trans-84126.4-177.2-179.10000110.5A164 E165 P236 Y237 F238 N250 A251 F324A164-V246 HydrophobicContact CB-CG2 3.94Å; E165-V246 HydrophobicContact CG-CG2 4.04Å; E165-V246 WeakPolarHBondContact OE1-CB 3.3Å; E165-V246 PolarHBondContact OE1-N 2.89Å; P236-V246 VanDerWaalsContact CA-O 3.3Å; P236-V246 WeakPolarHBondContact CA-O 3.41Å; Y237-V246 PolarHBondContact N-O 3.49Å; F238-V246 HydrophobicContact CD2-CB 4.06Å; F238-V246 HydrophobicContact CD2-CG1 3.6Å; F238-V246 HydrophobicContact CE2-CG1 3.67Å; V246-N250 WeakPolarHBondContact CA-OD1 3.48Å; V246-A251 HydrophobicContact CG1-CB 4.21Å; V246-F324 HydrophobicContact CG1-CD1 3.53Å; V246-F324 HydrophobicContact CG1-CE1 3.93Å
247T98.8Very high98Very high0 Ų040.7 Ų40.70%025%0.245CC..  trans-125.6167.2-178.473.30000111.3L234 A249 N250 A251L234-T247 HydrophobicContact CB-CG2 4.22Å; T247-A249 PolarHBondContact O-N 2.68Å; T247-A249 VanDerWaalsContact O-N 3.15Å; T247-A249 PolarHBondContact OG1-N 3.2Å; T247-N250 PolarHBondContact N-OD1 3.44Å; T247-N250 PolarHBondContact O-N 3.39Å; T247-N250 PolarHBondContact O-OD1 3.39Å; T247-N250 PolarHBondContact OG1-N 3Å; T247-N250 PolarHBondContact OG1-ND2 2.82Å; T247-A251 WeakPolarHBondContact O-CB 3.38Å; T247-A251 PolarHBondContact O-N 2.85Å; T247-A251 VanDerWaalsContact O-N 3.11Å
248P98.4Very high98.1Very high68 Ų6833.4 Ų33.444%0.44222%0.217SC..THydrogen-bonded Turntrans-63.3-15.9172.8-22.735.8000114.3Y237Y237-P248 HydrophobicContact CD2-CG 4.27Å; Y237-P248 HydrophobicContact CG-CG 4.46Å
249A98.1Very high98.1Very high4 Ų431.2 Ų31.23%0.03321%0.207CC..THydrogen-bonded Turntrans-83.6-29176.300000113.5A182 R223 M231 L234 T247 I349A182-A249 WeakPolarHBondContact CB-O 3.37Å; R223-A249 PolarHBondContact NH2-O 2.86Å; M231-A249 HydrophobicContact CB-CB 4.33Å; M231-A249 HydrophobicContact CE-CB 4.47Å; M231-A249 HydrophobicContact CG-CB 3.87Å; M231-A249 HydrophobicContact SD-CB 3.99Å; L234-A249 HydrophobicContact CD1-CB 3.4Å; T247-A249 PolarHBondContact O-N 2.68Å; T247-A249 VanDerWaalsContact O-N 3.15Å; T247-A249 PolarHBondContact OG1-N 3.2Å; A249-I349 VanDerWaalsContact O-CG2 3.31Å; A249-I349 WeakPolarHBondContact O-CG2 3.5Å
250N98.6Very high98.2Very high0 Ų028.9 Ų28.90%020%0.195CC..THydrogen-bonded Turntrans-110.511.9-176.969.529.6000113.4Q178 D179 A182 T245 V246 T247 A325Q178-N250 HydrophobicContact CB-CB 4.19Å; D179-N250 PolarHBondContact OD1-ND2 2.85Å; A182-N250 HydrophobicContact CB-CB 3.88Å; T245-N250 PolarHBondContact O-ND2 2.83Å; T245-N250 VanDerWaalsContact O-ND2 3.15Å; V246-N250 WeakPolarHBondContact CA-OD1 3.48Å; T247-N250 PolarHBondContact N-OD1 3.44Å; T247-N250 PolarHBondContact O-N 3.39Å; T247-N250 PolarHBondContact O-OD1 3.39Å; T247-N250 PolarHBondContact OG1-N 3Å; T247-N250 PolarHBondContact OG1-ND2 2.82Å; N250-A325 HydrophobicContact CB-CB 3.94Å; N250-A325 VanDerWaalsContact O-CB 3.32Å; N250-A325 WeakPolarHBondContact O-CB 3.42Å; N250-A325 PolarHBondContact O-N 2.97Å
251A98.7Very high98.3Very high5 Ų523.2 Ų23.24%0.04116%0.16CC..BIsolated β-bridgetrans-112.5154.5168.800000110.3V246 T247 F324V246-A251 HydrophobicContact CG1-CB 4.21Å; T247-A251 WeakPolarHBondContact O-CB 3.38Å; T247-A251 PolarHBondContact O-N 2.85Å; T247-A251 VanDerWaalsContact O-N 3.11Å; A251-F324 HydrophobicContact CB-CD1 3.45Å; A251-F324 VanDerWaalsContact CB-CD1 3.45Å; A251-F324 HydrophobicContact CB-CE1 3.63Å
252S98.3Very high98.4Very high24 Ų2418 Ų1817%0.16813%0.132CC..  trans-68.8158.1168.265.50000111.9A323 A348 H353S252-A323 PolarHBondContact N-O 3.16Å; S252-A323 PolarHBondContact OG-O 3.11Å; S252-A323 VanDerWaalsContact OG-O 3.12Å; S252-A348 WeakPolarHBondContact CB-O 3.31Å; S252-H353 WeakPolarHBondContact OG-CB 3.31Å
253G98.2Very high98.6Very high16 Ų1614.4 Ų14.417%0.16510%0.095CC..  trans-77.5174.1174.800000114.7N255G253-N255 VanDerWaalsContact CA-OD1 3.26Å; G253-N255 WeakPolarHBondContact CA-OD1 3.31Å; G253-N255 PolarHBondContact O-OD1 3.36Å
254I98.8Very high98.7Very high51 Ų5110 Ų1026%0.2627%0.068SC..  trans-88.3129.7156.5-67.9171.2000106.2F21 M122 I146 L151F21-I254 HydrophobicContact CB-CB 4.03Å; F21-I254 HydrophobicContact CB-CG2 3.92Å; F21-I254 WeakPolarHBondContact CB-O 3.37Å; F21-I254 HydrophobicContact CD1-CG2 4.4Å; F21-I254 HydrophobicContact CD2-CB 4.28Å; F21-I254 HydrophobicContact CD2-CG2 3.32Å; F21-I254 HydrophobicContact CE2-CG2 3.82Å; F21-I254 HydrophobicContact CG-CB 4.11Å; F21-I254 HydrophobicContact CG-CG2 3.66Å; F21-I254 PolarHBondContact N-O 2.83Å; F21-I254 VanDerWaalsContact N-O 3.15Å; M122-I254 HydrophobicContact CB-CG2 3.5Å; M122-I254 VanDerWaalsContact CB-CG2 3.5Å; M122-I254 HydrophobicContact CE-CB 4.36Å; M122-I254 HydrophobicContact CE-CG1 4.17Å; M122-I254 HydrophobicContact CE-CG2 3.8Å; M122-I254 HydrophobicContact CG-CG2 4.24Å; M122-I254 HydrophobicContact SD-CB 4.43Å; M122-I254 HydrophobicContact SD-CG2 3.81Å; I146-I254 HydrophobicContact CD1-CG2 4.44Å; I146-I254 HydrophobicContact CG2-CD1 4.22Å; L151-I254 HydrophobicContact CD1-CD1 4.28Å; L151-I254 HydrophobicContact CD1-CG1 4.33Å
255N98.9Very high98.7Very high0 Ų012.5 Ų12.50%08%0.076CC..EExtended strand (participates in β ladder)trans-150.1163.7-167.1-65.8100.5000113I18 G19 M122 G253 G352 H353 P354I18-N255 HydrophobicContact CG2-CB 3.58Å; G19-N255 VanDerWaalsContact O-CA 3.29Å; G19-N255 WeakPolarHBondContact O-CA 3.48Å; G19-N255 VanDerWaalsContact O-CB 3.29Å; G19-N255 WeakPolarHBondContact O-CB 3.29Å; G19-N255 PolarHBondContact O-ND2 2.64Å; M122-N255 VanDerWaalsContact CG-O 3.22Å; M122-N255 WeakPolarHBondContact CG-O 3.34Å; G253-N255 VanDerWaalsContact CA-OD1 3.26Å; G253-N255 WeakPolarHBondContact CA-OD1 3.31Å; G253-N255 PolarHBondContact O-OD1 3.36Å; N255-G352 VanDerWaalsContact CG-CA 3.43Å; N255-G352 WeakPolarHBondContact OD1-CA 3.45Å; N255-H353 PolarHBondContact OD1-N 2.93Å; N255-P354 HydrophobicContact CB-CB 4.47Å; N255-P354 WeakPolarHBondContact O-CA 3.29Å; N255-P354 WeakPolarHBondContact O-CB 3.13Å
256D98.9Very high98.7Very high0 Ų014.8 Ų14.80%08%0.084CC..EExtended strand (participates in β ladder)trans-117.3143.9179.4-55.7-33.4000110.1I18 G19 L25 E120 N121 M122 S123I18-D256 WeakPolarHBondContact CA-O 3.37Å; G19-D256 PolarHBondContact N-O 3.41Å; G19-D256 PolarHBondContact O-N 3.11Å; G19-D256 VanDerWaalsContact O-N 3.08Å; L25-D256 HydrophobicContact CB-CB 3.85Å; L25-D256 HydrophobicContact CD1-CB 4.27Å; E120-D256 WeakPolarHBondContact O-CA 3.41Å; N121-D256 VanDerWaalsContact C-OD1 3.31Å; N121-D256 WeakPolarHBondContact CA-OD1 3.37Å; N121-D256 PolarHBondContact OD1-OD1 3.24Å; M122-D256 PolarHBondContact N-OD1 3.43Å; S123-D256 VanDerWaalsContact CB-OD2 3.26Å; S123-D256 WeakPolarHBondContact CB-OD2 3.38Å; S123-D256 PolarHBondContact N-OD1 2.7Å; S123-D256 VanDerWaalsContact OG-CG 3.27Å; S123-D256 PolarHBondContact OG-OD1 3.26Å; S123-D256 PolarHBondContact OG-OD2 3.06Å
257G98.9Very high98.7Very high2 Ų217.4 Ų17.42%0.02110%0.102CC..EExtended strand (participates in β ladder)trans166.5170.3173.900000114.1T16 E120 A357T16-G257 WeakPolarHBondContact OG1-CA 3.44Å; E120-G257 PolarHBondContact N-O 2.9Å; E120-G257 PolarHBondContact O-N 3.11Å; E120-G257 VanDerWaalsContact O-O 3.11Å; G257-A357 WeakPolarHBondContact O-CB 2.97Å
258A98.9Very high98.6Very high3 Ų318.7 Ų18.73%0.02511%0.108CC..EExtended strand (participates in β ladder)trans-137.6154.8172.600000111.3R15 T16 L33 V37 G118 M119R15-A258 CarbonylContact C-O 3.52Å; R15-A258 VanDerWaalsContact CA-O 3.31Å; R15-A258 WeakPolarHBondContact CA-O 3.35Å; T16-A258 HydrophobicContact CG2-CB 4.26Å; T16-A258 PolarHBondContact N-O 3.5Å; T16-A258 PolarHBondContact OG1-N 2.77Å; T16-A258 PolarHBondContact OG1-O 3.24Å; L33-A258 HydrophobicContact CB-CB 3.85Å; V37-A258 HydrophobicContact CG1-CB 4.21Å; V37-A258 HydrophobicContact CG2-CB 3.79Å; G118-A258 CarbonylContact O-C 3.59Å; G118-A258 VanDerWaalsContact O-CA 3.27Å; G118-A258 WeakPolarHBondContact O-CA 3.26Å; M119-A258 HydrophobicContact CB-CB 3.77Å
259A98.9Very high98.6Very high0 Ų015.4 Ų15.40%09%0.087CC..EExtended strand (participates in β ladder)trans-144.5145.2175.100000109.9A14 R15 G117 G118 C360 R361 V364A14-A259 WeakPolarHBondContact O-CA 3.34Å; R15-A259 HydrophobicContact CB-CB 3.86Å; G117-A259 CarbonylContact C-O 3.57Å; G117-A259 WeakPolarHBondContact CA-O 3.17Å; G118-A259 PolarHBondContact N-O 3.16Å; G118-A259 PolarHBondContact O-N 3.25Å; A259-C360 HydrophobicContact CB-CB 3.95Å; A259-R361 HydrophobicContact CB-CB 4.09Å; A259-V364 HydrophobicContact CB-CG2 4.15Å
260A99Very high98.6Very high0 Ų019.3 Ų19.30%011%0.107CC..EExtended strand (participates in β ladder)trans-143.5157.5-178.500000112.1A13 A14 V37 V41 F57 A116A13-A260 WeakPolarHBondContact CA-O 3.33Å; A14-A260 PolarHBondContact N-O 2.94Å; A14-A260 PolarHBondContact O-N 3.18Å; V37-A260 HydrophobicContact CB-CB 3.85Å; V37-A260 HydrophobicContact CG2-CB 3.74Å; V41-A260 HydrophobicContact CG1-CB 3.96Å; V41-A260 WeakPolarHBondContact CG1-O 3.37Å; V41-A260 HydrophobicContact CG2-CB 3.93Å; F57-A260 HydrophobicContact CZ-CB 3.78Å; A116-A260 CarbonylContact O-C 3.53Å; A116-A260 VanDerWaalsContact O-CA 3.32Å; A116-A260 WeakPolarHBondContact O-CA 3.47Å
261V98.9Very high98.6Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-139.1152.4172.3-68.30000110.3I10 S12 A13 V99 A116 L263 V364 L367I10-V261 HydrophobicContact CG2-CB 3.93Å; I10-V261 HydrophobicContact CG2-CG1 4Å; S12-V261 CarbonylContact O-C 3.57Å; S12-V261 WeakPolarHBondContact O-CA 3.42Å; A13-V261 HydrophobicContact CB-CG1 3.88Å; V99-V261 HydrophobicContact CG1-CG2 4.24Å; V99-V261 HydrophobicContact CG2-CG2 3.79Å; A116-V261 HydrophobicContact CB-CG2 4.16Å; A116-V261 PolarHBondContact N-O 2.74Å; A116-V261 WeakPolarHBondContact O-CG2 3.5Å; A116-V261 PolarHBondContact O-N 3.22Å; V261-L263 HydrophobicContact CB-CD1 4.46Å; V261-L263 HydrophobicContact CG2-CD1 3.61Å; V261-L263 HydrophobicContact CG2-CG 4.5Å; V261-V364 HydrophobicContact CG1-CG2 4.28Å; V261-L367 HydrophobicContact CG1-CD1 4.42Å
262V98.9Very high98.6Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-105125.4169.6178.80000108.9I10 V11 S12 V41 L42 A45 I113 V115 M264I10-V262 WeakPolarHBondContact CA-O 3.45Å; V11-V262 HydrophobicContact CG2-CB 4.08Å; V11-V262 HydrophobicContact CG2-CG1 3.82Å; V11-V262 WeakPolarHBondContact CG2-O 3.21Å; V11-V262 PolarHBondContact N-O 3.09Å; S12-V262 PolarHBondContact O-N 2.97Å; V41-V262 HydrophobicContact CB-CG2 3.85Å; V41-V262 HydrophobicContact CG2-CG2 3.61Å; L42-V262 HydrophobicContact CD2-CG2 4.24Å; A45-V262 HydrophobicContact CB-CB 4.29Å; A45-V262 HydrophobicContact CB-CG1 4.31Å; A45-V262 HydrophobicContact CB-CG2 4.19Å; I113-V262 HydrophobicContact CG2-CG1 3.89Å; V115-V262 HydrophobicContact CG2-CG2 4.49Å; V262-M264 HydrophobicContact CG1-CE 3.99Å
263L98.9Very high98.6Very high0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-114.1146178.3-59.891.5000111.5V8 V9 I10 V99 A102 A103 I106 I113 V114 A116 V261 I280V8-L263 HydrophobicContact CG1-CB 4.14Å; V8-L263 HydrophobicContact CG1-CD2 3.86Å; V9-L263 VanDerWaalsContact O-CA 3.32Å; V9-L263 WeakPolarHBondContact O-CA 3.31Å; I10-L263 HydrophobicContact CG1-CG 4.38Å; V99-L263 HydrophobicContact CG1-CD1 4.39Å; V99-L263 HydrophobicContact CG1-CD2 3.85Å; A102-L263 HydrophobicContact CB-CD1 3.9Å; A102-L263 HydrophobicContact CB-CD2 4.01Å; A102-L263 HydrophobicContact CB-CG 4.46Å; A103-L263 HydrophobicContact CB-CD2 4.49Å; I106-L263 HydrophobicContact CD1-CB 3.52Å; I113-L263 WeakPolarHBondContact CA-O 3.48Å; V114-L263 PolarHBondContact N-O 3.33Å; V114-L263 PolarHBondContact O-N 3.13Å; A116-L263 HydrophobicContact CB-CD1 3.53Å; V261-L263 HydrophobicContact CB-CD1 4.46Å; V261-L263 HydrophobicContact CG2-CD1 3.61Å; V261-L263 HydrophobicContact CG2-CG 4.5Å; L263-I280 HydrophobicContact CD2-CD1 3.52Å
264M98.8Very high98.5Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-157.9174.1169.658.2-170.262.800109.7V8 V9 V11 V47 S112 I113 V262 E268 A269 L274V8-M264 WeakPolarHBondContact CA-O 3.5Å; V9-M264 HydrophobicContact CG2-CG 4.15Å; V9-M264 WeakPolarHBondContact CG2-O 3.25Å; V9-M264 PolarHBondContact N-O 3.32Å; V9-M264 PolarHBondContact O-N 2.99Å; V9-M264 VanDerWaalsContact O-N 3.17Å; V11-M264 HydrophobicContact CG1-SD 4.47Å; V11-M264 HydrophobicContact CG2-CE 3.55Å; V11-M264 HydrophobicContact CG2-CG 4.11Å; V11-M264 HydrophobicContact CG2-SD 3.97Å; V47-M264 HydrophobicContact CG2-CE 3.94Å; S112-M264 WeakPolarHBondContact O-CA 3.34Å; I113-M264 HydrophobicContact CD1-CE 3.92Å; I113-M264 HydrophobicContact CG1-CB 4.24Å; I113-M264 HydrophobicContact CG1-CE 4.04Å; I113-M264 HydrophobicContact CG2-CE 4.1Å; V262-M264 HydrophobicContact CG1-CE 3.99Å; M264-E268 HydrophobicContact CB-CB 4.28Å; M264-E268 HydrophobicContact CB-CG 4.34Å; M264-E268 HydrophobicContact SD-CB 4.48Å; M264-E268 HydrophobicContact SD-CG 4.23Å; M264-A269 HydrophobicContact CG-CB 4.09Å; M264-A269 HydrophobicContact SD-CB 3.83Å; M264-L274 HydrophobicContact CE-CD1 4.06Å; M264-L274 HydrophobicContact SD-CD1 3.97Å
265K98.6Very high98.4Very high65 Ų6537.1 Ų37.128%0.28320%0.202SC..EExtended strand (participates in β ladder)trans-68.2152.2167.3-69.6-170.8178.21780110.7D6 P7 I106 S267 E268 A269D6-K265 WeakPolarHBondContact OD2-CD 3.31Å; P7-K265 CarbonylContact O-C 3.54Å; I106-K265 HydrophobicContact CG2-CD 4.47Å; I106-K265 HydrophobicContact CG2-CG 3.48Å; I106-K265 VanDerWaalsContact CG2-CG 3.48Å; I106-K265 WeakPolarHBondContact O-CE 3.39Å; K265-S267 PolarHBondContact O-N 2.85Å; K265-E268 PolarHBondContact O-N 3.29Å; K265-E268 VanDerWaalsContact O-N 3.11Å; K265-A269 PolarHBondContact O-N 3.32Å
266K98.3Very high98.4Very high73 Ų7338.5 Ų38.532%0.31721%0.211SC..Hα-helixtrans-56.5-42.4174.7-169.2-170.1178.1-52.20111.1D6 P7 V9 E268 A269 D270D6-K266 PolarHBondContact OD1-N 2.85Å; P7-K266 HydrophobicContact CG-CB 4.09Å; P7-K266 HydrophobicContact CG-CD 4.38Å; P7-K266 PolarHBondContact O-N 3.48Å; V9-K266 HydrophobicContact CG1-CB 3.78Å; V9-K266 HydrophobicContact CG1-CG 4.12Å; K266-E268 VanDerWaalsContact C-N 3.28Å; K266-E268 PolarHBondContact O-N 2.91Å; K266-A269 WeakPolarHBondContact O-CB 3.48Å; K266-A269 PolarHBondContact O-N 2.8Å; K266-D270 IonicContact NZ-OD1 3.2Å; K266-D270 PolarHBondContact NZ-OD1 3.28Å; K266-D270 IonicContact NZ-OD2 2.69Å; K266-D270 PolarHBondContact NZ-OD2 3.35Å; K266-D270 WeakPolarHBondContact O-CB 3.35Å; K266-D270 PolarHBondContact O-N 2.73Å
267S97.9Very high98.3Very high55 Ų5540 Ų4039%0.38522%0.219SC..Hα-helixtrans-59-36.417760.50000113.6D6 K265 K271D6-S267 VanDerWaalsContact CG-OG 3.24Å; D6-S267 WeakPolarHBondContact OD1-CB 3.28Å; D6-S267 PolarHBondContact OD1-N 3.24Å; D6-S267 PolarHBondContact OD1-OG 3.49Å; D6-S267 VanDerWaalsContact OD2-CB 3.31Å; D6-S267 WeakPolarHBondContact OD2-CB 3.47Å; D6-S267 PolarHBondContact OD2-OG 3.32Å; K265-S267 PolarHBondContact O-N 2.85Å; S267-K271 VanDerWaalsContact O-CB 3.32Å; S267-K271 WeakPolarHBondContact O-CB 3.39Å; S267-K271 PolarHBondContact O-N 3.41Å
268E98.4Very high98.3Very high26 Ų2640 Ų4012%0.12122%0.219CC..Hα-helixtrans-73.5-38.9176.3-175.761-160.500111.3M264 K265 K266 K271 R272M264-E268 HydrophobicContact CB-CB 4.28Å; M264-E268 HydrophobicContact CB-CG 4.34Å; M264-E268 HydrophobicContact SD-CB 4.48Å; M264-E268 HydrophobicContact SD-CG 4.23Å; K265-E268 PolarHBondContact O-N 3.29Å; K265-E268 VanDerWaalsContact O-N 3.11Å; K266-E268 VanDerWaalsContact C-N 3.28Å; K266-E268 PolarHBondContact O-N 2.91Å; E268-K271 PolarHBondContact O-N 3.19Å; E268-K271 IonicContact OE2-NZ 3.86Å; E268-R272 WeakPolarHBondContact O-CB 3.47Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.79Å; E268-R272 VanDerWaalsContact O-N 3.08Å; E268-R272 IonicContact OE1-CZ 3.22Å; E268-R272 IonicContact OE1-NE 2.72Å; E268-R272 PolarHBondContact OE1-NE 3.07Å; E268-R272 IonicContact OE1-NH2 2.82Å; E268-R272 PolarHBondContact OE1-NH2 3.29Å
269A98.3Very high98.3Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-61.1-46.5171.900000111.3V9 V11 M264 K265 K266 K271 R272 G273 L274 P276V9-A269 HydrophobicContact CG2-CB 3.9Å; V11-A269 HydrophobicContact CG1-CB 4.1Å; M264-A269 HydrophobicContact CG-CB 4.09Å; M264-A269 HydrophobicContact SD-CB 3.83Å; K265-A269 PolarHBondContact O-N 3.32Å; K266-A269 WeakPolarHBondContact O-CB 3.48Å; K266-A269 PolarHBondContact O-N 2.8Å; A269-K271 PolarHBondContact O-N 3.32Å; A269-R272 CarbonylContact O-C 3.51Å; A269-R272 PolarHBondContact O-N 2.64Å; A269-R272 VanDerWaalsContact O-N 3.14Å; A269-G273 PolarHBondContact O-N 2.92Å; A269-L274 HydrophobicContact CB-CB 4.3Å; A269-L274 PolarHBondContact O-N 3.36Å; A269-P276 HydrophobicContact CB-CG 4.15Å
270D97.9Very high98.3Very high86 Ų8642.6 Ų42.646%0.4623%0.231SC..Hα-helixtrans-60.1-44.8177.2-67.1-18.2000111K266 R272 G273K266-D270 IonicContact NZ-OD1 3.2Å; K266-D270 PolarHBondContact NZ-OD1 3.28Å; K266-D270 IonicContact NZ-OD2 2.69Å; K266-D270 PolarHBondContact NZ-OD2 3.35Å; K266-D270 WeakPolarHBondContact O-CB 3.35Å; K266-D270 PolarHBondContact O-N 2.73Å; D270-R272 PolarHBondContact O-N 3.27Å; D270-G273 PolarHBondContact O-N 3.41Å; D270-G273 VanDerWaalsContact O-N 3.07Å
271K98.1Very high98.3Very high166 Ų16644.4 Ų44.472%0.72224%0.242SC*.Hα-helixtrans-60.3-33.2176.5-179.4-175.2171.5-164.50112.7S267 E268 A269S267-K271 VanDerWaalsContact O-CB 3.32Å; S267-K271 WeakPolarHBondContact O-CB 3.39Å; S267-K271 PolarHBondContact O-N 3.41Å; E268-K271 PolarHBondContact O-N 3.19Å; E268-K271 IonicContact OE2-NZ 3.86Å; A269-K271 PolarHBondContact O-N 3.32Å
272R98.1Very high98.3Very high86 Ų8644.8 Ų44.833%0.32524%0.244SC..THydrogen-bonded Turntrans-88.2-3.7178-69.2176.4176.5-98.5-3113.5D51 E268 A269 D270 L274D51-R272 IonicContact OD2-CZ 2.84Å; D51-R272 IonicContact OD2-NH1 3.37Å; D51-R272 PolarHBondContact OD2-NH1 3.04Å; D51-R272 IonicContact OD2-NH2 3.21Å; D51-R272 PolarHBondContact OD2-NH2 2.99Å; E268-R272 WeakPolarHBondContact O-CB 3.47Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.79Å; E268-R272 VanDerWaalsContact O-N 3.08Å; E268-R272 IonicContact OE1-CZ 3.22Å; E268-R272 IonicContact OE1-NE 2.72Å; E268-R272 PolarHBondContact OE1-NE 3.07Å; E268-R272 IonicContact OE1-NH2 2.82Å; E268-R272 PolarHBondContact OE1-NH2 3.29Å; A269-R272 CarbonylContact O-C 3.51Å; A269-R272 PolarHBondContact O-N 2.64Å; A269-R272 VanDerWaalsContact O-N 3.14Å; D270-R272 PolarHBondContact O-N 3.27Å; R272-L274 VanDerWaalsContact C-N 3.28Å; R272-L274 HydrophobicContact CB-CD1 3.88Å; R272-L274 HydrophobicContact CB-CG 3.72Å; R272-L274 PolarHBondContact O-N 3.15Å
273G97.9Very high98.3Very high66 Ų6648 Ų4868%0.6826%0.257SS*.THydrogen-bonded Turntrans67.727.8-175.600000113.4A269 D270A269-G273 PolarHBondContact O-N 2.92Å; D270-G273 PolarHBondContact O-N 3.41Å; D270-G273 VanDerWaalsContact O-N 3.07Å
274L97.8Very high98.3Very high24 Ų2448.1 Ų48.113%0.12626%0.257CS..PPolyproline II helixtrans-94.2128.5-179.3-57.2177.5000110.3V11 A45 T46 V47 M264 A269 R272 P276V11-L274 HydrophobicContact CG1-CB 3.73Å; V11-L274 HydrophobicContact CG1-CD1 4.18Å; A45-L274 VanDerWaalsContact O-CD2 3.27Å; A45-L274 WeakPolarHBondContact O-CD2 3.38Å; T46-L274 WeakPolarHBondContact OG1-CD2 3.48Å; V47-L274 HydrophobicContact CG2-CD1 4.36Å; M264-L274 HydrophobicContact CE-CD1 4.06Å; M264-L274 HydrophobicContact SD-CD1 3.97Å; A269-L274 HydrophobicContact CB-CB 4.3Å; A269-L274 PolarHBondContact O-N 3.36Å; R272-L274 VanDerWaalsContact C-N 3.28Å; R272-L274 HydrophobicContact CB-CD1 3.88Å; R272-L274 HydrophobicContact CB-CG 3.72Å; R272-L274 PolarHBondContact O-N 3.15Å; L274-P276 WeakPolarHBondContact O-CD 3.49Å
275T96.8Very high98.3Very high127 Ų12752.8 Ų52.878%0.77928%0.279SS*.PPolyproline II helixtrans-85.5116.3170.1-55.90000109.4
276P97.7Very high98.3Very high30 Ų3050.6 Ų50.620%0.19527%0.271CS..PPolyproline II helixtrans-70.7152.5179.2-17.132.3000113.1V9 I10 V11 A269 L274V9-P276 HydrophobicContact CB-CB 3.75Å; V9-P276 HydrophobicContact CB-CG 3.9Å; V9-P276 HydrophobicContact CG1-CB 4.36Å; V9-P276 HydrophobicContact CG1-CG 4.21Å; V9-P276 HydrophobicContact CG2-CB 3.99Å; V9-P276 HydrophobicContact CG2-CG 3.75Å; I10-P276 CarbonylContact O-C 3.53Å; V11-P276 HydrophobicContact CG1-CB 4.18Å; V11-P276 HydrophobicContact CG1-CG 4.23Å; A269-P276 HydrophobicContact CB-CG 4.15Å; L274-P276 WeakPolarHBondContact O-CD 3.49Å
277L98.2Very high98.3Very high31 Ų3150 Ų5016%0.16229%0.286CS..SBendtrans-71-40.6169.3-63.5176.3000111.2I10 A13 L367 R396I10-L277 PolarHBondContact O-N 3.42Å; A13-L277 HydrophobicContact CB-CD1 3.66Å; L277-L367 HydrophobicContact CB-CD2 4.4Å; L277-R396 WeakPolarHBondContact O-CG 3.47Å
278A98.5Very high98.3Very high3 Ų348.6 Ų48.63%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-164.1158.417600000111.9V9 I10 L367 V394 Q395V9-A278 WeakPolarHBondContact CA-O 3.44Å; I10-A278 PolarHBondContact N-O 3.48Å; I10-A278 PolarHBondContact O-N 3.06Å; A278-L367 HydrophobicContact CB-CD2 3.42Å; A278-L367 VanDerWaalsContact CB-CD2 3.42Å; A278-V394 HydrophobicContact CB-CB 4.03Å; A278-Q395 CarbonylContact C-O 3.51Å; A278-Q395 VanDerWaalsContact CA-O 3.28Å; A278-Q395 WeakPolarHBondContact CA-O 3.37Å; A278-Q395 WeakPolarHBondContact CB-O 3.46Å
279Q98.3Very high98.3Very high46 Ų4652.4 Ų52.422%0.21529%0.293CS..EExtended strand (participates in β ladder)trans-87.5145.716262.8173.510.700111.3P7 V9 V281 V394 Q395P7-Q279 HydrophobicContact CB-CB 4.46Å; P7-Q279 HydrophobicContact CG-CB 4.42Å; V9-Q279 HydrophobicContact CG1-CB 4.12Å; Q279-V281 HydrophobicContact CG-CG2 3.99Å; Q279-V394 CarbonylContact O-C 3.55Å; Q279-V394 VanDerWaalsContact O-CA 3.24Å; Q279-V394 WeakPolarHBondContact O-CA 3.35Å; Q279-Q395 HydrophobicContact CG-CB 3.86Å; Q279-Q395 WeakPolarHBondContact CG-O 3.31Å; Q279-Q395 PolarHBondContact N-O 3.49Å; Q279-Q395 PolarHBondContact O-N 3.46Å
280I98.8Very high98.3Very high11 Ų1153.9 Ų53.96%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-83.9115.3168.2-60.2176.4000107.9V8 I10 V99 A103 L263 W283 M392 V394V8-I280 HydrophobicContact CG1-CD1 4.27Å; V8-I280 PolarHBondContact O-N 2.62Å; I10-I280 HydrophobicContact CD1-CD1 4.18Å; I10-I280 HydrophobicContact CD1-CG1 4Å; I10-I280 HydrophobicContact CG1-CD1 4.16Å; I10-I280 HydrophobicContact CG1-CG1 4.13Å; V99-I280 HydrophobicContact CG1-CD1 3.96Å; A103-I280 HydrophobicContact CB-CD1 4.11Å; L263-I280 HydrophobicContact CD2-CD1 3.52Å; I280-W283 HydrophobicContact CG2-CE3 3.77Å; I280-W283 HydrophobicContact CG2-CZ3 4.02Å; I280-M392 HydrophobicContact CD1-CE 4.36Å; I280-M392 HydrophobicContact CD1-SD 4.09Å; I280-M392 HydrophobicContact CG1-SD 4.13Å; I280-M392 HydrophobicContact CG2-CE 4.42Å; I280-M392 HydrophobicContact CG2-CG 4.19Å; I280-M392 HydrophobicContact CG2-SD 4.13Å; I280-V394 HydrophobicContact CG1-CG1 4.5Å
281V98.6Very high98.4Very high37 Ų3751.3 Ų51.322%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-91-44-175.1-177.10000111.2Q279 A308 W310 C393 Q395Q279-V281 HydrophobicContact CG-CG2 3.99Å; V281-A308 HydrophobicContact CB-CB 4.44Å; V281-A308 HydrophobicContact CG1-CB 3.61Å; V281-W310 HydrophobicContact CB-CH2 4.26Å; V281-W310 HydrophobicContact CB-CZ2 4.07Å; V281-W310 HydrophobicContact CG1-CZ2 3.91Å; V281-W310 HydrophobicContact CG2-CH2 4Å; V281-W310 HydrophobicContact CG2-CZ2 3.77Å; V281-C393 HydrophobicContact CB-CB 4.33Å; V281-C393 PolarHBondContact N-O 2.93Å; V281-Q395 HydrophobicContact CG2-CB 3.61Å
282S98.8Very high98.4Very high8 Ų843.9 Ų43.96%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-161.7166.9178.874.40000111.3A304 C393S282-A304 PolarHBondContact OG-O 3.44Å; S282-C393 PolarHBondContact N-O 2.79Å; S282-C393 PolarHBondContact O-N 2.86Å; S282-C393 WeakPolarHBondContact OG-CB 3.25Å; S282-C393 PolarHBondContact OG-SG 3.12Å
283W98.9Very high98.4Very high69 Ų6940 Ų4026%0.26125%0.245SC..EExtended strand (participates in β ladder)trans-150.2165168.662.493000111.2C100 A103 Q104 I280 K307 A391 M392C100-W283 HydrophobicContact CB-CG 4.27Å; A103-W283 HydrophobicContact CB-CH2 4.11Å; A103-W283 HydrophobicContact CB-CZ3 4.06Å; Q104-W283 HydrophobicContact CG-CZ2 3.74Å; I280-W283 HydrophobicContact CG2-CE3 3.77Å; I280-W283 HydrophobicContact CG2-CZ3 4.02Å; W283-K307 WeakPolarHBondContact O-CD 3.35Å; W283-K307 PolarHBondContact O-NZ 2.97Å; W283-A391 CarbonylContact C-O 3.6Å; W283-A391 WeakPolarHBondContact CA-O 3.44Å; W283-A391 WeakPolarHBondContact CB-O 3.46Å; W283-M392 HydrophobicContact CB-CB 4.48Å
284S98.9Very high98.3Very high1 Ų136.9 Ų36.91%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-144153.8176.568.50000110.9A300 I390 A391S284-A300 VanDerWaalsContact OG-CA 3.3Å; S284-A300 WeakPolarHBondContact OG-CA 3.29Å; S284-A300 PolarHBondContact OG-O 3.33Å; S284-I390 WeakPolarHBondContact O-CA 3.34Å; S284-I390 WeakPolarHBondContact O-CG1 3.03Å; S284-A391 PolarHBondContact N-O 3.09Å; S284-A391 PolarHBondContact O-N 3.28Å; S284-A391 VanDerWaalsContact O-N 3.11Å
285Q98.8Very high98.4Very high99 Ų9936.5 Ų36.546%0.46321%0.21SC..EExtended strand (participates in β ladder)trans-137.2136.6167.556.4178.372.700107.3M90 G389M90-Q285 HydrophobicContact CE-CB 4.31Å; Q285-G389 CarbonylContact C-O 3.57Å; Q285-G389 WeakPolarHBondContact CA-O 3.46Å
286V98.8Very high98.5Very high18 Ų1830.5 Ų30.511%0.10917%0.173CC..EExtended strand (participates in β ladder)trans-141.1156.5-171.6-58.10000110.6G296 P299 A300 M388 G389V286-G296 WeakPolarHBondContact CG2-O 3.41Å; V286-P299 HydrophobicContact CG1-CB 4.44Å; V286-P299 HydrophobicContact CG2-CB 4.16Å; V286-P299 HydrophobicContact CG2-CG 3.82Å; V286-A300 HydrophobicContact CG2-CB 3.89Å; V286-M388 CarbonylContact O-C 3.49Å; V286-M388 WeakPolarHBondContact O-CA 3.39Å; V286-M388 VanDerWaalsContact O-CB 3.31Å; V286-M388 WeakPolarHBondContact O-CB 3.49Å; V286-G389 PolarHBondContact N-O 3.36Å; V286-G389 PolarHBondContact O-N 3.48Å
287G98.8Very high98.5Very high61 Ų6129.1 Ų29.163%0.62916%0.164SC*.EExtended strand (participates in β ladder)trans-105.4149.2168.600000111.4G387G287-G387 CarbonylContact C-O 3.45Å; G287-G387 WeakPolarHBondContact CA-O 3.37Å
288V98.7Very high98.6Very high26 Ų2628.2 Ų28.216%0.15816%0.16CC..  trans-142.8172.7172.5-63.70000108.6I295 P299 G387V288-I295 HydrophobicContact CB-CD1 4.17Å; V288-I295 HydrophobicContact CG1-CD1 3.89Å; V288-P299 HydrophobicContact CG1-CG 3.84Å; V288-G387 PolarHBondContact N-O 3.21Å; V288-G387 CarbonylContact O-C 3.55Å; V288-G387 WeakPolarHBondContact O-CA 3.4Å
289E98.4Very high98.6Very high106 Ų10629.7 Ų29.750%0.49517%0.169SC..  trans-61.9134.1176.1-58.297.8110.700111.7S291 I292 M293E289-S291 PolarHBondContact O-N 2.83Å; E289-S291 VanDerWaalsContact O-N 3.16Å; E289-I292 HydrophobicContact CB-CD1 4.44Å; E289-I292 HydrophobicContact CB-CG1 3.99Å; E289-I292 CarbonylContact O-C 3.48Å; E289-I292 PolarHBondContact O-N 3.05Å; E289-I292 VanDerWaalsContact O-N 3.1Å; E289-M293 PolarHBondContact O-N 3.22Å
290P98.4Very high98.6Very high30 Ų3027.5 Ų27.520%0.19516%0.159CC..G310 helixtrans-58.4-31.6-178.5-22.229.1000113.7D153 F155 I292 M293 G386D153-P290 WeakPolarHBondContact OD1-CB 3.28Å; F155-P290 HydrophobicContact CD2-CB 3.63Å; F155-P290 HydrophobicContact CD2-CG 3.44Å; F155-P290 VanDerWaalsContact CD2-CG 3.44Å; F155-P290 HydrophobicContact CE2-CB 4.25Å; F155-P290 HydrophobicContact CE2-CG 3.82Å; F155-P290 HydrophobicContact CG-CB 4.47Å; F155-P290 HydrophobicContact CG-CG 4.12Å; P290-I292 PolarHBondContact O-N 3.46Å; P290-M293 WeakPolarHBondContact O-CB 3.3Å; P290-M293 PolarHBondContact O-N 2.95Å; P290-G386 WeakPolarHBondContact CG-O 3.5Å
291S98.4Very high98.6Very high33 Ų3327 Ų2723%0.23116%0.156CC..G310 helixtrans-66.2-17.9-179.562.10000114.7Y158 T163 N166 E289Y158-S291 VanDerWaalsContact OH-CA 3.24Å; Y158-S291 WeakPolarHBondContact OH-CA 3.32Å; Y158-S291 VanDerWaalsContact OH-CB 3.28Å; Y158-S291 WeakPolarHBondContact OH-CB 3.28Å; T163-S291 WeakPolarHBondContact CA-O 3.44Å; N166-S291 WeakPolarHBondContact CB-O 3.39Å; N166-S291 PolarHBondContact ND2-O 3.39Å; E289-S291 PolarHBondContact O-N 2.83Å; E289-S291 VanDerWaalsContact O-N 3.16Å
292I98.4Very high98.6Very high10 Ų1029.6 Ų29.65%0.05117%0.165CC..G310 helixtrans-129.430.2177.355.1172.3000110.9N166 V167 E289 P290 G294 I295N166-I292 HydrophobicContact CB-CG2 4.24Å; V167-I292 HydrophobicContact CG2-CB 3.88Å; V167-I292 HydrophobicContact CG2-CG2 3.99Å; E289-I292 HydrophobicContact CB-CD1 4.44Å; E289-I292 HydrophobicContact CB-CG1 3.99Å; E289-I292 CarbonylContact O-C 3.48Å; E289-I292 PolarHBondContact O-N 3.05Å; E289-I292 VanDerWaalsContact O-N 3.1Å; P290-I292 PolarHBondContact O-N 3.46Å; I292-G294 PolarHBondContact O-N 3.14Å; I292-I295 HydrophobicContact CB-CG1 4.23Å; I292-I295 HydrophobicContact CD1-CD1 4.17Å; I292-I295 HydrophobicContact CD1-CG1 4.08Å; I292-I295 HydrophobicContact CG1-CG1 4.12Å; I292-I295 WeakPolarHBondContact O-CG1 3.17Å; I292-I295 PolarHBondContact O-N 2.75Å
293M98.3Very high98.6Very high4 Ų433.5 Ų33.52%0.0218%0.182CC..G310 helixtrans-46.3-31.5-175.371.883.8-174.100114.3M160 T163 E289 P290 I295 G296 L327 C383 I384M160-M293 HydrophobicContact CB-CE 4.17Å; M160-M293 HydrophobicContact CG-CE 4.28Å; M160-M293 HydrophobicContact SD-CE 3.8Å; M160-M293 HydrophobicContact SD-CG 4.29Å; T163-M293 HydrophobicContact CG2-CG 4.26Å; T163-M293 WeakPolarHBondContact OG1-CE 3.25Å; E289-M293 PolarHBondContact O-N 3.22Å; P290-M293 WeakPolarHBondContact O-CB 3.3Å; P290-M293 PolarHBondContact O-N 2.95Å; M293-I295 PolarHBondContact O-N 3.33Å; M293-I295 VanDerWaalsContact O-N 3.09Å; M293-G296 PolarHBondContact O-N 3.25Å; M293-L327 HydrophobicContact CE-CD1 4.39Å; M293-C383 HydrophobicContact SD-CB 3.98Å; M293-I384 WeakPolarHBondContact CB-O 3.3Å
294G97.2Very high98.6Very high0 Ų030.2 Ų30.20%017%0.169CC..G310 helixtrans-59.4-19.3-179.900000115.7I292 P297 L327I292-G294 PolarHBondContact O-N 3.14Å; G294-P297 WeakPolarHBondContact O-CD 3.47Å; G294-L327 VanDerWaalsContact CA-CD1 3.49Å
295I98.6Very high98.6Very high17 Ų1730.3 Ų30.39%0.08717%0.17CC..G310 helixtrans-87.5-3.7175.464.6110.7000113.9V167 W171 V288 I292 M293 P297 I298 P299V167-I295 HydrophobicContact CG1-CG2 3.98Å; V167-I295 HydrophobicContact CG2-CG2 3.95Å; W171-I295 HydrophobicContact CE3-CG2 4.17Å; W171-I295 HydrophobicContact CH2-CB 4.37Å; W171-I295 HydrophobicContact CH2-CD1 4.47Å; W171-I295 HydrophobicContact CH2-CG1 4.38Å; W171-I295 HydrophobicContact CH2-CG2 3.75Å; W171-I295 HydrophobicContact CZ2-CG2 4.16Å; W171-I295 HydrophobicContact CZ3-CG2 3.74Å; V288-I295 HydrophobicContact CB-CD1 4.17Å; V288-I295 HydrophobicContact CG1-CD1 3.89Å; I292-I295 HydrophobicContact CB-CG1 4.23Å; I292-I295 HydrophobicContact CD1-CD1 4.17Å; I292-I295 HydrophobicContact CD1-CG1 4.08Å; I292-I295 HydrophobicContact CG1-CG1 4.12Å; I292-I295 WeakPolarHBondContact O-CG1 3.17Å; I292-I295 PolarHBondContact O-N 2.75Å; M293-I295 PolarHBondContact O-N 3.33Å; M293-I295 VanDerWaalsContact O-N 3.09Å; I295-P297 VanDerWaalsContact O-N 3.09Å; I295-I298 HydrophobicContact CB-CD1 3.9Å; I295-I298 HydrophobicContact CG2-CD1 4.19Å; I295-I298 WeakPolarHBondContact O-CB 3.34Å; I295-I298 PolarHBondContact O-N 3.08Å; I295-P299 VanDerWaalsContact O-CD 3.32Å; I295-P299 WeakPolarHBondContact O-CD 3.36Å
296G98.8Very high98.6Very high0 Ų030.7 Ų30.70%018%0.179CC..THydrogen-bonded Turntrans-46.9-35.6176.900000115.5V286 M293 I298 P299 A300V286-G296 WeakPolarHBondContact CG2-O 3.41Å; M293-G296 PolarHBondContact O-N 3.25Å; G296-I298 VanDerWaalsContact C-N 3.27Å; G296-I298 PolarHBondContact O-N 3.09Å; G296-P299 VanDerWaalsContact O-CD 3.28Å; G296-P299 WeakPolarHBondContact O-CD 3.49Å; G296-P299 WeakPolarHBondContact O-CG 3.26Å; G296-A300 WeakPolarHBondContact O-CB 3.39Å; G296-A300 PolarHBondContact O-N 3.12Å
297P98.8Very high98.6Very high1 Ų136 Ų361%0.00620%0.201CC..Hα-helixtrans-58.7-30.8173.8-30.339.1000114.8G294 I295 A300 I301 I320 I331 A381 C383G294-P297 WeakPolarHBondContact O-CD 3.47Å; I295-P297 VanDerWaalsContact O-N 3.09Å; P297-A300 PolarHBondContact O-N 2.94Å; P297-I301 HydrophobicContact CB-CD1 4.08Å; P297-I301 VanDerWaalsContact O-CB 3.25Å; P297-I301 WeakPolarHBondContact O-CB 3.31Å; P297-I301 WeakPolarHBondContact O-CD1 3.33Å; P297-I301 WeakPolarHBondContact O-CG1 3.25Å; P297-I301 PolarHBondContact O-N 3.32Å; P297-I320 HydrophobicContact CB-CG2 4.38Å; P297-I331 HydrophobicContact CB-CD1 3.85Å; P297-I331 HydrophobicContact CB-CG1 4.35Å; P297-I331 HydrophobicContact CB-CG2 4.38Å; P297-I331 HydrophobicContact CG-CD1 3.72Å; P297-A381 HydrophobicContact CB-CB 4.33Å; P297-C383 HydrophobicContact CG-CB 4.04Å
298I98.9Very high98.6Very high13 Ų1334 Ų347%0.06718%0.178CC..Hα-helixtrans-58.5-59.6-178.4-68.5158.5000110.9I295 G296 A300 K302 I331 E334 L335I295-I298 HydrophobicContact CB-CD1 3.9Å; I295-I298 HydrophobicContact CG2-CD1 4.19Å; I295-I298 WeakPolarHBondContact O-CB 3.34Å; I295-I298 PolarHBondContact O-N 3.08Å; G296-I298 VanDerWaalsContact C-N 3.27Å; G296-I298 PolarHBondContact O-N 3.09Å; I298-A300 VanDerWaalsContact C-N 3.34Å; I298-A300 PolarHBondContact O-N 3.11Å; I298-K302 HydrophobicContact CG2-CD 4.4Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 2.98Å; I298-I331 HydrophobicContact CD1-CG1 4.24Å; I298-I331 HydrophobicContact CG1-CB 4.28Å; I298-I331 HydrophobicContact CG1-CG1 4.06Å; I298-I331 HydrophobicContact CG1-CG2 4.13Å; I298-E334 HydrophobicContact CD1-CB 3.74Å; I298-E334 HydrophobicContact CD1-CG 3.73Å; I298-E334 HydrophobicContact CG1-CB 4.25Å; I298-E334 HydrophobicContact CG1-CG 4.24Å; I298-E334 HydrophobicContact CG2-CG 3.95Å; I298-L335 HydrophobicContact CB-CD2 4.46Å; I298-L335 HydrophobicContact CG1-CG 4.24Å; I298-L335 HydrophobicContact CG2-CD2 3.91Å; I298-L335 HydrophobicContact CG2-CG 4.46Å
299P98.8Very high98.6Very high34 Ų3436 Ų3622%0.22120%0.204CC..Hα-helixtrans-66.6-33.5175.720.9-28.4000112.9V286 V288 I295 G296 Q303V286-P299 HydrophobicContact CG1-CB 4.44Å; V286-P299 HydrophobicContact CG2-CB 4.16Å; V286-P299 HydrophobicContact CG2-CG 3.82Å; V288-P299 HydrophobicContact CG1-CG 3.84Å; I295-P299 VanDerWaalsContact O-CD 3.32Å; I295-P299 WeakPolarHBondContact O-CD 3.36Å; G296-P299 VanDerWaalsContact O-CD 3.28Å; G296-P299 WeakPolarHBondContact O-CD 3.49Å; G296-P299 WeakPolarHBondContact O-CG 3.26Å; P299-Q303 WeakPolarHBondContact O-CB 3.49Å; P299-Q303 VanDerWaalsContact O-CG 3.3Å; P299-Q303 WeakPolarHBondContact O-CG 3.4Å; P299-Q303 PolarHBondContact O-N 3.38Å
300A98.9Very high98.6Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-63.2-51.4179.400000111.5S284 V286 G296 P297 I298 K302 Q303 A304 A391S284-A300 VanDerWaalsContact OG-CA 3.3Å; S284-A300 WeakPolarHBondContact OG-CA 3.29Å; S284-A300 PolarHBondContact OG-O 3.33Å; V286-A300 HydrophobicContact CG2-CB 3.89Å; G296-A300 WeakPolarHBondContact O-CB 3.39Å; G296-A300 PolarHBondContact O-N 3.12Å; P297-A300 PolarHBondContact O-N 2.94Å; I298-A300 VanDerWaalsContact C-N 3.34Å; I298-A300 PolarHBondContact O-N 3.11Å; A300-K302 PolarHBondContact O-N 3.23Å; A300-Q303 PolarHBondContact O-N 3.41Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.29Å; A300-A391 HydrophobicContact CB-CB 3.86Å
301I98.9Very high98.6Very high0 Ų033.3 Ų33.30%019%0.194CC..Hα-helixtrans-59.3-50.6178.3-68.6165.8000109.9P297 Q303 A304 V305 L312 F318 I320 L335 V379 A381 A391P297-I301 HydrophobicContact CB-CD1 4.08Å; P297-I301 VanDerWaalsContact O-CB 3.25Å; P297-I301 WeakPolarHBondContact O-CB 3.31Å; P297-I301 WeakPolarHBondContact O-CD1 3.33Å; P297-I301 WeakPolarHBondContact O-CG1 3.25Å; P297-I301 PolarHBondContact O-N 3.32Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 2.98Å; I301-A304 PolarHBondContact O-N 2.92Å; I301-V305 HydrophobicContact CG2-CG2 4.06Å; I301-V305 VanDerWaalsContact O-CB 3.3Å; I301-V305 WeakPolarHBondContact O-CB 3.35Å; I301-V305 VanDerWaalsContact O-CG2 3.3Å; I301-V305 WeakPolarHBondContact O-CG2 3.44Å; I301-V305 PolarHBondContact O-N 3.1Å; I301-L312 HydrophobicContact CG2-CD2 3.75Å; I301-F318 HydrophobicContact CG2-CE1 4.27Å; I301-I320 HydrophobicContact CD1-CD1 3.7Å; I301-I320 HydrophobicContact CD1-CG1 4.13Å; I301-L335 HydrophobicContact CB-CD1 4.17Å; I301-L335 HydrophobicContact CD1-CD1 3.72Å; I301-L335 HydrophobicContact CG2-CD1 4.1Å; I301-V379 HydrophobicContact CG1-CG1 4.07Å; I301-V379 HydrophobicContact CG2-CG1 4.37Å; I301-A381 HydrophobicContact CD1-CB 3.75Å; I301-A381 HydrophobicContact CG1-CB 3.57Å; I301-A391 HydrophobicContact CG1-CB 4.14Å
302K98.8Very high98.6Very high92 Ų9233.7 Ų33.740%0.419%0.193SC..Hα-helixtrans-52.6-50.3177.9-75.1177.5179.2176.20111.2I298 A300 T306 L335I298-K302 HydrophobicContact CG2-CD 4.4Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 2.98Å; A300-K302 PolarHBondContact O-N 3.23Å; K302-T306 WeakPolarHBondContact O-CB 3.37Å; K302-T306 PolarHBondContact O-N 3.28Å; K302-T306 PolarHBondContact O-OG1 3.46Å; K302-L335 HydrophobicContact CD-CD2 4.17Å; K302-L335 HydrophobicContact CG-CD2 3.89Å
303Q98.9Very high98.6Very high89 Ų8939.7 Ų39.742%0.41622%0.22SC..Hα-helixtrans-66.2-41.6-179.6-72.2-176.627.100113.4P299 A300 I301 K307P299-Q303 WeakPolarHBondContact O-CB 3.49Å; P299-Q303 VanDerWaalsContact O-CG 3.3Å; P299-Q303 WeakPolarHBondContact O-CG 3.4Å; P299-Q303 PolarHBondContact O-N 3.38Å; A300-Q303 PolarHBondContact O-N 3.41Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 2.98Å; Q303-K307 WeakPolarHBondContact O-CB 3.29Å; Q303-K307 VanDerWaalsContact O-CG 3.27Å; Q303-K307 WeakPolarHBondContact O-CG 3.35Å; Q303-K307 PolarHBondContact O-N 2.61Å
304A98.8Very high98.5Very high0 Ų042.4 Ų42.40%024%0.235CC..Hα-helixtrans-65.7-47.1179.400000110.9S282 A300 I301 T306 K307 A308 A391 C393S282-A304 PolarHBondContact OG-O 3.44Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.29Å; I301-A304 PolarHBondContact O-N 2.92Å; A304-T306 PolarHBondContact O-N 3.4Å; A304-K307 WeakPolarHBondContact O-CB 3.19Å; A304-K307 PolarHBondContact O-N 2.96Å; A304-K307 VanDerWaalsContact O-N 3.15Å; A304-A308 PolarHBondContact O-N 2.63Å; A304-A391 HydrophobicContact CB-CB 4.02Å; A304-C393 VanDerWaalsContact C-SG 3.59Å
305V98.8Very high98.6Very high4 Ų442.4 Ų42.42%0.02424%0.235CC..Hα-helixtrans-60.9-44.7177.6167.60000111I301 K307 A308 G309 W310 L312 V315 V379I301-V305 HydrophobicContact CG2-CG2 4.06Å; I301-V305 VanDerWaalsContact O-CB 3.3Å; I301-V305 WeakPolarHBondContact O-CB 3.35Å; I301-V305 VanDerWaalsContact O-CG2 3.3Å; I301-V305 WeakPolarHBondContact O-CG2 3.44Å; I301-V305 PolarHBondContact O-N 3.1Å; V305-K307 PolarHBondContact O-N 2.78Å; V305-A308 WeakPolarHBondContact O-CB 3.33Å; V305-A308 PolarHBondContact O-N 3.1Å; V305-G309 PolarHBondContact O-N 3.2Å; V305-W310 HydrophobicContact CG1-CB 3.94Å; V305-W310 VanDerWaalsContact CG1-O 3.26Å; V305-W310 WeakPolarHBondContact CG1-O 3.4Å; V305-W310 PolarHBondContact O-N 2.88Å; V305-L312 HydrophobicContact CB-CD2 4.49Å; V305-L312 HydrophobicContact CG1-CD2 4.26Å; V305-L312 HydrophobicContact CG2-CD2 4.14Å; V305-V315 HydrophobicContact CG2-CG2 4.35Å; V305-V379 HydrophobicContact CG2-CG2 4.05Å
306T98.7Very high98.6Very high107 Ų10744.3 Ų44.366%0.65625%0.245SC*.Hα-helixtrans-61.4-43173.4-61.30000112.3K302 A304 A308 G309K302-T306 WeakPolarHBondContact O-CB 3.37Å; K302-T306 PolarHBondContact O-N 3.28Å; K302-T306 PolarHBondContact O-OG1 3.46Å; A304-T306 PolarHBondContact O-N 3.4Å; T306-A308 VanDerWaalsContact C-N 3.25Å; T306-A308 PolarHBondContact O-N 3.04Å; T306-G309 PolarHBondContact O-N 2.83Å
307K98.6Very high98.6Very high128 Ų12844.6 Ų44.656%0.55725%0.247SC*.Hα-helixtrans-62.9-31.9175.9-76.8177-173-179.40112.9W283 Q303 A304 V305 G309W283-K307 WeakPolarHBondContact O-CD 3.35Å; W283-K307 PolarHBondContact O-NZ 2.97Å; Q303-K307 WeakPolarHBondContact O-CB 3.29Å; Q303-K307 VanDerWaalsContact O-CG 3.27Å; Q303-K307 WeakPolarHBondContact O-CG 3.35Å; Q303-K307 PolarHBondContact O-N 2.61Å; A304-K307 WeakPolarHBondContact O-CB 3.19Å; A304-K307 PolarHBondContact O-N 2.96Å; A304-K307 VanDerWaalsContact O-N 3.15Å; V305-K307 PolarHBondContact O-N 2.78Å; K307-G309 PolarHBondContact O-N 2.96Å
308A98.3Very high98.6Very high19 Ų1944.6 Ų44.616%0.15725%0.247CC..THydrogen-bonded Turntrans-74.4-10.7174.900000113V281 A304 V305 T306 W310 C393V281-A308 HydrophobicContact CB-CB 4.44Å; V281-A308 HydrophobicContact CG1-CB 3.61Å; A304-A308 PolarHBondContact O-N 2.63Å; V305-A308 WeakPolarHBondContact O-CB 3.33Å; V305-A308 PolarHBondContact O-N 3.1Å; T306-A308 VanDerWaalsContact C-N 3.25Å; T306-A308 PolarHBondContact O-N 3.04Å; A308-W310 VanDerWaalsContact C-N 3.31Å; A308-W310 HydrophobicContact CB-CB 4.42Å; A308-W310 HydrophobicContact CB-CD2 3.63Å; A308-W310 HydrophobicContact CB-CE3 4.07Å; A308-W310 HydrophobicContact CB-CG 3.8Å; A308-W310 HydrophobicContact CB-CZ2 4.4Å; A308-W310 VanDerWaalsContact O-CD1 3.22Å; A308-W310 PolarHBondContact O-NE1 3.38Å; A308-C393 HydrophobicContact CB-CB 4.22Å
309G98.2Very high98.6Very high68 Ų6844 Ų4470%0.70124%0.244SC*.THydrogen-bonded Turntrans70.727.9-172.800000112.8V305 T306 K307V305-G309 PolarHBondContact O-N 3.2Å; T306-G309 PolarHBondContact O-N 2.83Å; K307-G309 PolarHBondContact O-N 2.96Å
310W98.6Very high98.6Very high29 Ų2942.5 Ų42.511%0.1123%0.234CC..  trans-106.8162.9-178.5-60.7-8.5000111.3V281 V305 A308 D314 V315 R377 C393 V394 Q395V281-W310 HydrophobicContact CB-CH2 4.26Å; V281-W310 HydrophobicContact CB-CZ2 4.07Å; V281-W310 HydrophobicContact CG1-CZ2 3.91Å; V281-W310 HydrophobicContact CG2-CH2 4Å; V281-W310 HydrophobicContact CG2-CZ2 3.77Å; V305-W310 HydrophobicContact CG1-CB 3.94Å; V305-W310 VanDerWaalsContact CG1-O 3.26Å; V305-W310 WeakPolarHBondContact CG1-O 3.4Å; V305-W310 PolarHBondContact O-N 2.88Å; A308-W310 VanDerWaalsContact C-N 3.31Å; A308-W310 HydrophobicContact CB-CB 4.42Å; A308-W310 HydrophobicContact CB-CD2 3.63Å; A308-W310 HydrophobicContact CB-CE3 4.07Å; A308-W310 HydrophobicContact CB-CG 3.8Å; A308-W310 HydrophobicContact CB-CZ2 4.4Å; A308-W310 VanDerWaalsContact O-CD1 3.22Å; A308-W310 PolarHBondContact O-NE1 3.38Å; W310-D314 HydrophobicContact CB-CB 4.26Å; W310-V315 HydrophobicContact CE3-CG2 4.23Å; W310-R377 HydrophobicContact CE3-CB 4.26Å; W310-R377 HydrophobicContact CE3-CG 4.46Å; W310-R377 HydrophobicContact CH2-CB 3.81Å; W310-R377 HydrophobicContact CH2-CG 3.75Å; W310-R377 HydrophobicContact CZ2-CB 4.36Å; W310-R377 HydrophobicContact CZ2-CG 3.79Å; W310-R377 HydrophobicContact CZ3-CB 3.76Å; W310-R377 HydrophobicContact CZ3-CG 4.09Å; W310-C393 HydrophobicContact CE3-CB 4.25Å; W310-C393 HydrophobicContact CH2-CB 4.06Å; W310-C393 HydrophobicContact CZ3-CB 3.67Å; W310-V394 WeakPolarHBondContact CH2-O 3.44Å; W310-Q395 HydrophobicContact CH2-CB 4.15Å; W310-Q395 HydrophobicContact CZ2-CB 4.09Å
311S98.4Very high98.6Very high52 Ų5242.9 Ų42.936%0.36424%0.236SC..  trans-96.2167.2158.771.10000110.7E313 D314S311-E313 PolarHBondContact O-N 2.84Å; S311-D314 WeakPolarHBondContact CB-OD2 3.2Å; S311-D314 PolarHBondContact N-OD2 2.97Å; S311-D314 WeakPolarHBondContact O-CB 3.1Å; S311-D314 PolarHBondContact O-N 2.82Å; S311-D314 VanDerWaalsContact OG-CG 3.24Å; S311-D314 PolarHBondContact OG-N 3.47Å; S311-D314 PolarHBondContact OG-OD2 3.16Å
312L98.4Very high98.6Very high40 Ų4043.2 Ų43.221%0.20924%0.238CC..SBendtrans-64.7-30.1173.9-66.3176.1000112.1I301 V305 D314 V315 L335 L337I301-L312 HydrophobicContact CG2-CD2 3.75Å; V305-L312 HydrophobicContact CB-CD2 4.49Å; V305-L312 HydrophobicContact CG1-CD2 4.26Å; V305-L312 HydrophobicContact CG2-CD2 4.14Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.34Å; L312-V315 PolarHBondContact O-N 2.76Å; L312-L335 HydrophobicContact CD1-CB 4.27Å; L312-L335 HydrophobicContact CD1-CD2 4.29Å; L312-L335 WeakPolarHBondContact CD1-O 3.2Å; L312-L337 HydrophobicContact CB-CD2 4.37Å; L312-L337 HydrophobicContact CD1-CD2 4.27Å; L312-L337 HydrophobicContact CD2-CD2 4.42Å
313E98.2Very high98.5Very high136 Ų13639 Ų3964%0.63622%0.22SC*.THydrogen-bonded Turntrans-69.3-28.8178.8-61.5-54.3142.800112.8S311 V315 K341S311-E313 PolarHBondContact O-N 2.84Å; E313-V315 PolarHBondContact O-N 2.87Å; E313-K341 PolarHBondContact O-NZ 2.96Å; E313-K341 VanDerWaalsContact O-NZ 3.16Å
314D98.1Very high98.5Very high62 Ų6235.5 Ų35.533%0.33220%0.204SC..THydrogen-bonded Turntrans-67.2-17.8177.1-70.7-56.9000113.2W310 S311 L312 R377W310-D314 HydrophobicContact CB-CB 4.26Å; S311-D314 WeakPolarHBondContact CB-OD2 3.2Å; S311-D314 PolarHBondContact N-OD2 2.97Å; S311-D314 WeakPolarHBondContact O-CB 3.1Å; S311-D314 PolarHBondContact O-N 2.82Å; S311-D314 VanDerWaalsContact OG-CG 3.24Å; S311-D314 PolarHBondContact OG-N 3.47Å; S311-D314 PolarHBondContact OG-OD2 3.16Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.34Å; D314-R377 WeakPolarHBondContact O-CD 3.3Å; D314-R377 IonicContact OD1-NH1 3.83Å
315V98.8Very high98.5Very high0 Ų035.5 Ų35.50%020%0.204CC..  trans-82127.6-178.9-177.50000109.2V305 W310 L312 E313 V317 F318 K341 V379V305-V315 HydrophobicContact CG2-CG2 4.35Å; W310-V315 HydrophobicContact CE3-CG2 4.23Å; L312-V315 PolarHBondContact O-N 2.76Å; E313-V315 PolarHBondContact O-N 2.87Å; V315-V317 WeakPolarHBondContact CG1-O 3.15Å; V315-F318 HydrophobicContact CB-CD2 4.35Å; V315-F318 HydrophobicContact CB-CE1 3.99Å; V315-F318 HydrophobicContact CB-CE2 3.52Å; V315-F318 HydrophobicContact CB-CZ 3.32Å; V315-F318 HydrophobicContact CG1-CD1 4.03Å; V315-F318 HydrophobicContact CG1-CD2 3.76Å; V315-F318 HydrophobicContact CG1-CE1 3.72Å; V315-F318 HydrophobicContact CG1-CE2 3.44Å; V315-F318 VanDerWaalsContact CG1-CE2 3.44Å; V315-F318 HydrophobicContact CG1-CG 4.05Å; V315-F318 HydrophobicContact CG1-CZ 3.43Å; V315-F318 VanDerWaalsContact CG1-CZ 3.43Å; V315-F318 HydrophobicContact CG2-CE1 4.1Å; V315-F318 HydrophobicContact CG2-CE2 4.43Å; V315-F318 HydrophobicContact CG2-CZ 3.74Å; V315-K341 WeakPolarHBondContact O-CD 3.33Å; V315-K341 WeakPolarHBondContact O-CE 3.46Å; V315-K341 PolarHBondContact O-NZ 3.28Å; V315-V379 HydrophobicContact CB-CG2 4.45Å; V315-V379 HydrophobicContact CG1-CB 4.2Å; V315-V379 HydrophobicContact CG1-CG2 3.78Å; V315-V379 HydrophobicContact CG2-CG2 3.77Å
316D98.7Very high98.5Very high56 Ų5635.3 Ų35.330%0.29920%0.202SC..SBendtrans-84.9-40.8-178.7-60.5-51.3000111.6K341 I376 R377D316-K341 WeakPolarHBondContact O-CB 3.44Å; D316-K341 WeakPolarHBondContact O-CG 3.33Å; D316-I376 WeakPolarHBondContact OD2-CA 3.37Å; D316-I376 PolarHBondContact OD2-N 3.43Å; D316-R377 WeakPolarHBondContact CB-O 3.39Å; D316-R377 PolarHBondContact N-O 3.35Å; D316-R377 PolarHBondContact OD2-N 3.2Å
317V98.8Very high98.5Very high6 Ų630.2 Ų30.24%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-137.5133.8-177.1-174.80000110.8V315 K341 L366 T369 L370 R377 G378 V379V315-V317 WeakPolarHBondContact CG1-O 3.15Å; V317-K341 CarbonylContact C-O 3.51Å; V317-K341 WeakPolarHBondContact CA-O 3.45Å; V317-L366 HydrophobicContact CB-CD1 3.83Å; V317-L366 HydrophobicContact CG1-CD1 3.64Å; V317-T369 HydrophobicContact CG1-CG2 4Å; V317-T369 HydrophobicContact CG2-CG2 4.3Å; V317-L370 HydrophobicContact CB-CD2 4.04Å; V317-L370 HydrophobicContact CG2-CD2 3.9Å; V317-R377 PolarHBondContact N-O 3.45Å; V317-G378 CarbonylContact O-C 3.33Å; V317-G378 VanDerWaalsContact O-CA 3.25Å; V317-G378 WeakPolarHBondContact O-CA 3.43Å; V317-V379 PolarHBondContact O-N 3.42Å
318F98.9Very high98.5Very high2 Ų224.6 Ų24.61%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-114.1130.1171.2-64.9-96.7000109.4I301 V315 I320 L337 K341 V342 N343 V379I301-F318 HydrophobicContact CG2-CE1 4.27Å; V315-F318 HydrophobicContact CB-CD2 4.35Å; V315-F318 HydrophobicContact CB-CE1 3.99Å; V315-F318 HydrophobicContact CB-CE2 3.52Å; V315-F318 HydrophobicContact CB-CZ 3.32Å; V315-F318 HydrophobicContact CG1-CD1 4.03Å; V315-F318 HydrophobicContact CG1-CD2 3.76Å; V315-F318 HydrophobicContact CG1-CE1 3.72Å; V315-F318 HydrophobicContact CG1-CE2 3.44Å; V315-F318 VanDerWaalsContact CG1-CE2 3.44Å; V315-F318 HydrophobicContact CG1-CG 4.05Å; V315-F318 HydrophobicContact CG1-CZ 3.43Å; V315-F318 VanDerWaalsContact CG1-CZ 3.43Å; V315-F318 HydrophobicContact CG2-CE1 4.1Å; V315-F318 HydrophobicContact CG2-CE2 4.43Å; V315-F318 HydrophobicContact CG2-CZ 3.74Å; F318-I320 HydrophobicContact CB-CD1 4.27Å; F318-I320 HydrophobicContact CB-CG1 4.15Å; F318-I320 HydrophobicContact CD1-CD1 4.46Å; F318-L337 HydrophobicContact CD1-CD1 4.26Å; F318-L337 HydrophobicContact CE1-CD1 4.36Å; F318-L337 HydrophobicContact CE1-CD2 4.13Å; F318-L337 HydrophobicContact CE2-CD2 4.08Å; F318-L337 HydrophobicContact CG-CD1 4.38Å; F318-L337 HydrophobicContact CZ-CD2 3.72Å; F318-K341 HydrophobicContact CD2-CB 4.19Å; F318-K341 PolarHBondContact N-O 2.92Å; F318-V342 HydrophobicContact CB-CB 4.39Å; F318-V342 HydrophobicContact CB-CG1 4.39Å; F318-V342 HydrophobicContact CB-CG2 4.02Å; F318-V342 HydrophobicContact CD2-CG2 4.29Å; F318-V342 HydrophobicContact CG-CG2 4.38Å; F318-V342 CarbonylContact O-C 3.57Å; F318-V342 WeakPolarHBondContact O-CA 3.47Å; F318-N343 PolarHBondContact O-N 3.3Å; F318-V379 CarbonylContact C-O 3.57Å; F318-V379 WeakPolarHBondContact CA-O 3.12Å; F318-V379 HydrophobicContact CD1-CB 3.69Å; F318-V379 HydrophobicContact CD1-CG1 4.11Å; F318-V379 HydrophobicContact CD1-CG2 4.32Å; F318-V379 HydrophobicContact CE1-CB 3.99Å; F318-V379 HydrophobicContact CE1-CG1 4.4Å; F318-V379 HydrophobicContact CE1-CG2 4.12Å
319E98.9Very high98.5Very high1 Ų125 Ų251%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-107.7104.8162.4-84.1-67.5141.100107.7N343 I362 L366 V379 A380 A381E319-N343 WeakPolarHBondContact CA-OD1 3.41Å; E319-I362 HydrophobicContact CB-CB 4.09Å; E319-I362 HydrophobicContact CB-CD1 4.41Å; E319-I362 WeakPolarHBondContact O-CD1 3.35Å; E319-L366 HydrophobicContact CB-CB 4.21Å; E319-L366 HydrophobicContact CG-CB 3.82Å; E319-L366 HydrophobicContact CG-CD1 4.25Å; E319-V379 PolarHBondContact N-O 3.44Å; E319-A380 CarbonylContact O-C 3.53Å; E319-A380 VanDerWaalsContact O-CA 3.29Å; E319-A380 WeakPolarHBondContact O-CA 3.47Å; E319-A381 PolarHBondContact O-N 2.98Å
320I98.9Very high98.5Very high2 Ų221.8 Ų21.81%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-116113.1179.3-54.8176.8000107.4P297 I301 F318 E322 I331 L337 V342 N343 A381P297-I320 HydrophobicContact CB-CG2 4.38Å; I301-I320 HydrophobicContact CD1-CD1 3.7Å; I301-I320 HydrophobicContact CD1-CG1 4.13Å; F318-I320 HydrophobicContact CB-CD1 4.27Å; F318-I320 HydrophobicContact CB-CG1 4.15Å; F318-I320 HydrophobicContact CD1-CD1 4.46Å; I320-E322 PolarHBondContact O-N 2.96Å; I320-I331 HydrophobicContact CD1-CG2 4.03Å; I320-I331 HydrophobicContact CG2-CD1 4Å; I320-I331 HydrophobicContact CG2-CG2 4.39Å; I320-L337 HydrophobicContact CD1-CD1 3.65Å; I320-V342 HydrophobicContact CB-CG1 4.42Å; I320-V342 HydrophobicContact CD1-CG1 4.17Å; I320-V342 HydrophobicContact CG1-CG1 4.33Å; I320-N343 PolarHBondContact N-OD1 2.91Å; I320-N343 PolarHBondContact O-ND2 2.9Å; I320-N343 PolarHBondContact O-OD1 3.33Å; I320-A381 WeakPolarHBondContact CA-O 3.32Å
321N98.7Very high98.5Very high7 Ų720.5 Ų20.54%0.03711%0.11CC..  trans-59.3124.9-171.9-175.269.9000112.6A323 A348 H353 I362 A381 L382N321-A323 PolarHBondContact O-N 3.15Å; N321-A323 VanDerWaalsContact O-N 3.11Å; N321-A348 WeakPolarHBondContact OD1-CB 3.46Å; N321-H353 PolarHBondContact ND2-CE1 3.31Å; N321-H353 PolarHBondContact ND2-ND1 2.91Å; N321-I362 HydrophobicContact CB-CD1 4.4Å; N321-I362 HydrophobicContact CB-CG2 4.47Å; N321-A381 PolarHBondContact N-O 2.76Å; N321-L382 HydrophobicContact CB-CB 4.17Å; N321-L382 HydrophobicContact CB-CD2 3.52Å; N321-L382 HydrophobicContact CB-CG 3.66Å
322E98.5Very high98.5Very high8 Ų819.3 Ų19.34%0.03710%0.101CC..  trans-88.665-176.5-55.3178.5155.800111.9S185 I320 F324 N343 G347 A348 I349S185-E322 WeakPolarHBondContact CB-OE2 3.37Å; S185-E322 PolarHBondContact OG-OE2 3.22Å; I320-E322 PolarHBondContact O-N 2.96Å; E322-F324 PolarHBondContact O-N 3Å; E322-N343 VanDerWaalsContact CD-ND2 3.34Å; E322-N343 WeakPolarHBondContact CG-ND2 3.46Å; E322-N343 PolarHBondContact OE1-ND2 3.3Å; E322-G347 VanDerWaalsContact OE2-C 3.23Å; E322-G347 WeakPolarHBondContact OE2-CA 3.41Å; E322-G347 PolarHBondContact OE2-N 3.24Å; E322-A348 HydrophobicContact CB-CB 4.29Å; E322-A348 PolarHBondContact OE2-N 2.95Å; E322-I349 HydrophobicContact CB-CD1 3.97Å; E322-I349 HydrophobicContact CB-CG1 3.87Å
323A97.4Very high98.5Very high4 Ų423.3 Ų23.33%0.03312%0.117CC..SBendtrans-57.5-40.5175.300000111.3S252 N321 L327S252-A323 PolarHBondContact N-O 3.16Å; S252-A323 PolarHBondContact OG-O 3.11Å; S252-A323 VanDerWaalsContact OG-O 3.12Å; N321-A323 PolarHBondContact O-N 3.15Å; N321-A323 VanDerWaalsContact O-N 3.11Å; A323-L327 HydrophobicContact CB-CD1 4.29Å
324F98.8Very high98.5Very high14 Ų1421.3 Ų21.36%0.06111%0.108CC..BIsolated β-bridgetrans-146.4146.7170.4-56.5-90.8000109.7M160 A164 F238 V246 A251 E322 A326 L327 S328M160-F324 HydrophobicContact CB-CE2 4.06Å; M160-F324 HydrophobicContact CB-CZ 4.23Å; A164-F324 HydrophobicContact CB-CB 3.72Å; A164-F324 HydrophobicContact CB-CD1 4Å; A164-F324 HydrophobicContact CB-CD2 3.7Å; A164-F324 HydrophobicContact CB-CE2 4.33Å; A164-F324 HydrophobicContact CB-CG 3.52Å; F238-F324 AromaticContact CE2-CE1 3.73Å; F238-F324 HydrophobicContact CE2-CE1 3.73Å; F238-F324 HydrophobicContact CZ-CE1 4.12Å; V246-F324 HydrophobicContact CG1-CD1 3.53Å; V246-F324 HydrophobicContact CG1-CE1 3.93Å; A251-F324 HydrophobicContact CB-CD1 3.45Å; A251-F324 VanDerWaalsContact CB-CD1 3.45Å; A251-F324 HydrophobicContact CB-CE1 3.63Å; E322-F324 PolarHBondContact O-N 3Å; F324-A326 VanDerWaalsContact C-N 3.26Å; F324-A326 PolarHBondContact O-N 3.4Å; F324-L327 HydrophobicContact CB-CD1 4.26Å; F324-L327 HydrophobicContact CB-CG 4.11Å; F324-L327 HydrophobicContact CD2-CD1 3.83Å; F324-L327 HydrophobicContact CD2-CG 4.49Å; F324-L327 WeakPolarHBondContact O-CB 3.43Å; F324-L327 PolarHBondContact O-N 3.29Å; F324-L327 VanDerWaalsContact O-N 3.1Å; F324-S328 PolarHBondContact O-N 3.32Å
325A98.8Very high98.5Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-59.6-37.7178.800000112.1Q178 V181 N250 L327 S328 V329 I349Q178-A325 HydrophobicContact CB-CB 3.84Å; Q178-A325 HydrophobicContact CG-CB 4.21Å; Q178-A325 VanDerWaalsContact O-CB 3.32Å; Q178-A325 WeakPolarHBondContact O-CB 3.42Å; V181-A325 HydrophobicContact CB-CB 4.37Å; V181-A325 HydrophobicContact CG1-CB 4.31Å; N250-A325 HydrophobicContact CB-CB 3.94Å; N250-A325 VanDerWaalsContact O-CB 3.32Å; N250-A325 WeakPolarHBondContact O-CB 3.42Å; N250-A325 PolarHBondContact O-N 2.97Å; A325-L327 PolarHBondContact O-N 3.01Å; A325-S328 PolarHBondContact O-N 2.98Å; A325-S328 VanDerWaalsContact O-N 3.15Å; A325-V329 WeakPolarHBondContact O-CG2 3.09Å; A325-V329 PolarHBondContact O-N 3.24Å; A325-I349 HydrophobicContact CB-CD1 3.75Å
326A98.6Very high98.5Very high0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-51.9-41175.400000112.8A164 A168 Q178 F324 A330A164-A326 HydrophobicContact CB-CB 4.45Å; A168-A326 HydrophobicContact CB-CB 3.92Å; Q178-A326 HydrophobicContact CG-CB 4.19Å; F324-A326 VanDerWaalsContact C-N 3.26Å; F324-A326 PolarHBondContact O-N 3.4Å; A326-A330 WeakPolarHBondContact O-CB 3.28Å; A326-A330 PolarHBondContact O-N 3.49Å; A326-A330 VanDerWaalsContact O-N 3.14Å
327L98.2Very high98.5Very high1 Ų119.6 Ų19.61%0.00511%0.111CC..Hα-helixtrans-72.9-45.9-179.7-52.4-179.6000110.8A164 V167 M293 G294 A323 F324 A325 V329 A330 I331A164-L327 HydrophobicContact CB-CD2 4.33Å; A164-L327 HydrophobicContact CB-CG 4.44Å; V167-L327 HydrophobicContact CB-CD2 3.62Å; V167-L327 HydrophobicContact CG1-CD2 3.69Å; V167-L327 HydrophobicContact CG2-CD2 3.67Å; M293-L327 HydrophobicContact CE-CD1 4.39Å; G294-L327 VanDerWaalsContact CA-CD1 3.49Å; A323-L327 HydrophobicContact CB-CD1 4.29Å; F324-L327 HydrophobicContact CB-CD1 4.26Å; F324-L327 HydrophobicContact CB-CG 4.11Å; F324-L327 HydrophobicContact CD2-CD1 3.83Å; F324-L327 HydrophobicContact CD2-CG 4.49Å; F324-L327 WeakPolarHBondContact O-CB 3.43Å; F324-L327 PolarHBondContact O-N 3.29Å; F324-L327 VanDerWaalsContact O-N 3.1Å; A325-L327 PolarHBondContact O-N 3.01Å; L327-V329 PolarHBondContact O-N 2.86Å; L327-A330 PolarHBondContact O-N 2.82Å; L327-I331 WeakPolarHBondContact O-CD1 3.4Å; L327-I331 WeakPolarHBondContact O-CG1 3.49Å; L327-I331 PolarHBondContact O-N 2.87Å
328S97.9Very high98.5Very high10 Ų1022.7 Ų22.77%0.0713%0.127CC..Hα-helixtrans-56.8-48.6178-175.80000111.3F324 A325 A330 I331 V332F324-S328 PolarHBondContact O-N 3.32Å; A325-S328 PolarHBondContact O-N 2.98Å; A325-S328 VanDerWaalsContact O-N 3.15Å; S328-A330 PolarHBondContact O-N 3.02Å; S328-I331 PolarHBondContact O-N 2.92Å; S328-V332 WeakPolarHBondContact O-CB 3.47Å; S328-V332 VanDerWaalsContact O-CG2 3.32Å; S328-V332 WeakPolarHBondContact O-CG2 3.39Å; S328-V332 PolarHBondContact O-N 3.04Å
329V98.5Very high98.3Very high27 Ų2725.5 Ų25.516%0.16415%0.145CC..Hα-helixtrans-60.4-47.3176.8178.40000111.3V173 D177 V181 A325 L327 I331 V332 K333V173-V329 HydrophobicContact CB-CG1 4.4Å; V173-V329 HydrophobicContact CG1-CB 3.68Å; V173-V329 HydrophobicContact CG1-CG1 3.68Å; V173-V329 HydrophobicContact CG1-CG2 3.99Å; V173-V329 HydrophobicContact CG2-CB 4.13Å; V173-V329 HydrophobicContact CG2-CG1 3.9Å; D177-V329 HydrophobicContact CB-CG2 4.49Å; V181-V329 HydrophobicContact CB-CG2 4.23Å; V181-V329 HydrophobicContact CG2-CG2 3.48Å; V181-V329 VanDerWaalsContact CG2-CG2 3.48Å; A325-V329 WeakPolarHBondContact O-CG2 3.09Å; A325-V329 PolarHBondContact O-N 3.24Å; L327-V329 PolarHBondContact O-N 2.86Å; V329-I331 PolarHBondContact O-N 3.24Å; V329-V332 PolarHBondContact O-N 3.41Å; V329-K333 WeakPolarHBondContact O-CB 3.24Å; V329-K333 PolarHBondContact O-N 2.95Å
330A98.7Very high98.3Very high0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-60.7-44.9-179.600000112.1V167 W171 V173 A326 L327 S328 E334V167-A330 HydrophobicContact CG1-CB 3.64Å; W171-A330 HydrophobicContact CB-CB 3.83Å; W171-A330 HydrophobicContact CD2-CB 4.26Å; W171-A330 HydrophobicContact CG-CB 3.74Å; V173-A330 HydrophobicContact CG2-CB 4.31Å; A326-A330 WeakPolarHBondContact O-CB 3.28Å; A326-A330 PolarHBondContact O-N 3.49Å; A326-A330 VanDerWaalsContact O-N 3.14Å; L327-A330 PolarHBondContact O-N 2.82Å; S328-A330 PolarHBondContact O-N 3.02Å; A330-E334 VanDerWaalsContact O-CB 3.24Å; A330-E334 WeakPolarHBondContact O-CB 3.02Å; A330-E334 PolarHBondContact O-N 2.9Å
331I98.7Very high98.3Very high2 Ų234 Ų341%0.0119%0.185CC..Hα-helixtrans-64.4-49.4179.4-64.6158.5000110.9P297 I298 I320 L327 S328 V329 K333 E334 L335P297-I331 HydrophobicContact CB-CD1 3.85Å; P297-I331 HydrophobicContact CB-CG1 4.35Å; P297-I331 HydrophobicContact CB-CG2 4.38Å; P297-I331 HydrophobicContact CG-CD1 3.72Å; I298-I331 HydrophobicContact CD1-CG1 4.24Å; I298-I331 HydrophobicContact CG1-CB 4.28Å; I298-I331 HydrophobicContact CG1-CG1 4.06Å; I298-I331 HydrophobicContact CG1-CG2 4.13Å; I320-I331 HydrophobicContact CD1-CG2 4.03Å; I320-I331 HydrophobicContact CG2-CD1 4Å; I320-I331 HydrophobicContact CG2-CG2 4.39Å; L327-I331 WeakPolarHBondContact O-CD1 3.4Å; L327-I331 WeakPolarHBondContact O-CG1 3.49Å; L327-I331 PolarHBondContact O-N 2.87Å; S328-I331 PolarHBondContact O-N 2.92Å; V329-I331 PolarHBondContact O-N 3.24Å; I331-K333 VanDerWaalsContact C-N 3.33Å; I331-K333 PolarHBondContact O-N 3.21Å; I331-E334 PolarHBondContact O-N 2.93Å; I331-L335 HydrophobicContact CG2-CD1 3.78Å; I331-L335 HydrophobicContact CG2-CG 4.41Å; I331-L335 WeakPolarHBondContact O-CB 3.36Å; I331-L335 WeakPolarHBondContact O-CG 3.5Å; I331-L335 PolarHBondContact O-N 3.49Å
332V98.6Very high98.3Very high28 Ų2834 Ų3417%0.1719%0.185CC..Hα-helixtrans-60-44.51801690000110.8S328 V329 G336 L337 P339 V342S328-V332 WeakPolarHBondContact O-CB 3.47Å; S328-V332 VanDerWaalsContact O-CG2 3.32Å; S328-V332 WeakPolarHBondContact O-CG2 3.39Å; S328-V332 PolarHBondContact O-N 3.04Å; V329-V332 PolarHBondContact O-N 3.41Å; V332-G336 PolarHBondContact O-N 3.2Å; V332-L337 HydrophobicContact CG1-CB 4.33Å; V332-L337 PolarHBondContact O-N 3.4Å; V332-P339 HydrophobicContact CG1-CG 4.33Å; V332-V342 HydrophobicContact CG2-CG1 4.3Å; V332-V342 HydrophobicContact CG2-CG2 4.33Å
333K98.3Very high98.3Very high124 Ų12433.7 Ų33.754%0.53918%0.183SC..Hα-helixtrans-62.9-49.4177.8-179.5179.9175.2-177.60112.1W171 V329 I331 L335 G336W171-K333 PolarHBondContact O-NZ 2.96Å; V329-K333 WeakPolarHBondContact O-CB 3.24Å; V329-K333 PolarHBondContact O-N 2.95Å; I331-K333 VanDerWaalsContact C-N 3.33Å; I331-K333 PolarHBondContact O-N 3.21Å; K333-L335 PolarHBondContact O-N 3.41Å; K333-G336 PolarHBondContact O-N 3.1Å
334E98.2Very high98.4Very high94 Ų9435.4 Ų35.444%0.43919%0.191SC..Hα-helixtrans-67.4-35.6-176.6-173.768.2-154.100112.8W171 I298 A330 I331W171-E334 PolarHBondContact NE1-OE2 2.75Å; I298-E334 HydrophobicContact CD1-CB 3.74Å; I298-E334 HydrophobicContact CD1-CG 3.73Å; I298-E334 HydrophobicContact CG1-CB 4.25Å; I298-E334 HydrophobicContact CG1-CG 4.24Å; I298-E334 HydrophobicContact CG2-CG 3.95Å; A330-E334 VanDerWaalsContact O-CB 3.24Å; A330-E334 WeakPolarHBondContact O-CB 3.02Å; A330-E334 PolarHBondContact O-N 2.9Å; I331-E334 PolarHBondContact O-N 2.93Å
335L98.4Very high98.3Very high14 Ų1435.1 Ų35.17%0.07319%0.19CC..Hα-helixtrans-86.9-8.7178.4-68.1-177.6000113.2I298 I301 K302 L312 I331 K333 L337I298-L335 HydrophobicContact CB-CD2 4.46Å; I298-L335 HydrophobicContact CG1-CG 4.24Å; I298-L335 HydrophobicContact CG2-CD2 3.91Å; I298-L335 HydrophobicContact CG2-CG 4.46Å; I301-L335 HydrophobicContact CB-CD1 4.17Å; I301-L335 HydrophobicContact CD1-CD1 3.72Å; I301-L335 HydrophobicContact CG2-CD1 4.1Å; K302-L335 HydrophobicContact CD-CD2 4.17Å; K302-L335 HydrophobicContact CG-CD2 3.89Å; L312-L335 HydrophobicContact CD1-CB 4.27Å; L312-L335 HydrophobicContact CD1-CD2 4.29Å; L312-L335 WeakPolarHBondContact CD1-O 3.2Å; I331-L335 HydrophobicContact CG2-CD1 3.78Å; I331-L335 HydrophobicContact CG2-CG 4.41Å; I331-L335 WeakPolarHBondContact O-CB 3.36Å; I331-L335 WeakPolarHBondContact O-CG 3.5Å; I331-L335 PolarHBondContact O-N 3.49Å; K333-L335 PolarHBondContact O-N 3.41Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 HydrophobicContact CB-CD1 4.16Å; L335-L337 HydrophobicContact CB-CD2 3.84Å; L335-L337 HydrophobicContact CB-CG 3.62Å; L335-L337 HydrophobicContact CD1-CD1 4.04Å; L335-L337 HydrophobicContact CD1-CG 4.39Å; L335-L337 PolarHBondContact O-N 3.32Å
336G98.4Very high98.3Very high54 Ų5435.1 Ų35.156%0.55719%0.19SC*.THydrogen-bonded Turntrans63.331.2-176.300000113.2V332 K333V332-G336 PolarHBondContact O-N 3.2Å; K333-G336 PolarHBondContact O-N 3.1Å
337L98.4Very high98.3Very high13 Ų1335.1 Ų35.17%0.06819%0.191CC..  trans-73.7144.6-174.6-56.7-179000111.4L312 F318 I320 V332 L335 P339 V342L312-L337 HydrophobicContact CB-CD2 4.37Å; L312-L337 HydrophobicContact CD1-CD2 4.27Å; L312-L337 HydrophobicContact CD2-CD2 4.42Å; F318-L337 HydrophobicContact CD1-CD1 4.26Å; F318-L337 HydrophobicContact CE1-CD1 4.36Å; F318-L337 HydrophobicContact CE1-CD2 4.13Å; F318-L337 HydrophobicContact CE2-CD2 4.08Å; F318-L337 HydrophobicContact CG-CD1 4.38Å; F318-L337 HydrophobicContact CZ-CD2 3.72Å; I320-L337 HydrophobicContact CD1-CD1 3.65Å; V332-L337 HydrophobicContact CG1-CB 4.33Å; V332-L337 PolarHBondContact O-N 3.4Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 HydrophobicContact CB-CD1 4.16Å; L335-L337 HydrophobicContact CB-CD2 3.84Å; L335-L337 HydrophobicContact CB-CG 3.62Å; L335-L337 HydrophobicContact CD1-CD1 4.04Å; L335-L337 HydrophobicContact CD1-CG 4.39Å; L335-L337 PolarHBondContact O-N 3.32Å; L337-P339 VanDerWaalsContact O-CD 3.25Å; L337-P339 WeakPolarHBondContact O-CD 3.35Å; L337-V342 HydrophobicContact CB-CG2 3.94Å; L337-V342 HydrophobicContact CD1-CG2 3.96Å
338N98Very high98.4Very high72 Ų7235.1 Ų35.139%0.38519%0.19SC..  trans-69.9115.1169.1-177.6-25.3000110Q340 K341N338-Q340 PolarHBondContact O-N 2.82Å; N338-Q340 VanDerWaalsContact OD1-CB 3.27Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.33Å; N338-Q340 PolarHBondContact OD1-N 3.41Å; N338-Q340 PolarHBondContact OD1-OE1 3.15Å; N338-K341 HydrophobicContact CB-CD 4.3Å; N338-K341 HydrophobicContact CB-CG 4.21Å; N338-K341 PolarHBondContact O-N 3.45Å
339P96.4Very high98.4Very high60 Ų6034.6 Ų34.639%0.3919%0.187SC..THydrogen-bonded Turntrans-60.1-21.2-178.2-24.334.7000114.4R188 V332 L337 K341 V342R188-P339 PolarHBondContact NH1-O 3.25Å; R188-P339 PolarHBondContact NH2-O 2.93Å; V332-P339 HydrophobicContact CG1-CG 4.33Å; L337-P339 VanDerWaalsContact O-CD 3.25Å; L337-P339 WeakPolarHBondContact O-CD 3.35Å; P339-K341 PolarHBondContact O-N 2.67Å; P339-V342 PolarHBondContact O-N 3.06Å
340Q97.8Very high98.4Very high133 Ų13333.3 Ų33.362%0.62118%0.179SC*.THydrogen-bonded Turntrans-77.1-9177.1-67.672.5-1.600112.5N338 I344N338-Q340 PolarHBondContact O-N 2.82Å; N338-Q340 VanDerWaalsContact OD1-CB 3.27Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.33Å; N338-Q340 PolarHBondContact OD1-N 3.41Å; N338-Q340 PolarHBondContact OD1-OE1 3.15Å; Q340-I344 WeakPolarHBondContact O-CG2 3.27Å
341K98.6Very high98.4Very high50 Ų5033.3 Ų33.322%0.21718%0.179CC..THydrogen-bonded Turntrans-102.4-11.4172.4-64.6-173.5166.5-171.90113.4E313 V315 D316 V317 F318 N338 P339E313-K341 PolarHBondContact O-NZ 2.96Å; E313-K341 VanDerWaalsContact O-NZ 3.16Å; V315-K341 WeakPolarHBondContact O-CD 3.33Å; V315-K341 WeakPolarHBondContact O-CE 3.46Å; V315-K341 PolarHBondContact O-NZ 3.28Å; D316-K341 WeakPolarHBondContact O-CB 3.44Å; D316-K341 WeakPolarHBondContact O-CG 3.33Å; V317-K341 CarbonylContact C-O 3.51Å; V317-K341 WeakPolarHBondContact CA-O 3.45Å; F318-K341 HydrophobicContact CD2-CB 4.19Å; F318-K341 PolarHBondContact N-O 2.92Å; N338-K341 HydrophobicContact CB-CD 4.3Å; N338-K341 HydrophobicContact CB-CG 4.21Å; N338-K341 PolarHBondContact O-N 3.45Å; P339-K341 PolarHBondContact O-N 2.67Å
342V98.8Very high98.4Very high6 Ų633.2 Ų33.24%0.03618%0.179CC..BIsolated β-bridgetrans-104.4125.6-173.5-175.50000110.2R188 F318 I320 V332 L337 P339 I344R188-V342 PolarHBondContact NH1-O 3.43Å; F318-V342 HydrophobicContact CB-CB 4.39Å; F318-V342 HydrophobicContact CB-CG1 4.39Å; F318-V342 HydrophobicContact CB-CG2 4.02Å; F318-V342 HydrophobicContact CD2-CG2 4.29Å; F318-V342 HydrophobicContact CG-CG2 4.38Å; F318-V342 CarbonylContact O-C 3.57Å; F318-V342 WeakPolarHBondContact O-CA 3.47Å; I320-V342 HydrophobicContact CB-CG1 4.42Å; I320-V342 HydrophobicContact CD1-CG1 4.17Å; I320-V342 HydrophobicContact CG1-CG1 4.33Å; V332-V342 HydrophobicContact CG2-CG1 4.3Å; V332-V342 HydrophobicContact CG2-CG2 4.33Å; L337-V342 HydrophobicContact CB-CG2 3.94Å; L337-V342 HydrophobicContact CD1-CG2 3.96Å; P339-V342 PolarHBondContact O-N 3.06Å; V342-I344 PolarHBondContact O-N 3.28Å
343N98.8Very high98.4Very high2 Ų232.3 Ų32.31%0.01117%0.173CC..SBendtrans47.855.8176.2-55.4-18.5000112.2R188 F318 E319 I320 E322 E345 G346R188-N343 WeakPolarHBondContact CD-O 3.25Å; R188-N343 PolarHBondContact NH1-O 2.98Å; F318-N343 PolarHBondContact O-N 3.3Å; E319-N343 WeakPolarHBondContact CA-OD1 3.41Å; I320-N343 PolarHBondContact N-OD1 2.91Å; I320-N343 PolarHBondContact O-ND2 2.9Å; I320-N343 PolarHBondContact O-OD1 3.33Å; E322-N343 VanDerWaalsContact CD-ND2 3.34Å; E322-N343 WeakPolarHBondContact CG-ND2 3.46Å; E322-N343 PolarHBondContact OE1-ND2 3.3Å; N343-E345 PolarHBondContact O-N 2.83Å; N343-G346 WeakPolarHBondContact O-CA 3.31Å; N343-G346 PolarHBondContact O-N 2.9Å
344I98.7Very high98.4Very high39 Ų3926.5 Ų26.520%0.215%0.147CC..THydrogen-bonded Turntrans-71.2-19.5-17067.6171.7000113Q340 V342 G346 T369 T373Q340-I344 WeakPolarHBondContact O-CG2 3.27Å; V342-I344 PolarHBondContact O-N 3.28Å; I344-G346 VanDerWaalsContact C-N 3.35Å; I344-T369 HydrophobicContact CD1-CG2 3.49Å; I344-T369 VanDerWaalsContact CD1-CG2 3.49Å; I344-T369 HydrophobicContact CG1-CG2 3.73Å; I344-T373 HydrophobicContact CD1-CG2 4.12Å
345E98.6Very high98.5Very high8 Ų822.1 Ų22.14%0.03713%0.127CC..THydrogen-bonded Turntrans-95.18.1172-46.9-62.1-174.800112.7T189 A192 H197 F198 N343 T365 R372T189-E345 WeakPolarHBondContact CA-O 3.45Å; T189-E345 PolarHBondContact N-O 2.84Å; T189-E345 PolarHBondContact OG1-O 3.35Å; A192-E345 HydrophobicContact CB-CB 4.02Å; A192-E345 VanDerWaalsContact CB-OE2 3.29Å; A192-E345 WeakPolarHBondContact CB-OE2 3.33Å; H197-E345 IonicContact CE1-OE2 2.59Å; H197-E345 IonicContact CG-OE1 2.68Å; H197-E345 IonicContact CG-OE2 3.96Å; H197-E345 VanDerWaalsContact ND1-CD 3.32Å; H197-E345 IonicContact ND1-OE1 3.96Å; H197-E345 PolarHBondContact ND1-OE1 2.93Å; H197-E345 IonicContact ND1-OE2 2.61Å; H197-E345 PolarHBondContact ND1-OE2 3.47Å; F198-E345 HydrophobicContact CE1-CB 3.81Å; F198-E345 HydrophobicContact CE1-CG 4.38Å; F198-E345 HydrophobicContact CZ-CB 3.76Å; N343-E345 PolarHBondContact O-N 2.83Å; E345-T365 HydrophobicContact CG-CG2 4.43Å; E345-R372 IonicContact OE1-CZ 3.99Å; E345-R372 IonicContact OE1-NE 2.69Å; E345-R372 PolarHBondContact OE1-NE 3.17Å; E345-R372 VanDerWaalsContact OE1-NE 3.08Å; E345-R372 IonicContact OE1-NH2 3.06Å; E345-R372 PolarHBondContact OE1-NH2 3.18Å
346G98.6Very high98.5Very high0 Ų021.4 Ų21.40%012%0.123CC..  trans79.5167.5-168.800000112.2T189 N343 I344T189-G346 WeakPolarHBondContact OG1-CA 3.35Å; N343-G346 WeakPolarHBondContact O-CA 3.31Å; N343-G346 PolarHBondContact O-N 2.9Å; I344-G346 VanDerWaalsContact C-N 3.35Å
347G98.5Very high98.5Very high1 Ų118.9 Ų18.91%0.0110%0.097CC..  trans-127.3-157.5-173.800000113.4S185 E322 I349 A350 L351S185-G347 PolarHBondContact OG-N 3.39Å; E322-G347 VanDerWaalsContact OE2-C 3.23Å; E322-G347 WeakPolarHBondContact OE2-CA 3.41Å; E322-G347 PolarHBondContact OE2-N 3.24Å; G347-I349 PolarHBondContact O-N 3.14Å; G347-A350 PolarHBondContact O-N 3.47Å; G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 2.98Å
348A98.7Very high98.5Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-68.9-15.5-169.400000114.5S252 N321 E322 A350 G352 H353S252-A348 WeakPolarHBondContact CB-O 3.31Å; N321-A348 WeakPolarHBondContact OD1-CB 3.46Å; E322-A348 HydrophobicContact CB-CB 4.29Å; E322-A348 PolarHBondContact OE2-N 2.95Å; A348-A350 PolarHBondContact O-N 3.47Å; A348-G352 WeakPolarHBondContact CB-O 3.33Å; A348-G352 VanDerWaalsContact O-CA 3.25Å; A348-G352 WeakPolarHBondContact O-CA 3.47Å; A348-G352 PolarHBondContact O-N 2.66Å; A348-H353 HydrophobicContact CB-CB 4.24Å
349I98.8Very high98.5Very high0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-64.6-34.3170.5-67.5163.5000110.6V181 A182 Q186 F221 A249 E322 A325 G347V181-I349 HydrophobicContact CG1-CD1 4.42Å; A182-I349 HydrophobicContact CB-CD1 4.49Å; A182-I349 HydrophobicContact CB-CG2 3.87Å; Q186-I349 PolarHBondContact NE2-O 3.44Å; F221-I349 WeakPolarHBondContact CE1-O 3.31Å; A249-I349 VanDerWaalsContact O-CG2 3.31Å; A249-I349 WeakPolarHBondContact O-CG2 3.5Å; E322-I349 HydrophobicContact CB-CD1 3.97Å; E322-I349 HydrophobicContact CB-CG1 3.87Å; A325-I349 HydrophobicContact CB-CD1 3.75Å; G347-I349 PolarHBondContact O-N 3.14Å
350A98.8Very high98.7Very high0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-97.5-45.2178.200000113S185 Q186 T189 F221 P222 G347 A348S185-A350 WeakPolarHBondContact OG-CB 3.4Å; Q186-A350 HydrophobicContact CG-CB 4.2Å; T189-A350 HydrophobicContact CG2-CB 4.15Å; T189-A350 WeakPolarHBondContact OG1-CB 3.22Å; F221-A350 CarbonylContact C-O 3.54Å; F221-A350 VanDerWaalsContact CD1-O 3.29Å; F221-A350 WeakPolarHBondContact CD1-O 3.49Å; P222-A350 VanDerWaalsContact CA-O 3.31Å; P222-A350 WeakPolarHBondContact CA-O 3.49Å; P222-A350 WeakPolarHBondContact CD-O 3.32Å; P222-A350 WeakPolarHBondContact CG-O 3.48Å; P222-A350 VanDerWaalsContact N-O 3.1Å; G347-A350 PolarHBondContact O-N 3.47Å; A348-A350 PolarHBondContact O-N 3.47Å
351L98.8Very high98.7Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-81.5-29.4-174.6-71.8167.7000113.1I18 T189 F198 D219 G347I18-L351 VanDerWaalsContact CB-O 3.31Å; I18-L351 WeakPolarHBondContact CB-O 3.42Å; I18-L351 HydrophobicContact CD1-CB 4.1Å; I18-L351 WeakPolarHBondContact CG2-O 3.4Å; T189-L351 HydrophobicContact CG2-CD2 3.6Å; T189-L351 HydrophobicContact CG2-CG 3.94Å; F198-L351 HydrophobicContact CE2-CD2 4.18Å; F198-L351 HydrophobicContact CZ-CD1 4.31Å; F198-L351 HydrophobicContact CZ-CD2 4.17Å; D219-L351 HydrophobicContact CB-CD2 4.2Å; G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 2.98Å
352G98.7Very high98.7Very high0 Ų03.5 Ų3.50%02%0.018CC..  trans101169.3-17500000114.9N255 A348N255-G352 VanDerWaalsContact CG-CA 3.43Å; N255-G352 WeakPolarHBondContact OD1-CA 3.45Å; A348-G352 WeakPolarHBondContact CB-O 3.33Å; A348-G352 VanDerWaalsContact O-CA 3.25Å; A348-G352 WeakPolarHBondContact O-CA 3.47Å; A348-G352 PolarHBondContact O-N 2.66Å
353H98.8Very high98.7Very high9 Ų93.2 Ų3.24%0.0422%0.016CC..  trans-134.573.7-171.5-168.939.1000114.1C92 S252 N255 N321 A348 L355 S358C92-H353 PolarHBondContact SG-NE2 3.01Å; S252-H353 WeakPolarHBondContact OG-CB 3.31Å; N255-H353 PolarHBondContact OD1-N 2.93Å; N321-H353 PolarHBondContact ND2-CE1 3.31Å; N321-H353 PolarHBondContact ND2-ND1 2.91Å; A348-H353 HydrophobicContact CB-CB 4.24Å; H353-L355 PolarHBondContact O-N 3.44Å; H353-L355 VanDerWaalsContact O-N 3.12Å; H353-S358 VanDerWaalsContact CE1-CB 3.41Å; H353-S358 WeakPolarHBondContact CE1-CB 3.27Å; H353-S358 PolarHBondContact CE1-OG 3.38Å; H353-S358 WeakPolarHBondContact ND1-CB 3.38Å; H353-S358 PolarHBondContact ND1-OG 2.64Å
354P98.7Very high98.7Very high1 Ų13.1 Ų3.11%0.0062%0.016CC..  trans-67.4108.4168.226.9-31.7000109.3I18 E120 N255 G356 A357 S358I18-P354 HydrophobicContact CG2-CG 4.3Å; E120-P354 HydrophobicContact CB-CB 3.97Å; N255-P354 HydrophobicContact CB-CB 4.47Å; N255-P354 WeakPolarHBondContact O-CA 3.29Å; N255-P354 WeakPolarHBondContact O-CB 3.13Å; P354-G356 PolarHBondContact O-N 3.49Å; P354-A357 HydrophobicContact CB-CB 4.13Å; P354-A357 HydrophobicContact CG-CB 4.03Å; P354-A357 PolarHBondContact O-N 3.42Å; P354-A357 VanDerWaalsContact O-N 3.11Å; P354-S358 WeakPolarHBondContact CD-OG 3.46Å; P354-S358 WeakPolarHBondContact O-CB 3.39Å; P354-S358 PolarHBondContact O-N 2.98Å; P354-S358 PolarHBondContact O-OG 3.39Å
355L98.5Very high98.8Very high2 Ų21.3 Ų1.31%0.011%0.006CC..Hα-helixtrans-47-65.1-165.3-65.3176.8000113.5V60 E120 M122 L151 H353 A357 S358V60-L355 HydrophobicContact CB-CB 4.38Å; V60-L355 HydrophobicContact CG1-CD1 4.48Å; V60-L355 HydrophobicContact CG2-CB 4.03Å; E120-L355 HydrophobicContact CG-CB 4.34Å; M122-L355 HydrophobicContact CE-CD1 3.75Å; M122-L355 HydrophobicContact CE-CG 3.79Å; M122-L355 HydrophobicContact SD-CG 3.99Å; L151-L355 HydrophobicContact CD2-CD1 4.39Å; L151-L355 HydrophobicContact CD2-CD2 4.19Å; H353-L355 PolarHBondContact O-N 3.44Å; H353-L355 VanDerWaalsContact O-N 3.12Å; L355-A357 VanDerWaalsContact C-N 3.26Å; L355-A357 PolarHBondContact O-N 3.44Å; L355-S358 PolarHBondContact O-N 2.59Å
356G98.4Very high98.8Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-62.4-28.4-177.500000114.7G95 G118 E120 P354G95-G356 VanDerWaalsContact CA-O 3.24Å; G95-G356 WeakPolarHBondContact CA-O 3.42Å; G95-G356 PolarHBondContact N-O 3.03Å; G118-G356 WeakPolarHBondContact CA-O 3.42Å; E120-G356 WeakPolarHBondContact OE2-CA 3.37Å; E120-G356 PolarHBondContact OE2-N 2.84Å; P354-G356 PolarHBondContact O-N 3.49Å
357A98.8Very high98.8Very high1 Ų11 Ų11%0.0081%0.005CC..Hα-helixtrans-89.2-28.7-176.600000114.1G118 G257 P354 L355 G359 C360 R361G118-A357 WeakPolarHBondContact O-CB 3.17Å; G257-A357 WeakPolarHBondContact O-CB 2.97Å; P354-A357 HydrophobicContact CB-CB 4.13Å; P354-A357 HydrophobicContact CG-CB 4.03Å; P354-A357 PolarHBondContact O-N 3.42Å; P354-A357 VanDerWaalsContact O-N 3.11Å; L355-A357 VanDerWaalsContact C-N 3.26Å; L355-A357 PolarHBondContact O-N 3.44Å; A357-G359 VanDerWaalsContact C-N 3.27Å; A357-G359 PolarHBondContact O-N 2.84Å; A357-G359 VanDerWaalsContact O-N 3.15Å; A357-C360 PolarHBondContact O-N 3.43Å; A357-R361 PolarHBondContact O-N 3.29Å
358S98.8Very high98.8Very high0 Ų01.6 Ų1.60%01%0.007CC..Hα-helixtrans-58.8-36.6-166.2-70.20000113.9H353 P354 L355 C360 R361 I362H353-S358 VanDerWaalsContact CE1-CB 3.41Å; H353-S358 WeakPolarHBondContact CE1-CB 3.27Å; H353-S358 PolarHBondContact CE1-OG 3.38Å; H353-S358 WeakPolarHBondContact ND1-CB 3.38Å; H353-S358 PolarHBondContact ND1-OG 2.64Å; P354-S358 WeakPolarHBondContact CD-OG 3.46Å; P354-S358 WeakPolarHBondContact O-CB 3.39Å; P354-S358 PolarHBondContact O-N 2.98Å; P354-S358 PolarHBondContact O-OG 3.39Å; L355-S358 PolarHBondContact O-N 2.59Å; S358-C360 VanDerWaalsContact C-N 3.35Å; S358-C360 PolarHBondContact O-N 3.22Å; S358-R361 PolarHBondContact O-N 3.47Å; S358-I362 PolarHBondContact O-N 3.47Å
359G98.8Very high98.8Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-60.9-41177.200000113.9A357 I362A357-G359 VanDerWaalsContact C-N 3.27Å; A357-G359 PolarHBondContact O-N 2.84Å; A357-G359 VanDerWaalsContact O-N 3.15Å; G359-I362 WeakPolarHBondContact O-CG1 3.32Å
360C98.9Very high98.8Very high0 Ų01.8 Ų1.80%01%0.009CC..Hα-helixtrans-78.5-36.2174.3-174.40000111A259 A357 S358 I362 L363 V364A259-C360 HydrophobicContact CB-CB 3.95Å; A357-C360 PolarHBondContact O-N 3.43Å; S358-C360 VanDerWaalsContact C-N 3.35Å; S358-C360 PolarHBondContact O-N 3.22Å; C360-I362 PolarHBondContact O-N 2.94Å; C360-L363 WeakPolarHBondContact O-CA 3.21Å; C360-L363 WeakPolarHBondContact O-CB 3.39Å; C360-L363 PolarHBondContact O-N 3.33Å; C360-V364 WeakPolarHBondContact O-CG2 3.24Å; C360-V364 PolarHBondContact O-N 2.8Å
361R98.9Very high98.8Very high5 Ų55.4 Ų5.42%0.0193%0.026CC..Hα-helixtrans-54.9-49.3178.4-170.4-80.6-63.4167.8-1.4112I18 A259 A357 S358 L363 V364 T365I18-R361 HydrophobicContact CD1-CG 4.01Å; A259-R361 HydrophobicContact CB-CB 4.09Å; A357-R361 PolarHBondContact O-N 3.29Å; S358-R361 PolarHBondContact O-N 3.47Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 3.43Å; R361-V364 WeakPolarHBondContact O-CB 3.25Å; R361-V364 PolarHBondContact O-N 2.94Å; R361-T365 PolarHBondContact O-N 3.15Å; R361-T365 PolarHBondContact O-OG1 3.06Å
362I98.9Very high98.8Very high0 Ų010.6 Ų10.60%05%0.045CC..Hα-helixtrans-67-30.3179.367.3160.9000112.3E319 N321 S358 G359 C360 L366 A380 A381 L382E319-I362 HydrophobicContact CB-CB 4.09Å; E319-I362 HydrophobicContact CB-CD1 4.41Å; E319-I362 WeakPolarHBondContact O-CD1 3.35Å; N321-I362 HydrophobicContact CB-CD1 4.4Å; N321-I362 HydrophobicContact CB-CG2 4.47Å; S358-I362 PolarHBondContact O-N 3.47Å; G359-I362 WeakPolarHBondContact O-CG1 3.32Å; C360-I362 PolarHBondContact O-N 2.94Å; I362-L366 VanDerWaalsContact O-CB 3.29Å; I362-L366 WeakPolarHBondContact O-CB 3.4Å; I362-L366 PolarHBondContact O-N 3.47Å; I362-A380 HydrophobicContact CD1-CB 4.07Å; I362-A380 HydrophobicContact CG1-CB 4.24Å; I362-A381 WeakPolarHBondContact CD1-O 3.38Å; I362-L382 HydrophobicContact CD1-CD1 3.54Å; I362-L382 HydrophobicContact CD1-CD2 4.14Å; I362-L382 HydrophobicContact CD1-CG 3.65Å; I362-L382 HydrophobicContact CG1-CD1 4.15Å; I362-L382 HydrophobicContact CG1-CG 4.45Å
363L98.9Very high98.7Very high0 Ų013.5 Ų13.50%06%0.063CC..Hα-helixtrans-68.9-42173.9177.164.3000111I10 L96 V99 C360 R361 L366 L367 A380 M392 V394I10-L363 HydrophobicContact CD1-CD2 4.04Å; L96-L363 HydrophobicContact CD1-CB 4.23Å; L96-L363 HydrophobicContact CD1-CD2 3.99Å; V99-L363 HydrophobicContact CB-CD2 4.36Å; V99-L363 HydrophobicContact CG1-CD2 3.9Å; V99-L363 HydrophobicContact CG2-CD2 3.98Å; C360-L363 WeakPolarHBondContact O-CA 3.21Å; C360-L363 WeakPolarHBondContact O-CB 3.39Å; C360-L363 PolarHBondContact O-N 3.33Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 3.43Å; L363-L366 HydrophobicContact CD1-CD2 4.43Å; L363-L366 WeakPolarHBondContact O-CB 3.32Å; L363-L366 PolarHBondContact O-N 3.12Å; L363-L367 HydrophobicContact CD1-CD1 4.35Å; L363-L367 HydrophobicContact CD1-CG 4.27Å; L363-L367 HydrophobicContact CG-CD1 4.13Å; L363-L367 HydrophobicContact CG-CG 4.5Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 3.49Å; L363-A380 HydrophobicContact CB-CB 4.4Å; L363-A380 HydrophobicContact CD1-CB 4.32Å; L363-M392 HydrophobicContact CD1-SD 4.36Å; L363-M392 HydrophobicContact CD2-SD 4.04Å; L363-V394 HydrophobicContact CD1-CG1 4Å
364V98.9Very high98.7Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-56.2-53.3173.6171.60000109.4A13 R15 E201 A259 V261 C360 R361 L366 L367 H368A13-V364 HydrophobicContact CB-CB 4.45Å; A13-V364 HydrophobicContact CB-CG1 4.25Å; A13-V364 HydrophobicContact CB-CG2 4.11Å; R15-V364 HydrophobicContact CB-CG1 4.33Å; R15-V364 HydrophobicContact CG-CG1 4.15Å; E201-V364 HydrophobicContact CB-CG1 3.84Å; A259-V364 HydrophobicContact CB-CG2 4.15Å; V261-V364 HydrophobicContact CG1-CG2 4.28Å; C360-V364 WeakPolarHBondContact O-CG2 3.24Å; C360-V364 PolarHBondContact O-N 2.8Å; R361-V364 WeakPolarHBondContact O-CB 3.25Å; R361-V364 PolarHBondContact O-N 2.94Å; V364-L366 VanDerWaalsContact C-N 3.33Å; V364-L366 PolarHBondContact O-N 2.83Å; V364-L367 PolarHBondContact O-N 2.97Å; V364-H368 PolarHBondContact O-CD2 3.28Å; V364-H368 PolarHBondContact O-N 3.46Å
365T98.9Very high98.6Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-59.9-41.1178.7-55.90000112.4F198 E201 E345 R361 L367 H368 T369F198-T365 HydrophobicContact CE1-CG2 4.2Å; E201-T365 PolarHBondContact OE1-OG1 2.82Å; E201-T365 WeakPolarHBondContact OE2-CA 3.45Å; E345-T365 HydrophobicContact CG-CG2 4.43Å; R361-T365 PolarHBondContact O-N 3.15Å; R361-T365 PolarHBondContact O-OG1 3.06Å; T365-L367 PolarHBondContact O-N 2.9Å; T365-H368 PolarHBondContact O-N 3.31Å; T365-T369 WeakPolarHBondContact O-CB 3.25Å; T365-T369 PolarHBondContact O-N 2.97Å; T365-T369 PolarHBondContact O-OG1 3.38Å
366L98.9Very high98.6Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-58.5-46.9175.6178.863.5000112.2V317 E319 I362 L363 V364 T369 L370 A380 V394V317-L366 HydrophobicContact CB-CD1 3.83Å; V317-L366 HydrophobicContact CG1-CD1 3.64Å; E319-L366 HydrophobicContact CB-CB 4.21Å; E319-L366 HydrophobicContact CG-CB 3.82Å; E319-L366 HydrophobicContact CG-CD1 4.25Å; I362-L366 VanDerWaalsContact O-CB 3.29Å; I362-L366 WeakPolarHBondContact O-CB 3.4Å; I362-L366 PolarHBondContact O-N 3.47Å; L363-L366 HydrophobicContact CD1-CD2 4.43Å; L363-L366 WeakPolarHBondContact O-CB 3.32Å; L363-L366 PolarHBondContact O-N 3.12Å; V364-L366 VanDerWaalsContact C-N 3.33Å; V364-L366 PolarHBondContact O-N 2.83Å; L366-T369 PolarHBondContact O-N 3.5Å; L366-L370 HydrophobicContact CD1-CD1 4.35Å; L366-L370 HydrophobicContact CD1-CG 4.25Å; L366-L370 HydrophobicContact CG-CD1 4.21Å; L366-L370 WeakPolarHBondContact O-CB 3.41Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 3.28Å; L366-A380 HydrophobicContact CD2-CB 3.86Å; L366-V394 HydrophobicContact CD2-CG2 3.81Å; L366-V394 HydrophobicContact CG-CG2 4.37Å
367L98.9Very high98.6Very high3 Ų322.7 Ų22.72%0.01612%0.118CC..Hα-helixtrans-62.7-47.3-177.8-69.1166.3000111.6I10 A13 V261 L277 A278 L363 V364 T365 T369 L370 E371 V394I10-L367 HydrophobicContact CB-CD1 4.42Å; I10-L367 HydrophobicContact CD1-CD1 3.95Å; I10-L367 HydrophobicContact CD1-CD2 4.39Å; I10-L367 HydrophobicContact CG2-CD1 3.79Å; A13-L367 HydrophobicContact CB-CD1 3.82Å; V261-L367 HydrophobicContact CG1-CD1 4.42Å; L277-L367 HydrophobicContact CB-CD2 4.4Å; A278-L367 HydrophobicContact CB-CD2 3.42Å; A278-L367 VanDerWaalsContact CB-CD2 3.42Å; L363-L367 HydrophobicContact CD1-CD1 4.35Å; L363-L367 HydrophobicContact CD1-CG 4.27Å; L363-L367 HydrophobicContact CG-CD1 4.13Å; L363-L367 HydrophobicContact CG-CG 4.5Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 3.49Å; V364-L367 PolarHBondContact O-N 2.97Å; T365-L367 PolarHBondContact O-N 2.9Å; L367-T369 VanDerWaalsContact C-N 3.34Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-E371 PolarHBondContact O-N 3.02Å; L367-V394 HydrophobicContact CD2-CG2 4.27Å
368H98.9Very high98.6Very high12 Ų1222.7 Ų22.76%0.05612%0.118CC..Hα-helixtrans-68.8-34177.8-71-74.5000112A13 E201 V364 T365 E371 R372A13-H368 PolarHBondContact O-NE2 3.42Å; E201-H368 HydrophobicContact CB-CB 4.47Å; E201-H368 WeakPolarHBondContact CB-CD2 3.42Å; E201-H368 IonicContact OE2-CD2 3.88Å; E201-H368 IonicContact OE2-CG 3.51Å; V364-H368 PolarHBondContact O-CD2 3.28Å; V364-H368 PolarHBondContact O-N 3.46Å; T365-H368 PolarHBondContact O-N 3.31Å; H368-E371 IonicContact ND1-OE2 2.71Å; H368-E371 PolarHBondContact O-N 2.68Å; H368-R372 VanDerWaalsContact O-CB 3.25Å; H368-R372 WeakPolarHBondContact O-CB 3.38Å; H368-R372 PolarHBondContact O-N 3.45Å
369T98.9Very high98.6Very high3 Ų322.7 Ų22.72%0.01812%0.118CC..Hα-helixtrans-65.4-45.7174.2-61.60000111.7V317 I344 T365 L366 L367 E371 R372 T373V317-T369 HydrophobicContact CG1-CG2 4Å; V317-T369 HydrophobicContact CG2-CG2 4.3Å; I344-T369 HydrophobicContact CD1-CG2 3.49Å; I344-T369 VanDerWaalsContact CD1-CG2 3.49Å; I344-T369 HydrophobicContact CG1-CG2 3.73Å; T365-T369 WeakPolarHBondContact O-CB 3.25Å; T365-T369 PolarHBondContact O-N 2.97Å; T365-T369 PolarHBondContact O-OG1 3.38Å; L366-T369 PolarHBondContact O-N 3.5Å; L367-T369 VanDerWaalsContact C-N 3.34Å; T369-E371 VanDerWaalsContact C-N 3.34Å; T369-E371 PolarHBondContact O-N 2.84Å; T369-R372 PolarHBondContact O-N 3.31Å; T369-T373 HydrophobicContact CG2-CG2 4.21Å; T369-T373 WeakPolarHBondContact O-CB 3.41Å; T369-T373 VanDerWaalsContact O-CG2 3.31Å; T369-T373 WeakPolarHBondContact O-CG2 3.44Å; T369-T373 PolarHBondContact O-N 2.86Å; T369-T373 PolarHBondContact O-OG1 3.13Å
370L98.7Very high98.6Very high2 Ų222.7 Ų22.71%0.0112%0.118CC..Hα-helixtrans-59.3-47.3175.4-73.3172000110.4V317 L366 L367 T373 G374 G375 V394 R396V317-L370 HydrophobicContact CB-CD2 4.04Å; V317-L370 HydrophobicContact CG2-CD2 3.9Å; L366-L370 HydrophobicContact CD1-CD1 4.35Å; L366-L370 HydrophobicContact CD1-CG 4.25Å; L366-L370 HydrophobicContact CG-CD1 4.21Å; L366-L370 WeakPolarHBondContact O-CB 3.41Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 3.28Å; L367-L370 PolarHBondContact O-N 3.4Å; L370-T373 PolarHBondContact O-N 2.98Å; L370-T373 PolarHBondContact O-OG1 2.8Å; L370-G374 PolarHBondContact O-N 2.66Å; L370-G375 PolarHBondContact O-N 3.42Å; L370-G375 VanDerWaalsContact O-N 3.11Å; L370-V394 HydrophobicContact CD1-CG2 3.97Å; L370-R396 PolarHBondContact O-NH1 2.86Å
371E98.4Very high98.6Very high75 Ų7522.7 Ų22.735%0.3512%0.118SC..Hα-helixtrans-56.6-53175.9-173.6-171-151.400111.8K200 L367 H368 T369 T373 G374K200-E371 IonicContact NZ-OE1 3.36Å; K200-E371 PolarHBondContact NZ-OE1 3.22Å; K200-E371 IonicContact NZ-OE2 3.52Å; K200-E371 PolarHBondContact NZ-OE2 2.77Å; L367-E371 PolarHBondContact O-N 3.02Å; H368-E371 IonicContact ND1-OE2 2.71Å; H368-E371 PolarHBondContact O-N 2.68Å; T369-E371 VanDerWaalsContact C-N 3.34Å; T369-E371 PolarHBondContact O-N 2.84Å; E371-T373 VanDerWaalsContact C-N 3.34Å; E371-T373 PolarHBondContact O-N 3.05Å; E371-G374 PolarHBondContact O-N 3.04Å
372R98.3Very high98.6Very high110 Ų11022.4 Ų22.442%0.41512%0.117SC..Hα-helixtrans-61.5-38.9-177.2-172.7-170.862.361.92.5113E345 H368 T369E345-R372 IonicContact OE1-CZ 3.99Å; E345-R372 IonicContact OE1-NE 2.69Å; E345-R372 PolarHBondContact OE1-NE 3.17Å; E345-R372 VanDerWaalsContact OE1-NE 3.08Å; E345-R372 IonicContact OE1-NH2 3.06Å; E345-R372 PolarHBondContact OE1-NH2 3.18Å; H368-R372 VanDerWaalsContact O-CB 3.25Å; H368-R372 WeakPolarHBondContact O-CB 3.38Å; H368-R372 PolarHBondContact O-N 3.45Å; T369-R372 PolarHBondContact O-N 3.31Å
373T97.9Very high98.6Very high60 Ų6022.5 Ų22.537%0.36812%0.118SC..Hα-helixtrans-89.7-9.8-174.956.90000113.9I344 T369 L370 E371 G375I344-T373 HydrophobicContact CD1-CG2 4.12Å; T369-T373 HydrophobicContact CG2-CG2 4.21Å; T369-T373 WeakPolarHBondContact O-CB 3.41Å; T369-T373 VanDerWaalsContact O-CG2 3.31Å; T369-T373 WeakPolarHBondContact O-CG2 3.44Å; T369-T373 PolarHBondContact O-N 2.86Å; T369-T373 PolarHBondContact O-OG1 3.13Å; L370-T373 PolarHBondContact O-N 2.98Å; L370-T373 PolarHBondContact O-OG1 2.8Å; E371-T373 VanDerWaalsContact C-N 3.34Å; E371-T373 PolarHBondContact O-N 3.05Å; T373-G375 PolarHBondContact O-N 3Å; T373-G375 PolarHBondContact OG1-N 2.93Å
374G97.6Very high98.6Very high42 Ų4222.5 Ų22.543%0.43312%0.118SC..THydrogen-bonded Turntrans76.24.9-170.500000113.8L370 E371 R396L370-G374 PolarHBondContact O-N 2.66Å; E371-G374 PolarHBondContact O-N 3.04Å; G374-R396 PolarHBondContact O-NH1 3.43Å; G374-R396 VanDerWaalsContact O-NH1 3.11Å; G374-R396 PolarHBondContact O-NH2 2.66Å
375G97.6Very high98.5Very high10 Ų1022.6 Ų22.610%0.10312%0.119CC..  trans-65145.9177.900000114.2L370 T373 R396L370-G375 PolarHBondContact O-N 3.42Å; L370-G375 VanDerWaalsContact O-N 3.11Å; T373-G375 PolarHBondContact O-N 3Å; T373-G375 PolarHBondContact OG1-N 2.93Å; G375-R396 VanDerWaalsContact N-NH1 3.19Å; G375-R396 VanDerWaalsContact O-CZ 3.32Å; G375-R396 PolarHBondContact O-NH1 3.16Å
376I98.4Very high98.5Very high80 Ų8023.8 Ų23.841%0.4113%0.131SC..  trans-102.5-45.6-171.3-62175000110.8D316 Q395 R396D316-I376 WeakPolarHBondContact OD2-CA 3.37Å; D316-I376 PolarHBondContact OD2-N 3.43Å; I376-Q395 HydrophobicContact CG2-CG 3.87Å; I376-Q395 CarbonylContact O-C 3.5Å; I376-Q395 VanDerWaalsContact O-CA 3.22Å; I376-Q395 WeakPolarHBondContact O-CA 3.44Å; I376-R396 PolarHBondContact O-N 2.72Å
377R98.8Very high98.4Very high74 Ų7423.9 Ų23.928%0.27913%0.132SC..EExtended strand (participates in β ladder)trans-114.7126.9-173.3-63.4-175.5-173.9118.6-5.4111.5W310 D314 D316 V317 Q395W310-R377 HydrophobicContact CE3-CB 4.26Å; W310-R377 HydrophobicContact CE3-CG 4.46Å; W310-R377 HydrophobicContact CH2-CB 3.81Å; W310-R377 HydrophobicContact CH2-CG 3.75Å; W310-R377 HydrophobicContact CZ2-CB 4.36Å; W310-R377 HydrophobicContact CZ2-CG 3.79Å; W310-R377 HydrophobicContact CZ3-CB 3.76Å; W310-R377 HydrophobicContact CZ3-CG 4.09Å; D314-R377 WeakPolarHBondContact O-CD 3.3Å; D314-R377 IonicContact OD1-NH1 3.83Å; D316-R377 WeakPolarHBondContact CB-O 3.39Å; D316-R377 PolarHBondContact N-O 3.35Å; D316-R377 PolarHBondContact OD2-N 3.2Å; V317-R377 PolarHBondContact N-O 3.45Å; R377-Q395 HydrophobicContact CG-CG 4.42Å
378G98.9Very high98.4Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-124.5152178.600000113.5V317 C393 V394V317-G378 CarbonylContact O-C 3.33Å; V317-G378 VanDerWaalsContact O-CA 3.25Å; V317-G378 WeakPolarHBondContact O-CA 3.43Å; G378-C393 WeakPolarHBondContact O-CA 3.41Å; G378-V394 PolarHBondContact N-O 3.1Å; G378-V394 PolarHBondContact O-N 2.94Å
379V98.9Very high98.4Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-128.5123.7170.8175.50000110.5I301 V305 V315 V317 F318 E319 M392I301-V379 HydrophobicContact CG1-CG1 4.07Å; I301-V379 HydrophobicContact CG2-CG1 4.37Å; V305-V379 HydrophobicContact CG2-CG2 4.05Å; V315-V379 HydrophobicContact CB-CG2 4.45Å; V315-V379 HydrophobicContact CG1-CB 4.2Å; V315-V379 HydrophobicContact CG1-CG2 3.78Å; V315-V379 HydrophobicContact CG2-CG2 3.77Å; V317-V379 PolarHBondContact O-N 3.42Å; F318-V379 CarbonylContact C-O 3.57Å; F318-V379 WeakPolarHBondContact CA-O 3.12Å; F318-V379 HydrophobicContact CD1-CB 3.69Å; F318-V379 HydrophobicContact CD1-CG1 4.11Å; F318-V379 HydrophobicContact CD1-CG2 4.32Å; F318-V379 HydrophobicContact CE1-CB 3.99Å; F318-V379 HydrophobicContact CE1-CG1 4.4Å; F318-V379 HydrophobicContact CE1-CG2 4.12Å; E319-V379 PolarHBondContact N-O 3.44Å; V379-M392 WeakPolarHBondContact CA-O 3.08Å
380A98.9Very high98.4Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-104130.2168.800000109.4L96 E319 I362 L363 L366 A391 M392L96-A380 HydrophobicContact CD2-CB 4.47Å; E319-A380 CarbonylContact O-C 3.53Å; E319-A380 VanDerWaalsContact O-CA 3.29Å; E319-A380 WeakPolarHBondContact O-CA 3.47Å; I362-A380 HydrophobicContact CD1-CB 4.07Å; I362-A380 HydrophobicContact CG1-CB 4.24Å; L363-A380 HydrophobicContact CB-CB 4.4Å; L363-A380 HydrophobicContact CD1-CB 4.32Å; L366-A380 HydrophobicContact CD2-CB 3.86Å; A380-A391 CarbonylContact O-C 3.6Å; A380-A391 VanDerWaalsContact O-CA 3.23Å; A380-A391 WeakPolarHBondContact O-CA 3.28Å; A380-M392 PolarHBondContact N-O 2.65Å; A380-M392 PolarHBondContact O-N 3.13Å
381A98.9Very high98.5Very high0 Ų026.1 Ų26.10%014%0.143CC..EExtended strand (participates in β ladder)trans-147.9147.6-178.400000114.2P297 I301 E319 I320 N321 I362 I390 A391P297-A381 HydrophobicContact CB-CB 4.33Å; I301-A381 HydrophobicContact CD1-CB 3.75Å; I301-A381 HydrophobicContact CG1-CB 3.57Å; E319-A381 PolarHBondContact O-N 2.98Å; I320-A381 WeakPolarHBondContact CA-O 3.32Å; N321-A381 PolarHBondContact N-O 2.76Å; I362-A381 WeakPolarHBondContact CD1-O 3.38Å; A381-I390 VanDerWaalsContact CA-O 3.25Å; A381-I390 WeakPolarHBondContact CA-O 3.37Å; A381-A391 HydrophobicContact CB-CB 3.88Å
382L98.3Very high98.5Very high0 Ų022.5 Ų22.50%013%0.126CC..EExtended strand (participates in β ladder)trans-141.4144.7-179.7-52.794.2000111.9L96 N321 I362 G389 I390L96-L382 HydrophobicContact CB-CD1 4.06Å; L96-L382 HydrophobicContact CD2-CD1 3.66Å; N321-L382 HydrophobicContact CB-CB 4.17Å; N321-L382 HydrophobicContact CB-CD2 3.52Å; N321-L382 HydrophobicContact CB-CG 3.66Å; I362-L382 HydrophobicContact CD1-CD1 3.54Å; I362-L382 HydrophobicContact CD1-CD2 4.14Å; I362-L382 HydrophobicContact CD1-CG 3.65Å; I362-L382 HydrophobicContact CG1-CD1 4.15Å; I362-L382 HydrophobicContact CG1-CG 4.45Å; L382-G389 WeakPolarHBondContact O-CA 3.34Å; L382-I390 HydrophobicContact CB-CG2 4.25Å; L382-I390 HydrophobicContact CD1-CG2 4.07Å; L382-I390 PolarHBondContact N-O 3.26Å; L382-I390 PolarHBondContact O-N 3.46Å; L382-I390 VanDerWaalsContact O-N 3.11Å
383C98.3Very high98.5Very high2 Ų217.3 Ų17.31%0.01411%0.106CC..EExtended strand (participates in β ladder)trans-77.3160.1161.360.20000110.1C92 M293 P297C92-C383 WeakPolarHBondContact CB-O 3.24Å; M293-C383 HydrophobicContact SD-CB 3.98Å; P297-C383 HydrophobicContact CG-CB 4.04Å
384I98.8Very high98.6Very high0 Ų014.4 Ų14.40%09%0.089CC..EExtended strand (participates in β ladder)trans-142.6127.6-175-51.4175.8000108.6M90 I91 M293 G387 M388 I390M90-I384 HydrophobicContact CE-CD1 3.64Å; M90-I384 HydrophobicContact CG-CD1 3.97Å; M90-I384 HydrophobicContact CG-CG2 4.47Å; M90-I384 WeakPolarHBondContact O-CG2 3.44Å; M90-I384 HydrophobicContact SD-CD1 3.86Å; I91-I384 HydrophobicContact CB-CG2 3.87Å; I91-I384 HydrophobicContact CG1-CG2 4.29Å; M293-I384 WeakPolarHBondContact CB-O 3.3Å; I384-G387 PolarHBondContact O-N 3.4Å; I384-M388 HydrophobicContact CB-CB 3.89Å; I384-M388 WeakPolarHBondContact CB-O 3.34Å; I384-M388 HydrophobicContact CD1-CB 4.02Å; I384-M388 HydrophobicContact CG1-CB 4.4Å; I384-M388 HydrophobicContact CG2-CB 4.33Å; I384-M388 HydrophobicContact CG2-CE 3.99Å; I384-M388 PolarHBondContact N-O 2.93Å; I384-M388 PolarHBondContact O-N 2.78Å; I384-M388 VanDerWaalsContact O-N 3.11Å; I384-I390 HydrophobicContact CD1-CB 4.14Å; I384-I390 HydrophobicContact CD1-CG2 3.89Å; I384-I390 HydrophobicContact CG1-CG2 4.46Å
385G97.9Very high98.6Very high2 Ų214.8 Ų14.82%0.0218%0.079CC..THydrogen-bonded Turntrans-50.3148.9174.800000112.4I91 G387I91-G385 WeakPolarHBondContact CD1-O 3.45Å; G385-G387 PolarHBondContact O-N 3.25Å
386G97.8Very high98.5Very high24 Ų2417.8 Ų17.825%0.2479%0.087CC..THydrogen-bonded Turntrans77.54.2-172.300000114.8P290P290-G386 WeakPolarHBondContact CG-O 3.5Å
387G98.3Very high97.3Very high3 Ų319.4 Ų19.43%0.03112%0.123CC..THydrogen-bonded Turntrans92.654.4169.100000114.3G287 V288 I384 G385G287-G387 CarbonylContact C-O 3.45Å; G287-G387 WeakPolarHBondContact CA-O 3.37Å; V288-G387 PolarHBondContact N-O 3.21Å; V288-G387 CarbonylContact O-C 3.55Å; V288-G387 WeakPolarHBondContact O-CA 3.4Å; I384-G387 PolarHBondContact O-N 3.4Å; G385-G387 PolarHBondContact O-N 3.25Å
388M98.9Very high97.2Very high65 Ų6516.7 Ų16.732%0.3212%0.116SC..EExtended strand (participates in β ladder)trans-134166172.7-66.5179.3-72.900112.3M90 V286 I384M90-M388 HydrophobicContact CE-CB 4.23Å; M90-M388 HydrophobicContact CE-CE 4.15Å; M90-M388 HydrophobicContact CE-CG 4.49Å; M90-M388 HydrophobicContact CE-SD 3.53Å; M90-M388 VanDerWaalsContact CE-SD 3.53Å; M90-M388 HydrophobicContact CG-CE 4.17Å; V286-M388 CarbonylContact O-C 3.49Å; V286-M388 WeakPolarHBondContact O-CA 3.39Å; V286-M388 VanDerWaalsContact O-CB 3.31Å; V286-M388 WeakPolarHBondContact O-CB 3.49Å; I384-M388 HydrophobicContact CB-CB 3.89Å; I384-M388 WeakPolarHBondContact CB-O 3.34Å; I384-M388 HydrophobicContact CD1-CB 4.02Å; I384-M388 HydrophobicContact CG1-CB 4.4Å; I384-M388 HydrophobicContact CG2-CB 4.33Å; I384-M388 HydrophobicContact CG2-CE 3.99Å; I384-M388 PolarHBondContact N-O 2.93Å; I384-M388 PolarHBondContact O-N 2.78Å; I384-M388 VanDerWaalsContact O-N 3.11Å
389G98.8Very high97.1Very high0 Ų017.5 Ų17.50%012%0.122CC..EExtended strand (participates in β ladder)trans-140.5150.8170.100000111.4Q285 V286 L382Q285-G389 CarbonylContact C-O 3.57Å; Q285-G389 WeakPolarHBondContact CA-O 3.46Å; V286-G389 PolarHBondContact N-O 3.36Å; V286-G389 PolarHBondContact O-N 3.48Å; L382-G389 WeakPolarHBondContact O-CA 3.34Å
390I98.9Very high97Very high1 Ų118.5 Ų18.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-134.7141.8175.8-172.2167.9000109.7L96 K97 S284 A381 L382 I384L96-I390 HydrophobicContact CB-CD1 4.23Å; L96-I390 HydrophobicContact CB-CG2 4.49Å; L96-I390 HydrophobicContact CD2-CG1 4.16Å; L96-I390 HydrophobicContact CD2-CG2 4.12Å; L96-I390 HydrophobicContact CG-CD1 4.25Å; L96-I390 HydrophobicContact CG-CG1 4.41Å; K97-I390 HydrophobicContact CB-CD1 3.85Å; K97-I390 HydrophobicContact CD-CD1 4.32Å; S284-I390 WeakPolarHBondContact O-CA 3.34Å; S284-I390 WeakPolarHBondContact O-CG1 3.03Å; A381-I390 VanDerWaalsContact CA-O 3.25Å; A381-I390 WeakPolarHBondContact CA-O 3.37Å; L382-I390 HydrophobicContact CB-CG2 4.25Å; L382-I390 HydrophobicContact CD1-CG2 4.07Å; L382-I390 PolarHBondContact N-O 3.26Å; L382-I390 PolarHBondContact O-N 3.46Å; L382-I390 VanDerWaalsContact O-N 3.11Å; I384-I390 HydrophobicContact CD1-CB 4.14Å; I384-I390 HydrophobicContact CD1-CG2 3.89Å; I384-I390 HydrophobicContact CG1-CG2 4.46Å
391A98.9Very high96.9Very high0 Ų019.6 Ų19.60%014%0.136CC..EExtended strand (participates in β ladder)trans-143.5149.4174.400000111.6W283 S284 A300 I301 A304 A380 A381W283-A391 CarbonylContact C-O 3.6Å; W283-A391 WeakPolarHBondContact CA-O 3.44Å; W283-A391 WeakPolarHBondContact CB-O 3.46Å; S284-A391 PolarHBondContact N-O 3.09Å; S284-A391 PolarHBondContact O-N 3.28Å; S284-A391 VanDerWaalsContact O-N 3.11Å; A300-A391 HydrophobicContact CB-CB 3.86Å; I301-A391 HydrophobicContact CG1-CB 4.14Å; A304-A391 HydrophobicContact CB-CB 4.02Å; A380-A391 CarbonylContact O-C 3.6Å; A380-A391 VanDerWaalsContact O-CA 3.23Å; A380-A391 WeakPolarHBondContact O-CA 3.28Å; A381-A391 HydrophobicContact CB-CB 3.88Å
392M98.9Very high96.8Very high0 Ų020.8 Ų20.80%014%0.144CC..EExtended strand (participates in β ladder)trans-133.1131.3175.4-178.3174-68.500110.3L96 V99 C100 I280 W283 L363 V379 A380 V394L96-M392 HydrophobicContact CD1-CB 4.07Å; L96-M392 HydrophobicContact CD1-CE 4.04Å; L96-M392 HydrophobicContact CD1-SD 4.16Å; L96-M392 HydrophobicContact CD2-CB 4.28Å; L96-M392 HydrophobicContact CG-CB 4.48Å; V99-M392 HydrophobicContact CB-CE 3.9Å; V99-M392 HydrophobicContact CG1-CE 3.65Å; V99-M392 HydrophobicContact CG1-SD 3.98Å; C100-M392 WeakPolarHBondContact SG-CE 3.27Å; I280-M392 HydrophobicContact CD1-CE 4.36Å; I280-M392 HydrophobicContact CD1-SD 4.09Å; I280-M392 HydrophobicContact CG1-SD 4.13Å; I280-M392 HydrophobicContact CG2-CE 4.42Å; I280-M392 HydrophobicContact CG2-CG 4.19Å; I280-M392 HydrophobicContact CG2-SD 4.13Å; W283-M392 HydrophobicContact CB-CB 4.48Å; L363-M392 HydrophobicContact CD1-SD 4.36Å; L363-M392 HydrophobicContact CD2-SD 4.04Å; V379-M392 WeakPolarHBondContact CA-O 3.08Å; A380-M392 PolarHBondContact N-O 2.65Å; A380-M392 PolarHBondContact O-N 3.13Å; M392-V394 HydrophobicContact CG-CG1 4.07Å; M392-V394 HydrophobicContact SD-CG1 4.17Å
393C98.9Very high96.7Very high0 Ų022.2 Ų22.20%015%0.154CC..EExtended strand (participates in β ladder)trans-97.5127.6171.4-65.90000109.3V281 S282 A304 A308 W310 G378V281-C393 HydrophobicContact CB-CB 4.33Å; V281-C393 PolarHBondContact N-O 2.93Å; S282-C393 PolarHBondContact N-O 2.79Å; S282-C393 PolarHBondContact O-N 2.86Å; S282-C393 WeakPolarHBondContact OG-CB 3.25Å; S282-C393 PolarHBondContact OG-SG 3.12Å; A304-C393 VanDerWaalsContact C-SG 3.59Å; A308-C393 HydrophobicContact CB-CB 4.22Å; W310-C393 HydrophobicContact CE3-CB 4.25Å; W310-C393 HydrophobicContact CH2-CB 4.06Å; W310-C393 HydrophobicContact CZ3-CB 3.67Å; G378-C393 WeakPolarHBondContact O-CA 3.41Å
394V98.9Very high96.5Very high0 Ų023.6 Ų23.60%016%0.164CC..EExtended strand (participates in β ladder)trans-124.3149.2175.9-63.20000110.5A278 Q279 I280 W310 L363 L366 L367 L370 G378 M392A278-V394 HydrophobicContact CB-CB 4.03Å; Q279-V394 CarbonylContact O-C 3.55Å; Q279-V394 VanDerWaalsContact O-CA 3.24Å; Q279-V394 WeakPolarHBondContact O-CA 3.35Å; I280-V394 HydrophobicContact CG1-CG1 4.5Å; W310-V394 WeakPolarHBondContact CH2-O 3.44Å; L363-V394 HydrophobicContact CD1-CG1 4Å; L366-V394 HydrophobicContact CD2-CG2 3.81Å; L366-V394 HydrophobicContact CG-CG2 4.37Å; L367-V394 HydrophobicContact CD2-CG2 4.27Å; L370-V394 HydrophobicContact CD1-CG2 3.97Å; G378-V394 PolarHBondContact N-O 3.1Å; G378-V394 PolarHBondContact O-N 2.94Å; M392-V394 HydrophobicContact CG-CG1 4.07Å; M392-V394 HydrophobicContact SD-CG1 4.17Å
395Q98.6Very high96.4Very high50 Ų5025.5 Ų25.523%0.23418%0.177CC..EExtended strand (participates in β ladder)trans-129.9125.4177.4-177.8176.5-29.500110.3A278 Q279 V281 W310 I376 R377A278-Q395 CarbonylContact C-O 3.51Å; A278-Q395 VanDerWaalsContact CA-O 3.28Å; A278-Q395 WeakPolarHBondContact CA-O 3.37Å; A278-Q395 WeakPolarHBondContact CB-O 3.46Å; Q279-Q395 HydrophobicContact CG-CB 3.86Å; Q279-Q395 WeakPolarHBondContact CG-O 3.31Å; Q279-Q395 PolarHBondContact N-O 3.49Å; Q279-Q395 PolarHBondContact O-N 3.46Å; V281-Q395 HydrophobicContact CG2-CB 3.61Å; W310-Q395 HydrophobicContact CH2-CB 4.15Å; W310-Q395 HydrophobicContact CZ2-CB 4.09Å; I376-Q395 HydrophobicContact CG2-CG 3.87Å; I376-Q395 CarbonylContact O-C 3.5Å; I376-Q395 VanDerWaalsContact O-CA 3.22Å; I376-Q395 WeakPolarHBondContact O-CA 3.44Å; R377-Q395 HydrophobicContact CG-CG 4.42Å
396R95.6Very high96.2Very high73 Ų7327.4 Ų27.428%0.27519%0.19SC..  trans-75.9137.8169.8-166.1-176.687.7-119.2-17.1109.2L277 L370 G374 G375 I376L277-R396 WeakPolarHBondContact O-CG 3.47Å; L370-R396 PolarHBondContact O-NH1 2.86Å; G374-R396 PolarHBondContact O-NH1 3.43Å; G374-R396 VanDerWaalsContact O-NH1 3.11Å; G374-R396 PolarHBondContact O-NH2 2.66Å; G375-R396 VanDerWaalsContact N-NH1 3.19Å; G375-R396 VanDerWaalsContact O-CZ 3.32Å; G375-R396 PolarHBondContact O-NH1 3.16Å; I376-R396 PolarHBondContact O-N 2.72Å
397G72.1Confident96.1Very high113 Ų11327.7 Ų27.7100%1.16519%0.185SC*.  trans140.30178.600000111.8

Retrieved 397 of 397 residues in 118.9 ms (Link to these results)

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