A0A077ZF63_TRITR Loading...

Phenylalanine--tRNA ligase beta subunit

AlphaFold DB , UniProt , Accession A0A077ZF63, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 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
1M29.1Very low72.6Confident207 Ų207122.1 Ų122.1100%1.0259%0.586SS**  096.10-150.5173-147.100105.9F3M1-F3 HydrophobicContact CB-CE2 4.34Å; M1-F3 HydrophobicContact CG-CE2 4.29Å; M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-F3 HydrophobicContact SD-CE2 4.02Å; M1-F3 HydrophobicContact SD-CZ 4.08Å
2Y37.5Very low74.2Confident220 Ų220124.4 Ų124.486%0.86358%0.584SS**  trans-72.299.9173.1-72.5-87.9000105.7F4Y2-F4 PolarHBondContact O-N 3.47Å; Y2-F4 VanDerWaalsContact O-N 3.08Å
3F47.4Very low75.5Confident175 Ų175118.2 Ų118.277%0.76856%0.557SS**  trans-66.8105.4169.8-83.8-90.3000106.3M1 L5M1-F3 HydrophobicContact CB-CE2 4.34Å; M1-F3 HydrophobicContact CG-CE2 4.29Å; M1-F3 PolarHBondContact O-N 3.01Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-F3 HydrophobicContact SD-CE2 4.02Å; M1-F3 HydrophobicContact SD-CZ 4.08Å; F3-L5 PolarHBondContact O-N 3.45Å
4F66.5Low76.8Confident194 Ų194109.9 Ų109.985%0.85152%0.518SS*.PPolyproline II helixtrans-63.3122.3164.5-73.4-87.1000106.7Y2Y2-F4 PolarHBondContact O-N 3.47Å; Y2-F4 VanDerWaalsContact O-N 3.08Å
5L78.3Confident77.9Confident88 Ų88111.7 Ų111.746%0.46152%0.523SS..PPolyproline II helixtrans-64.2141.7169.4-71.1168.8000107.7F3 E9 V10 L13F3-L5 PolarHBondContact O-N 3.45Å; L5-E9 WeakPolarHBondContact CA-OE2 3.48Å; L5-E9 HydrophobicContact CB-CB 4.22Å; L5-E9 HydrophobicContact CD2-CB 4.14Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.43Å; L5-V10 HydrophobicContact CB-CG2 3.79Å; L5-V10 HydrophobicContact CD1-CG2 4.4Å; L5-L13 HydrophobicContact CD1-CD1 4.22Å
6A87.4Confident78.8Confident55 Ų55113.1 Ų113.146%0.45552%0.522SS..PPolyproline II helixtrans-67.1153.2169.700000109.9E8 E9 V10A6-E8 PolarHBondContact O-N 3.25Å; A6-E8 VanDerWaalsContact O-N 3.16Å; A6-E9 HydrophobicContact CB-CG 4.22Å; A6-E9 PolarHBondContact N-OE2 3.33Å; A6-E9 VanDerWaalsContact N-OE2 3.11Å; A6-E9 WeakPolarHBondContact O-CA 3.33Å; A6-E9 WeakPolarHBondContact O-CB 3.3Å; A6-E9 PolarHBondContact O-N 3.26Å; A6-V10 PolarHBondContact O-N 3.31Å
7D88.8Confident79.7Confident85 Ų85107.1 Ų107.146%0.45549%0.494SS..Hα-helixtrans-53.7-40.1-179-59-6.8000111.9E9 V10 D11 I24 Y42D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 3.23Å; D7-V10 WeakPolarHBondContact O-CB 3.4Å; D7-V10 PolarHBondContact O-N 3Å; D7-D11 PolarHBondContact O-N 2.88Å; D7-I24 HydrophobicContact CB-CD1 3.82Å; D7-Y42 PolarHBondContact OD1-OH 3.16Å
8E89.7Confident80.3Confident128 Ų128103.9 Ų103.960%0.59850%0.495SS*.Hα-helixtrans-63.1-32.8174.1-69.7-171.4-166.600113.7A6 R12A6-E8 PolarHBondContact O-N 3.25Å; A6-E8 VanDerWaalsContact O-N 3.16Å; E8-R12 WeakPolarHBondContact O-CB 3.49Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.44Å; E8-R12 IonicContact OE2-CZ 3.21Å; E8-R12 IonicContact OE2-NH2 3.63Å; E8-R12 PolarHBondContact OE2-NH2 3.04Å
9E90.6Very high81.1Confident96 Ų9698.7 Ų98.745%0.44947%0.471SS..Hα-helixtrans-74.4-35.9177.5-64-179.2142.900110.9L5 A6 D7 L13L5-E9 WeakPolarHBondContact CA-OE2 3.48Å; L5-E9 HydrophobicContact CB-CB 4.22Å; L5-E9 HydrophobicContact CD2-CB 4.14Å; L5-E9 WeakPolarHBondContact CD2-OE2 3.43Å; A6-E9 HydrophobicContact CB-CG 4.22Å; A6-E9 PolarHBondContact N-OE2 3.33Å; A6-E9 VanDerWaalsContact N-OE2 3.11Å; A6-E9 WeakPolarHBondContact O-CA 3.33Å; A6-E9 WeakPolarHBondContact O-CB 3.3Å; A6-E9 PolarHBondContact O-N 3.26Å; D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 3.23Å; E9-L13 VanDerWaalsContact O-CB 3.22Å; E9-L13 WeakPolarHBondContact O-CB 3.32Å; E9-L13 PolarHBondContact O-N 3.12Å
10V90.3Very high81.7Confident27 Ų2799.8 Ų99.816%0.16448%0.475CS..Hα-helixtrans-62.5-49.5172.8177.70000109.8L5 A6 D7 R12 L13 L14 Y42L5-V10 HydrophobicContact CB-CG2 3.79Å; L5-V10 HydrophobicContact CD1-CG2 4.4Å; A6-V10 PolarHBondContact O-N 3.31Å; D7-V10 WeakPolarHBondContact O-CB 3.4Å; D7-V10 PolarHBondContact O-N 3Å; V10-R12 PolarHBondContact O-N 3.1Å; V10-L13 WeakPolarHBondContact O-CB 3.36Å; V10-L13 PolarHBondContact O-N 3.38Å; V10-L13 VanDerWaalsContact O-N 3.12Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.36Å; V10-L14 PolarHBondContact O-N 3.43Å; V10-Y42 HydrophobicContact CG1-CD1 4.48Å; V10-Y42 HydrophobicContact CG1-CE1 4.39Å
11D92.6Very high82.3Confident68 Ų6896.1 Ų96.136%0.36446%0.458SS..Hα-helixtrans-57.7-49.7177.5179.447.1000111.9D7 L13 L14 F15 L21D7-D11 PolarHBondContact O-N 2.88Å; D11-L13 VanDerWaalsContact C-N 3.25Å; D11-L13 PolarHBondContact O-N 3.17Å; D11-L14 PolarHBondContact O-N 2.89Å; D11-F15 WeakPolarHBondContact O-CB 3.49Å; D11-F15 PolarHBondContact O-N 2.96Å; D11-L21 HydrophobicContact CB-CD2 4.36Å
12R91.8Very high85.3Confident150 Ų15090.7 Ų90.757%0.56643%0.433SS*.Hα-helixtrans-60.4-34.3176-71.4177.1-145.6178.97.1113.1E8 V10 R16E8-R12 WeakPolarHBondContact O-CB 3.49Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.44Å; E8-R12 IonicContact OE2-CZ 3.21Å; E8-R12 IonicContact OE2-NH2 3.63Å; E8-R12 PolarHBondContact OE2-NH2 3.04Å; V10-R12 PolarHBondContact O-N 3.1Å; R12-R16 VanDerWaalsContact O-CG 3.31Å; R12-R16 WeakPolarHBondContact O-CG 3.34Å; R12-R16 PolarHBondContact O-N 2.82Å
13L91.7Very high87.9Confident43 Ų4384 Ų8423%0.22541%0.41CS..Hα-helixtrans-69.1-46.3177.7-174.5157000110.2L5 E9 V10 D11 R16 F17 L63 F67L5-L13 HydrophobicContact CD1-CD1 4.22Å; E9-L13 VanDerWaalsContact O-CB 3.22Å; E9-L13 WeakPolarHBondContact O-CB 3.32Å; E9-L13 PolarHBondContact O-N 3.12Å; V10-L13 WeakPolarHBondContact O-CB 3.36Å; V10-L13 PolarHBondContact O-N 3.38Å; V10-L13 VanDerWaalsContact O-N 3.12Å; D11-L13 VanDerWaalsContact C-N 3.25Å; D11-L13 PolarHBondContact O-N 3.17Å; L13-R16 PolarHBondContact O-N 2.94Å; L13-F17 PolarHBondContact O-N 3.44Å; L13-L63 HydrophobicContact CD2-CD1 4.4Å; L13-L63 HydrophobicContact CD2-CD2 3.94Å; L13-F67 HydrophobicContact CB-CZ 4.39Å; L13-F67 HydrophobicContact CD1-CD2 4.15Å; L13-F67 HydrophobicContact CD1-CE2 4.27Å; L13-F67 HydrophobicContact CD1-CG 4.34Å; L13-F67 HydrophobicContact CD2-CD2 3.6Å; L13-F67 HydrophobicContact CD2-CE2 3.14Å; L13-F67 HydrophobicContact CD2-CZ 3.72Å; L13-F67 HydrophobicContact CG-CD1 4.32Å; L13-F67 HydrophobicContact CG-CD2 3.8Å; L13-F67 HydrophobicContact CG-CE1 3.96Å; L13-F67 HydrophobicContact CG-CE2 3.42Å; L13-F67 VanDerWaalsContact CG-CE2 3.42Å; L13-F67 HydrophobicContact CG-CG 4.26Å; L13-F67 HydrophobicContact CG-CZ 3.51Å; L13-F67 WeakPolarHBondContact O-CZ 3.45Å
14L93.8Very high89.9Confident3 Ų378.9 Ų78.92%0.01639%0.39CS..Hα-helixtrans-60.8-48176.4-69.4172.8000111V10 D11 R16 F17 G18 L19 L21 I44 L63V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.36Å; V10-L14 PolarHBondContact O-N 3.43Å; D11-L14 PolarHBondContact O-N 2.89Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 PolarHBondContact O-N 3.31Å; L14-F17 CarbonylContact O-C 3.52Å; L14-F17 WeakPolarHBondContact O-CA 3.23Å; L14-F17 PolarHBondContact O-N 2.94Å; L14-G18 PolarHBondContact O-N 3.4Å; L14-G18 VanDerWaalsContact O-N 3.11Å; L14-L19 CarbonylContact C-O 3.49Å; L14-L19 HydrophobicContact CB-CB 3.95Å; L14-L19 HydrophobicContact CD2-CB 4.02Å; L14-L19 HydrophobicContact CD2-CD1 3.78Å; L14-L19 PolarHBondContact O-N 2.89Å; L14-L21 HydrophobicContact CD1-CB 3.88Å; L14-L21 HydrophobicContact CD1-CD1 4.38Å; L14-I44 HydrophobicContact CD1-CD1 4.05Å; L14-I44 HydrophobicContact CD1-CG1 4Å; L14-I44 HydrophobicContact CD1-CG2 4.29Å; L14-I44 HydrophobicContact CD2-CD1 4.18Å; L14-I44 HydrophobicContact CD2-CG2 4.16Å; L14-L63 HydrophobicContact CD2-CD1 4.23Å
15F93.7Very high90.9Very high136 Ų13672 Ų7260%0.59636%0.364SS*.Hα-helixtrans-57.7-39.1178.2-173.1-93.1000112.5D11 F17 G18 L19D11-F15 WeakPolarHBondContact O-CB 3.49Å; D11-F15 PolarHBondContact O-N 2.96Å; F15-F17 PolarHBondContact O-N 3.39Å; F15-G18 PolarHBondContact O-N 3.22Å; F15-G18 VanDerWaalsContact O-N 3.11Å; F15-L19 WeakPolarHBondContact CA-O 3.37Å; F15-L19 PolarHBondContact N-O 3.2Å
16R91.6Very high90.9Very high134 Ų13471.4 Ų71.451%0.50636%0.364SS..Hα-helixtrans-66.4-21.2177-79.8-175.169.1-172.5-1.2114.2R12 L13 L14 F66 F67R12-R16 VanDerWaalsContact O-CG 3.31Å; R12-R16 WeakPolarHBondContact O-CG 3.34Å; R12-R16 PolarHBondContact O-N 2.82Å; L13-R16 PolarHBondContact O-N 2.94Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-R16 PolarHBondContact O-N 3.31Å; R16-F66 WeakPolarHBondContact O-CZ 3.5Å; R16-F67 HydrophobicContact CB-CE1 4.39Å; R16-F67 HydrophobicContact CB-CZ 4.14Å
17F94Very high89.9Confident12 Ų1271.8 Ų71.85%0.05336%0.358CS..Hα-helixtrans-96.6-6.3175.1-170.7-116000112.5L13 L14 F15 L19 L53 A62 L63 F66 F67 M313L13-F17 PolarHBondContact O-N 3.44Å; L14-F17 CarbonylContact O-C 3.52Å; L14-F17 WeakPolarHBondContact O-CA 3.23Å; L14-F17 PolarHBondContact O-N 2.94Å; F15-F17 PolarHBondContact O-N 3.39Å; F17-L19 HydrophobicContact CD1-CD1 3.72Å; F17-L19 HydrophobicContact CD1-CG 3.84Å; F17-L19 HydrophobicContact CE1-CD1 4.31Å; F17-L53 HydrophobicContact CE1-CD1 4.03Å; F17-L53 HydrophobicContact CE1-CD2 4.34Å; F17-A62 HydrophobicContact CE1-CB 4.13Å; F17-A62 HydrophobicContact CZ-CB 3.89Å; F17-L63 HydrophobicContact CB-CD2 4.15Å; F17-L63 HydrophobicContact CD1-CD2 3.75Å; F17-L63 HydrophobicContact CE1-CD2 4.4Å; F17-L63 HydrophobicContact CG-CD2 3.98Å; F17-F66 HydrophobicContact CB-CE1 4.47Å; F17-F66 HydrophobicContact CD2-CB 3.89Å; F17-F66 AromaticContact CD2-CD1 3.91Å; F17-F66 HydrophobicContact CD2-CD1 3.91Å; F17-F66 AromaticContact CD2-CD2 3.48Å; F17-F66 HydrophobicContact CD2-CD2 3.48Å; F17-F66 VanDerWaalsContact CD2-CD2 3.48Å; F17-F66 HydrophobicContact CD2-CE1 4.2Å; F17-F66 AromaticContact CD2-CE2 3.8Å; F17-F66 HydrophobicContact CD2-CE2 3.8Å; F17-F66 AromaticContact CD2-CG 3.5Å; F17-F66 HydrophobicContact CD2-CG 3.5Å; F17-F66 VanDerWaalsContact CD2-CG 3.5Å; F17-F66 HydrophobicContact CD2-CZ 4.14Å; F17-F66 HydrophobicContact CE2-CB 3.94Å; F17-F66 AromaticContact CE2-CD2 3.69Å; F17-F66 HydrophobicContact CE2-CD2 3.69Å; F17-F66 HydrophobicContact CE2-CE2 4.28Å; F17-F66 AromaticContact CE2-CG 3.91Å; F17-F66 HydrophobicContact CE2-CG 3.91Å; F17-F67 HydrophobicContact CB-CE2 4.31Å; F17-F67 HydrophobicContact CB-CZ 4.47Å; F17-M313 HydrophobicContact CD2-SD 4.35Å; F17-M313 HydrophobicContact CE2-CE 3.88Å; F17-M313 HydrophobicContact CE2-SD 3.79Å; F17-M313 HydrophobicContact CZ-CE 4.36Å
18G91.4Very high88.4Confident49 Ų4972.3 Ų72.351%0.50536%0.361SS..THydrogen-bonded Turntrans87.524.9-176.300000114L14 F15L14-G18 PolarHBondContact O-N 3.4Å; L14-G18 VanDerWaalsContact O-N 3.11Å; F15-G18 PolarHBondContact O-N 3.22Å; F15-G18 VanDerWaalsContact O-N 3.11Å
19L94.6Very high86.6Confident6 Ų670 Ų703%0.03136%0.359CS..  trans-109.9157.9173.4-58.2179.8000110.3L14 F15 F17 I44 V46 P47 L53 L59 L63L14-L19 CarbonylContact C-O 3.49Å; L14-L19 HydrophobicContact CB-CB 3.95Å; L14-L19 HydrophobicContact CD2-CB 4.02Å; L14-L19 HydrophobicContact CD2-CD1 3.78Å; L14-L19 PolarHBondContact O-N 2.89Å; F15-L19 WeakPolarHBondContact CA-O 3.37Å; F15-L19 PolarHBondContact N-O 3.2Å; F17-L19 HydrophobicContact CD1-CD1 3.72Å; F17-L19 HydrophobicContact CD1-CG 3.84Å; F17-L19 HydrophobicContact CE1-CD1 4.31Å; L19-I44 HydrophobicContact CB-CG2 4.17Å; L19-I44 HydrophobicContact CD1-CG2 4.21Å; L19-V46 HydrophobicContact CD2-CG2 4.36Å; L19-P47 VanDerWaalsContact CD2-CD 3.46Å; L19-P47 HydrophobicContact CD2-CG 4.37Å; L19-L53 HydrophobicContact CD2-CD1 4.27Å; L19-L59 HydrophobicContact CD1-CD1 3.36Å; L19-L63 HydrophobicContact CD1-CD2 4.45Å
20E93.3Very high84.6Confident119 Ų11967.7 Ų67.756%0.55635%0.351SS*.EExtended strand (participates in β ladder)trans-121.7135.3177.9-177.2167-178.600109.7I44 E45E20-I44 WeakPolarHBondContact O-CA 3.28Å; E20-E45 HydrophobicContact CB-CB 4.41Å; E20-E45 PolarHBondContact O-N 2.96Å
21L93.7Very high82.4Confident24 Ų2471.4 Ų71.413%0.12637%0.365CS..EExtended strand (participates in β ladder)trans-88104169.2-178.661000108.3D11 L14 I24 Y42 I44D11-L21 HydrophobicContact CB-CD2 4.36Å; L14-L21 HydrophobicContact CD1-CB 3.88Å; L14-L21 HydrophobicContact CD1-CD1 4.38Å; L21-I24 HydrophobicContact CD1-CG1 4.44Å; L21-I24 HydrophobicContact CD2-CD1 4.02Å; L21-I24 HydrophobicContact CD2-CG1 4.01Å; L21-I24 HydrophobicContact CG-CG1 4.42Å; L21-Y42 HydrophobicContact CD1-CD1 3.7Å; L21-Y42 HydrophobicContact CD1-CG 4.34Å; L21-Y42 HydrophobicContact CD2-CD1 4.03Å; L21-Y42 HydrophobicContact CD2-CE1 4.36Å; L21-I44 HydrophobicContact CD1-CG1 4.16Å
22D92.8Very high80.1Confident93 Ų9376.8 Ų76.850%0.49739%0.388SS..EExtended strand (participates in β ladder)trans-74.7-56.6-175.6178.935.4000111.1K43 E45D22-K43 PolarHBondContact N-O 3.35Å; D22-E45 HydrophobicContact CB-CG 4.16Å
23E91.3Very high78Confident80 Ų8075.6 Ų75.637%0.37439%0.389SS..EExtended strand (participates in β ladder)trans-148.2154177.959.9176-17300113.3V25 K43E23-V25 HydrophobicContact CB-CG2 4.34Å; E23-V25 HydrophobicContact CG-CG2 3.77Å; E23-K43 HydrophobicContact CG-CB 3.76Å; E23-K43 HydrophobicContact CG-CD 3.69Å; E23-K43 HydrophobicContact CG-CG 3.85Å; E23-K43 PolarHBondContact O-N 2.73Å; E23-K43 WeakPolarHBondContact OE1-CD 3.43Å; E23-K43 WeakPolarHBondContact OE1-CE 3.46Å; E23-K43 IonicContact OE1-NZ 2.7Å; E23-K43 PolarHBondContact OE1-NZ 3.48Å
24I89.4Confident75.7Confident67 Ų6778.3 Ų78.334%0.34440%0.404SS..EExtended strand (participates in β ladder)trans-111.1116.1170.2-55.3176.6000106.8D7 L21 V40 Y42D7-I24 HydrophobicContact CB-CD1 3.82Å; L21-I24 HydrophobicContact CD1-CG1 4.44Å; L21-I24 HydrophobicContact CD2-CD1 4.02Å; L21-I24 HydrophobicContact CD2-CG1 4.01Å; L21-I24 HydrophobicContact CG-CG1 4.42Å; I24-V40 HydrophobicContact CG2-CG1 3.35Å; I24-Y42 HydrophobicContact CD1-CD1 4.17Å; I24-Y42 HydrophobicContact CD1-CE1 3.77Å; I24-Y42 HydrophobicContact CG1-CD1 3.89Å; I24-Y42 HydrophobicContact CG1-CE1 3.99Å
25V87.6Confident73.3Confident50 Ų5088 Ų8830%0.30345%0.449SS..EExtended strand (participates in β ladder)trans-117.6135.7-176.4-169.30000109.2E23 V41E23-V25 HydrophobicContact CB-CG2 4.34Å; E23-V25 HydrophobicContact CG-CG2 3.77Å; V25-V41 PolarHBondContact N-O 3.09Å; V25-V41 PolarHBondContact O-N 3.32Å
26T78.6Confident70.8Confident75 Ų7589.3 Ų89.346%0.4646%0.459SS..EExtended strand (participates in β ladder)trans-84.6115.7165.1430000108.6D28 D38 V40T26-D28 PolarHBondContact O-N 2.77Å; T26-D38 HydrophobicContact CG2-CB 4.13Å; T26-V40 HydrophobicContact CG2-CG2 4.34Å
27D65.9Low68.7Low62 Ų6287.1 Ų87.133%0.33247%0.47SS..EExtended strand (participates in β ladder)trans-83.898.3177.4-166.2-10.6000110.1S29 V30 A39 V41D27-S29 PolarHBondContact O-N 2.85Å; D27-S29 VanDerWaalsContact OD1-CB 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.26Å; D27-S29 PolarHBondContact OD1-N 3.3Å; D27-S29 PolarHBondContact OD1-OG 3.29Å; D27-S29 PolarHBondContact OD2-OG 3.45Å; D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 2.86Å; D27-A39 PolarHBondContact N-O 2.76Å; D27-V41 HydrophobicContact CB-CG2 3.96Å
28D57.7Low66.9Low97 Ų9790 Ų9052%0.51949%0.486SS..G310 helixtrans-63.3-19.3175.7-78.8-37.2000112.5T26 V30 K31T26-D28 PolarHBondContact O-N 2.77Å; D28-V30 VanDerWaalsContact C-N 3.26Å; D28-V30 PolarHBondContact O-N 3.12Å; D28-K31 VanDerWaalsContact O-CB 3.29Å; D28-K31 WeakPolarHBondContact O-CB 3.29Å; D28-K31 PolarHBondContact O-N 3.16Å; D28-K31 IonicContact OD1-NZ 3.36Å; D28-K31 PolarHBondContact OD1-NZ 2.96Å
29S53.1Low65.8Low80 Ų8089.2 Ų89.256%0.55947%0.474SS*.G310 helixtrans-71.8-21-18072.60000113.1D27 K31D27-S29 PolarHBondContact O-N 2.85Å; D27-S29 VanDerWaalsContact OD1-CB 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.26Å; D27-S29 PolarHBondContact OD1-N 3.3Å; D27-S29 PolarHBondContact OD1-OG 3.29Å; D27-S29 PolarHBondContact OD2-OG 3.45Å; S29-K31 PolarHBondContact O-N 2.83Å
30V48.3Very low65.2Low47 Ų4792.5 Ų92.529%0.28550%0.495SS..G310 helixtrans-72.4-20.7175-173.40000111.6D27 D28 E32 E33 N34 A39D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 2.86Å; D28-V30 VanDerWaalsContact C-N 3.26Å; D28-V30 PolarHBondContact O-N 3.12Å; V30-E32 VanDerWaalsContact C-N 3.28Å; V30-E32 PolarHBondContact O-N 3.31Å; V30-E33 PolarHBondContact O-N 3.43Å; V30-N34 PolarHBondContact O-N 3.3Å; V30-A39 HydrophobicContact CB-CB 3.91Å; V30-A39 HydrophobicContact CG1-CB 3.9Å; V30-A39 HydrophobicContact CG2-CB 3.89Å
31K43.7Very low64.9Low104 Ų10489.7 Ų89.745%0.45249%0.485SS..G310 helixtrans-61.6-30.8176.9-76.4177.6159.1120.10113.6D28 S29 D38D28-K31 VanDerWaalsContact O-CB 3.29Å; D28-K31 WeakPolarHBondContact O-CB 3.29Å; D28-K31 PolarHBondContact O-N 3.16Å; D28-K31 IonicContact OD1-NZ 3.36Å; D28-K31 PolarHBondContact OD1-NZ 2.96Å; S29-K31 PolarHBondContact O-N 2.83Å; K31-D38 WeakPolarHBondContact CE-OD1 3.42Å; K31-D38 IonicContact NZ-OD1 2.84Å; K31-D38 PolarHBondContact NZ-OD1 3.04Å; K31-D38 IonicContact NZ-OD2 2.84Å; K31-D38 PolarHBondContact NZ-OD2 3.08Å
32E44.5Very low64.7Low182 Ų18292.6 Ų92.685%0.8550%0.495SS*.G310 helixtrans-77.4-22.5-174.8-74.3-167.8163.800113.3V30V30-E32 VanDerWaalsContact C-N 3.28Å; V30-E32 PolarHBondContact O-N 3.31Å
33E47.6Very low64.7Low125 Ų12592.7 Ų92.758%0.58449%0.491SS*.THydrogen-bonded Turntrans-105.2-26.6-175.3-73-165.5164.300115.1V30 R110V30-E33 PolarHBondContact O-N 3.43Å; E33-R110 IonicContact OE1-NH2 3.55Å; E33-R110 PolarHBondContact OE1-NH2 2.88Å; E33-R110 IonicContact OE2-CZ 2.84Å; E33-R110 IonicContact OE2-NH1 2.59Å; E33-R110 PolarHBondContact OE2-NH1 3.09Å; E33-R110 IonicContact OE2-NH2 3.5Å; E33-R110 PolarHBondContact OE2-NH2 3.46Å
34N43.2Very low64.9Low99 Ų9991.2 Ų91.253%0.52949%0.485SS..  trans-129.8116.9176.5-72.8-42.2000108.1V30 M36V30-N34 PolarHBondContact O-N 3.3Å; N34-M36 PolarHBondContact O-N 3.32Å
35E44Very low65.1Low207 Ų20793.2 Ų93.297%0.96749%0.493SS*.SBendtrans-6432.8176.1-66.7-176.514800113.9
36M40.7Very low65.4Low163 Ų16392.9 Ų92.980%0.80349%0.491SS*.SBendtrans-134.2115.4176.7-74.7-155.6122.600111.1N34N34-M36 PolarHBondContact O-N 3.32Å
37A47.8Very low66.1Low89 Ų8991.7 Ų91.774%0.73649%0.485SS*.  trans40.8137158.200000119.4A39A37-A39 PolarHBondContact O-N 2.85Å
38D56.1Low67.3Low72 Ų7293.8 Ų93.839%0.38551%0.511SS..  trans-42.3113.5171.7-68.1-35.9000111.9T26 K31 V40T26-D38 HydrophobicContact CG2-CB 4.13Å; K31-D38 WeakPolarHBondContact CE-OD1 3.42Å; K31-D38 IonicContact NZ-OD1 2.84Å; K31-D38 PolarHBondContact NZ-OD1 3.04Å; K31-D38 IonicContact NZ-OD2 2.84Å; K31-D38 PolarHBondContact NZ-OD2 3.08Å; D38-V40 PolarHBondContact O-N 3.14Å
39A68Low68.9Low32 Ų3293 Ų9326%0.26451%0.506SS..EExtended strand (participates in β ladder)trans-74.2110.6177.100000108.2D27 V30 A37 V41D27-A39 PolarHBondContact N-O 2.76Å; V30-A39 HydrophobicContact CB-CB 3.91Å; V30-A39 HydrophobicContact CG1-CB 3.9Å; V30-A39 HydrophobicContact CG2-CB 3.89Å; A37-A39 PolarHBondContact O-N 2.85Å; A39-V41 PolarHBondContact O-N 3.18Å
40V82.3Confident70.8Confident76 Ų7690.1 Ų90.146%0.46148%0.483SS..EExtended strand (participates in β ladder)trans-75.2116.2174.7-179.20000108.4I24 T26 D38 Y42I24-V40 HydrophobicContact CG2-CG1 3.35Å; T26-V40 HydrophobicContact CG2-CG2 4.34Å; D38-V40 PolarHBondContact O-N 3.14Å; V40-Y42 HydrophobicContact CG1-CE2 4.16Å
41V86Confident72.9Confident59 Ų5988.7 Ų88.736%0.35848%0.475SS..EExtended strand (participates in β ladder)trans-105.6122.3179-178.20000109.2V25 D27 A39V25-V41 PolarHBondContact N-O 3.09Å; V25-V41 PolarHBondContact O-N 3.32Å; D27-V41 HydrophobicContact CB-CG2 3.96Å; A39-V41 PolarHBondContact O-N 3.18Å
42Y91.1Very high75.2Confident86 Ų8684 Ų8434%0.33746%0.455SS..EExtended strand (participates in β ladder)trans-88.7120.6172.9-66.5-92.4000109.7D7 V10 L21 I24 V40D7-Y42 PolarHBondContact OD1-OH 3.16Å; V10-Y42 HydrophobicContact CG1-CD1 4.48Å; V10-Y42 HydrophobicContact CG1-CE1 4.39Å; L21-Y42 HydrophobicContact CD1-CD1 3.7Å; L21-Y42 HydrophobicContact CD1-CG 4.34Å; L21-Y42 HydrophobicContact CD2-CD1 4.03Å; L21-Y42 HydrophobicContact CD2-CE1 4.36Å; I24-Y42 HydrophobicContact CD1-CD1 4.17Å; I24-Y42 HydrophobicContact CD1-CE1 3.77Å; I24-Y42 HydrophobicContact CG1-CD1 3.89Å; I24-Y42 HydrophobicContact CG1-CE1 3.99Å; V40-Y42 HydrophobicContact CG1-CE2 4.16Å
43K92.5Very high77.6Confident95 Ų9575.7 Ų75.741%0.41342%0.416SS..EExtended strand (participates in β ladder)trans-93.1110.8170.5-61.8-156.6-166.6167.10109.5D22 E23D22-K43 PolarHBondContact N-O 3.35Å; E23-K43 HydrophobicContact CG-CB 3.76Å; E23-K43 HydrophobicContact CG-CD 3.69Å; E23-K43 HydrophobicContact CG-CG 3.85Å; E23-K43 PolarHBondContact O-N 2.73Å; E23-K43 WeakPolarHBondContact OE1-CD 3.43Å; E23-K43 WeakPolarHBondContact OE1-CE 3.46Å; E23-K43 IonicContact OE1-NZ 2.7Å; E23-K43 PolarHBondContact OE1-NZ 3.48Å
44I94.7Very high79.9Confident49 Ų4970.9 Ų70.925%0.25140%0.395SS..EExtended strand (participates in β ladder)trans-108.8124.5-175.1-58.5170.9000108L14 L19 E20 L21 V46 L59L14-I44 HydrophobicContact CD1-CD1 4.05Å; L14-I44 HydrophobicContact CD1-CG1 4Å; L14-I44 HydrophobicContact CD1-CG2 4.29Å; L14-I44 HydrophobicContact CD2-CD1 4.18Å; L14-I44 HydrophobicContact CD2-CG2 4.16Å; L19-I44 HydrophobicContact CB-CG2 4.17Å; L19-I44 HydrophobicContact CD1-CG2 4.21Å; E20-I44 WeakPolarHBondContact O-CA 3.28Å; L21-I44 HydrophobicContact CD1-CG1 4.16Å; I44-V46 HydrophobicContact CG2-CG2 4.47Å; I44-L59 HydrophobicContact CD1-CD2 3.66Å
45E93.7Very high82.3Confident109 Ų10966.4 Ų66.451%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-78.7134.8170.8-79.2-160.9164.700110.7E20 D22E20-E45 HydrophobicContact CB-CB 4.41Å; E20-E45 PolarHBondContact O-N 2.96Å; D22-E45 HydrophobicContact CB-CG 4.16Å
46V93.7Very high84.6Confident43 Ų4360 Ų6026%0.26135%0.349SS..  trans-123.8136.7-174.2174.90000109.6L19 I44 A48 L53L19-V46 HydrophobicContact CD2-CG2 4.36Å; I44-V46 HydrophobicContact CG2-CG2 4.47Å; V46-A48 PolarHBondContact O-N 3.4Å; V46-L53 HydrophobicContact CG1-CB 3.38Å; V46-L53 HydrophobicContact CG1-CD1 4.07Å; V46-L53 HydrophobicContact CG1-CG 4.34Å; V46-L53 HydrophobicContact CG2-CB 4.37Å
47P93.5Very high87.1Confident50 Ų5052.7 Ų52.733%0.32531%0.313SS..  trans-54.6132.5175.8-2733.8000112.7L19 N49 R50L19-P47 VanDerWaalsContact CD2-CD 3.46Å; L19-P47 HydrophobicContact CD2-CG 4.37Å; P47-N49 WeakPolarHBondContact CB-OD1 3.48Å; P47-N49 PolarHBondContact O-N 2.94Å; P47-N49 VanDerWaalsContact O-N 3.08Å; P47-R50 HydrophobicContact CB-CB 4.43Å; P47-R50 HydrophobicContact CB-CG 4.28Å; P47-R50 PolarHBondContact O-N 2.81Å
48A91.3Very high89.2Confident106 Ų10649 Ų4988%0.87628%0.283SS*.THydrogen-bonded Turntrans-63.5-18.2-175.900000114.3V46V46-A48 PolarHBondContact O-N 3.4Å
49N91.3Very high91Very high80 Ų8046.6 Ų46.643%0.42827%0.271SS..THydrogen-bonded Turntrans-80.1-20.9173.959.7-25.5000113.2P47 C51 D336P47-N49 WeakPolarHBondContact CB-OD1 3.48Å; P47-N49 PolarHBondContact O-N 2.94Å; P47-N49 VanDerWaalsContact O-N 3.08Å; N49-C51 PolarHBondContact O-N 3.07Å; N49-D336 HydrophobicContact CB-CB 4.16Å
50R93Very high92.2Very high19 Ų1949 Ų497%0.07228%0.279CS..  trans-98.674.3-174.8-67.5-63.4-61.1-102.7-2.7112.3P47 D52 L53 R334 D336P47-R50 HydrophobicContact CB-CB 4.43Å; P47-R50 HydrophobicContact CB-CG 4.28Å; P47-R50 PolarHBondContact O-N 2.81Å; R50-D52 WeakPolarHBondContact CA-OD1 3.33Å; R50-D52 IonicContact CZ-OD1 3.03Å; R50-D52 IonicContact CZ-OD2 2.92Å; R50-D52 IonicContact NE-OD1 3.74Å; R50-D52 PolarHBondContact NE-OD1 3.26Å; R50-D52 IonicContact NE-OD2 3.49Å; R50-D52 PolarHBondContact NE-OD2 3.29Å; R50-D52 IonicContact NH2-OD1 3.02Å; R50-D52 IonicContact NH2-OD2 3.89Å; R50-D52 PolarHBondContact NH2-OD2 2.96Å; R50-D52 PolarHBondContact O-N 3.06Å; R50-L53 HydrophobicContact CB-CB 4.37Å; R50-L53 HydrophobicContact CB-CD1 3.68Å; R50-L53 HydrophobicContact CB-CG 3.94Å; R50-L53 HydrophobicContact CG-CD1 4.17Å; R50-L53 PolarHBondContact O-N 2.91Å; R50-L53 VanDerWaalsContact O-N 3.12Å; R50-R334 VanDerWaalsContact CZ-CZ 3.41Å; R50-R334 VanDerWaalsContact NH1-NH2 3.17Å; R50-R334 VanDerWaalsContact NH2-CD 3.33Å; R50-D336 VanDerWaalsContact CD-OD2 3.23Å; R50-D336 WeakPolarHBondContact CD-OD2 3.35Å
51C91.7Very high92.6Very high18 Ų1846.7 Ų46.712%0.12226%0.264CS..G310 helixtrans-62.4-24.7178.7-67.30000113.1N49 L53 L54 L123 T246N49-C51 PolarHBondContact O-N 3.07Å; C51-L53 PolarHBondContact O-N 2.53Å; C51-L54 HydrophobicContact CB-CD1 4.41Å; C51-L54 PolarHBondContact O-N 2.89Å; C51-L123 HydrophobicContact CB-CD2 4.38Å; C51-T246 HydrophobicContact CB-CG2 4.29Å
52D92.6Very high93Very high6 Ų644.5 Ų44.53%0.03225%0.252CS..G310 helixtrans-65.7-16.4175.863.6-52.8000113.8R50 G58 N333R50-D52 WeakPolarHBondContact CA-OD1 3.33Å; R50-D52 IonicContact CZ-OD1 3.03Å; R50-D52 IonicContact CZ-OD2 2.92Å; R50-D52 IonicContact NE-OD1 3.74Å; R50-D52 PolarHBondContact NE-OD1 3.26Å; R50-D52 IonicContact NE-OD2 3.49Å; R50-D52 PolarHBondContact NE-OD2 3.29Å; R50-D52 IonicContact NH2-OD1 3.02Å; R50-D52 IonicContact NH2-OD2 3.89Å; R50-D52 PolarHBondContact NH2-OD2 2.96Å; R50-D52 PolarHBondContact O-N 3.06Å; D52-G58 CarbonylContact O-C 3.59Å; D52-G58 WeakPolarHBondContact O-CA 3.34Å; D52-N333 HydrophobicContact CB-CB 4.02Å
53L95.4Very high93.2Very high6 Ų641.8 Ų41.83%0.03124%0.243CC..G310 helixtrans-98.81.1-177.4-61.2-177.7000113.5F17 L19 V46 R50 C51 S55 L59 A62F17-L53 HydrophobicContact CE1-CD1 4.03Å; F17-L53 HydrophobicContact CE1-CD2 4.34Å; L19-L53 HydrophobicContact CD2-CD1 4.27Å; V46-L53 HydrophobicContact CG1-CB 3.38Å; V46-L53 HydrophobicContact CG1-CD1 4.07Å; V46-L53 HydrophobicContact CG1-CG 4.34Å; V46-L53 HydrophobicContact CG2-CB 4.37Å; R50-L53 HydrophobicContact CB-CB 4.37Å; R50-L53 HydrophobicContact CB-CD1 3.68Å; R50-L53 HydrophobicContact CB-CG 3.94Å; R50-L53 HydrophobicContact CG-CD1 4.17Å; R50-L53 PolarHBondContact O-N 2.91Å; R50-L53 VanDerWaalsContact O-N 3.12Å; C51-L53 PolarHBondContact O-N 2.53Å; L53-S55 VanDerWaalsContact C-N 3.26Å; L53-S55 PolarHBondContact O-N 2.8Å; L53-L59 HydrophobicContact CD2-CD1 4.47Å; L53-A62 HydrophobicContact CD2-CB 3.38Å
54L94.9Very high93.2Very high25 Ų2539.2 Ų39.213%0.13123%0.232CC..SBendtrans-73.1-15.7-175.9-68.6174.1000114.1C51 L119 K122 L123C51-L54 HydrophobicContact CB-CD1 4.41Å; C51-L54 PolarHBondContact O-N 2.89Å; L54-L119 HydrophobicContact CB-CD1 3.92Å; L54-K122 HydrophobicContact CB-CB 4.46Å; L54-K122 HydrophobicContact CB-CD 4.39Å; L54-K122 WeakPolarHBondContact O-CD 3.49Å; L54-K122 PolarHBondContact O-NZ 2.95Å; L54-L123 HydrophobicContact CD1-CD2 3.74Å; L54-L123 HydrophobicContact CD1-CG 4.33Å
55S93.7Very high93.2Very high4 Ų437.2 Ų37.23%0.02822%0.223CC..SBendtrans-108.6156.717864.40000112.1L53 E57 G58 L59 T250L53-S55 VanDerWaalsContact C-N 3.26Å; L53-S55 PolarHBondContact O-N 2.8Å; S55-E57 WeakPolarHBondContact CB-OE2 3.4Å; S55-E57 PolarHBondContact O-N 2.9Å; S55-G58 PolarHBondContact O-N 3.46Å; S55-G58 PolarHBondContact OG-N 3.29Å; S55-L59 WeakPolarHBondContact O-CB 3.26Å; S55-L59 PolarHBondContact O-N 2.97Å; S55-T250 VanDerWaalsContact OG-CG2 3.27Å; S55-T250 WeakPolarHBondContact OG-CG2 3.5Å
56S92.1Very high93.2Very high74 Ų7432.1 Ų32.152%0.51720%0.199SC..Hα-helixtrans-60.5-36.7175.1680000111.8L60 S115S56-L60 WeakPolarHBondContact O-CB 3.45Å; S56-L60 PolarHBondContact O-N 2.93Å; S56-S115 PolarHBondContact OG-OG 2.83Å
57E92.8Very high93.1Very high8 Ų833 Ų334%0.03720%0.2CC..Hα-helixtrans-69.1-44.1179-59.784.9167.500111.9S55 N61 S115 T250 K253 Y254S55-E57 WeakPolarHBondContact CB-OE2 3.4Å; S55-E57 PolarHBondContact O-N 2.9Å; E57-N61 VanDerWaalsContact O-CB 3.27Å; E57-N61 WeakPolarHBondContact O-CB 3.32Å; E57-N61 VanDerWaalsContact O-CG 3.23Å; E57-N61 PolarHBondContact O-N 3.03Å; E57-N61 PolarHBondContact O-ND2 2.73Å; E57-S115 VanDerWaalsContact CD-OG 3.23Å; E57-S115 WeakPolarHBondContact OE1-CB 3.42Å; E57-S115 PolarHBondContact OE1-OG 3.23Å; E57-S115 PolarHBondContact OE2-OG 3.1Å; E57-T250 HydrophobicContact CB-CG2 3.99Å; E57-K253 HydrophobicContact CB-CD 4.34Å; E57-K253 HydrophobicContact CG-CD 4.09Å; E57-Y254 VanDerWaalsContact CD-OH 3.3Å; E57-Y254 HydrophobicContact CG-CE2 4.49Å; E57-Y254 VanDerWaalsContact CG-OH 3.25Å; E57-Y254 WeakPolarHBondContact CG-OH 3.46Å; E57-Y254 PolarHBondContact OE1-OH 3.09Å
58G93.1Very high92.8Very high11 Ų1140.3 Ų40.311%0.11322%0.22CC..Hα-helixtrans-64.3-49.6178.600000111.6D52 S55 L60 N61 A62D52-G58 CarbonylContact O-C 3.59Å; D52-G58 WeakPolarHBondContact O-CA 3.34Å; S55-G58 PolarHBondContact O-N 3.46Å; S55-G58 PolarHBondContact OG-N 3.29Å; G58-L60 PolarHBondContact O-N 3.41Å; G58-N61 PolarHBondContact O-N 2.96Å; G58-A62 WeakPolarHBondContact O-CB 3.33Å; G58-A62 PolarHBondContact O-N 3.46Å
59L94.1Very high92.3Very high22 Ų2238.9 Ų38.912%0.11520%0.204CC..Hα-helixtrans-58.8-48.8175.3-179.161.4000111.8L19 I44 L53 S55 N61 A62 L63L19-L59 HydrophobicContact CD1-CD1 3.36Å; I44-L59 HydrophobicContact CD1-CD2 3.66Å; L53-L59 HydrophobicContact CD2-CD1 4.47Å; S55-L59 WeakPolarHBondContact O-CB 3.26Å; S55-L59 PolarHBondContact O-N 2.97Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.32Å; L59-A62 PolarHBondContact O-N 3.45Å; L59-L63 HydrophobicContact CD1-CD1 3.91Å; L59-L63 HydrophobicContact CD1-CG 4.01Å; L59-L63 HydrophobicContact CG-CD1 3.92Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.95Å
60L92.1Very high92.2Very high84 Ų8439.9 Ų39.944%0.4421%0.205SC..Hα-helixtrans-62.1-41.7179.3-176.366.3000111.7S56 G58 Q64S56-L60 WeakPolarHBondContact O-CB 3.45Å; S56-L60 PolarHBondContact O-N 2.93Å; G58-L60 PolarHBondContact O-N 3.41Å; L60-Q64 HydrophobicContact CD1-CG 4.16Å; L60-Q64 HydrophobicContact CG-CG 4.3Å; L60-Q64 VanDerWaalsContact O-CB 3.23Å; L60-Q64 WeakPolarHBondContact O-CB 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.19Å; L60-Q64 PolarHBondContact O-N 2.95Å
61N92.2Very high91.8Very high26 Ų2646.2 Ų46.214%0.13923%0.229CC..Hα-helixtrans-62.7-43.8176.8-80.7-25.4000111.4E57 G58 L59 T65E57-N61 VanDerWaalsContact O-CB 3.27Å; E57-N61 WeakPolarHBondContact O-CB 3.32Å; E57-N61 VanDerWaalsContact O-CG 3.23Å; E57-N61 PolarHBondContact O-N 3.03Å; E57-N61 PolarHBondContact O-ND2 2.73Å; G58-N61 PolarHBondContact O-N 2.96Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.32Å; N61-T65 WeakPolarHBondContact O-CB 3.43Å; N61-T65 PolarHBondContact O-N 3.36Å; N61-T65 PolarHBondContact O-OG1 2.95Å
62A94.2Very high91.5Very high14 Ų1446.6 Ų46.612%0.11623%0.231CC..Hα-helixtrans-63.5-49.7177.600000111.8F17 L53 G58 L59 Q64 T65 F66F17-A62 HydrophobicContact CE1-CB 4.13Å; F17-A62 HydrophobicContact CZ-CB 3.89Å; L53-A62 HydrophobicContact CD2-CB 3.38Å; G58-A62 WeakPolarHBondContact O-CB 3.33Å; G58-A62 PolarHBondContact O-N 3.46Å; L59-A62 PolarHBondContact O-N 3.45Å; A62-Q64 PolarHBondContact O-N 2.89Å; A62-T65 WeakPolarHBondContact O-CB 3.42Å; A62-T65 PolarHBondContact O-N 2.77Å; A62-F66 WeakPolarHBondContact O-CB 3.18Å; A62-F66 PolarHBondContact O-N 3.04Å
63L94.1Very high91.2Very high29 Ų2947.6 Ų47.615%0.15224%0.238CC..Hα-helixtrans-63.7-40.2178.9-65.1177.6000112L13 L14 F17 L19 L59 T65 F66 F67L13-L63 HydrophobicContact CD2-CD1 4.4Å; L13-L63 HydrophobicContact CD2-CD2 3.94Å; L14-L63 HydrophobicContact CD2-CD1 4.23Å; F17-L63 HydrophobicContact CB-CD2 4.15Å; F17-L63 HydrophobicContact CD1-CD2 3.75Å; F17-L63 HydrophobicContact CE1-CD2 4.4Å; F17-L63 HydrophobicContact CG-CD2 3.98Å; L19-L63 HydrophobicContact CD1-CD2 4.45Å; L59-L63 HydrophobicContact CD1-CD1 3.91Å; L59-L63 HydrophobicContact CD1-CG 4.01Å; L59-L63 HydrophobicContact CG-CD1 3.92Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.95Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 3.43Å; L63-F66 PolarHBondContact O-N 3.3Å; L63-F67 HydrophobicContact CB-CD2 4.43Å; L63-F67 HydrophobicContact CD2-CD2 4.37Å; L63-F67 HydrophobicContact CD2-CE2 3.95Å; L63-F67 WeakPolarHBondContact O-CB 3.38Å; L63-F67 WeakPolarHBondContact O-CD2 3.5Å; L63-F67 PolarHBondContact O-N 3.42Å
64Q93.5Very high90.8Very high40 Ų4050.8 Ų50.819%0.18726%0.258CS..Hα-helixtrans-64.6-38.8175-75.2-179.83.900112.2L60 A62 F66 R68 S69 K70L60-Q64 HydrophobicContact CD1-CG 4.16Å; L60-Q64 HydrophobicContact CG-CG 4.3Å; L60-Q64 VanDerWaalsContact O-CB 3.23Å; L60-Q64 WeakPolarHBondContact O-CB 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.19Å; L60-Q64 PolarHBondContact O-N 2.95Å; A62-Q64 PolarHBondContact O-N 2.89Å; Q64-F66 VanDerWaalsContact C-N 3.35Å; Q64-R68 CarbonylContact O-C 3.36Å; Q64-R68 WeakPolarHBondContact O-CA 3.26Å; Q64-R68 VanDerWaalsContact O-CB 3.3Å; Q64-R68 WeakPolarHBondContact O-CB 3.24Å; Q64-R68 PolarHBondContact O-N 3.04Å; Q64-S69 PolarHBondContact O-N 2.83Å; Q64-K70 HydrophobicContact CB-CB 4.28Å; Q64-K70 HydrophobicContact CB-CD 4.01Å; Q64-K70 PolarHBondContact O-N 2.96Å; Q64-K70 VanDerWaalsContact OE1-CD 3.23Å
65T93.3Very high90.4Very high8 Ų850.3 Ų50.35%0.04925%0.254CS..Hα-helixtrans-64.5-43.7175.9-57.30000110.4N61 A62 L63 S69 K70 K311 R312N61-T65 WeakPolarHBondContact O-CB 3.43Å; N61-T65 PolarHBondContact O-N 3.36Å; N61-T65 PolarHBondContact O-OG1 2.95Å; A62-T65 WeakPolarHBondContact O-CB 3.42Å; A62-T65 PolarHBondContact O-N 2.77Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 3.43Å; T65-S69 WeakPolarHBondContact O-CA 3.45Å; T65-S69 PolarHBondContact O-N 3.11Å; T65-K70 WeakPolarHBondContact CA-O 3.46Å; T65-K70 WeakPolarHBondContact CG2-O 3.34Å; T65-K70 PolarHBondContact OG1-O 2.96Å; T65-K311 WeakPolarHBondContact CG2-O 3.46Å; T65-R312 CarbonylContact C-O 3.46Å
66F94.5Very high90Very high2 Ų254.8 Ų54.81%0.00927%0.274CS..Hα-helixtrans-72.3-44.1-176.4-170.4-96000114.7R16 F17 A62 L63 Q64 R312 M313 I349 A350R16-F66 WeakPolarHBondContact O-CZ 3.5Å; F17-F66 HydrophobicContact CB-CE1 4.47Å; F17-F66 HydrophobicContact CD2-CB 3.89Å; F17-F66 AromaticContact CD2-CD1 3.91Å; F17-F66 HydrophobicContact CD2-CD1 3.91Å; F17-F66 AromaticContact CD2-CD2 3.48Å; F17-F66 HydrophobicContact CD2-CD2 3.48Å; F17-F66 VanDerWaalsContact CD2-CD2 3.48Å; F17-F66 HydrophobicContact CD2-CE1 4.2Å; F17-F66 AromaticContact CD2-CE2 3.8Å; F17-F66 HydrophobicContact CD2-CE2 3.8Å; F17-F66 AromaticContact CD2-CG 3.5Å; F17-F66 HydrophobicContact CD2-CG 3.5Å; F17-F66 VanDerWaalsContact CD2-CG 3.5Å; F17-F66 HydrophobicContact CD2-CZ 4.14Å; F17-F66 HydrophobicContact CE2-CB 3.94Å; F17-F66 AromaticContact CE2-CD2 3.69Å; F17-F66 HydrophobicContact CE2-CD2 3.69Å; F17-F66 HydrophobicContact CE2-CE2 4.28Å; F17-F66 AromaticContact CE2-CG 3.91Å; F17-F66 HydrophobicContact CE2-CG 3.91Å; A62-F66 WeakPolarHBondContact O-CB 3.18Å; A62-F66 PolarHBondContact O-N 3.04Å; L63-F66 PolarHBondContact O-N 3.3Å; Q64-F66 VanDerWaalsContact C-N 3.35Å; F66-R312 WeakPolarHBondContact CA-O 3.29Å; F66-R312 WeakPolarHBondContact CB-O 3.05Å; F66-R312 HydrophobicContact CD2-CB 4.11Å; F66-R312 PolarHBondContact N-O 2.86Å; F66-R312 PolarHBondContact O-NE 3.21Å; F66-R312 PolarHBondContact O-NH2 3.42Å; F66-M313 HydrophobicContact CD2-SD 3.52Å; F66-M313 VanDerWaalsContact CD2-SD 3.52Å; F66-M313 HydrophobicContact CE2-SD 3.51Å; F66-M313 VanDerWaalsContact CE2-SD 3.51Å; F66-I349 HydrophobicContact CE2-CG2 4.39Å; F66-A350 HydrophobicContact CE2-CB 3.98Å
67F91.7Very high89.7Confident62 Ų6253 Ų5327%0.27226%0.261SS..Hα-helixtrans-97.2-28.8-174-69.7-71.9000114L13 R16 F17 L63L13-F67 HydrophobicContact CB-CZ 4.39Å; L13-F67 HydrophobicContact CD1-CD2 4.15Å; L13-F67 HydrophobicContact CD1-CE2 4.27Å; L13-F67 HydrophobicContact CD1-CG 4.34Å; L13-F67 HydrophobicContact CD2-CD2 3.6Å; L13-F67 HydrophobicContact CD2-CE2 3.14Å; L13-F67 HydrophobicContact CD2-CZ 3.72Å; L13-F67 HydrophobicContact CG-CD1 4.32Å; L13-F67 HydrophobicContact CG-CD2 3.8Å; L13-F67 HydrophobicContact CG-CE1 3.96Å; L13-F67 HydrophobicContact CG-CE2 3.42Å; L13-F67 VanDerWaalsContact CG-CE2 3.42Å; L13-F67 HydrophobicContact CG-CG 4.26Å; L13-F67 HydrophobicContact CG-CZ 3.51Å; L13-F67 WeakPolarHBondContact O-CZ 3.45Å; R16-F67 HydrophobicContact CB-CE1 4.39Å; R16-F67 HydrophobicContact CB-CZ 4.14Å; F17-F67 HydrophobicContact CB-CE2 4.31Å; F17-F67 HydrophobicContact CB-CZ 4.47Å; L63-F67 HydrophobicContact CB-CD2 4.43Å; L63-F67 HydrophobicContact CD2-CD2 4.37Å; L63-F67 HydrophobicContact CD2-CE2 3.95Å; L63-F67 WeakPolarHBondContact O-CB 3.38Å; L63-F67 WeakPolarHBondContact O-CD2 3.5Å; L63-F67 PolarHBondContact O-N 3.42Å
68R86.8Confident89Confident202 Ų20255.2 Ų55.276%0.76229%0.286SS*.Hα-helixtrans-110.93-177.1-57.5-171.3175.1-176.3-0.4113.5Q64 K70Q64-R68 CarbonylContact O-C 3.36Å; Q64-R68 WeakPolarHBondContact O-CA 3.26Å; Q64-R68 VanDerWaalsContact O-CB 3.3Å; Q64-R68 WeakPolarHBondContact O-CB 3.24Å; Q64-R68 PolarHBondContact O-N 3.04Å; R68-K70 PolarHBondContact O-N 3.09Å
69S82.2Confident88.7Confident77 Ų7756.5 Ų56.554%0.53830%0.298SS..  trans51.929.8-176.4-55.90000112.8Q64 T65Q64-S69 PolarHBondContact O-N 2.83Å; T65-S69 WeakPolarHBondContact O-CA 3.45Å; T65-S69 PolarHBondContact O-N 3.11Å
70K88.1Confident88.5Confident100 Ų10061 Ų6144%0.43532%0.322SS..PPolyproline II helixtrans-65.9134.7173.9-172-174179.9-167.30107.7Q64 T65 R68Q64-K70 HydrophobicContact CB-CB 4.28Å; Q64-K70 HydrophobicContact CB-CD 4.01Å; Q64-K70 PolarHBondContact O-N 2.96Å; Q64-K70 VanDerWaalsContact OE1-CD 3.23Å; T65-K70 WeakPolarHBondContact CA-O 3.46Å; T65-K70 WeakPolarHBondContact CG2-O 3.34Å; T65-K70 PolarHBondContact OG1-O 2.96Å; R68-K70 PolarHBondContact O-N 3.09Å
71R85.8Confident88.5Confident152 Ų15257.6 Ų57.657%0.57431%0.305SS*.PPolyproline II helixtrans-64.4131.5175.5-164.5177.9-172.9-176.1-0.3109E316R71-E316 IonicContact CZ-OE1 3.43Å; R71-E316 VanDerWaalsContact CZ-OE1 3.25Å; R71-E316 IonicContact NE-OE1 3.95Å; R71-E316 PolarHBondContact NE-OE1 2.87Å; R71-E316 IonicContact NH2-OE1 3.37Å; R71-E316 PolarHBondContact NH2-OE1 3.43Å; R71-E316 IonicContact NH2-OE2 3.18Å; R71-E316 PolarHBondContact NH2-OE2 3.13Å
72P84.9Confident88.5Confident26 Ų2659.7 Ų59.717%0.16933%0.333CS..PPolyproline II helixtrans-60.7152.2173.726.7-34.8000110
73P86.5Confident88.5Confident28 Ų2859.7 Ų59.718%0.18233%0.332CS..PPolyproline II helixtrans-62.2142.217526.9-33.4000110.8F75 Y259P73-F75 HydrophobicContact CB-CE1 4.34Å; P73-F75 HydrophobicContact CB-CZ 4.33Å; P73-F75 HydrophobicContact CG-CE1 4.03Å; P73-F75 HydrophobicContact CG-CE2 4.23Å; P73-F75 HydrophobicContact CG-CZ 3.63Å; P73-Y259 HydrophobicContact CB-CD1 3.65Å; P73-Y259 HydrophobicContact CB-CD2 3.69Å; P73-Y259 HydrophobicContact CB-CE1 3.48Å; P73-Y259 VanDerWaalsContact CB-CE1 3.48Å; P73-Y259 HydrophobicContact CB-CE2 3.54Å; P73-Y259 HydrophobicContact CB-CG 3.73Å; P73-Y259 VanDerWaalsContact CB-CZ 3.42Å; P73-Y259 HydrophobicContact CG-CD1 4.19Å; P73-Y259 HydrophobicContact CG-CE1 3.76Å
74V85.7Confident88.7Confident73 Ų7359.6 Ų59.644%0.44233%0.332SS..PPolyproline II helixtrans-94.2125.2171.9-175.20000107.4H76 Y259V74-H76 VanDerWaalsContact CG1-CE1 3.47Å; V74-H76 WeakPolarHBondContact CG1-CE1 3.4Å; V74-Y259 WeakPolarHBondContact O-CB 3.18Å
75F87.2Confident88.9Confident14 Ų1457.9 Ų57.96%0.06132%0.324CS..PPolyproline II helixtrans-96.5136.9-176.9-55.6-77.8000110.4P73 C249 Y259 L281 P332P73-F75 HydrophobicContact CB-CE1 4.34Å; P73-F75 HydrophobicContact CB-CZ 4.33Å; P73-F75 HydrophobicContact CG-CE1 4.03Å; P73-F75 HydrophobicContact CG-CE2 4.23Å; P73-F75 HydrophobicContact CG-CZ 3.63Å; F75-C249 HydrophobicContact CD1-CB 4.01Å; F75-C249 HydrophobicContact CE1-CB 3.61Å; F75-C249 WeakPolarHBondContact CE1-O 3.47Å; F75-C249 HydrophobicContact CE2-CB 4.2Å; F75-C249 HydrophobicContact CG-CB 4.48Å; F75-C249 HydrophobicContact CZ-CB 3.68Å; F75-Y259 WeakPolarHBondContact CA-O 3.39Å; F75-Y259 AromaticContact CD1-CD1 3.87Å; F75-Y259 HydrophobicContact CD1-CD1 3.87Å; F75-Y259 HydrophobicContact CD1-CG 4.35Å; F75-Y259 AromaticContact CE1-CD1 3.55Å; F75-Y259 HydrophobicContact CE1-CD1 3.55Å; F75-Y259 HydrophobicContact CE1-CE1 4.14Å; F75-Y259 HydrophobicContact CE1-CG 4.39Å; F75-L281 HydrophobicContact CB-CD2 3.26Å; F75-L281 HydrophobicContact CG-CD2 4.22Å; F75-P332 HydrophobicContact CB-CG 4.25Å; F75-P332 HydrophobicContact CD2-CG 3.47Å; F75-P332 VanDerWaalsContact CD2-CG 3.47Å; F75-P332 HydrophobicContact CE2-CG 4.09Å; F75-P332 HydrophobicContact CG-CG 4.11Å
76H85Confident89.1Confident98 Ų9859.4 Ų59.445%0.45434%0.336SS..EExtended strand (participates in β ladder)trans-125.7137.3-174.5-61.5-67.7000111.8V74 Y259 T260 A261V74-H76 VanDerWaalsContact CG1-CE1 3.47Å; V74-H76 WeakPolarHBondContact CG1-CE1 3.4Å; H76-Y259 PolarHBondContact N-O 2.84Å; H76-T260 WeakPolarHBondContact O-CA 3.27Å; H76-A261 PolarHBondContact O-N 3.18Å
77V85.7Confident89.3Confident37 Ų3760.1 Ų60.122%0.22434%0.34CS..EExtended strand (participates in β ladder)trans-90.2107.7163-1730000107.9G79 A261 A263 P277 L281V77-G79 PolarHBondContact O-N 2.87Å; V77-A261 CarbonylContact C-O 3.55Å; V77-A261 VanDerWaalsContact CA-O 3.27Å; V77-A261 WeakPolarHBondContact CA-O 3.14Å; V77-A263 HydrophobicContact CG1-CB 3.84Å; V77-P277 HydrophobicContact CG2-CG 4.14Å; V77-L281 HydrophobicContact CG2-CB 4.16Å; V77-L281 HydrophobicContact CG2-CD1 3.17Å; V77-L281 HydrophobicContact CG2-CG 4.23Å
78G79.4Confident89.5Confident55 Ų5560.3 Ų60.357%0.56734%0.344SS*.EExtended strand (participates in β ladder)trans-70.78.2-175.200000115.4A261G78-A261 PolarHBondContact N-O 3.45Å
79G86.5Confident90Very high37 Ų3754.9 Ų54.938%0.38133%0.33SS..EExtended strand (participates in β ladder)trans106.4-167.1-17400000112.8V77 A263V77-G79 PolarHBondContact O-N 2.87Å; G79-A263 PolarHBondContact O-N 3.12Å
80L89.7Confident90.6Very high118 Ų11852.8 Ų52.862%0.61832%0.316SS*.EExtended strand (participates in β ladder)trans-76.6132.9177.7-67.8172.2000110.6G82 A263L80-G82 PolarHBondContact O-N 3.32Å; L80-A263 HydrophobicContact CD2-CB 4.32Å
81S91.6Very high91Very high11 Ų1148.1 Ų48.18%0.07730%0.295CS..EExtended strand (participates in β ladder)trans-71.8-14.1178.559.80000114.7V83 R104 E262 A263S81-V83 PolarHBondContact O-N 3.25Å; S81-V83 WeakPolarHBondContact OG-CB 3.2Å; S81-V83 PolarHBondContact OG-N 3.17Å; S81-R104 PolarHBondContact O-NH2 3.15Å; S81-E262 WeakPolarHBondContact CA-OE2 3.49Å; S81-E262 WeakPolarHBondContact CB-OE2 3.25Å; S81-A263 WeakPolarHBondContact CB-O 3.38Å; S81-A263 PolarHBondContact N-O 3.06Å; S81-A263 PolarHBondContact OG-O 3.18Å
82G92Very high91.3Very high70 Ų7046.4 Ų46.472%0.72229%0.292SS*.EExtended strand (participates in β ladder)trans76.3-6.7-164.900000113.9L80L80-G82 PolarHBondContact O-N 3.32Å
83V95.4Very high91.6Very high15 Ų1556.7 Ų56.79%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-80.4134.2175.2176.70000110.3S81 V102 L141 F148 L229 V264 T265S81-V83 PolarHBondContact O-N 3.25Å; S81-V83 WeakPolarHBondContact OG-CB 3.2Å; S81-V83 PolarHBondContact OG-N 3.17Å; V83-V102 HydrophobicContact CB-CG2 4.33Å; V83-V102 HydrophobicContact CG2-CG2 3.94Å; V83-L141 HydrophobicContact CG2-CD1 4.34Å; V83-L141 HydrophobicContact CG2-CD2 4.39Å; V83-F148 HydrophobicContact CG1-CD2 3.52Å; V83-F148 HydrophobicContact CG1-CE2 3.41Å; V83-F148 VanDerWaalsContact CG1-CE2 3.41Å; V83-L229 HydrophobicContact CG1-CD1 4.42Å; V83-V264 HydrophobicContact CB-CG1 4.37Å; V83-V264 HydrophobicContact CB-CG2 4.23Å; V83-V264 HydrophobicContact CG1-CG1 3.93Å; V83-V264 HydrophobicContact CG1-CG2 4.28Å; V83-T265 PolarHBondContact O-N 3.19Å; V83-T265 VanDerWaalsContact O-N 3.09Å
84T97.4Very high91.9Very high26 Ų2657.1 Ų57.116%0.1633%0.328CS..EExtended strand (participates in β ladder)trans-125.1135.8174.8-60.20000110.2F148 T265 R267T84-F148 PolarHBondContact O-N 2.89Å; T84-T265 CarbonylContact C-O 2.91Å; T84-T265 VanDerWaalsContact CA-O 3.25Å; T84-T265 WeakPolarHBondContact CA-O 3.47Å; T84-R267 HydrophobicContact CG2-CG 3.79Å
85V98Very high92.3Very high4 Ų453.8 Ų53.82%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-115.8116.1171.8-176.30000108.7I98 F148 V264 T265 V266 R267V85-I98 HydrophobicContact CG1-CD1 4.09Å; V85-I98 HydrophobicContact CG1-CG2 4.2Å; V85-F148 WeakPolarHBondContact CA-O 3.48Å; V85-F148 HydrophobicContact CG1-CB 4.44Å; V85-F148 HydrophobicContact CG2-CB 4.12Å; V85-F148 HydrophobicContact CG2-CD2 4.36Å; V85-V264 HydrophobicContact CG2-CG1 3.78Å; V85-T265 PolarHBondContact N-O 3.47Å; V85-V266 HydrophobicContact CB-CG2 4.44Å; V85-V266 CarbonylContact O-C 3.48Å; V85-V266 WeakPolarHBondContact O-CA 3.33Å; V85-R267 PolarHBondContact O-N 3.23Å
86S97.8Very high92.7Very high41 Ų4154.7 Ų54.729%0.28731%0.314SS..EExtended strand (participates in β ladder)trans-89.8131.7174-61.50000110F148 L149 Y150S86-F148 PolarHBondContact N-O 3.25Å; S86-L149 CarbonylContact O-C 3.51Å; S86-L149 WeakPolarHBondContact O-CA 3.32Å; S86-Y150 PolarHBondContact O-N 3.18Å
87V97.8Very high93.2Very high17 Ų1753.8 Ų53.810%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-104.8118.8179.6-1740000108.9V91 I98 Y150 V266 R267 A269V87-V91 HydrophobicContact CG1-CG2 3.45Å; V87-V91 VanDerWaalsContact CG1-CG2 3.45Å; V87-I98 HydrophobicContact CG2-CG2 3.41Å; V87-I98 VanDerWaalsContact CG2-CG2 3.41Å; V87-Y150 HydrophobicContact CG1-CD1 3.99Å; V87-Y150 HydrophobicContact CG2-CD1 4.46Å; V87-V266 HydrophobicContact CG2-CG1 3.64Å; V87-R267 PolarHBondContact N-O 3.36Å; V87-A269 WeakPolarHBondContact O-CA 3.42Å; V87-A269 WeakPolarHBondContact O-CB 3.32Å; V87-A269 PolarHBondContact O-N 3.29Å
88D96.7Very high93.8Very high66 Ų6652.2 Ų52.235%0.35330%0.3SS..  trans-81.2148.3178177.6-112.8000111.9S90 V91 L149 Y150 T151D88-S90 PolarHBondContact O-N 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 3.33Å; D88-S90 VanDerWaalsContact OD1-N 3.17Å; D88-S90 PolarHBondContact OD1-OG 2.95Å; D88-V91 WeakPolarHBondContact O-CG2 3.26Å; D88-V91 PolarHBondContact O-N 3.4Å; D88-L149 HydrophobicContact CB-CD1 4.33Å; D88-Y150 PolarHBondContact N-O 2.79Å; D88-T151 WeakPolarHBondContact CB-OG1 3.4Å; D88-T151 PolarHBondContact OD1-OG1 2.92Å
89D95.9Very high94.6Very high87 Ų8749.6 Ų49.647%0.46527%0.273SS..G310 helixtrans-59.8-25.9-175.7-162.969000113V91 K92 A269D89-V91 PolarHBondContact O-N 2.84Å; D89-V91 VanDerWaalsContact O-N 3.12Å; D89-K92 WeakPolarHBondContact O-CB 3.39Å; D89-K92 WeakPolarHBondContact O-CG 3.39Å; D89-K92 PolarHBondContact O-N 2.9Å; D89-K92 VanDerWaalsContact O-N 3.16Å; D89-K92 VanDerWaalsContact OD1-CD 3.25Å; D89-K92 WeakPolarHBondContact OD1-CD 3.14Å; D89-K92 WeakPolarHBondContact OD1-CE 3.36Å; D89-K92 IonicContact OD1-NZ 3.24Å; D89-K92 PolarHBondContact OD1-NZ 3.34Å; D89-A269 HydrophobicContact CB-CB 3.88Å
90S95.6Very high95.1Very high34 Ų3447.9 Ų47.924%0.23826%0.255CS..G310 helixtrans-63.2-19.9-177.3710000114.4D88 K92 T151 T152D88-S90 PolarHBondContact O-N 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 3.33Å; D88-S90 VanDerWaalsContact OD1-N 3.17Å; D88-S90 PolarHBondContact OD1-OG 2.95Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.46Å; S90-T151 PolarHBondContact OG-OG1 3.47Å; S90-T152 WeakPolarHBondContact CB-OG1 3.44Å; S90-T152 PolarHBondContact OG-N 3.36Å; S90-T152 PolarHBondContact OG-OG1 3.17Å
91V95.6Very high95.5Very high1 Ų142.2 Ų42.21%0.00623%0.225CC..G310 helixtrans-74.6-18.9178.8-53.80000113.2V87 D88 D89 R93 I94 R95 Y150 T152V87-V91 HydrophobicContact CG1-CG2 3.45Å; V87-V91 VanDerWaalsContact CG1-CG2 3.45Å; D88-V91 WeakPolarHBondContact O-CG2 3.26Å; D88-V91 PolarHBondContact O-N 3.4Å; D89-V91 PolarHBondContact O-N 2.84Å; D89-V91 VanDerWaalsContact O-N 3.12Å; V91-R93 PolarHBondContact O-N 2.96Å; V91-I94 PolarHBondContact O-N 3.41Å; V91-R95 CarbonylContact O-C 3.55Å; V91-R95 VanDerWaalsContact O-C 3.31Å; V91-R95 PolarHBondContact O-N 2.9Å; V91-Y150 HydrophobicContact CB-CD1 4.45Å; V91-Y150 HydrophobicContact CB-CE1 3.92Å; V91-Y150 HydrophobicContact CG1-CD1 3.95Å; V91-Y150 HydrophobicContact CG1-CD2 4.28Å; V91-Y150 HydrophobicContact CG1-CE1 3.77Å; V91-Y150 HydrophobicContact CG1-CE2 4.13Å; V91-Y150 HydrophobicContact CG1-CG 4.2Å; V91-Y150 HydrophobicContact CG2-CD1 4.2Å; V91-Y150 HydrophobicContact CG2-CE1 3.88Å; V91-T152 HydrophobicContact CB-CG2 4.26Å; V91-T152 HydrophobicContact CG1-CG2 3.82Å
92K93.1Very high95.7Very high116 Ų11641.7 Ų41.750%0.50422%0.222SC..G310 helixtrans-54.5-33.9-171-78.4-178177168.10114.5D89 S90D89-K92 WeakPolarHBondContact O-CB 3.39Å; D89-K92 WeakPolarHBondContact O-CG 3.39Å; D89-K92 PolarHBondContact O-N 2.9Å; D89-K92 VanDerWaalsContact O-N 3.16Å; D89-K92 VanDerWaalsContact OD1-CD 3.25Å; D89-K92 WeakPolarHBondContact OD1-CD 3.14Å; D89-K92 WeakPolarHBondContact OD1-CE 3.36Å; D89-K92 IonicContact OD1-NZ 3.24Å; D89-K92 PolarHBondContact OD1-NZ 3.34Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.46Å
93R90.2Very high95.9Very high243 Ų24338.4 Ų38.492%0.91719%0.187SC*.G310 helixtrans-87.4-14.3-176.1-64-174.3-177.5-1731114.3V91V91-R93 PolarHBondContact O-N 2.96Å
94I92.8Very high95.9Very high36 Ų3641.7 Ų41.719%0.18520%0.198CC..THydrogen-bonded Turntrans-117.7-53.6-171-63.4154.6000110.2V91 T152 I191 A194 R196 P198 L235V91-I94 PolarHBondContact O-N 3.41Å; I94-T152 HydrophobicContact CD1-CG2 3.82Å; I94-I191 HydrophobicContact CG2-CG2 4.25Å; I94-A194 HydrophobicContact CD1-CB 4.34Å; I94-A194 HydrophobicContact CG1-CB 4.22Å; I94-R196 HydrophobicContact CD1-CB 4.16Å; I94-R196 WeakPolarHBondContact CD1-O 3.17Å; I94-P198 HydrophobicContact CG2-CG 3.87Å; I94-L235 WeakPolarHBondContact O-CD2 3.46Å
95R95.2Very high95.9Very high3 Ų341.5 Ų41.51%0.01120%0.201CC..  trans-157.182.2-177.6-173.3169.1-75.9-113.70.1109.7V91 F97 R131 A132 Y150 P198 T233 A234V91-R95 CarbonylContact O-C 3.55Å; V91-R95 VanDerWaalsContact O-C 3.31Å; V91-R95 PolarHBondContact O-N 2.9Å; R95-F97 VanDerWaalsContact C-N 3.34Å; R95-F97 PolarHBondContact O-N 3.17Å; R95-R131 PolarHBondContact NH1-O 2.98Å; R95-R131 PolarHBondContact NH2-O 3.49Å; R95-A132 PolarHBondContact NH2-O 3.34Å; R95-Y150 VanDerWaalsContact CB-OH 3.29Å; R95-Y150 WeakPolarHBondContact CB-OH 3.37Å; R95-Y150 WeakPolarHBondContact CG-OH 3.4Å; R95-Y150 WeakPolarHBondContact O-CE1 3.25Å; R95-Y150 PolarHBondContact O-OH 3.17Å; R95-P198 HydrophobicContact CB-CG 4.46Å; R95-T233 WeakPolarHBondContact CD-OG1 3.18Å; R95-T233 PolarHBondContact NH1-O 2.82Å; R95-A234 CarbonylContact C-O 3.54Å; R95-A234 WeakPolarHBondContact CG-O 3.3Å
96P95.2Very high95.8Very high33 Ų3341.3 Ų41.321%0.21420%0.2CC..  trans-66.5-24.9-161.521.6-32.7000115.7
97F96.6Very high95.7Very high79 Ų7944.8 Ų44.835%0.34621%0.212SC..EExtended strand (participates in β ladder)trans-113.7148.2-167.5-53.8-61.9000112.6R95 T233 A234 L235 L237R95-F97 VanDerWaalsContact C-N 3.34Å; R95-F97 PolarHBondContact O-N 3.17Å; F97-T233 CarbonylContact O-C 3.57Å; F97-T233 WeakPolarHBondContact O-CA 3.41Å; F97-A234 HydrophobicContact CB-CB 4.44Å; F97-A234 PolarHBondContact N-O 2.89Å; F97-A234 VanDerWaalsContact N-O 3.07Å; F97-A234 PolarHBondContact O-N 3.05Å; F97-L235 WeakPolarHBondContact CE2-O 3.37Å; F97-L237 HydrophobicContact CB-CB 4.4Å; F97-L237 HydrophobicContact CB-CD1 4.14Å; F97-L237 HydrophobicContact CD1-CB 4.2Å; F97-L237 HydrophobicContact CD1-CD1 4.43Å; F97-L237 HydrophobicContact CD1-CD2 4.47Å; F97-L237 HydrophobicContact CD2-CB 3.82Å; F97-L237 HydrophobicContact CE1-CB 4.48Å; F97-L237 HydrophobicContact CE2-CB 4.12Å; F97-L237 HydrophobicContact CG-CB 3.87Å; F97-L237 HydrophobicContact CG-CD1 4.3Å; F97-L237 HydrophobicContact CZ-CB 4.44Å
98I97.7Very high95.5Very high5 Ų544.6 Ų44.63%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-140.4137165.9-173.7166.3000109V85 V87 Y150 I200 E231 C232 T233 V266V85-I98 HydrophobicContact CG1-CD1 4.09Å; V85-I98 HydrophobicContact CG1-CG2 4.2Å; V87-I98 HydrophobicContact CG2-CG2 3.41Å; V87-I98 VanDerWaalsContact CG2-CG2 3.41Å; I98-Y150 HydrophobicContact CB-CD1 3.73Å; I98-Y150 HydrophobicContact CB-CE1 4.07Å; I98-Y150 HydrophobicContact CB-CG 4.4Å; I98-Y150 HydrophobicContact CD1-CD1 4.26Å; I98-Y150 HydrophobicContact CD1-CG 4.07Å; I98-Y150 HydrophobicContact CG2-CD1 3.64Å; I98-Y150 HydrophobicContact CG2-CE1 4.37Å; I98-Y150 HydrophobicContact CG2-CG 4.3Å; I98-I200 HydrophobicContact CD1-CD1 3.62Å; I98-I200 HydrophobicContact CD1-CG1 4.34Å; I98-E231 HydrophobicContact CD1-CB 4.34Å; I98-E231 HydrophobicContact CD1-CG 4.38Å; I98-C232 VanDerWaalsContact CA-O 3.31Å; I98-C232 WeakPolarHBondContact CA-O 3.48Å; I98-T233 HydrophobicContact CB-CG2 4.3Å; I98-T233 HydrophobicContact CD1-CG2 3.84Å; I98-T233 HydrophobicContact CG1-CG2 4.01Å; I98-V266 HydrophobicContact CG2-CG1 4.01Å
99V96.7Very high95.4Very high0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-126.3150.1169.8-56.60000108.2E231 C232 L237 A240 E241 L244 Y276V99-E231 CarbonylContact O-C 3.46Å; V99-E231 WeakPolarHBondContact O-CA 3.43Å; V99-C232 HydrophobicContact CG2-CB 3.69Å; V99-C232 PolarHBondContact N-O 3.42Å; V99-C232 PolarHBondContact O-N 3.47Å; V99-L237 HydrophobicContact CG1-CD1 3.69Å; V99-A240 HydrophobicContact CG1-CB 4.38Å; V99-A240 HydrophobicContact CG2-CB 3.82Å; V99-A240 WeakPolarHBondContact CG2-O 3.49Å; V99-E241 HydrophobicContact CG1-CG 4.3Å; V99-L244 HydrophobicContact CB-CD2 3.94Å; V99-L244 HydrophobicContact CG2-CB 3.9Å; V99-L244 HydrophobicContact CG2-CD2 3.81Å; V99-L244 HydrophobicContact CG2-CG 4.36Å; V99-Y276 HydrophobicContact CB-CD1 3.85Å; V99-Y276 HydrophobicContact CB-CD2 4.27Å; V99-Y276 HydrophobicContact CB-CE1 4.15Å; V99-Y276 HydrophobicContact CB-CG 3.9Å; V99-Y276 HydrophobicContact CG1-CD1 3.65Å; V99-Y276 HydrophobicContact CG1-CD2 4.24Å; V99-Y276 HydrophobicContact CG1-CE1 3.42Å; V99-Y276 VanDerWaalsContact CG1-CE1 3.42Å; V99-Y276 HydrophobicContact CG1-CE2 4.02Å; V99-Y276 HydrophobicContact CG1-CG 4.05Å
100A97.1Very high95.3Very high0 Ų047.3 Ų47.30%022%0.218CC..EExtended strand (participates in β ladder)trans-150.9158.3-176.700000112.3L229 I230 E231 V264 Y276A100-L229 HydrophobicContact CB-CD1 4.29Å; A100-I230 CarbonylContact C-O 3.35Å; A100-I230 WeakPolarHBondContact CA-O 3.05Å; A100-I230 VanDerWaalsContact CB-O 3.28Å; A100-I230 WeakPolarHBondContact CB-O 3.44Å; A100-E231 HydrophobicContact CB-CB 4.22Å; A100-V264 HydrophobicContact CB-CB 3.97Å; A100-V264 HydrophobicContact CB-CG1 3.87Å; A100-V264 HydrophobicContact CB-CG2 4.12Å; A100-V264 WeakPolarHBondContact O-CB 3.08Å; A100-Y276 CarbonylContact O-C 3.49Å; A100-Y276 VanDerWaalsContact O-CB 3.22Å; A100-Y276 WeakPolarHBondContact O-CB 3.49Å
101A96.3Very high95Very high0 Ų053 Ų530%024%0.241CC..EExtended strand (participates in β ladder)trans-145.5154.8176.100000110.3I230 L244 V248A101-I230 PolarHBondContact N-O 2.89Å; A101-I230 PolarHBondContact O-N 3.2Å; A101-L244 HydrophobicContact CB-CD1 3.85Å; A101-L244 HydrophobicContact CB-CD2 4.27Å; A101-L244 HydrophobicContact CB-CG 4.26Å; A101-V248 HydrophobicContact CB-CG2 3.51Å
102V96.8Very high94.9Very high0 Ų053.2 Ų53.20%024%0.242CC..EExtended strand (participates in β ladder)trans-113.8132.5173.71700000110.1V83 R104 L141 M228 L229 E262 V264V83-V102 HydrophobicContact CB-CG2 4.33Å; V83-V102 HydrophobicContact CG2-CG2 3.94Å; V102-R104 HydrophobicContact CG1-CG 3.98Å; V102-L141 HydrophobicContact CG1-CD2 3.71Å; V102-L141 HydrophobicContact CG2-CD2 4Å; V102-M228 WeakPolarHBondContact CA-O 3.18Å; V102-L229 HydrophobicContact CG2-CD1 3.92Å; V102-E262 HydrophobicContact CB-CB 4.21Å; V102-E262 PolarHBondContact N-O 3.41Å; V102-E262 PolarHBondContact O-N 2.92Å; V102-V264 HydrophobicContact CG2-CG2 3.72Å
103L96.3Very high95Very high0 Ų050.4 Ų50.40%023%0.229CC..EExtended strand (participates in β ladder)trans-110.5127.8171.5-63.3-169.5000109M106 N227 M228 I230 V248 C251 A261L103-M106 HydrophobicContact CB-CG 4.11Å; L103-M106 HydrophobicContact CB-SD 3.63Å; L103-M106 HydrophobicContact CD1-CE 4.08Å; L103-M106 HydrophobicContact CD1-SD 4.11Å; L103-N227 WeakPolarHBondContact O-CA 3.31Å; L103-M228 HydrophobicContact CD1-CE 3.85Å; L103-M228 PolarHBondContact N-O 3.32Å; L103-M228 PolarHBondContact O-N 3.23Å; L103-I230 HydrophobicContact CD1-CD1 3.85Å; L103-I230 HydrophobicContact CG-CD1 4.18Å; L103-V248 HydrophobicContact CD2-CG1 4.47Å; L103-C251 HydrophobicContact CD1-CB 3.48Å; L103-C251 VanDerWaalsContact CD1-CB 3.48Å; L103-A261 HydrophobicContact CD2-CB 3.65Å
104R96Very high95.2Very high84 Ų8443.1 Ų43.132%0.31721%0.205SC..  trans-114.5150.5-176.2-70.2-152.3-168.6-84.4-10.6113.5S81 V102 M106 N227 C255 N256 E262S81-R104 PolarHBondContact O-NH2 3.15Å; V102-R104 HydrophobicContact CG1-CG 3.98Å; R104-M106 VanDerWaalsContact C-N 3.29Å; R104-M106 PolarHBondContact O-N 3.06Å; R104-N227 WeakPolarHBondContact CA-OD1 3.4Å; R104-C255 WeakPolarHBondContact O-CA 3.16Å; R104-C255 VanDerWaalsContact O-CB 3.31Å; R104-C255 WeakPolarHBondContact O-CB 3.23Å; R104-N256 PolarHBondContact O-N 3.3Å; R104-E262 WeakPolarHBondContact CD-OE1 3.23Å; R104-E262 IonicContact CZ-OE1 2.74Å; R104-E262 IonicContact CZ-OE2 3.43Å; R104-E262 VanDerWaalsContact CZ-OE2 3.25Å; R104-E262 IonicContact NE-OE1 2.63Å; R104-E262 PolarHBondContact NE-OE1 3.09Å; R104-E262 IonicContact NE-OE2 2.65Å; R104-E262 PolarHBondContact NE-OE2 3.12Å; R104-E262 IonicContact NH2-OE2 2.88Å; R104-E262 PolarHBondContact NH2-OE2 3Å
105G95.8Very high95.2Very high22 Ų2242 Ų4223%0.22720%0.201CC..SBendtrans62.237.8174.200000112.5H107 R226 N227 N256G105-H107 PolarHBondContact O-CD2 2.84Å; G105-R226 PolarHBondContact N-O 2.86Å; G105-N227 PolarHBondContact N-OD1 2.85Å; G105-N256 PolarHBondContact O-N 2.8Å
106M96.2Very high95.2Very high0 Ų042.1 Ų42.10%020%0.201CC..  trans-70.2135.4-177.5-64.4-17175.800112L103 R104 L108 L116 R226 M228 C251 Y254L103-M106 HydrophobicContact CB-CG 4.11Å; L103-M106 HydrophobicContact CB-SD 3.63Å; L103-M106 HydrophobicContact CD1-CE 4.08Å; L103-M106 HydrophobicContact CD1-SD 4.11Å; R104-M106 VanDerWaalsContact C-N 3.29Å; R104-M106 PolarHBondContact O-N 3.06Å; M106-L108 HydrophobicContact CB-CG 4.5Å; M106-L108 HydrophobicContact CE-CD2 3.97Å; M106-L108 HydrophobicContact CE-CG 4.48Å; M106-L116 HydrophobicContact CE-CD1 4.49Å; M106-R226 PolarHBondContact N-O 3.16Å; M106-R226 WeakPolarHBondContact O-CD 3.21Å; M106-M228 HydrophobicContact CE-CE 3.99Å; M106-M228 HydrophobicContact SD-CB 3.58Å; M106-M228 VanDerWaalsContact SD-CB 3.58Å; M106-M228 HydrophobicContact SD-CE 3.92Å; M106-M228 HydrophobicContact SD-SD 4.28Å; M106-C251 HydrophobicContact CE-CB 4.44Å; M106-Y254 CarbonylContact C-O 3.31Å; M106-Y254 VanDerWaalsContact CA-O 3.27Å; M106-Y254 WeakPolarHBondContact CA-O 3.42Å
107H96.2Very high95.2Very high115 Ų11542.8 Ų42.853%0.53220%0.202SC..  trans-112.491.7172-68.1-73.6000110.5G105 Y254G105-H107 PolarHBondContact O-CD2 2.84Å; H107-Y254 PolarHBondContact N-O 2.86Å
108L94.1Very high95.1Very high13 Ų1341.9 Ų41.97%0.06820%0.201CC..  trans-93.6117.3-178.5-64.4175.5000111.6M106 S112 V221 Y254M106-L108 HydrophobicContact CB-CG 4.5Å; M106-L108 HydrophobicContact CE-CD2 3.97Å; M106-L108 HydrophobicContact CE-CG 4.48Å; L108-S112 WeakPolarHBondContact CA-OG 3.43Å; L108-V221 HydrophobicContact CD1-CG1 4.17Å; L108-Y254 HydrophobicContact CD2-CD2 4.35Å; L108-Y254 HydrophobicContact CD2-CG 4.45Å
109T94.5Very high95Very high81 Ų8141.7 Ų41.750%0.49720%0.2SC..  trans-82.4167.9160.467.80000110.2E111 S112 Y113T109-E111 VanDerWaalsContact C-N 3.35Å; T109-E111 PolarHBondContact O-N 2.83Å; T109-S112 PolarHBondContact N-OG 2.82Å; T109-S112 PolarHBondContact O-N 2.77Å; T109-S112 PolarHBondContact O-OG 3.18Å; T109-S112 PolarHBondContact OG1-N 3.37Å; T109-S112 PolarHBondContact OG1-OG 3.45Å; T109-Y113 WeakPolarHBondContact O-CB 3.5Å; T109-Y113 PolarHBondContact O-N 3Å
110R93.1Very high95Very high128 Ų12842.9 Ų42.948%0.48321%0.206SC..Hα-helixtrans-54.4-49.9173.5-177.1177.1179.8170.17.9111.9E33 S112 Y113 E114E33-R110 IonicContact OE1-NH2 3.55Å; E33-R110 PolarHBondContact OE1-NH2 2.88Å; E33-R110 IonicContact OE2-CZ 2.84Å; E33-R110 IonicContact OE2-NH1 2.59Å; E33-R110 PolarHBondContact OE2-NH1 3.09Å; E33-R110 IonicContact OE2-NH2 3.5Å; E33-R110 PolarHBondContact OE2-NH2 3.46Å; R110-S112 PolarHBondContact O-N 2.89Å; R110-Y113 WeakPolarHBondContact O-CB 3.45Å; R110-Y113 PolarHBondContact O-N 3.09Å; R110-E114 WeakPolarHBondContact CG-OE1 3.31Å; R110-E114 IonicContact CZ-OE1 3.05Å; R110-E114 IonicContact NE-OE1 3.27Å; R110-E114 PolarHBondContact NE-OE1 3.26Å; R110-E114 IonicContact NH2-OE1 2.77Å; R110-E114 PolarHBondContact NH2-OE1 2.83Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.38Å
111E90.6Very high94.9Very high155 Ų15547.4 Ų47.472%0.72423%0.227SC*.Hα-helixtrans-59-45.4178.3-64.4173.7-179.400112.3T109 Y113 E114 S115T109-E111 VanDerWaalsContact C-N 3.35Å; T109-E111 PolarHBondContact O-N 2.83Å; E111-Y113 VanDerWaalsContact C-N 3.29Å; E111-Y113 PolarHBondContact O-N 2.99Å; E111-E114 PolarHBondContact O-N 3.05Å; E111-S115 WeakPolarHBondContact O-CB 3.34Å; E111-S115 PolarHBondContact O-N 2.59Å
112S92.9Very high94.9Very high4 Ų451 Ų513%0.02824%0.243CC..Hα-helixtrans-67.9-30.7179.164.90000112.9L108 T109 R110 L116 Y254L108-S112 WeakPolarHBondContact CA-OG 3.43Å; T109-S112 PolarHBondContact N-OG 2.82Å; T109-S112 PolarHBondContact O-N 2.77Å; T109-S112 PolarHBondContact O-OG 3.18Å; T109-S112 PolarHBondContact OG1-N 3.37Å; T109-S112 PolarHBondContact OG1-OG 3.45Å; R110-S112 PolarHBondContact O-N 2.89Å; S112-L116 VanDerWaalsContact O-CB 3.32Å; S112-L116 WeakPolarHBondContact O-CB 2.99Å; S112-L116 PolarHBondContact O-N 3.21Å; S112-L116 VanDerWaalsContact O-N 3.11Å; S112-Y254 VanDerWaalsContact CB-CZ 3.44Å
113Y94.6Very high94.9Very high58 Ų5851 Ų5123%0.22724%0.243CC..Hα-helixtrans-68.7-47.3174.8172.9-98.7000110.4T109 R110 E111 S115 L116 I117 V221 T223T109-Y113 WeakPolarHBondContact O-CB 3.5Å; T109-Y113 PolarHBondContact O-N 3Å; R110-Y113 WeakPolarHBondContact O-CB 3.45Å; R110-Y113 PolarHBondContact O-N 3.09Å; E111-Y113 VanDerWaalsContact C-N 3.29Å; E111-Y113 PolarHBondContact O-N 2.99Å; Y113-S115 PolarHBondContact O-N 2.84Å; Y113-L116 PolarHBondContact O-N 3.34Å; Y113-I117 HydrophobicContact CE1-CG1 4.17Å; Y113-I117 HydrophobicContact CE2-CD1 4.32Å; Y113-I117 HydrophobicContact CE2-CG1 4.28Å; Y113-I117 WeakPolarHBondContact O-CG1 3.11Å; Y113-I117 PolarHBondContact O-N 3.23Å; Y113-I117 VanDerWaalsContact O-N 3.07Å; Y113-V221 HydrophobicContact CD2-CG1 4.46Å; Y113-V221 HydrophobicContact CE2-CG1 4.21Å; Y113-V221 WeakPolarHBondContact CE2-O 3.24Å; Y113-V221 PolarHBondContact OH-O 3.49Å; Y113-T223 HydrophobicContact CG-CG2 4.49Å
114E93.7Very high94.9Very high90 Ų9051.2 Ų51.242%0.42124%0.244SC..Hα-helixtrans-60.9-43.8176.6-71.9167.2-177.100111.4R110 E111 L116 I117 D118R110-E114 WeakPolarHBondContact CG-OE1 3.31Å; R110-E114 IonicContact CZ-OE1 3.05Å; R110-E114 IonicContact NE-OE1 3.27Å; R110-E114 PolarHBondContact NE-OE1 3.26Å; R110-E114 IonicContact NH2-OE1 2.77Å; R110-E114 PolarHBondContact NH2-OE1 2.83Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.38Å; E111-E114 PolarHBondContact O-N 3.05Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 3.35Å; E114-I117 PolarHBondContact O-N 3.25Å; E114-D118 WeakPolarHBondContact O-CB 3.32Å; E114-D118 PolarHBondContact O-N 2.89Å
115S93.8Very high94.8Very high13 Ų1352 Ų529%0.09125%0.251CS..Hα-helixtrans-60.3-37.7175.3-166.70000112.7S56 E57 E111 Y113 L119S56-S115 PolarHBondContact OG-OG 2.83Å; E57-S115 VanDerWaalsContact CD-OG 3.23Å; E57-S115 WeakPolarHBondContact OE1-CB 3.42Å; E57-S115 PolarHBondContact OE1-OG 3.23Å; E57-S115 PolarHBondContact OE2-OG 3.1Å; E111-S115 WeakPolarHBondContact O-CB 3.34Å; E111-S115 PolarHBondContact O-N 2.59Å; Y113-S115 PolarHBondContact O-N 2.84Å; S115-L119 WeakPolarHBondContact O-CB 3.37Å; S115-L119 PolarHBondContact O-N 3.19Å
116L94.7Very high94.6Very high4 Ų455.1 Ų55.12%0.02126%0.262CS..Hα-helixtrans-68.9-40.9178.5178.8153.1000112M106 S112 Y113 E114 Q120 F138 M228 C251M106-L116 HydrophobicContact CE-CD1 4.49Å; S112-L116 VanDerWaalsContact O-CB 3.32Å; S112-L116 WeakPolarHBondContact O-CB 2.99Å; S112-L116 PolarHBondContact O-N 3.21Å; S112-L116 VanDerWaalsContact O-N 3.11Å; Y113-L116 PolarHBondContact O-N 3.34Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 3.35Å; L116-Q120 PolarHBondContact O-N 3.29Å; L116-Q120 VanDerWaalsContact O-N 3.15Å; L116-F138 HydrophobicContact CD2-CD2 3.36Å; L116-F138 HydrophobicContact CD2-CE2 3.16Å; L116-F138 HydrophobicContact CD2-CG 4.18Å; L116-F138 HydrophobicContact CD2-CZ 3.86Å; L116-F138 HydrophobicContact CG-CE2 3.97Å; L116-F138 HydrophobicContact CG-CZ 4.23Å; L116-M228 HydrophobicContact CD1-CE 3.93Å; L116-M228 HydrophobicContact CD1-SD 4.26Å; L116-C251 HydrophobicContact CD1-CB 4.24Å; L116-C251 VanDerWaalsContact CD1-SG 3.58Å
117I95.2Very high94.5Very high47 Ų4756.6 Ų56.624%0.24127%0.27CS..Hα-helixtrans-67.3-44.2175-61-58.7000110.5Y113 E114 L119 Q120 E121 F138Y113-I117 HydrophobicContact CE1-CG1 4.17Å; Y113-I117 HydrophobicContact CE2-CD1 4.32Å; Y113-I117 HydrophobicContact CE2-CG1 4.28Å; Y113-I117 WeakPolarHBondContact O-CG1 3.11Å; Y113-I117 PolarHBondContact O-N 3.23Å; Y113-I117 VanDerWaalsContact O-N 3.07Å; E114-I117 PolarHBondContact O-N 3.25Å; I117-L119 VanDerWaalsContact C-N 3.35Å; I117-L119 PolarHBondContact O-N 3.14Å; I117-Q120 WeakPolarHBondContact O-CB 3.47Å; I117-Q120 PolarHBondContact O-N 3.12Å; I117-Q120 VanDerWaalsContact O-N 3.14Å; I117-E121 PolarHBondContact O-N 3.11Å; I117-F138 HydrophobicContact CD1-CD2 4.44Å
118D94.9Very high94.5Very high61 Ų6151.1 Ų51.133%0.32624%0.244SC..Hα-helixtrans-59.4-43.3176.3176.757.2000112E114 Q120 E121 K122E114-D118 WeakPolarHBondContact O-CB 3.32Å; E114-D118 PolarHBondContact O-N 2.89Å; D118-Q120 VanDerWaalsContact C-N 3.34Å; D118-Q120 PolarHBondContact O-N 3.17Å; D118-E121 PolarHBondContact O-N 2.98Å; D118-K122 WeakPolarHBondContact O-CB 3.46Å; D118-K122 WeakPolarHBondContact O-CG 3.42Å; D118-K122 PolarHBondContact O-N 2.67Å; D118-K122 VanDerWaalsContact OD1-CE 3.3Å; D118-K122 WeakPolarHBondContact OD1-CE 3.38Å; D118-K122 IonicContact OD1-NZ 2.67Å; D118-K122 WeakPolarHBondContact OD2-CE 3.38Å; D118-K122 IonicContact OD2-NZ 3.75Å; D118-K122 PolarHBondContact OD2-NZ 3.39Å
119L95.8Very high94.5Very high1 Ų158.2 Ų58.21%0.00527%0.27CS..Hα-helixtrans-59.9-43.5174.5176.459.6000112L54 S115 I117 E121 K122 L123 L247 T250L54-L119 HydrophobicContact CB-CD1 3.92Å; S115-L119 WeakPolarHBondContact O-CB 3.37Å; S115-L119 PolarHBondContact O-N 3.19Å; I117-L119 VanDerWaalsContact C-N 3.35Å; I117-L119 PolarHBondContact O-N 3.14Å; L119-E121 PolarHBondContact O-N 3.06Å; L119-K122 PolarHBondContact O-N 3.5Å; L119-L123 HydrophobicContact CD1-CD1 3.85Å; L119-L123 HydrophobicContact CD1-CG 4Å; L119-L123 HydrophobicContact CG-CD1 3.95Å; L119-L123 HydrophobicContact CG-CG 4.5Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.42Å; L119-L123 PolarHBondContact O-N 3.19Å; L119-L247 HydrophobicContact CD2-CD2 3.92Å; L119-L247 HydrophobicContact CG-CD2 4.05Å; L119-T250 HydrophobicContact CD2-CG2 3.85Å
120Q96.7Very high94.6Very high25 Ų2558.9 Ų58.912%0.11727%0.266CS..Hα-helixtrans-60.4-45.8177.2-177.5-172.530.300111.4L116 I117 D118 L123 H124 I136 F138L116-Q120 PolarHBondContact O-N 3.29Å; L116-Q120 VanDerWaalsContact O-N 3.15Å; I117-Q120 WeakPolarHBondContact O-CB 3.47Å; I117-Q120 PolarHBondContact O-N 3.12Å; I117-Q120 VanDerWaalsContact O-N 3.14Å; D118-Q120 VanDerWaalsContact C-N 3.34Å; D118-Q120 PolarHBondContact O-N 3.17Å; Q120-L123 PolarHBondContact O-N 2.95Å; Q120-H124 WeakPolarHBondContact O-CB 3.44Å; Q120-H124 VanDerWaalsContact O-CG 3.31Å; Q120-H124 PolarHBondContact O-N 3.46Å; Q120-I136 HydrophobicContact CG-CB 4.1Å; Q120-I136 HydrophobicContact CG-CD1 4.11Å; Q120-I136 HydrophobicContact CG-CG2 4.19Å; Q120-I136 PolarHBondContact NE2-O 3.39Å; Q120-F138 HydrophobicContact CB-CE2 3.56Å; Q120-F138 HydrophobicContact CB-CZ 3.93Å; Q120-F138 VanDerWaalsContact CD-CE2 3.49Å; Q120-F138 HydrophobicContact CG-CE2 3.84Å; Q120-F138 HydrophobicContact CG-CZ 4.19Å
121E95.3Very high94.8Very high94 Ų9454 Ų5444%0.43925%0.248SC..Hα-helixtrans-64.7-44.2179.3-70.6-168.7177.500112.2I117 D118 L119 L123 H124 H125I117-E121 PolarHBondContact O-N 3.11Å; D118-E121 PolarHBondContact O-N 2.98Å; L119-E121 PolarHBondContact O-N 3.06Å; E121-L123 PolarHBondContact O-N 2.86Å; E121-H124 WeakPolarHBondContact O-CB 3.43Å; E121-H124 PolarHBondContact O-N 2.79Å; E121-H125 PolarHBondContact O-N 2.94Å
122K95.7Very high95Very high76 Ų7648.2 Ų48.233%0.3323%0.226SC..Hα-helixtrans-60.6-44.5175.9-75.5172.2174.2167.10112.1L54 D118 L119 H125 N126L54-K122 HydrophobicContact CB-CB 4.46Å; L54-K122 HydrophobicContact CB-CD 4.39Å; L54-K122 WeakPolarHBondContact O-CD 3.49Å; L54-K122 PolarHBondContact O-NZ 2.95Å; D118-K122 WeakPolarHBondContact O-CB 3.46Å; D118-K122 WeakPolarHBondContact O-CG 3.42Å; D118-K122 PolarHBondContact O-N 2.67Å; D118-K122 VanDerWaalsContact OD1-CE 3.3Å; D118-K122 WeakPolarHBondContact OD1-CE 3.38Å; D118-K122 IonicContact OD1-NZ 2.67Å; D118-K122 WeakPolarHBondContact OD2-CE 3.38Å; D118-K122 IonicContact OD2-NZ 3.75Å; D118-K122 PolarHBondContact OD2-NZ 3.39Å; L119-K122 PolarHBondContact O-N 3.5Å; K122-H125 PolarHBondContact O-N 2.74Å; K122-N126 WeakPolarHBondContact O-CB 3.41Å; K122-N126 PolarHBondContact O-N 2.73Å; K122-N126 PolarHBondContact O-ND2 2.58Å
123L96.7Very high95.2Very high0 Ų049.7 Ų49.70%023%0.234CC..Hα-helixtrans-64.7-43.5175.3-71.6170.5000111.4C51 L54 L119 Q120 E121 H125 N126 I127 C128 I136 V243 T246 L247C51-L123 HydrophobicContact CB-CD2 4.38Å; L54-L123 HydrophobicContact CD1-CD2 3.74Å; L54-L123 HydrophobicContact CD1-CG 4.33Å; L119-L123 HydrophobicContact CD1-CD1 3.85Å; L119-L123 HydrophobicContact CD1-CG 4Å; L119-L123 HydrophobicContact CG-CD1 3.95Å; L119-L123 HydrophobicContact CG-CG 4.5Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.42Å; L119-L123 PolarHBondContact O-N 3.19Å; Q120-L123 PolarHBondContact O-N 2.95Å; E121-L123 PolarHBondContact O-N 2.86Å; L123-H125 VanDerWaalsContact C-N 3.3Å; L123-H125 PolarHBondContact O-N 3.32Å; L123-N126 PolarHBondContact O-N 3.39Å; L123-I127 HydrophobicContact CB-CG2 4.41Å; L123-I127 HydrophobicContact CD2-CG2 3.83Å; L123-I127 PolarHBondContact O-N 2.85Å; L123-C128 WeakPolarHBondContact O-CB 3.39Å; L123-C128 PolarHBondContact O-N 3.14Å; L123-C128 VanDerWaalsContact O-N 3.12Å; L123-C128 PolarHBondContact O-SG 3.4Å; L123-I136 HydrophobicContact CB-CD1 3.84Å; L123-I136 HydrophobicContact CD1-CD1 4.23Å; L123-V243 HydrophobicContact CD1-CG1 4.49Å; L123-T246 HydrophobicContact CD1-CG2 4.36Å; L123-T246 HydrophobicContact CD2-CG2 4.36Å; L123-L247 HydrophobicContact CD1-CD2 3.68Å; L123-L247 HydrophobicContact CD1-CG 3.81Å
124H96.6Very high95.4Very high5 Ų546.9 Ų46.92%0.02322%0.223CC..Hα-helixtrans-57.2-41.5174.9-80.9175.7000112.5Q120 E121 C128 K130 R131 I136Q120-H124 WeakPolarHBondContact O-CB 3.44Å; Q120-H124 VanDerWaalsContact O-CG 3.31Å; Q120-H124 PolarHBondContact O-N 3.46Å; E121-H124 WeakPolarHBondContact O-CB 3.43Å; E121-H124 PolarHBondContact O-N 2.79Å; H124-C128 WeakPolarHBondContact O-CB 3.47Å; H124-K130 WeakPolarHBondContact O-CA 3.43Å; H124-K130 PolarHBondContact O-N 2.89Å; H124-R131 HydrophobicContact CB-CG 3.93Å; H124-R131 PolarHBondContact CE1-NE 3.13Å; H124-R131 PolarHBondContact ND1-NE 3.05Å; H124-R131 PolarHBondContact O-N 2.86Å; H124-R131 VanDerWaalsContact O-N 3.14Å; H124-I136 PolarHBondContact CE1-O 3.36Å; H124-I136 VanDerWaalsContact NE2-CB 3.27Å; H124-I136 WeakPolarHBondContact NE2-CB 3.27Å; H124-I136 PolarHBondContact NE2-N 2.76Å; H124-I136 PolarHBondContact NE2-O 3.19Å
125H93.2Very high95.6Very high100 Ų10042.9 Ų42.946%0.46321%0.205SC..Hα-helixtrans-70.5-47.4-179.1-161.993.9000111.7E121 K122 L123 K130E121-H125 PolarHBondContact O-N 2.94Å; K122-H125 PolarHBondContact O-N 2.74Å; L123-H125 VanDerWaalsContact C-N 3.3Å; L123-H125 PolarHBondContact O-N 3.32Å; H125-K130 PolarHBondContact O-N 3.04Å
126N91.8Very high95.8Very high87 Ų8742.5 Ų42.547%0.46520%0.202SC..THydrogen-bonded Turntrans-87.2-92.3-169.8-66.8-29.9000112.5K122 L123 C128 R129K122-N126 WeakPolarHBondContact O-CB 3.41Å; K122-N126 PolarHBondContact O-N 2.73Å; K122-N126 PolarHBondContact O-ND2 2.58Å; L123-N126 PolarHBondContact O-N 3.39Å; N126-C128 PolarHBondContact O-N 3.17Å; N126-R129 PolarHBondContact O-N 2.85Å
127I94.1Very high96Very high31 Ų3142.3 Ų42.316%0.15920%0.201CC..THydrogen-bonded Turntrans-60.7-32.4-172-170.1167.5000112.9L123 R129 R239 I242 V243L123-I127 HydrophobicContact CB-CG2 4.41Å; L123-I127 HydrophobicContact CD2-CG2 3.83Å; L123-I127 PolarHBondContact O-N 2.85Å; I127-R129 VanDerWaalsContact C-N 3.31Å; I127-R129 PolarHBondContact O-N 2.84Å; I127-R239 PolarHBondContact O-NH1 2.64Å; I127-I242 HydrophobicContact CD1-CB 4.31Å; I127-I242 HydrophobicContact CD1-CG2 3.54Å; I127-V243 HydrophobicContact CG2-CG2 3.61Å
128C96.3Very high96.1Very high0 Ų040.6 Ų40.60%019%0.192CC..THydrogen-bonded Turntrans-79.3-8.3178.1-630000114.1L123 H124 N126 R131 A132 L133 V134L123-C128 WeakPolarHBondContact O-CB 3.39Å; L123-C128 PolarHBondContact O-N 3.14Å; L123-C128 VanDerWaalsContact O-N 3.12Å; L123-C128 PolarHBondContact O-SG 3.4Å; H124-C128 WeakPolarHBondContact O-CB 3.47Å; N126-C128 PolarHBondContact O-N 3.17Å; C128-R131 CarbonylContact O-C 3.25Å; C128-R131 PolarHBondContact O-N 2.8Å; C128-A132 PolarHBondContact O-N 2.91Å; C128-L133 PolarHBondContact O-N 2.94Å; C128-V134 HydrophobicContact CB-CB 4.22Å; C128-V134 VanDerWaalsContact CB-O 3.3Å; C128-V134 WeakPolarHBondContact CB-O 3.23Å
129R95.2Very high96.2Very high162 Ų16237.7 Ų37.761%0.61118%0.176SC*.THydrogen-bonded Turntrans49.166.5-174.4-67.9-168174.4-179.7-1.9113.1N126 I127 R131 A132 L133N126-R129 PolarHBondContact O-N 2.85Å; I127-R129 VanDerWaalsContact C-N 3.31Å; I127-R129 PolarHBondContact O-N 2.84Å; R129-R131 VanDerWaalsContact C-N 3.31Å; R129-R131 PolarHBondContact O-N 3.16Å; R129-A132 WeakPolarHBondContact O-CB 3.2Å; R129-A132 PolarHBondContact O-N 3.49Å; R129-A132 VanDerWaalsContact O-N 3.08Å; R129-L133 HydrophobicContact CB-CD1 4.29Å; R129-L133 HydrophobicContact CB-CG 4.37Å; R129-L133 HydrophobicContact CG-CD1 3.97Å
130K95.5Very high96.3Very high95 Ų9538.4 Ų38.441%0.41318%0.18SC..THydrogen-bonded Turntrans50.850.5-176.9-63.5-173178.5-166.10112H124 H125 A132 Y187 I190H124-K130 WeakPolarHBondContact O-CA 3.43Å; H124-K130 PolarHBondContact O-N 2.89Å; H125-K130 PolarHBondContact O-N 3.04Å; K130-A132 PolarHBondContact O-N 2.9Å; K130-Y187 HydrophobicContact CB-CD1 4.43Å; K130-Y187 HydrophobicContact CB-CE1 3.9Å; K130-Y187 VanDerWaalsContact O-CD1 3.23Å; K130-Y187 WeakPolarHBondContact O-CD1 3.26Å; K130-Y187 WeakPolarHBondContact O-CE1 3.41Å; K130-I190 WeakPolarHBondContact O-CD1 3.28Å
131R97Very high96.4Very high27 Ų2738.1 Ų38.110%0.10218%0.179CC..THydrogen-bonded Turntrans63.4-2.7-177.7-50-178.3-176.5171.44.9116.9R95 H124 C128 R129 L133 V134 A135 Y187 I190 P212 I213R95-R131 PolarHBondContact NH1-O 2.98Å; R95-R131 PolarHBondContact NH2-O 3.49Å; H124-R131 HydrophobicContact CB-CG 3.93Å; H124-R131 PolarHBondContact CE1-NE 3.13Å; H124-R131 PolarHBondContact ND1-NE 3.05Å; H124-R131 PolarHBondContact O-N 2.86Å; H124-R131 VanDerWaalsContact O-N 3.14Å; C128-R131 CarbonylContact O-C 3.25Å; C128-R131 PolarHBondContact O-N 2.8Å; R129-R131 VanDerWaalsContact C-N 3.31Å; R129-R131 PolarHBondContact O-N 3.16Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.43Å; R131-V134 CarbonylContact C-O 3.37Å; R131-V134 VanDerWaalsContact CA-O 3.24Å; R131-V134 WeakPolarHBondContact CA-O 3.31Å; R131-A135 HydrophobicContact CB-CB 4.35Å; R131-Y187 HydrophobicContact CB-CD1 4.22Å; R131-Y187 HydrophobicContact CB-CE1 4.44Å; R131-Y187 HydrophobicContact CG-CD1 4.13Å; R131-Y187 HydrophobicContact CG-CE1 3.96Å; R131-I190 HydrophobicContact CB-CD1 4.2Å; R131-P212 HydrophobicContact CB-CB 4.03Å; R131-P212 VanDerWaalsContact CD-O 3.23Å; R131-P212 WeakPolarHBondContact CD-O 3.27Å; R131-P212 PolarHBondContact NH1-O 3.38Å; R131-I213 PolarHBondContact NH1-O 2.69Å
132A96.5Very high96.5Very high33 Ų3338.3 Ų38.327%0.27318%0.183SC..THydrogen-bonded Turntrans-61.1-40.7-176.800000111.9R95 C128 R129 K130 L235R95-A132 PolarHBondContact NH2-O 3.34Å; C128-A132 PolarHBondContact O-N 2.91Å; R129-A132 WeakPolarHBondContact O-CB 3.2Å; R129-A132 PolarHBondContact O-N 3.49Å; R129-A132 VanDerWaalsContact O-N 3.08Å; K130-A132 PolarHBondContact O-N 2.9Å; A132-L235 WeakPolarHBondContact O-CD1 3.49Å
133L97.1Very high96.5Very high34 Ų3437.1 Ų37.118%0.17818%0.182CC..SBendtrans-93-39.7-178-64.1177.8000113.5C128 R129 R131 A234 L235 R239C128-L133 PolarHBondContact O-N 2.94Å; R129-L133 HydrophobicContact CB-CD1 4.29Å; R129-L133 HydrophobicContact CB-CG 4.37Å; R129-L133 HydrophobicContact CG-CD1 3.97Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.43Å; L133-A234 CarbonylContact O-C 3.57Å; L133-A234 WeakPolarHBondContact O-CA 3.08Å; L133-A234 WeakPolarHBondContact O-CB 3.45Å; L133-L235 HydrophobicContact CD2-CB 4.48Å; L133-L235 HydrophobicContact CD2-CD1 4.49Å; L133-L235 PolarHBondContact O-N 3.32Å; L133-R239 VanDerWaalsContact CD1-CZ 3.43Å
134V98Very high96.5Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-140.9137.3-178.9-178.60000108.6C128 R131 C232 T233 A234 R239 A240 V243C128-V134 HydrophobicContact CB-CB 4.22Å; C128-V134 VanDerWaalsContact CB-O 3.3Å; C128-V134 WeakPolarHBondContact CB-O 3.23Å; R131-V134 CarbonylContact C-O 3.37Å; R131-V134 VanDerWaalsContact CA-O 3.24Å; R131-V134 WeakPolarHBondContact CA-O 3.31Å; V134-C232 HydrophobicContact CG1-CB 4.03Å; V134-T233 CarbonylContact C-O 3.54Å; V134-T233 WeakPolarHBondContact CA-O 3.24Å; V134-A234 HydrophobicContact CB-CB 4.36Å; V134-A234 HydrophobicContact CG1-CB 4.46Å; V134-A234 HydrophobicContact CG2-CB 3.87Å; V134-R239 HydrophobicContact CG2-CB 3.7Å; V134-A240 HydrophobicContact CG1-CB 4.3Å; V134-A240 HydrophobicContact CG2-CB 4.24Å; V134-V243 HydrophobicContact CG1-CB 4.3Å; V134-V243 HydrophobicContact CG1-CG1 4.24Å; V134-V243 HydrophobicContact CG1-CG2 4.35Å
135A98.1Very high96.4Very high5 Ų543.6 Ų43.64%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-125.7120.8173.200000109.1R131 P212 C232 T233R131-A135 HydrophobicContact CB-CB 4.35Å; A135-P212 HydrophobicContact CB-CB 3.5Å; A135-C232 CarbonylContact O-C 3.59Å; A135-C232 VanDerWaalsContact O-CA 3.32Å; A135-C232 WeakPolarHBondContact O-CA 3.32Å; A135-T233 PolarHBondContact N-O 3.41Å; A135-T233 PolarHBondContact O-N 3.21Å
136I98.4Very high96.3Very high6 Ų640.9 Ų40.93%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-91.2135.8179.5-50.2155.3000108.8Q120 L123 H124 F138 I230 E231 V243 L247Q120-I136 HydrophobicContact CG-CB 4.1Å; Q120-I136 HydrophobicContact CG-CD1 4.11Å; Q120-I136 HydrophobicContact CG-CG2 4.19Å; Q120-I136 PolarHBondContact NE2-O 3.39Å; L123-I136 HydrophobicContact CB-CD1 3.84Å; L123-I136 HydrophobicContact CD1-CD1 4.23Å; H124-I136 PolarHBondContact CE1-O 3.36Å; H124-I136 VanDerWaalsContact NE2-CB 3.27Å; H124-I136 WeakPolarHBondContact NE2-CB 3.27Å; H124-I136 PolarHBondContact NE2-N 2.76Å; H124-I136 PolarHBondContact NE2-O 3.19Å; I136-F138 HydrophobicContact CG2-CD1 4.26Å; I136-F138 HydrophobicContact CG2-CE1 3.78Å; I136-F138 HydrophobicContact CG2-CZ 4.09Å; I136-I230 HydrophobicContact CG2-CG2 4.3Å; I136-E231 CarbonylContact C-O 3.58Å; I136-E231 WeakPolarHBondContact CA-O 2.95Å; I136-V243 HydrophobicContact CD1-CG1 3.51Å; I136-V243 HydrophobicContact CG1-CG1 3.43Å; I136-V243 VanDerWaalsContact CG1-CG1 3.43Å; I136-L247 HydrophobicContact CB-CD1 4.31Å; I136-L247 HydrophobicContact CD1-CD1 3.8Å; I136-L247 HydrophobicContact CG1-CD1 3.91Å; I136-L247 HydrophobicContact CG2-CD1 3.42Å; I136-L247 VanDerWaalsContact CG2-CD1 3.42Å
137G97.6Very high96.5Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-120.5162.3157.600000112.6N215 E231G137-N215 VanDerWaalsContact CA-ND2 3.32Å; G137-N215 WeakPolarHBondContact CA-ND2 3.49Å; G137-E231 VanDerWaalsContact CA-CD 3.42Å; G137-E231 WeakPolarHBondContact CA-OE1 3.27Å; G137-E231 WeakPolarHBondContact CA-OE2 3.47Å; G137-E231 PolarHBondContact N-O 3.05Å; G137-E231 PolarHBondContact N-OE1 2.98Å; G137-E231 PolarHBondContact N-OE2 3.37Å; G137-E231 PolarHBondContact O-N 3.11Å
138F97.8Very high96.7Very high11 Ų1139.2 Ų39.25%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-125.9134.5169.9-58.5-46.4000107.9L116 I117 Q120 I136 N215 V221 M228 I230 L247L116-F138 HydrophobicContact CD2-CD2 3.36Å; L116-F138 HydrophobicContact CD2-CE2 3.16Å; L116-F138 HydrophobicContact CD2-CG 4.18Å; L116-F138 HydrophobicContact CD2-CZ 3.86Å; L116-F138 HydrophobicContact CG-CE2 3.97Å; L116-F138 HydrophobicContact CG-CZ 4.23Å; I117-F138 HydrophobicContact CD1-CD2 4.44Å; Q120-F138 HydrophobicContact CB-CE2 3.56Å; Q120-F138 HydrophobicContact CB-CZ 3.93Å; Q120-F138 VanDerWaalsContact CD-CE2 3.49Å; Q120-F138 HydrophobicContact CG-CE2 3.84Å; Q120-F138 HydrophobicContact CG-CZ 4.19Å; I136-F138 HydrophobicContact CG2-CD1 4.26Å; I136-F138 HydrophobicContact CG2-CE1 3.78Å; I136-F138 HydrophobicContact CG2-CZ 4.09Å; F138-N215 PolarHBondContact N-ND2 2.78Å; F138-V221 HydrophobicContact CB-CG2 3.81Å; F138-M228 HydrophobicContact CB-SD 4.06Å; F138-M228 HydrophobicContact CD1-CE 4.23Å; F138-M228 HydrophobicContact CD1-SD 4.25Å; F138-M228 HydrophobicContact CG-SD 4.24Å; F138-I230 HydrophobicContact CD1-CB 4.35Å; F138-I230 HydrophobicContact CD1-CD1 4.46Å; F138-I230 HydrophobicContact CD1-CG1 3.93Å; F138-I230 HydrophobicContact CD1-CG2 3.98Å; F138-I230 HydrophobicContact CE1-CD1 4.19Å; F138-I230 HydrophobicContact CE1-CG1 4.13Å; F138-I230 HydrophobicContact CE1-CG2 3.84Å; F138-L247 HydrophobicContact CE1-CD1 4.13Å; F138-L247 HydrophobicContact CE1-CD2 4.14Å; F138-L247 HydrophobicContact CZ-CD1 4.4Å; F138-L247 HydrophobicContact CZ-CD2 3.74Å
139H98.1Very high96.8Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-133.1133.4-175.9-63.5-64.5000111.1L141 L144 L208 N215 S219 M228 L229 E231H139-L141 PolarHBondContact O-N 3.44Å; H139-L141 VanDerWaalsContact O-N 3.12Å; H139-L144 HydrophobicContact CB-CD1 3.87Å; H139-L208 PolarHBondContact CE1-O 3.36Å; H139-N215 PolarHBondContact CE1-ND2 3.34Å; H139-S219 CarbonylContact C-O 3.34Å; H139-S219 VanDerWaalsContact CA-O 3.29Å; H139-S219 WeakPolarHBondContact CA-O 3.45Å; H139-S219 PolarHBondContact ND1-OG 2.75Å; H139-M228 CarbonylContact O-C 3.47Å; H139-M228 WeakPolarHBondContact O-CA 3.04Å; H139-L229 HydrophobicContact CB-CB 4.2Å; H139-L229 PolarHBondContact N-O 3.11Å; H139-L229 PolarHBondContact O-N 3.28Å; H139-E231 VanDerWaalsContact CD2-CD 3.42Å; H139-E231 IonicContact CD2-OE1 2.7Å; H139-E231 IonicContact CD2-OE2 2.76Å; H139-E231 PolarHBondContact CD2-OE2 2.82Å; H139-E231 IonicContact NE2-OE1 3.07Å; H139-E231 PolarHBondContact NE2-OE1 2.89Å; H139-E231 IonicContact NE2-OE2 2.87Å; H139-E231 PolarHBondContact NE2-OE2 2.62Å
140D97.9Very high96.9Very high16 Ų1635 Ų359%0.08620%0.195CC..EExtended strand (participates in β ladder)trans-68.9105.5167.1-168.3-35000109D142 T143 S219 T225D140-D142 PolarHBondContact O-N 3.11Å; D140-D142 WeakPolarHBondContact OD1-CB 3.26Å; D140-D142 PolarHBondContact OD1-N 3.44Å; D140-T143 HydrophobicContact CB-CG2 3.99Å; D140-T143 PolarHBondContact O-N 3.33Å; D140-T143 PolarHBondContact O-OG1 2.62Å; D140-S219 PolarHBondContact N-O 3.48Å; D140-T225 HydrophobicContact CB-CG2 4Å; D140-T225 WeakPolarHBondContact OD2-CB 3.48Å; D140-T225 WeakPolarHBondContact OD2-CG2 3.5Å; D140-T225 PolarHBondContact OD2-OG1 3.08Å
141L97.3Very high97Very high19 Ų1930.9 Ų30.910%0.09918%0.178CC..G310 helixtrans-66.3-27.6-174.5-179.360.5000111.8V83 V102 H139 T143 L144 F148 N227 L229V83-L141 HydrophobicContact CG2-CD1 4.34Å; V83-L141 HydrophobicContact CG2-CD2 4.39Å; V102-L141 HydrophobicContact CG1-CD2 3.71Å; V102-L141 HydrophobicContact CG2-CD2 4Å; H139-L141 PolarHBondContact O-N 3.44Å; H139-L141 VanDerWaalsContact O-N 3.12Å; L141-T143 PolarHBondContact O-N 3.44Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-L144 VanDerWaalsContact O-N 3.13Å; L141-F148 HydrophobicContact CD1-CE2 4.31Å; L141-F148 HydrophobicContact CD1-CZ 4.07Å; L141-N227 HydrophobicContact CB-CB 4.03Å; L141-N227 WeakPolarHBondContact CB-O 3.49Å; L141-N227 HydrophobicContact CD2-CB 4.3Å; L141-N227 PolarHBondContact N-O 3.12Å; L141-L229 HydrophobicContact CB-CB 4.36Å; L141-L229 HydrophobicContact CD1-CB 4.23Å
142D97.1Very high97.1Very high97 Ų9729.6 Ų29.652%0.51917%0.173SC..G310 helixtrans-71-17.5-177.9-63.5-39.4000112.2D140 N227D140-D142 PolarHBondContact O-N 3.11Å; D140-D142 WeakPolarHBondContact OD1-CB 3.26Å; D140-D142 PolarHBondContact OD1-N 3.44Å; D142-N227 PolarHBondContact OD1-ND2 3.19Å; D142-N227 PolarHBondContact OD2-N 3.24Å; D142-N227 PolarHBondContact OD2-ND2 2.86Å; D142-N227 VanDerWaalsContact OD2-ND2 3.15Å
143T96.7Very high97.1Very high51 Ų5131.9 Ų31.931%0.31318%0.177SC..G310 helixtrans-85.6-11.417568.70000113.4D140 L141 H218 S219D140-T143 HydrophobicContact CB-CG2 3.99Å; D140-T143 PolarHBondContact O-N 3.33Å; D140-T143 PolarHBondContact O-OG1 2.62Å; L141-T143 PolarHBondContact O-N 3.44Å; T143-H218 PolarHBondContact O-NE2 3.23Å; T143-H218 PolarHBondContact OG1-O 3.27Å; T143-S219 WeakPolarHBondContact OG1-CA 3.45Å
144L95.9Very high97.1Very high15 Ų1532 Ų328%0.07918%0.18CC..  trans-115.4158.7-167.7-66.9172000112.7H139 L141 F148 D202 L208H139-L144 HydrophobicContact CB-CD1 3.87Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-L144 VanDerWaalsContact O-N 3.13Å; L144-F148 HydrophobicContact CB-CE1 3.89Å; L144-F148 HydrophobicContact CB-CZ 3.97Å; L144-F148 HydrophobicContact CD1-CE1 4.13Å; L144-F148 HydrophobicContact CD1-CZ 4.35Å; L144-F148 HydrophobicContact CG-CE1 4.48Å; L144-D202 HydrophobicContact CD2-CB 4.27Å; L144-L208 HydrophobicContact CD1-CD1 4.36Å; L144-L208 HydrophobicContact CD1-CD2 3.73Å; L144-L208 HydrophobicContact CD1-CG 3.72Å; L144-L208 HydrophobicContact CD2-CD1 3.82Å; L144-L208 HydrophobicContact CD2-CG 3.89Å; L144-L208 HydrophobicContact CG-CG 4.46Å
145K95Very high97Very high127 Ų12733 Ų3355%0.55219%0.186SC*.  trans-125.5126.5171-63.7-169.3-177.4175.50112.6D202 S203K145-D202 PolarHBondContact N-OD2 3.05Å; K145-D202 VanDerWaalsContact O-CB 3.25Å; K145-D202 WeakPolarHBondContact O-CB 3.31Å; K145-S203 WeakPolarHBondContact CB-OG 3.32Å; K145-S203 PolarHBondContact O-N 3.43Å; K145-S203 PolarHBondContact O-OG 3.21Å
146G91Very high97Very high43 Ų4338 Ų3844%0.44321%0.212SC..SBendtrans-79.6166.717300000113.3S203G146-S203 PolarHBondContact O-OG 3.14Å
147P95.6Very high96.9Very high81 Ų8142.7 Ų42.753%0.52624%0.237SC..SBendcis-73.7156.3-0.231.7-36000112.7S203P147-S203 PolarHBondContact O-N 3.03Å
148F98.2Very high96.9Very high2 Ų242.7 Ų42.71%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-95.9152.7178.1-58.8-73.5000111.4V83 T84 V85 S86 L141 L144 Y201 D202 L208 L229V83-F148 HydrophobicContact CG1-CD2 3.52Å; V83-F148 HydrophobicContact CG1-CE2 3.41Å; V83-F148 VanDerWaalsContact CG1-CE2 3.41Å; T84-F148 PolarHBondContact O-N 2.89Å; V85-F148 WeakPolarHBondContact CA-O 3.48Å; V85-F148 HydrophobicContact CG1-CB 4.44Å; V85-F148 HydrophobicContact CG2-CB 4.12Å; V85-F148 HydrophobicContact CG2-CD2 4.36Å; S86-F148 PolarHBondContact N-O 3.25Å; L141-F148 HydrophobicContact CD1-CE2 4.31Å; L141-F148 HydrophobicContact CD1-CZ 4.07Å; L144-F148 HydrophobicContact CB-CE1 3.89Å; L144-F148 HydrophobicContact CB-CZ 3.97Å; L144-F148 HydrophobicContact CD1-CE1 4.13Å; L144-F148 HydrophobicContact CD1-CZ 4.35Å; L144-F148 HydrophobicContact CG-CE1 4.48Å; F148-Y201 CarbonylContact C-O 3.58Å; F148-Y201 WeakPolarHBondContact CA-O 3.31Å; F148-D202 HydrophobicContact CD1-CB 3.97Å; F148-D202 HydrophobicContact CE1-CB 3.83Å; F148-L208 HydrophobicContact CD1-CD1 3.92Å; F148-L208 HydrophobicContact CD1-CD2 3.71Å; F148-L208 HydrophobicContact CD1-CG 4.47Å; F148-L208 HydrophobicContact CE1-CD1 4.07Å; F148-L208 HydrophobicContact CE1-CD2 3.78Å; F148-L208 HydrophobicContact CE1-CG 4.45Å; F148-L208 HydrophobicContact CG-CD2 4.48Å; F148-L229 HydrophobicContact CD2-CD2 4.18Å; F148-L229 HydrophobicContact CE1-CD2 4.45Å; F148-L229 HydrophobicContact CE2-CD2 3.77Å; F148-L229 HydrophobicContact CZ-CD2 3.93Å
149L98.1Very high96.8Very high72 Ų7245.5 Ų45.538%0.37726%0.257SS..EExtended strand (participates in β ladder)trans-126.5118.7178.7175.766.4000110.4S86 D88 T151 I200 Y201S86-L149 CarbonylContact O-C 3.51Å; S86-L149 WeakPolarHBondContact O-CA 3.32Å; D88-L149 HydrophobicContact CB-CD1 4.33Å; L149-T151 HydrophobicContact CD2-CG2 4.13Å; L149-T151 HydrophobicContact CG-CG2 4.16Å; L149-I200 CarbonylContact O-C 3.55Å; L149-I200 WeakPolarHBondContact O-CA 3.45Å; L149-Y201 PolarHBondContact N-O 2.82Å; L149-Y201 PolarHBondContact O-N 3.24Å
150Y98.4Very high96.8Very high0 Ų046 Ų460%026%0.259CS..EExtended strand (participates in β ladder)trans-97.7114169.3178.6-135.9000109.9S86 V87 D88 V91 R95 I98 P198 I200 T233S86-Y150 PolarHBondContact O-N 3.18Å; V87-Y150 HydrophobicContact CG1-CD1 3.99Å; V87-Y150 HydrophobicContact CG2-CD1 4.46Å; D88-Y150 PolarHBondContact N-O 2.79Å; V91-Y150 HydrophobicContact CB-CD1 4.45Å; V91-Y150 HydrophobicContact CB-CE1 3.92Å; V91-Y150 HydrophobicContact CG1-CD1 3.95Å; V91-Y150 HydrophobicContact CG1-CD2 4.28Å; V91-Y150 HydrophobicContact CG1-CE1 3.77Å; V91-Y150 HydrophobicContact CG1-CE2 4.13Å; V91-Y150 HydrophobicContact CG1-CG 4.2Å; V91-Y150 HydrophobicContact CG2-CD1 4.2Å; V91-Y150 HydrophobicContact CG2-CE1 3.88Å; R95-Y150 VanDerWaalsContact CB-OH 3.29Å; R95-Y150 WeakPolarHBondContact CB-OH 3.37Å; R95-Y150 WeakPolarHBondContact CG-OH 3.4Å; R95-Y150 WeakPolarHBondContact O-CE1 3.25Å; R95-Y150 PolarHBondContact O-OH 3.17Å; I98-Y150 HydrophobicContact CB-CD1 3.73Å; I98-Y150 HydrophobicContact CB-CE1 4.07Å; I98-Y150 HydrophobicContact CB-CG 4.4Å; I98-Y150 HydrophobicContact CD1-CD1 4.26Å; I98-Y150 HydrophobicContact CD1-CG 4.07Å; I98-Y150 HydrophobicContact CG2-CD1 3.64Å; I98-Y150 HydrophobicContact CG2-CE1 4.37Å; I98-Y150 HydrophobicContact CG2-CG 4.3Å; Y150-P198 HydrophobicContact CE2-CB 3.83Å; Y150-I200 HydrophobicContact CD2-CD1 4.38Å; Y150-I200 HydrophobicContact CD2-CG1 3.63Å; Y150-I200 HydrophobicContact CE2-CG1 4.35Å; Y150-I200 HydrophobicContact CG-CG1 4.34Å; Y150-T233 HydrophobicContact CD2-CG2 4.38Å; Y150-T233 HydrophobicContact CE1-CG2 4.32Å; Y150-T233 HydrophobicContact CE2-CG2 3.84Å
151T97.9Very high96.8Very high9 Ų948.3 Ų48.36%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-144.8-179-174-172.90000110.9D88 S90 L149 P198 V199 Y201D88-T151 WeakPolarHBondContact CB-OG1 3.4Å; D88-T151 PolarHBondContact OD1-OG1 2.92Å; S90-T151 PolarHBondContact OG-OG1 3.47Å; L149-T151 HydrophobicContact CD2-CG2 4.13Å; L149-T151 HydrophobicContact CG-CG2 4.16Å; T151-P198 WeakPolarHBondContact O-CA 3.35Å; T151-V199 HydrophobicContact CG2-CG1 3.96Å; T151-V199 PolarHBondContact N-O 3.04Å; T151-V199 PolarHBondContact O-N 3.34Å; T151-V199 VanDerWaalsContact O-O 3.13Å; T151-Y201 HydrophobicContact CG2-CD2 4.07Å; T151-Y201 HydrophobicContact CG2-CE2 4.06Å
152T97.6Very high96.7Very high1 Ų147.4 Ų47.41%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-120.9143.9168.470.40000111.2S90 V91 I94 R196 Y197S90-T152 WeakPolarHBondContact CB-OG1 3.44Å; S90-T152 PolarHBondContact OG-N 3.36Å; S90-T152 PolarHBondContact OG-OG1 3.17Å; V91-T152 HydrophobicContact CB-CG2 4.26Å; V91-T152 HydrophobicContact CG1-CG2 3.82Å; I94-T152 HydrophobicContact CD1-CG2 3.82Å; T152-R196 PolarHBondContact O-NE 3.22Å; T152-R196 PolarHBondContact O-NH2 3.04Å; T152-R196 PolarHBondContact OG1-NE 2.68Å; T152-R196 VanDerWaalsContact OG1-NE 3.15Å; T152-Y197 WeakPolarHBondContact CA-O 3.19Å; T152-Y197 WeakPolarHBondContact CB-O 3.35Å
153K97.4Very high96.5Very high81 Ų8144.6 Ų44.635%0.35225%0.25SS..EExtended strand (participates in β ladder)trans-132.6155176.6-68.4-70.4-176.6172.50110.5D157 I158 R196 Y197 V199 Y201K153-D157 HydrophobicContact CB-CB 4.34Å; K153-I158 HydrophobicContact CB-CD1 3.93Å; K153-I158 HydrophobicContact CB-CG1 3.57Å; K153-I158 HydrophobicContact CG-CG1 4.41Å; K153-R196 CarbonylContact O-C 3.48Å; K153-R196 VanDerWaalsContact O-CA 3.24Å; K153-R196 WeakPolarHBondContact O-CA 3.25Å; K153-Y197 PolarHBondContact N-O 3.11Å; K153-Y197 VanDerWaalsContact N-O 3.07Å; K153-Y197 PolarHBondContact O-N 2.9Å; K153-V199 HydrophobicContact CB-CG1 4.41Å; K153-V199 HydrophobicContact CG-CG1 4.07Å; K153-Y201 HydrophobicContact CG-CE2 4.43Å
154P97.3Very high96.2Very high37 Ų3748.8 Ų48.824%0.2427%0.266CS..  trans-51.9142.1166-23.335.5000110.1D156 D157P154-D156 PolarHBondContact O-N 2.8Å; P154-D157 HydrophobicContact CB-CB 4.47Å; P154-D157 VanDerWaalsContact CD-OD2 3.27Å; P154-D157 WeakPolarHBondContact CD-OD2 3.36Å; P154-D157 WeakPolarHBondContact CG-OD2 3.46Å; P154-D157 WeakPolarHBondContact O-CB 3.32Å; P154-D157 PolarHBondContact O-N 2.93Å
155P96.3Very high96Very high20 Ų2050.9 Ų50.913%0.1328%0.275CS..G310 helixtrans-54.5-36.4-175.8-30.738.1000114.4D157 I158 A171 S172 Y197P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.38Å; P155-I158 PolarHBondContact O-N 2.94Å; P155-A171 HydrophobicContact CB-CB 4.27Å; P155-A171 VanDerWaalsContact O-CB 3.27Å; P155-A171 WeakPolarHBondContact O-CB 3.27Å; P155-A171 PolarHBondContact O-N 2.83Å; P155-A171 VanDerWaalsContact O-N 3.15Å; P155-S172 VanDerWaalsContact CB-OG 3.23Å; P155-S172 WeakPolarHBondContact CB-OG 3.1Å; P155-Y197 HydrophobicContact CB-CD2 3.96Å; P155-Y197 HydrophobicContact CB-CE2 3.78Å; P155-Y197 HydrophobicContact CG-CD1 4.11Å; P155-Y197 HydrophobicContact CG-CD2 3.82Å; P155-Y197 HydrophobicContact CG-CE1 3.93Å; P155-Y197 HydrophobicContact CG-CE2 3.64Å; P155-Y197 HydrophobicContact CG-CG 4.05Å
156D97Very high95.8Very high109 Ų10956 Ų5658%0.58329%0.291SS*.G310 helixtrans-71.5-20.7179.2-62-39.4000113.7P154 I158 S172P154-D156 PolarHBondContact O-N 2.8Å; D156-I158 VanDerWaalsContact C-N 3.34Å; D156-S172 WeakPolarHBondContact OD1-CB 3.07Å; D156-S172 PolarHBondContact OD1-OG 2.88Å
157D96.9Very high96Very high105 Ų10561.1 Ų61.156%0.56130%0.301SS*.G310 helixtrans-85.5-8.4-179.6-68.7-13.6000112.7K153 P154 P155K153-D157 HydrophobicContact CB-CB 4.34Å; P154-D157 HydrophobicContact CB-CB 4.47Å; P154-D157 VanDerWaalsContact CD-OD2 3.27Å; P154-D157 WeakPolarHBondContact CD-OD2 3.36Å; P154-D157 WeakPolarHBondContact CG-OD2 3.46Å; P154-D157 WeakPolarHBondContact O-CB 3.32Å; P154-D157 PolarHBondContact O-N 2.93Å; P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.38Å
158I97.2Very high96Very high0 Ų064.2 Ų64.20%031%0.306CS..  trans-100.6106.5179.8-56.3167.7000108K153 P155 D156 F160 T170 A171 V199K153-I158 HydrophobicContact CB-CD1 3.93Å; K153-I158 HydrophobicContact CB-CG1 3.57Å; K153-I158 HydrophobicContact CG-CG1 4.41Å; P155-I158 PolarHBondContact O-N 2.94Å; D156-I158 VanDerWaalsContact C-N 3.34Å; I158-F160 HydrophobicContact CG2-CD1 4.05Å; I158-F160 HydrophobicContact CG2-CE1 4.22Å; I158-T170 CarbonylContact O-C 3.55Å; I158-T170 WeakPolarHBondContact O-CA 3.29Å; I158-A171 HydrophobicContact CB-CB 3.95Å; I158-A171 HydrophobicContact CD1-CB 4.31Å; I158-A171 HydrophobicContact CG2-CB 4.33Å; I158-A171 PolarHBondContact O-N 2.69Å; I158-V199 HydrophobicContact CD1-CB 4.13Å; I158-V199 HydrophobicContact CD1-CG1 4.16Å; I158-V199 HydrophobicContact CG1-CB 4.49Å; I158-V199 HydrophobicContact CG1-CG1 4.35Å; I158-V199 HydrophobicContact CG2-CG2 4.08Å
159C96.8Very high96Very high70 Ų7066.6 Ų66.647%0.47332%0.315SS..EExtended strand (participates in β ladder)trans-124.9119.1178.8-177.80000111.7Y169C159-Y169 WeakPolarHBondContact CA-O 3.29Å
160F97.4Very high95.9Very high10 Ų1064.6 Ų64.64%0.04431%0.306CS..EExtended strand (participates in β ladder)trans-156168.6-18074-69.3000112.3I158 P162 K168 Y169 L174 V207 M210 I214I158-F160 HydrophobicContact CG2-CD1 4.05Å; I158-F160 HydrophobicContact CG2-CE1 4.22Å; F160-P162 HydrophobicContact CE2-CB 4.07Å; F160-P162 HydrophobicContact CZ-CB 4.37Å; F160-P162 WeakPolarHBondContact O-CD 3.12Å; F160-K168 VanDerWaalsContact O-CA 3.31Å; F160-K168 WeakPolarHBondContact O-CA 2.84Å; F160-Y169 PolarHBondContact N-O 3.03Å; F160-Y169 VanDerWaalsContact N-O 3.13Å; F160-Y169 PolarHBondContact O-N 2.59Å; F160-L174 HydrophobicContact CD1-CD1 4.28Å; F160-L174 HydrophobicContact CE1-CD1 3.46Å; F160-L174 VanDerWaalsContact CE1-CD1 3.46Å; F160-L174 HydrophobicContact CZ-CD1 3.76Å; F160-V207 HydrophobicContact CB-CB 3.6Å; F160-V207 HydrophobicContact CB-CG1 4.06Å; F160-V207 HydrophobicContact CB-CG2 3.85Å; F160-V207 HydrophobicContact CD1-CB 4.37Å; F160-V207 HydrophobicContact CD1-CG1 3.94Å; F160-V207 HydrophobicContact CD1-CG2 4.49Å; F160-V207 HydrophobicContact CD2-CB 4.18Å; F160-V207 HydrophobicContact CD2-CG1 3.81Å; F160-V207 HydrophobicContact CE1-CG1 4.31Å; F160-V207 HydrophobicContact CE2-CG1 4.2Å; F160-V207 HydrophobicContact CG-CB 3.82Å; F160-V207 HydrophobicContact CG-CG1 3.67Å; F160-V207 HydrophobicContact CG-CG2 4.28Å; F160-V207 HydrophobicContact CZ-CG1 4.43Å; F160-M210 HydrophobicContact CE1-CB 3.99Å; F160-M210 HydrophobicContact CZ-CB 3.85Å; F160-I214 HydrophobicContact CE2-CG2 4.27Å; F160-I214 HydrophobicContact CZ-CG2 3.78Å
161Q97.1Very high95.8Very high66 Ų6664.6 Ų64.631%0.30831%0.306SS..  trans-90.5109.4172.9-178.2179.8-3.600108Q165 K168 G216 E217Q161-Q165 WeakPolarHBondContact CG-O 3.4Å; Q161-Q165 PolarHBondContact NE2-O 3.43Å; Q161-K168 HydrophobicContact CB-CG 4.08Å; Q161-G216 CarbonylContact O-C 3.57Å; Q161-G216 WeakPolarHBondContact O-CA 3.47Å; Q161-E217 HydrophobicContact CB-CB 4.44Å; Q161-E217 HydrophobicContact CG-CB 3.84Å; Q161-E217 HydrophobicContact CG-CG 4.48Å; Q161-E217 PolarHBondContact O-N 3.43Å
162P96.3Very high95.7Very high0 Ų065.9 Ų65.90%032%0.316CS..BIsolated β-bridgetrans-74.7163.4177.637.8-42.3000110.6F160 H164 Q165 Y169 L174 Y178 I214F160-P162 HydrophobicContact CE2-CB 4.07Å; F160-P162 HydrophobicContact CZ-CB 4.37Å; F160-P162 WeakPolarHBondContact O-CD 3.12Å; P162-H164 PolarHBondContact O-N 3.01Å; P162-Q165 HydrophobicContact CG-CB 3.68Å; P162-Q165 HydrophobicContact CG-CG 3.48Å; P162-Q165 VanDerWaalsContact CG-CG 3.48Å; P162-Q165 PolarHBondContact O-N 2.93Å; P162-Y169 HydrophobicContact CG-CD2 4.33Å; P162-L174 HydrophobicContact CB-CD1 4.41Å; P162-L174 HydrophobicContact CB-CD2 4.16Å; P162-L174 HydrophobicContact CG-CD2 3.62Å; P162-Y178 WeakPolarHBondContact CB-OH 3.42Å; P162-I214 HydrophobicContact CB-CG1 4.06Å; P162-I214 HydrophobicContact CB-CG2 3.86Å
163L92.9Very high95.7Very high38 Ų3870.6 Ų70.620%0.19934%0.338CS..THydrogen-bonded Turntrans-49.6137.6177.3-82171.1000112.7Q165 I214 N215 E217 K220L163-Q165 PolarHBondContact O-N 2.61Å; L163-Q165 VanDerWaalsContact O-N 3.12Å; L163-I214 HydrophobicContact CB-CD1 4.06Å; L163-I214 HydrophobicContact CB-CG1 4.27Å; L163-I214 HydrophobicContact CD1-CD1 4.26Å; L163-N215 HydrophobicContact CD1-CB 3.72Å; L163-N215 HydrophobicContact CG-CB 4.19Å; L163-N215 WeakPolarHBondContact CG-O 3.04Å; L163-N215 PolarHBondContact N-O 3.18Å; L163-E217 VanDerWaalsContact CA-OE2 3.25Å; L163-E217 WeakPolarHBondContact CA-OE2 3.41Å; L163-K220 HydrophobicContact CD2-CB 3.77Å; L163-K220 HydrophobicContact CD2-CD 3.71Å; L163-K220 HydrophobicContact CD2-CG 3.63Å
164H90.1Very high95.6Very high138 Ų13866.8 Ų66.864%0.63932%0.321SS*.THydrogen-bonded Turntrans61.411.2178.5-55.8-83.2000115.7P162 E217 K220P162-H164 PolarHBondContact O-N 3.01Å; H164-E217 PolarHBondContact N-OE2 3.31Å; H164-K220 PolarHBondContact CE1-NZ 2.79Å; H164-K220 VanDerWaalsContact CE1-NZ 3.3Å
165Q92.2Very high95.5Very high59 Ų5966.1 Ų66.128%0.27632%0.315SS..  trans-104.8151.5172.4-61.2-60.1-29.100111.3Q161 P162 L163 Y169Q161-Q165 WeakPolarHBondContact CG-O 3.4Å; Q161-Q165 PolarHBondContact NE2-O 3.43Å; P162-Q165 HydrophobicContact CG-CB 3.68Å; P162-Q165 HydrophobicContact CG-CG 3.48Å; P162-Q165 VanDerWaalsContact CG-CG 3.48Å; P162-Q165 PolarHBondContact O-N 2.93Å; L163-Q165 PolarHBondContact O-N 2.61Å; L163-Q165 VanDerWaalsContact O-N 3.12Å; Q165-Y169 HydrophobicContact CB-CE2 4.13Å; Q165-Y169 HydrophobicContact CG-CE2 4.4Å
166R90.8Very high95.4Very high236 Ų23670.1 Ų70.189%0.89134%0.339SS*.SBendtrans-93.4-20.2179.1-64.7-175-179.1-173.60.6114
167K94.7Very high95.3Very high149 Ų14967.7 Ų67.765%0.64833%0.326SS*.SBendtrans-111.5157.5-175.6-66.3-178.1-179.91800110.1Y169K167-Y169 HydrophobicContact CB-CE2 3.82Å; K167-Y169 VanDerWaalsContact O-CD2 3.3Å; K167-Y169 WeakPolarHBondContact O-CD2 3.37Å; K167-Y169 WeakPolarHBondContact O-CE2 3.41Å
168K96Very high95.2Very high146 Ų14663 Ų6364%0.63530%0.3SS*.  trans-82144166.6-63.7-172.9177.3-173.50109.3F160 Q161F160-K168 VanDerWaalsContact O-CA 3.31Å; F160-K168 WeakPolarHBondContact O-CA 2.84Å; Q161-K168 HydrophobicContact CB-CG 4.08Å
169Y97Very high95Very high53 Ų5366 Ų6621%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-133.1151.5177.7-64.5-90.8000108.9C159 F160 P162 Q165 K167 E173 L174 L177C159-Y169 WeakPolarHBondContact CA-O 3.29Å; F160-Y169 PolarHBondContact N-O 3.03Å; F160-Y169 VanDerWaalsContact N-O 3.13Å; F160-Y169 PolarHBondContact O-N 2.59Å; P162-Y169 HydrophobicContact CG-CD2 4.33Å; Q165-Y169 HydrophobicContact CB-CE2 4.13Å; Q165-Y169 HydrophobicContact CG-CE2 4.4Å; K167-Y169 HydrophobicContact CB-CE2 3.82Å; K167-Y169 VanDerWaalsContact O-CD2 3.3Å; K167-Y169 WeakPolarHBondContact O-CD2 3.37Å; K167-Y169 WeakPolarHBondContact O-CE2 3.41Å; Y169-E173 WeakPolarHBondContact CA-OE2 3.48Å; Y169-E173 HydrophobicContact CD1-CB 4.18Å; Y169-L174 HydrophobicContact CD2-CD2 4.06Å; Y169-L174 HydrophobicContact CG-CD2 3.91Å; Y169-L177 HydrophobicContact CE1-CD2 4.41Å; Y169-L177 HydrophobicContact CE2-CD2 4.47Å
170T97.4Very high94.7Very high29 Ų2967.6 Ų67.618%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-74159.6164.867.50000110.5I158 S172 E173 L174I158-T170 CarbonylContact O-C 3.55Å; I158-T170 WeakPolarHBondContact O-CA 3.29Å; T170-S172 PolarHBondContact O-N 2.88Å; T170-E173 PolarHBondContact N-OE2 3.23Å; T170-E173 WeakPolarHBondContact O-CB 3.35Å; T170-E173 PolarHBondContact O-N 2.65Å; T170-E173 VanDerWaalsContact O-N 3.14Å; T170-E173 VanDerWaalsContact OG1-CG 3.27Å; T170-E173 WeakPolarHBondContact OG1-CG 3.44Å; T170-E173 PolarHBondContact OG1-N 2.91Å; T170-L174 WeakPolarHBondContact O-CG 3.08Å; T170-L174 PolarHBondContact O-N 3.37Å
171A96.6Very high94.5Very high0 Ų069.9 Ų69.90%035%0.346CS..Hα-helixtrans-63.3-33.2178.500000112.6P155 I158 L174 M175 Y197 M210P155-A171 HydrophobicContact CB-CB 4.27Å; P155-A171 VanDerWaalsContact O-CB 3.27Å; P155-A171 WeakPolarHBondContact O-CB 3.27Å; P155-A171 PolarHBondContact O-N 2.83Å; P155-A171 VanDerWaalsContact O-N 3.15Å; I158-A171 HydrophobicContact CB-CB 3.95Å; I158-A171 HydrophobicContact CD1-CB 4.31Å; I158-A171 HydrophobicContact CG2-CB 4.33Å; I158-A171 PolarHBondContact O-N 2.69Å; A171-L174 PolarHBondContact O-N 3.43Å; A171-M175 WeakPolarHBondContact O-CG 3.31Å; A171-M175 PolarHBondContact O-N 3.25Å; A171-Y197 HydrophobicContact CB-CD2 3.89Å; A171-Y197 HydrophobicContact CB-CE2 4.4Å; A171-M210 HydrophobicContact CB-SD 3.39Å; A171-M210 WeakPolarHBondContact CB-SD 2.97Å
172S95.7Very high94.1Very high37 Ų3774.5 Ų74.526%0.25937%0.372SS..Hα-helixtrans-59.5-46.2171.7-56.90000111.9P155 D156 T170 L174 M175 V176P155-S172 VanDerWaalsContact CB-OG 3.23Å; P155-S172 WeakPolarHBondContact CB-OG 3.1Å; D156-S172 WeakPolarHBondContact OD1-CB 3.07Å; D156-S172 PolarHBondContact OD1-OG 2.88Å; T170-S172 PolarHBondContact O-N 2.88Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.39Å; S172-M175 PolarHBondContact O-N 3.37Å; S172-V176 PolarHBondContact O-N 3.23Å
173E96.3Very high93.8Very high100 Ų10078.2 Ų78.247%0.46739%0.389SS..Hα-helixtrans-63.7-38.4176.5-71.1170.1169.800111.6Y169 T170 V176 L177Y169-E173 WeakPolarHBondContact CA-OE2 3.48Å; Y169-E173 HydrophobicContact CD1-CB 4.18Å; T170-E173 PolarHBondContact N-OE2 3.23Å; T170-E173 WeakPolarHBondContact O-CB 3.35Å; T170-E173 PolarHBondContact O-N 2.65Å; T170-E173 VanDerWaalsContact O-N 3.14Å; T170-E173 VanDerWaalsContact OG1-CG 3.27Å; T170-E173 WeakPolarHBondContact OG1-CG 3.44Å; T170-E173 PolarHBondContact OG1-N 2.91Å; E173-V176 PolarHBondContact O-N 3.41Å; E173-L177 WeakPolarHBondContact O-CB 3.3Å; E173-L177 PolarHBondContact O-N 3.39Å
174L95.7Very high93.8Very high0 Ų077 Ų770%038%0.382CS..Hα-helixtrans-63.2-40.8176.4-69.4177.8000112.6F160 P162 Y169 T170 A171 S172 V176 L177 Y178 I214F160-L174 HydrophobicContact CD1-CD1 4.28Å; F160-L174 HydrophobicContact CE1-CD1 3.46Å; F160-L174 VanDerWaalsContact CE1-CD1 3.46Å; F160-L174 HydrophobicContact CZ-CD1 3.76Å; P162-L174 HydrophobicContact CB-CD1 4.41Å; P162-L174 HydrophobicContact CB-CD2 4.16Å; P162-L174 HydrophobicContact CG-CD2 3.62Å; Y169-L174 HydrophobicContact CD2-CD2 4.06Å; Y169-L174 HydrophobicContact CG-CD2 3.91Å; T170-L174 WeakPolarHBondContact O-CG 3.08Å; T170-L174 PolarHBondContact O-N 3.37Å; A171-L174 PolarHBondContact O-N 3.43Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.39Å; L174-V176 VanDerWaalsContact C-N 3.26Å; L174-V176 PolarHBondContact O-N 2.99Å; L174-L177 HydrophobicContact CD2-CD2 4.33Å; L174-L177 PolarHBondContact O-N 3.33Å; L174-Y178 HydrophobicContact CB-CD2 4.26Å; L174-Y178 HydrophobicContact CB-CE2 4.19Å; L174-Y178 HydrophobicContact CD2-CE2 3.89Å; L174-Y178 WeakPolarHBondContact O-CB 3.33Å; L174-Y178 VanDerWaalsContact O-CD2 3.26Å; L174-Y178 WeakPolarHBondContact O-CD2 3.34Å; L174-Y178 PolarHBondContact O-N 2.95Å; L174-I214 HydrophobicContact CD1-CG2 4.48Å
175M95.1Very high93.9Very high23 Ų2378.1 Ų78.111%0.11338%0.381CS..Hα-helixtrans-61.1-38.8176.6-65.6-53.5166.200111.5A171 S172 S179 L188 I191 Y197 M210 I213A171-M175 WeakPolarHBondContact O-CG 3.31Å; A171-M175 PolarHBondContact O-N 3.25Å; S172-M175 PolarHBondContact O-N 3.37Å; M175-S179 PolarHBondContact O-N 2.84Å; M175-L188 HydrophobicContact SD-CB 4.39Å; M175-L188 HydrophobicContact SD-CD2 3.74Å; M175-I191 HydrophobicContact CE-CD1 3.77Å; M175-I191 HydrophobicContact CE-CG1 3.99Å; M175-Y197 HydrophobicContact CE-CD2 3.51Å; M175-Y197 HydrophobicContact CE-CE2 3.13Å; M175-Y197 HydrophobicContact CE-CG 4.45Å; M175-Y197 HydrophobicContact CG-CE2 3.73Å; M175-Y197 HydrophobicContact SD-CE2 4.22Å; M175-M210 HydrophobicContact CE-CE 3.47Å; M175-M210 VanDerWaalsContact CE-CE 3.47Å; M175-M210 HydrophobicContact CE-SD 4.2Å; M175-I213 HydrophobicContact CE-CG1 4Å
176V94.7Very high94Very high105 Ų10578.3 Ų78.364%0.63638%0.382SS*.Hα-helixtrans-69.2-47.1175.6178.60000110.8S172 E173 L174 Y178 S179S172-V176 PolarHBondContact O-N 3.23Å; E173-V176 PolarHBondContact O-N 3.41Å; L174-V176 VanDerWaalsContact C-N 3.26Å; L174-V176 PolarHBondContact O-N 2.99Å; V176-Y178 PolarHBondContact O-N 3.24Å; V176-S179 WeakPolarHBondContact O-CB 3.42Å; V176-S179 PolarHBondContact O-N 2.84Å; V176-S179 PolarHBondContact O-OG 3.36Å
177L93.9Very high94.2Very high58 Ų5867.5 Ų67.530%0.30434%0.341SS..Hα-helixtrans-55.8-51.4-179.9-178.865.4000111.3Y169 E173 L174 S179 S180Y169-L177 HydrophobicContact CE1-CD2 4.41Å; Y169-L177 HydrophobicContact CE2-CD2 4.47Å; E173-L177 WeakPolarHBondContact O-CB 3.3Å; E173-L177 PolarHBondContact O-N 3.39Å; L174-L177 HydrophobicContact CD2-CD2 4.33Å; L174-L177 PolarHBondContact O-N 3.33Å; L177-S179 VanDerWaalsContact C-N 3.27Å; L177-S179 PolarHBondContact O-N 3.24Å; L177-S180 PolarHBondContact O-OG 2.91Å
178Y94.9Very high94.2Very high7 Ų760.9 Ų60.93%0.02731%0.313CS..Hα-helixtrans-78.7-5.6-176.5-64-46.9000114.3P162 L174 V176 S180 D181 L184 I213 I214P162-Y178 WeakPolarHBondContact CB-OH 3.42Å; L174-Y178 HydrophobicContact CB-CD2 4.26Å; L174-Y178 HydrophobicContact CB-CE2 4.19Å; L174-Y178 HydrophobicContact CD2-CE2 3.89Å; L174-Y178 WeakPolarHBondContact O-CB 3.33Å; L174-Y178 VanDerWaalsContact O-CD2 3.26Å; L174-Y178 WeakPolarHBondContact O-CD2 3.34Å; L174-Y178 PolarHBondContact O-N 2.95Å; V176-Y178 PolarHBondContact O-N 3.24Å; Y178-S180 PolarHBondContact O-N 2.92Å; Y178-D181 HydrophobicContact CD1-CB 3.99Å; Y178-D181 WeakPolarHBondContact O-CB 3.39Å; Y178-D181 PolarHBondContact O-N 2.66Å; Y178-D181 VanDerWaalsContact O-N 3.08Å; Y178-L184 HydrophobicContact CD1-CB 4.28Å; Y178-L184 HydrophobicContact CD1-CD1 3.54Å; Y178-L184 HydrophobicContact CD2-CD1 4.14Å; Y178-L184 HydrophobicContact CE1-CD1 3.47Å; Y178-L184 VanDerWaalsContact CE1-CD1 3.47Å; Y178-L184 HydrophobicContact CE2-CD1 4.07Å; Y178-L184 HydrophobicContact CG-CB 4.18Å; Y178-L184 HydrophobicContact CG-CD1 3.89Å; Y178-I213 HydrophobicContact CD2-CG2 4.26Å; Y178-I214 HydrophobicContact CE2-CB 4.42Å; Y178-I214 HydrophobicContact CE2-CG2 4.15Å
179S93Very high94.1Very high61 Ų6159.2 Ų59.243%0.42731%0.307SS..THydrogen-bonded Turntrans-62-22.8172.372.60000112.7M175 V176 L177 R185M175-S179 PolarHBondContact O-N 2.84Å; V176-S179 WeakPolarHBondContact O-CB 3.42Å; V176-S179 PolarHBondContact O-N 2.84Å; V176-S179 PolarHBondContact O-OG 3.36Å; L177-S179 VanDerWaalsContact C-N 3.27Å; L177-S179 PolarHBondContact O-N 3.24Å; S179-R185 WeakPolarHBondContact O-CD 3.35Å; S179-R185 WeakPolarHBondContact O-CG 3.48Å
180S91.2Very high94Very high105 Ų10558.7 Ų58.773%0.73431%0.307SS*.THydrogen-bonded Turntrans-96.5-10.4175.866.50000114.1L177 Y178L177-S180 PolarHBondContact O-OG 2.91Å; Y178-S180 PolarHBondContact O-N 2.92Å
181D92.7Very high93.9Very high58 Ų5857.5 Ų57.531%0.3130%0.3SS..  trans-79.7126.3-177.5-173.8-73.8000111Y178 H183 L184 R185Y178-D181 HydrophobicContact CD1-CB 3.99Å; Y178-D181 WeakPolarHBondContact O-CB 3.39Å; Y178-D181 PolarHBondContact O-N 2.66Å; Y178-D181 VanDerWaalsContact O-N 3.08Å; D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 2.78Å; D181-H183 WeakPolarHBondContact OD1-CA 3.27Å; D181-H183 PolarHBondContact OD1-N 3.25Å; D181-L184 HydrophobicContact CB-CB 4.29Å; D181-L184 PolarHBondContact OD1-N 3.11Å; D181-R185 WeakPolarHBondContact O-CB 3.49Å; D181-R185 PolarHBondContact O-N 2.97Å; D181-R185 VanDerWaalsContact O-N 3.08Å
182L89.4Confident93.7Very high163 Ų16362 Ų6285%0.85332%0.321SS*.THydrogen-bonded Turntrans-65.1-33.2-174.6-169.867000112.7
183H88.9Confident93.5Very high77 Ų7766.9 Ų66.936%0.35634%0.344SS..THydrogen-bonded Turntrans-87.8-46-175.4-17783.7000111.7D181 Q186 Y187D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 2.78Å; D181-H183 WeakPolarHBondContact OD1-CA 3.27Å; D181-H183 PolarHBondContact OD1-N 3.25Å; H183-Q186 WeakPolarHBondContact O-CG 3.29Å; H183-Q186 PolarHBondContact O-NE2 3.18Å; H183-Y187 AromaticContact NE2-CE2 3.95Å; H183-Y187 WeakPolarHBondContact O-CE2 3.21Å
184L92.6Very high93.3Very high13 Ų1363.5 Ų63.57%0.06833%0.333CS..THydrogen-bonded Turntrans-85.7-24.6-173.4-68.3174.8000114Y178 D181 Q186 Y187 I213 I214Y178-L184 HydrophobicContact CD1-CB 4.28Å; Y178-L184 HydrophobicContact CD1-CD1 3.54Å; Y178-L184 HydrophobicContact CD2-CD1 4.14Å; Y178-L184 HydrophobicContact CE1-CD1 3.47Å; Y178-L184 VanDerWaalsContact CE1-CD1 3.47Å; Y178-L184 HydrophobicContact CE2-CD1 4.07Å; Y178-L184 HydrophobicContact CG-CB 4.18Å; Y178-L184 HydrophobicContact CG-CD1 3.89Å; D181-L184 HydrophobicContact CB-CB 4.29Å; D181-L184 PolarHBondContact OD1-N 3.11Å; L184-Q186 PolarHBondContact O-N 3.29Å; L184-Q186 VanDerWaalsContact O-N 3.09Å; L184-Y187 HydrophobicContact CD2-CD2 4.09Å; L184-Y187 HydrophobicContact CD2-CE2 4.48Å; L184-Y187 PolarHBondContact O-N 2.83Å; L184-I213 WeakPolarHBondContact CD2-O 3.36Å; L184-I214 HydrophobicContact CD1-CD1 4.1Å
185R93.8Very high93.3Very high162 Ų16268.4 Ų68.461%0.61137%0.368SS*.Hα-helixtrans-53.5-35.9179.6-178.1-17989.8166.23.6112.5S179 D181 Y187 L188S179-R185 WeakPolarHBondContact O-CD 3.35Å; S179-R185 WeakPolarHBondContact O-CG 3.48Å; D181-R185 WeakPolarHBondContact O-CB 3.49Å; D181-R185 PolarHBondContact O-N 2.97Å; D181-R185 VanDerWaalsContact O-N 3.08Å; R185-Y187 PolarHBondContact O-N 2.89Å; R185-L188 PolarHBondContact O-N 3.21Å
186Q93Very high93.3Very high63 Ų6371.4 Ų71.429%0.29438%0.378SS..Hα-helixtrans-67.3-15.6-17975.5-172.4-41.900113.6H183 L184 H189H183-Q186 WeakPolarHBondContact O-CG 3.29Å; H183-Q186 PolarHBondContact O-NE2 3.18Å; L184-Q186 PolarHBondContact O-N 3.29Å; L184-Q186 VanDerWaalsContact O-N 3.09Å; Q186-H189 PolarHBondContact O-CE1 2.9Å; Q186-H189 PolarHBondContact O-ND1 2.83Å
187Y95.4Very high93.5Very high9 Ų967.2 Ų67.24%0.03535%0.351CS..Hα-helixtrans-101.6-17.3-178.3-53.8-60.1000113.6K130 R131 H183 L184 R185 H189 I190 I213K130-Y187 HydrophobicContact CB-CD1 4.43Å; K130-Y187 HydrophobicContact CB-CE1 3.9Å; K130-Y187 VanDerWaalsContact O-CD1 3.23Å; K130-Y187 WeakPolarHBondContact O-CD1 3.26Å; K130-Y187 WeakPolarHBondContact O-CE1 3.41Å; R131-Y187 HydrophobicContact CB-CD1 4.22Å; R131-Y187 HydrophobicContact CB-CE1 4.44Å; R131-Y187 HydrophobicContact CG-CD1 4.13Å; R131-Y187 HydrophobicContact CG-CE1 3.96Å; H183-Y187 AromaticContact NE2-CE2 3.95Å; H183-Y187 WeakPolarHBondContact O-CE2 3.21Å; L184-Y187 HydrophobicContact CD2-CD2 4.09Å; L184-Y187 HydrophobicContact CD2-CE2 4.48Å; L184-Y187 PolarHBondContact O-N 2.83Å; R185-Y187 PolarHBondContact O-N 2.89Å; Y187-H189 VanDerWaalsContact C-N 3.26Å; Y187-H189 PolarHBondContact O-N 3.12Å; Y187-I190 HydrophobicContact CD1-CD1 4.19Å; Y187-I190 VanDerWaalsContact O-CB 3.32Å; Y187-I190 WeakPolarHBondContact O-CB 3.48Å; Y187-I190 WeakPolarHBondContact O-CD1 3.39Å; Y187-I190 WeakPolarHBondContact O-CG1 3.38Å; Y187-I190 PolarHBondContact O-N 3.43Å; Y187-I213 VanDerWaalsContact O-CD1 3.26Å; Y187-I213 WeakPolarHBondContact O-CD1 3.37Å
188L95Very high93.7Very high10 Ų1064.5 Ų64.55%0.05234%0.337CS..Hα-helixtrans-57.9-40.5-174.3-55.1-178.6000112.1M175 R185 I190 I191 Q192 I213M175-L188 HydrophobicContact SD-CB 4.39Å; M175-L188 HydrophobicContact SD-CD2 3.74Å; R185-L188 PolarHBondContact O-N 3.21Å; L188-I190 PolarHBondContact O-N 3.39Å; L188-I191 PolarHBondContact O-N 3.44Å; L188-Q192 WeakPolarHBondContact O-CB 3.45Å; L188-Q192 PolarHBondContact O-N 3.01Å; L188-I213 HydrophobicContact CD2-CD1 4.24Å; L188-I213 HydrophobicContact CD2-CG2 3.9Å
189H94.5Very high93.8Very high111 Ų11164.2 Ų64.251%0.51434%0.335SS..THydrogen-bonded Turntrans-59.1-16.3-179.977.6-80.2000114.8Q186 Y187 I191 Q192Q186-H189 PolarHBondContact O-CE1 2.9Å; Q186-H189 PolarHBondContact O-ND1 2.83Å; Y187-H189 VanDerWaalsContact C-N 3.26Å; Y187-H189 PolarHBondContact O-N 3.12Å; H189-I191 VanDerWaalsContact C-N 3.3Å; H189-I191 PolarHBondContact O-N 2.87Å; H189-Q192 VanDerWaalsContact CA-CD 3.48Å
190I94.8Very high94.1Very high41 Ų4161.4 Ų61.421%0.2132%0.316CS..THydrogen-bonded Turntrans-66.2-34.6179.6-58.4166.7000111.2K130 R131 Y187 L188 P212K130-I190 WeakPolarHBondContact O-CD1 3.28Å; R131-I190 HydrophobicContact CB-CD1 4.2Å; Y187-I190 HydrophobicContact CD1-CD1 4.19Å; Y187-I190 VanDerWaalsContact O-CB 3.32Å; Y187-I190 WeakPolarHBondContact O-CB 3.48Å; Y187-I190 WeakPolarHBondContact O-CD1 3.39Å; Y187-I190 WeakPolarHBondContact O-CG1 3.38Å; Y187-I190 PolarHBondContact O-N 3.43Å; L188-I190 PolarHBondContact O-N 3.39Å; I190-P212 HydrophobicContact CB-CG 3.88Å; I190-P212 HydrophobicContact CD1-CB 4.44Å; I190-P212 HydrophobicContact CD1-CG 3.85Å; I190-P212 HydrophobicContact CG1-CG 4.49Å; I190-P212 HydrophobicContact CG2-CG 3.68Å
191I94.4Very high94.4Very high4 Ų458.1 Ų58.12%0.02129%0.287CS..THydrogen-bonded Turntrans-127.1-6.5-179.263.4170.1000114.1I94 M175 L188 H189 D193 A194 Y197 P198 P212 I213I94-I191 HydrophobicContact CG2-CG2 4.25Å; M175-I191 HydrophobicContact CE-CD1 3.77Å; M175-I191 HydrophobicContact CE-CG1 3.99Å; L188-I191 PolarHBondContact O-N 3.44Å; H189-I191 VanDerWaalsContact C-N 3.3Å; H189-I191 PolarHBondContact O-N 2.87Å; I191-D193 PolarHBondContact O-N 3.43Å; I191-A194 WeakPolarHBondContact O-CB 3.29Å; I191-A194 PolarHBondContact O-N 2.72Å; I191-Y197 HydrophobicContact CB-CD1 4.28Å; I191-Y197 HydrophobicContact CB-CE1 4.48Å; I191-Y197 HydrophobicContact CD1-CD1 4.02Å; I191-Y197 HydrophobicContact CD1-CD2 4.11Å; I191-Y197 HydrophobicContact CD1-CG 3.8Å; I191-Y197 HydrophobicContact CG1-CD1 4.27Å; I191-Y197 HydrophobicContact CG1-CE1 4.41Å; I191-Y197 WeakPolarHBondContact O-CE1 3.25Å; I191-P198 HydrophobicContact CG2-CG 4.33Å; I191-P212 HydrophobicContact CG2-CG 4.38Å; I191-I213 HydrophobicContact CD1-CG1 3.91Å; I191-I213 HydrophobicContact CG1-CD1 4.32Å; I191-I213 HydrophobicContact CG1-CG1 4.2Å
192Q92.7Very high94.6Very high94 Ų9455.8 Ų55.844%0.43928%0.275SS..THydrogen-bonded Turntrans-51.7-37.9-173.475-173.34.900113.8L188 H189 A194 Y197L188-Q192 WeakPolarHBondContact O-CB 3.45Å; L188-Q192 PolarHBondContact O-N 3.01Å; H189-Q192 VanDerWaalsContact CA-CD 3.48Å; Q192-A194 VanDerWaalsContact C-N 3.32Å; Q192-Y197 PolarHBondContact O-OH 3.08Å
193D91.8Very high95Very high140 Ų14051.1 Ų51.175%0.74926%0.256SS*.THydrogen-bonded Turntrans-86.5-3.7-174.5-60.3-49.2000112.8I191I191-D193 PolarHBondContact O-N 3.43Å
194A93.1Very high95.3Very high29 Ų2952.1 Ų52.124%0.2426%0.264CS..SBendtrans-80.3140.4176.900000111.1I94 I191 Q192 R196 Y197I94-A194 HydrophobicContact CD1-CB 4.34Å; I94-A194 HydrophobicContact CG1-CB 4.22Å; I191-A194 WeakPolarHBondContact O-CB 3.29Å; I191-A194 PolarHBondContact O-N 2.72Å; Q192-A194 VanDerWaalsContact C-N 3.32Å; A194-R196 WeakPolarHBondContact CB-O 3.28Å; A194-R196 PolarHBondContact O-N 2.99Å; A194-Y197 HydrophobicContact CB-CD1 4.48Å; A194-Y197 WeakPolarHBondContact O-CE1 3.49Å
195S93.6Very high95.4Very high104 Ų10453.8 Ų53.873%0.72728%0.284SS*.SBendtrans-71.4-13.5177.458.80000114.2
196R96.3Very high95.5Very high86 Ų8648 Ų4833%0.32527%0.267SS..SBendtrans-142.4144.3179.5-55177.871.487.6-3.9108.5I94 T152 K153 A194I94-R196 HydrophobicContact CD1-CB 4.16Å; I94-R196 WeakPolarHBondContact CD1-O 3.17Å; T152-R196 PolarHBondContact O-NE 3.22Å; T152-R196 PolarHBondContact O-NH2 3.04Å; T152-R196 PolarHBondContact OG1-NE 2.68Å; T152-R196 VanDerWaalsContact OG1-NE 3.15Å; K153-R196 CarbonylContact O-C 3.48Å; K153-R196 VanDerWaalsContact O-CA 3.24Å; K153-R196 WeakPolarHBondContact O-CA 3.25Å; A194-R196 WeakPolarHBondContact CB-O 3.28Å; A194-R196 PolarHBondContact O-N 2.99Å
197Y97.9Very high95.7Very high17 Ų1745.4 Ų45.47%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-107.9144.8-179-67-8.6000112.1T152 K153 P155 A171 M175 I191 Q192 A194 M210T152-Y197 WeakPolarHBondContact CA-O 3.19Å; T152-Y197 WeakPolarHBondContact CB-O 3.35Å; K153-Y197 PolarHBondContact N-O 3.11Å; K153-Y197 VanDerWaalsContact N-O 3.07Å; K153-Y197 PolarHBondContact O-N 2.9Å; P155-Y197 HydrophobicContact CB-CD2 3.96Å; P155-Y197 HydrophobicContact CB-CE2 3.78Å; P155-Y197 HydrophobicContact CG-CD1 4.11Å; P155-Y197 HydrophobicContact CG-CD2 3.82Å; P155-Y197 HydrophobicContact CG-CE1 3.93Å; P155-Y197 HydrophobicContact CG-CE2 3.64Å; P155-Y197 HydrophobicContact CG-CG 4.05Å; A171-Y197 HydrophobicContact CB-CD2 3.89Å; A171-Y197 HydrophobicContact CB-CE2 4.4Å; M175-Y197 HydrophobicContact CE-CD2 3.51Å; M175-Y197 HydrophobicContact CE-CE2 3.13Å; M175-Y197 HydrophobicContact CE-CG 4.45Å; M175-Y197 HydrophobicContact CG-CE2 3.73Å; M175-Y197 HydrophobicContact SD-CE2 4.22Å; I191-Y197 HydrophobicContact CB-CD1 4.28Å; I191-Y197 HydrophobicContact CB-CE1 4.48Å; I191-Y197 HydrophobicContact CD1-CD1 4.02Å; I191-Y197 HydrophobicContact CD1-CD2 4.11Å; I191-Y197 HydrophobicContact CD1-CG 3.8Å; I191-Y197 HydrophobicContact CG1-CD1 4.27Å; I191-Y197 HydrophobicContact CG1-CE1 4.41Å; I191-Y197 WeakPolarHBondContact O-CE1 3.25Å; Q192-Y197 PolarHBondContact O-OH 3.08Å; A194-Y197 HydrophobicContact CB-CD1 4.48Å; A194-Y197 WeakPolarHBondContact O-CE1 3.49Å; Y197-M210 HydrophobicContact CD2-SD 4.13Å
198P98Very high95.8Very high1 Ų145 Ų451%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-66.3139.2175.3-8.724.5000110.7I94 R95 Y150 T151 I191 M210 P211I94-P198 HydrophobicContact CG2-CG 3.87Å; R95-P198 HydrophobicContact CB-CG 4.46Å; Y150-P198 HydrophobicContact CE2-CB 3.83Å; T151-P198 WeakPolarHBondContact O-CA 3.35Å; I191-P198 HydrophobicContact CG2-CG 4.33Å; P198-M210 WeakPolarHBondContact O-CG 3.45Å; P198-P211 WeakPolarHBondContact CD-O 3.49Å; P198-P211 VanDerWaalsContact CG-O 3.23Å; P198-P211 WeakPolarHBondContact CG-O 3.01Å
199V98.3Very high95.9Very high0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-150.6143.4179.357.50000110.2T151 K153 I158 Y201 V207T151-V199 HydrophobicContact CG2-CG1 3.96Å; T151-V199 PolarHBondContact N-O 3.04Å; T151-V199 PolarHBondContact O-N 3.34Å; T151-V199 VanDerWaalsContact O-O 3.13Å; K153-V199 HydrophobicContact CB-CG1 4.41Å; K153-V199 HydrophobicContact CG-CG1 4.07Å; I158-V199 HydrophobicContact CD1-CB 4.13Å; I158-V199 HydrophobicContact CD1-CG1 4.16Å; I158-V199 HydrophobicContact CG1-CB 4.49Å; I158-V199 HydrophobicContact CG1-CG1 4.35Å; I158-V199 HydrophobicContact CG2-CG2 4.08Å; V199-Y201 HydrophobicContact CB-CE2 4.13Å; V199-Y201 HydrophobicContact CG1-CD2 4.14Å; V199-Y201 HydrophobicContact CG1-CE2 3.38Å; V199-Y201 HydrophobicContact CG2-CD2 4.14Å; V199-Y201 HydrophobicContact CG2-CE1 4.25Å; V199-Y201 HydrophobicContact CG2-CE2 3.62Å; V199-V207 HydrophobicContact CG2-CG1 3.84Å; V199-V207 HydrophobicContact CG2-CG2 4.09Å
200I98.5Very high96Very high3 Ų339.2 Ų39.22%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-113127.6175.6-54.4173.9000109I98 L149 Y150 V207 L208 S209 P211 E231 T233I98-I200 HydrophobicContact CD1-CD1 3.62Å; I98-I200 HydrophobicContact CD1-CG1 4.34Å; L149-I200 CarbonylContact O-C 3.55Å; L149-I200 WeakPolarHBondContact O-CA 3.45Å; Y150-I200 HydrophobicContact CD2-CD1 4.38Å; Y150-I200 HydrophobicContact CD2-CG1 3.63Å; Y150-I200 HydrophobicContact CE2-CG1 4.35Å; Y150-I200 HydrophobicContact CG-CG1 4.34Å; I200-V207 WeakPolarHBondContact O-CA 3.5Å; I200-L208 HydrophobicContact CB-CB 4.15Å; I200-L208 HydrophobicContact CG2-CB 4.16Å; I200-L208 HydrophobicContact CG2-CD1 4.45Å; I200-L208 HydrophobicContact CG2-CD2 3.9Å; I200-L208 HydrophobicContact CG2-CG 4.42Å; I200-L208 PolarHBondContact O-N 2.97Å; I200-S209 PolarHBondContact N-O 2.93Å; I200-S209 VanDerWaalsContact N-O 3.09Å; I200-P211 HydrophobicContact CD1-CG 4.1Å; I200-P211 HydrophobicContact CG1-CG 4.33Å; I200-E231 HydrophobicContact CD1-CG 3.61Å; I200-T233 HydrophobicContact CD1-CG2 4Å
201Y98.2Very high96.1Very high36 Ų3637.5 Ų37.514%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-114.1150.8178-67.9-80.5000112.5F148 L149 T151 K153 V199 G205 T206 V207F148-Y201 CarbonylContact C-O 3.58Å; F148-Y201 WeakPolarHBondContact CA-O 3.31Å; L149-Y201 PolarHBondContact N-O 2.82Å; L149-Y201 PolarHBondContact O-N 3.24Å; T151-Y201 HydrophobicContact CG2-CD2 4.07Å; T151-Y201 HydrophobicContact CG2-CE2 4.06Å; K153-Y201 HydrophobicContact CG-CE2 4.43Å; V199-Y201 HydrophobicContact CB-CE2 4.13Å; V199-Y201 HydrophobicContact CG1-CD2 4.14Å; V199-Y201 HydrophobicContact CG1-CE2 3.38Å; V199-Y201 HydrophobicContact CG2-CD2 4.14Å; V199-Y201 HydrophobicContact CG2-CE1 4.25Å; V199-Y201 HydrophobicContact CG2-CE2 3.62Å; Y201-G205 WeakPolarHBondContact CD1-O 3.33Å; Y201-T206 CarbonylContact C-O 3.47Å; Y201-T206 VanDerWaalsContact CA-O 3.3Å; Y201-T206 WeakPolarHBondContact CA-O 3.47Å; Y201-V207 HydrophobicContact CD1-CG2 3.85Å; Y201-V207 HydrophobicContact CE1-CB 4.5Å; Y201-V207 HydrophobicContact CE1-CG2 3.32Å
202D97.5Very high96.2Very high8 Ų837.5 Ų37.54%0.04322%0.219CC..  trans-88.7176.5163.496.9-31.8000111.3L144 K145 F148 N204 G205 T206 L208L144-D202 HydrophobicContact CD2-CB 4.27Å; K145-D202 PolarHBondContact N-OD2 3.05Å; K145-D202 VanDerWaalsContact O-CB 3.25Å; K145-D202 WeakPolarHBondContact O-CB 3.31Å; F148-D202 HydrophobicContact CD1-CB 3.97Å; F148-D202 HydrophobicContact CE1-CB 3.83Å; D202-N204 PolarHBondContact O-N 3.37Å; D202-N204 VanDerWaalsContact OD1-CA 3.31Å; D202-N204 WeakPolarHBondContact OD1-CA 3.22Å; D202-N204 WeakPolarHBondContact OD1-CB 3.42Å; D202-N204 PolarHBondContact OD1-N 3.05Å; D202-N204 PolarHBondContact OD2-ND2 2.98Å; D202-G205 PolarHBondContact O-N 3.16Å; D202-G205 VanDerWaalsContact O-N 3.08Å; D202-G205 PolarHBondContact OD1-N 3.47Å; D202-T206 PolarHBondContact N-O 2.92Å; D202-T206 WeakPolarHBondContact OD1-CA 3.46Å; D202-T206 WeakPolarHBondContact OD1-CB 3.35Å; D202-T206 PolarHBondContact OD1-N 2.94Å; D202-T206 PolarHBondContact OD1-OG1 2.62Å; D202-L208 HydrophobicContact CB-CD1 3.74Å; D202-L208 VanDerWaalsContact N-CD1 3.34Å
203S96Very high96.3Very high65 Ų6533.1 Ų33.146%0.45520%0.198SC..THydrogen-bonded Turntrans-67.1-19.4-18069.40000114.1K145 G146 P147 G205K145-S203 WeakPolarHBondContact CB-OG 3.32Å; K145-S203 PolarHBondContact O-N 3.43Å; K145-S203 PolarHBondContact O-OG 3.21Å; G146-S203 PolarHBondContact O-OG 3.14Å; P147-S203 PolarHBondContact O-N 3.03Å; S203-G205 VanDerWaalsContact C-N 3.29Å
204N95.5Very high96.5Very high98 Ų9827.4 Ų27.452%0.52417%0.168SC..THydrogen-bonded Turntrans-86.7-1.7175.8-51.7-54.2000112.2D202 T206D202-N204 PolarHBondContact O-N 3.37Å; D202-N204 VanDerWaalsContact OD1-CA 3.31Å; D202-N204 WeakPolarHBondContact OD1-CA 3.22Å; D202-N204 WeakPolarHBondContact OD1-CB 3.42Å; D202-N204 PolarHBondContact OD1-N 3.05Å; D202-N204 PolarHBondContact OD2-ND2 2.98Å; N204-T206 VanDerWaalsContact C-N 3.34Å
205G94.3Very high96.7Very high49 Ų4927.2 Ų27.251%0.50516%0.162SC..SBendtrans80.314.2-173.900000113.7Y201 D202 S203Y201-G205 WeakPolarHBondContact CD1-O 3.33Å; D202-G205 PolarHBondContact O-N 3.16Å; D202-G205 VanDerWaalsContact O-N 3.08Å; D202-G205 PolarHBondContact OD1-N 3.47Å; S203-G205 VanDerWaalsContact C-N 3.29Å
206T96.3Very high96.9Very high39 Ų3922.3 Ų22.324%0.23913%0.128CC..  trans-74.5131.8174.6-47.80000109.8Y201 D202 N204 L208 H218Y201-T206 CarbonylContact C-O 3.47Å; Y201-T206 VanDerWaalsContact CA-O 3.3Å; Y201-T206 WeakPolarHBondContact CA-O 3.47Å; D202-T206 PolarHBondContact N-O 2.92Å; D202-T206 WeakPolarHBondContact OD1-CA 3.46Å; D202-T206 WeakPolarHBondContact OD1-CB 3.35Å; D202-T206 PolarHBondContact OD1-N 2.94Å; D202-T206 PolarHBondContact OD1-OG1 2.62Å; N204-T206 VanDerWaalsContact C-N 3.34Å; T206-L208 PolarHBondContact O-N 2.84Å; T206-H218 HydrophobicContact CG2-CB 4.21Å; T206-H218 VanDerWaalsContact CG2-CD2 3.49Å; T206-H218 WeakPolarHBondContact CG2-CD2 3.48Å
207V97.6Very high96.9Very high9 Ų920.7 Ų20.76%0.05512%0.124CC..EExtended strand (participates in β ladder)trans-77.4120.4174.3176.30000109.5F160 V199 I200 Y201F160-V207 HydrophobicContact CB-CB 3.6Å; F160-V207 HydrophobicContact CB-CG1 4.06Å; F160-V207 HydrophobicContact CB-CG2 3.85Å; F160-V207 HydrophobicContact CD1-CB 4.37Å; F160-V207 HydrophobicContact CD1-CG1 3.94Å; F160-V207 HydrophobicContact CD1-CG2 4.49Å; F160-V207 HydrophobicContact CD2-CB 4.18Å; F160-V207 HydrophobicContact CD2-CG1 3.81Å; F160-V207 HydrophobicContact CE1-CG1 4.31Å; F160-V207 HydrophobicContact CE2-CG1 4.2Å; F160-V207 HydrophobicContact CG-CB 3.82Å; F160-V207 HydrophobicContact CG-CG1 3.67Å; F160-V207 HydrophobicContact CG-CG2 4.28Å; F160-V207 HydrophobicContact CZ-CG1 4.43Å; V199-V207 HydrophobicContact CG2-CG1 3.84Å; V199-V207 HydrophobicContact CG2-CG2 4.09Å; I200-V207 WeakPolarHBondContact O-CA 3.5Å; Y201-V207 HydrophobicContact CD1-CG2 3.85Å; Y201-V207 HydrophobicContact CE1-CB 4.5Å; Y201-V207 HydrophobicContact CE1-CG2 3.32Å
208L97.7Very high96.8Very high1 Ų124.6 Ų24.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-75.3-52.4171.2-80.470.3000110.3H139 L144 F148 I200 D202 T206 G216 L229H139-L208 PolarHBondContact CE1-O 3.36Å; L144-L208 HydrophobicContact CD1-CD1 4.36Å; L144-L208 HydrophobicContact CD1-CD2 3.73Å; L144-L208 HydrophobicContact CD1-CG 3.72Å; L144-L208 HydrophobicContact CD2-CD1 3.82Å; L144-L208 HydrophobicContact CD2-CG 3.89Å; L144-L208 HydrophobicContact CG-CG 4.46Å; F148-L208 HydrophobicContact CD1-CD1 3.92Å; F148-L208 HydrophobicContact CD1-CD2 3.71Å; F148-L208 HydrophobicContact CD1-CG 4.47Å; F148-L208 HydrophobicContact CE1-CD1 4.07Å; F148-L208 HydrophobicContact CE1-CD2 3.78Å; F148-L208 HydrophobicContact CE1-CG 4.45Å; F148-L208 HydrophobicContact CG-CD2 4.48Å; I200-L208 HydrophobicContact CB-CB 4.15Å; I200-L208 HydrophobicContact CG2-CB 4.16Å; I200-L208 HydrophobicContact CG2-CD1 4.45Å; I200-L208 HydrophobicContact CG2-CD2 3.9Å; I200-L208 HydrophobicContact CG2-CG 4.42Å; I200-L208 PolarHBondContact O-N 2.97Å; D202-L208 HydrophobicContact CB-CD1 3.74Å; D202-L208 VanDerWaalsContact N-CD1 3.34Å; T206-L208 PolarHBondContact O-N 2.84Å; L208-G216 PolarHBondContact O-N 3.02Å; L208-L229 HydrophobicContact CD2-CD2 4.06Å
209S97.1Very high96.7Very high0 Ų024.6 Ų24.60%014%0.143CC..EExtended strand (participates in β ladder)trans-156.8161.2-177.959.90000111.4I200 P211 N215I200-S209 PolarHBondContact N-O 2.93Å; I200-S209 VanDerWaalsContact N-O 3.09Å; S209-P211 VanDerWaalsContact C-CD 3.49Å; S209-P211 WeakPolarHBondContact O-CD 3.37Å; S209-N215 VanDerWaalsContact CB-OD1 3.31Å; S209-N215 WeakPolarHBondContact CB-OD1 3.37Å
210M97.2Very high96.6Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-115.782.5166.4-175.4-172.373.600108.5F160 A171 M175 Y197 P198 I213 I214F160-M210 HydrophobicContact CE1-CB 3.99Å; F160-M210 HydrophobicContact CZ-CB 3.85Å; A171-M210 HydrophobicContact CB-SD 3.39Å; A171-M210 WeakPolarHBondContact CB-SD 2.97Å; M175-M210 HydrophobicContact CE-CE 3.47Å; M175-M210 VanDerWaalsContact CE-CE 3.47Å; M175-M210 HydrophobicContact CE-SD 4.2Å; Y197-M210 HydrophobicContact CD2-SD 4.13Å; P198-M210 WeakPolarHBondContact O-CG 3.45Å; M210-I213 HydrophobicContact CE-CB 3.64Å; M210-I213 HydrophobicContact CE-CG1 3.86Å; M210-I213 HydrophobicContact CE-CG2 3.97Å; M210-I213 PolarHBondContact O-N 3.24Å; M210-I214 PolarHBondContact N-O 2.95Å; M210-I214 PolarHBondContact O-N 2.93Å
211P96.6Very high96.5Very high5 Ų527.3 Ų27.33%0.03216%0.155CC..THydrogen-bonded Turntrans-65.1144.4-177.7-20.633.2000112P198 I200 S209 T233P198-P211 WeakPolarHBondContact CD-O 3.49Å; P198-P211 VanDerWaalsContact CG-O 3.23Å; P198-P211 WeakPolarHBondContact CG-O 3.01Å; I200-P211 HydrophobicContact CD1-CG 4.1Å; I200-P211 HydrophobicContact CG1-CG 4.33Å; S209-P211 VanDerWaalsContact C-CD 3.49Å; S209-P211 WeakPolarHBondContact O-CD 3.37Å; P211-T233 HydrophobicContact CB-CG2 4.06Å; P211-T233 WeakPolarHBondContact CB-OG1 3.5Å; P211-T233 HydrophobicContact CG-CG2 3.8Å
212P95.2Very high96.4Very high4 Ų427.8 Ų27.83%0.02616%0.162CC..THydrogen-bonded Turncis-93.616.70.437-34.4000114.1R131 A135 I190 I191R131-P212 HydrophobicContact CB-CB 4.03Å; R131-P212 VanDerWaalsContact CD-O 3.23Å; R131-P212 WeakPolarHBondContact CD-O 3.27Å; R131-P212 PolarHBondContact NH1-O 3.38Å; A135-P212 HydrophobicContact CB-CB 3.5Å; I190-P212 HydrophobicContact CB-CG 3.88Å; I190-P212 HydrophobicContact CD1-CB 4.44Å; I190-P212 HydrophobicContact CD1-CG 3.85Å; I190-P212 HydrophobicContact CG1-CG 4.49Å; I190-P212 HydrophobicContact CG2-CG 3.68Å; I191-P212 HydrophobicContact CG2-CG 4.38Å
213I96.3Very high96.2Very high1 Ų130.6 Ų30.61%0.00518%0.18CC..THydrogen-bonded Turntrans-87.4-62-164.4-54.4-50.8000112.2R131 M175 Y178 L184 Y187 L188 I191 M210R131-I213 PolarHBondContact NH1-O 2.69Å; M175-I213 HydrophobicContact CE-CG1 4Å; Y178-I213 HydrophobicContact CD2-CG2 4.26Å; L184-I213 WeakPolarHBondContact CD2-O 3.36Å; Y187-I213 VanDerWaalsContact O-CD1 3.26Å; Y187-I213 WeakPolarHBondContact O-CD1 3.37Å; L188-I213 HydrophobicContact CD2-CD1 4.24Å; L188-I213 HydrophobicContact CD2-CG2 3.9Å; I191-I213 HydrophobicContact CD1-CG1 3.91Å; I191-I213 HydrophobicContact CG1-CD1 4.32Å; I191-I213 HydrophobicContact CG1-CG1 4.2Å; M210-I213 HydrophobicContact CE-CB 3.64Å; M210-I213 HydrophobicContact CE-CG1 3.86Å; M210-I213 HydrophobicContact CE-CG2 3.97Å; M210-I213 PolarHBondContact O-N 3.24Å
214I96.1Very high96.2Very high21 Ų2131.4 Ų31.411%0.10819%0.185CC..EExtended strand (participates in β ladder)trans-154.2149.2-170.7-161.158.2000112.6F160 P162 L163 L174 Y178 L184 M210F160-I214 HydrophobicContact CE2-CG2 4.27Å; F160-I214 HydrophobicContact CZ-CG2 3.78Å; P162-I214 HydrophobicContact CB-CG1 4.06Å; P162-I214 HydrophobicContact CB-CG2 3.86Å; L163-I214 HydrophobicContact CB-CD1 4.06Å; L163-I214 HydrophobicContact CB-CG1 4.27Å; L163-I214 HydrophobicContact CD1-CD1 4.26Å; L174-I214 HydrophobicContact CD1-CG2 4.48Å; Y178-I214 HydrophobicContact CE2-CB 4.42Å; Y178-I214 HydrophobicContact CE2-CG2 4.15Å; L184-I214 HydrophobicContact CD1-CD1 4.1Å; M210-I214 PolarHBondContact N-O 2.95Å; M210-I214 PolarHBondContact O-N 2.93Å
215N97.2Very high96.3Very high25 Ų2526.7 Ų26.713%0.13416%0.16CC..EExtended strand (participates in β ladder)trans-89.7161.9172.6-67.714.7000111G137 F138 H139 L163 S209G137-N215 VanDerWaalsContact CA-ND2 3.32Å; G137-N215 WeakPolarHBondContact CA-ND2 3.49Å; F138-N215 PolarHBondContact N-ND2 2.78Å; H139-N215 PolarHBondContact CE1-ND2 3.34Å; L163-N215 HydrophobicContact CD1-CB 3.72Å; L163-N215 HydrophobicContact CG-CB 4.19Å; L163-N215 WeakPolarHBondContact CG-O 3.04Å; L163-N215 PolarHBondContact N-O 3.18Å; S209-N215 VanDerWaalsContact CB-OD1 3.31Å; S209-N215 WeakPolarHBondContact CB-OD1 3.37Å
216G96.4Very high96.4Very high1 Ų129.4 Ų29.41%0.0116%0.155CC..BIsolated β-bridgetrans-82.4142.5176.100000112.5Q161 L208 H218 S219Q161-G216 CarbonylContact O-C 3.57Å; Q161-G216 WeakPolarHBondContact O-CA 3.47Å; L208-G216 PolarHBondContact O-N 3.02Å; G216-H218 PolarHBondContact O-N 3.39Å; G216-S219 PolarHBondContact O-N 2.57Å
217E97Very high96.4Very high52 Ų5228.9 Ų28.924%0.24315%0.151CC..G310 helixtrans-61.2-29.3178.2-173.367.5-170.200112.2Q161 L163 H164 S219 K220Q161-E217 HydrophobicContact CB-CB 4.44Å; Q161-E217 HydrophobicContact CG-CB 3.84Å; Q161-E217 HydrophobicContact CG-CG 4.48Å; Q161-E217 PolarHBondContact O-N 3.43Å; L163-E217 VanDerWaalsContact CA-OE2 3.25Å; L163-E217 WeakPolarHBondContact CA-OE2 3.41Å; H164-E217 PolarHBondContact N-OE2 3.31Å; E217-S219 VanDerWaalsContact C-N 3.28Å; E217-S219 PolarHBondContact O-N 2.82Å; E217-K220 VanDerWaalsContact O-CB 3.27Å; E217-K220 WeakPolarHBondContact O-CB 3.34Å; E217-K220 PolarHBondContact O-N 3.16Å; E217-K220 IonicContact OE1-NZ 2.86Å
218H96Very high96.4Very high98 Ų9828.4 Ų28.445%0.45415%0.148SC..G310 helixtrans-60.4-35.7-176.9-176.666.8000113.8T143 T206 G216T143-H218 PolarHBondContact O-NE2 3.23Å; T143-H218 PolarHBondContact OG1-O 3.27Å; T206-H218 HydrophobicContact CG2-CB 4.21Å; T206-H218 VanDerWaalsContact CG2-CD2 3.49Å; T206-H218 WeakPolarHBondContact CG2-CD2 3.48Å; G216-H218 PolarHBondContact O-N 3.39Å
219S96.5Very high96.5Very high1 Ų128.5 Ų28.51%0.00715%0.149CC..G310 helixtrans-106.422.6-177.459.10000112.6H139 D140 T143 G216 E217 V221H139-S219 CarbonylContact C-O 3.34Å; H139-S219 VanDerWaalsContact CA-O 3.29Å; H139-S219 WeakPolarHBondContact CA-O 3.45Å; H139-S219 PolarHBondContact ND1-OG 2.75Å; D140-S219 PolarHBondContact N-O 3.48Å; T143-S219 WeakPolarHBondContact OG1-CA 3.45Å; G216-S219 PolarHBondContact O-N 2.57Å; E217-S219 VanDerWaalsContact C-N 3.28Å; E217-S219 PolarHBondContact O-N 2.82Å; S219-V221 PolarHBondContact O-N 2.71Å
220K96.6Very high96.5Very high53 Ų5328.5 Ų28.523%0.2315%0.149CC..  trans-61.2126.7-178.2179.4175.9-178.8173.90111.4L163 H164 E217 T222L163-K220 HydrophobicContact CD2-CB 3.77Å; L163-K220 HydrophobicContact CD2-CD 3.71Å; L163-K220 HydrophobicContact CD2-CG 3.63Å; H164-K220 PolarHBondContact CE1-NZ 2.79Å; H164-K220 VanDerWaalsContact CE1-NZ 3.3Å; E217-K220 VanDerWaalsContact O-CB 3.27Å; E217-K220 WeakPolarHBondContact O-CB 3.34Å; E217-K220 PolarHBondContact O-N 3.16Å; E217-K220 IonicContact OE1-NZ 2.86Å; K220-T222 HydrophobicContact CG-CG2 4.47Å
221V96.2Very high96.5Very high8 Ų828.8 Ų28.85%0.04815%0.15CC..  trans-73.6136.2172.6177.70000110.3L108 Y113 F138 S219 T225 M228L108-V221 HydrophobicContact CD1-CG1 4.17Å; Y113-V221 HydrophobicContact CD2-CG1 4.46Å; Y113-V221 HydrophobicContact CE2-CG1 4.21Å; Y113-V221 WeakPolarHBondContact CE2-O 3.24Å; Y113-V221 PolarHBondContact OH-O 3.49Å; F138-V221 HydrophobicContact CB-CG2 3.81Å; S219-V221 PolarHBondContact O-N 2.71Å; V221-T225 HydrophobicContact CG1-CG2 4.23Å; V221-M228 HydrophobicContact CG1-SD 4.19Å; V221-M228 HydrophobicContact CG2-CG 4.1Å; V221-M228 HydrophobicContact CG2-SD 4.08Å
222T95Very high96.6Very high46 Ų4628.6 Ų28.628%0.28215%0.148SC..  trans-136174.4178.561.50000110.2K220 S224 T225K220-T222 HydrophobicContact CG-CG2 4.47Å; T222-S224 PolarHBondContact O-N 2.94Å; T222-S224 PolarHBondContact OG1-N 2.79Å; T222-S224 PolarHBondContact OG1-OG 3.46Å; T222-T225 PolarHBondContact N-OG1 2.97Å; T222-T225 VanDerWaalsContact O-CB 3.28Å; T222-T225 WeakPolarHBondContact O-CB 3.19Å; T222-T225 PolarHBondContact O-N 3.13Å; T222-T225 PolarHBondContact O-OG1 2.95Å; T222-T225 PolarHBondContact OG1-OG1 2.91Å
223T94.5Very high96.7Very high67 Ų6728.4 Ų28.441%0.41115%0.147SC..THydrogen-bonded Turntrans-62.5-21174.253.60000113.3Y113 R226Y113-T223 HydrophobicContact CG-CG2 4.49Å; T223-R226 PolarHBondContact O-NH1 3.18Å
224S95.3Very high96.8Very high81 Ų8128.3 Ų28.357%0.56615%0.147SC*.THydrogen-bonded Turntrans-81.6-13.8173.643.40000114.6T222 R226T222-S224 PolarHBondContact O-N 2.94Å; T222-S224 PolarHBondContact OG1-N 2.79Å; T222-S224 PolarHBondContact OG1-OG 3.46Å; S224-R226 PolarHBondContact O-N 3.33Å; S224-R226 PolarHBondContact O-NH1 2.89Å
225T96.6Very high96.8Very high0 Ų031.2 Ų31.20%016%0.162CC..  trans-59.7135179.6-61.70000110.3D140 V221 T222 N227D140-T225 HydrophobicContact CB-CG2 4Å; D140-T225 WeakPolarHBondContact OD2-CB 3.48Å; D140-T225 WeakPolarHBondContact OD2-CG2 3.5Å; D140-T225 PolarHBondContact OD2-OG1 3.08Å; V221-T225 HydrophobicContact CG1-CG2 4.23Å; T222-T225 PolarHBondContact N-OG1 2.97Å; T222-T225 VanDerWaalsContact O-CB 3.28Å; T222-T225 WeakPolarHBondContact O-CB 3.19Å; T222-T225 PolarHBondContact O-N 3.13Å; T222-T225 PolarHBondContact O-OG1 2.95Å; T222-T225 PolarHBondContact OG1-OG1 2.91Å; T225-N227 WeakPolarHBondContact CG2-O 3.36Å
226R96.9Very high96.8Very high105 Ų10532.5 Ų32.540%0.39617%0.169SC..  trans-114-36.1-179.3-67.1-65.5173.4-97.5-0.5112.4G105 M106 T223 S224G105-R226 PolarHBondContact N-O 2.86Å; M106-R226 PolarHBondContact N-O 3.16Å; M106-R226 WeakPolarHBondContact O-CD 3.21Å; T223-R226 PolarHBondContact O-NH1 3.18Å; S224-R226 PolarHBondContact O-N 3.33Å; S224-R226 PolarHBondContact O-NH1 2.89Å
227N97.5Very high96.7Very high28 Ų2834.7 Ų34.715%0.1518%0.18CC..SBendtrans-120.1127.3175.6-56.7-57.4000108.8L103 R104 G105 L141 D142 T225L103-N227 WeakPolarHBondContact O-CA 3.31Å; R104-N227 WeakPolarHBondContact CA-OD1 3.4Å; G105-N227 PolarHBondContact N-OD1 2.85Å; L141-N227 HydrophobicContact CB-CB 4.03Å; L141-N227 WeakPolarHBondContact CB-O 3.49Å; L141-N227 HydrophobicContact CD2-CB 4.3Å; L141-N227 PolarHBondContact N-O 3.12Å; D142-N227 PolarHBondContact OD1-ND2 3.19Å; D142-N227 PolarHBondContact OD2-N 3.24Å; D142-N227 PolarHBondContact OD2-ND2 2.86Å; D142-N227 VanDerWaalsContact OD2-ND2 3.15Å; T225-N227 WeakPolarHBondContact CG2-O 3.36Å
228M97.5Very high96.5Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-120.6129.7-176.5-171.1172.873.400110.3V102 L103 M106 L116 F138 H139 V221 I230 C251V102-M228 WeakPolarHBondContact CA-O 3.18Å; L103-M228 HydrophobicContact CD1-CE 3.85Å; L103-M228 PolarHBondContact N-O 3.32Å; L103-M228 PolarHBondContact O-N 3.23Å; M106-M228 HydrophobicContact CE-CE 3.99Å; M106-M228 HydrophobicContact SD-CB 3.58Å; M106-M228 VanDerWaalsContact SD-CB 3.58Å; M106-M228 HydrophobicContact SD-CE 3.92Å; M106-M228 HydrophobicContact SD-SD 4.28Å; L116-M228 HydrophobicContact CD1-CE 3.93Å; L116-M228 HydrophobicContact CD1-SD 4.26Å; F138-M228 HydrophobicContact CB-SD 4.06Å; F138-M228 HydrophobicContact CD1-CE 4.23Å; F138-M228 HydrophobicContact CD1-SD 4.25Å; F138-M228 HydrophobicContact CG-SD 4.24Å; H139-M228 CarbonylContact O-C 3.47Å; H139-M228 WeakPolarHBondContact O-CA 3.04Å; V221-M228 HydrophobicContact CG1-SD 4.19Å; V221-M228 HydrophobicContact CG2-CG 4.1Å; V221-M228 HydrophobicContact CG2-SD 4.08Å; M228-I230 HydrophobicContact CE-CD1 3.62Å; M228-I230 HydrophobicContact CE-CG1 3.62Å; M228-I230 HydrophobicContact CG-CG1 4.44Å; M228-C251 HydrophobicContact CE-CB 4.49Å
229L98Very high96.4Very high3 Ų335.9 Ų35.92%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-94.2124.1165.8173.468.3000107.9V83 A100 V102 H139 L141 F148 L208 V264V83-L229 HydrophobicContact CG1-CD1 4.42Å; A100-L229 HydrophobicContact CB-CD1 4.29Å; V102-L229 HydrophobicContact CG2-CD1 3.92Å; H139-L229 HydrophobicContact CB-CB 4.2Å; H139-L229 PolarHBondContact N-O 3.11Å; H139-L229 PolarHBondContact O-N 3.28Å; L141-L229 HydrophobicContact CB-CB 4.36Å; L141-L229 HydrophobicContact CD1-CB 4.23Å; F148-L229 HydrophobicContact CD2-CD2 4.18Å; F148-L229 HydrophobicContact CE1-CD2 4.45Å; F148-L229 HydrophobicContact CE2-CD2 3.77Å; F148-L229 HydrophobicContact CZ-CD2 3.93Å; L208-L229 HydrophobicContact CD2-CD2 4.06Å; L229-V264 HydrophobicContact CD1-CG2 4.14Å
230I97.8Very high96.4Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-105129.7171-51.5179.5000107.1A100 A101 L103 I136 F138 M228 L244 L247 V248A100-I230 CarbonylContact C-O 3.35Å; A100-I230 WeakPolarHBondContact CA-O 3.05Å; A100-I230 VanDerWaalsContact CB-O 3.28Å; A100-I230 WeakPolarHBondContact CB-O 3.44Å; A101-I230 PolarHBondContact N-O 2.89Å; A101-I230 PolarHBondContact O-N 3.2Å; L103-I230 HydrophobicContact CD1-CD1 3.85Å; L103-I230 HydrophobicContact CG-CD1 4.18Å; I136-I230 HydrophobicContact CG2-CG2 4.3Å; F138-I230 HydrophobicContact CD1-CB 4.35Å; F138-I230 HydrophobicContact CD1-CD1 4.46Å; F138-I230 HydrophobicContact CD1-CG1 3.93Å; F138-I230 HydrophobicContact CD1-CG2 3.98Å; F138-I230 HydrophobicContact CE1-CD1 4.19Å; F138-I230 HydrophobicContact CE1-CG1 4.13Å; F138-I230 HydrophobicContact CE1-CG2 3.84Å; M228-I230 HydrophobicContact CE-CD1 3.62Å; M228-I230 HydrophobicContact CE-CG1 3.62Å; M228-I230 HydrophobicContact CG-CG1 4.44Å; I230-L244 HydrophobicContact CB-CD1 4.2Å; I230-L244 HydrophobicContact CG2-CD1 3.85Å; I230-L247 HydrophobicContact CD1-CB 4.38Å; I230-L247 HydrophobicContact CG2-CD1 4.03Å; I230-V248 HydrophobicContact CD1-CG2 4.49Å
231E97.5Very high96.3Very high6 Ų635 Ų353%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-130.5141.8175.190.5-54.6168.700110.7I98 V99 A100 I136 G137 H139 I200I98-E231 HydrophobicContact CD1-CB 4.34Å; I98-E231 HydrophobicContact CD1-CG 4.38Å; V99-E231 CarbonylContact O-C 3.46Å; V99-E231 WeakPolarHBondContact O-CA 3.43Å; A100-E231 HydrophobicContact CB-CB 4.22Å; I136-E231 CarbonylContact C-O 3.58Å; I136-E231 WeakPolarHBondContact CA-O 2.95Å; G137-E231 VanDerWaalsContact CA-CD 3.42Å; G137-E231 WeakPolarHBondContact CA-OE1 3.27Å; G137-E231 WeakPolarHBondContact CA-OE2 3.47Å; G137-E231 PolarHBondContact N-O 3.05Å; G137-E231 PolarHBondContact N-OE1 2.98Å; G137-E231 PolarHBondContact N-OE2 3.37Å; G137-E231 PolarHBondContact O-N 3.11Å; H139-E231 VanDerWaalsContact CD2-CD 3.42Å; H139-E231 IonicContact CD2-OE1 2.7Å; H139-E231 IonicContact CD2-OE2 2.76Å; H139-E231 PolarHBondContact CD2-OE2 2.82Å; H139-E231 IonicContact NE2-OE1 3.07Å; H139-E231 PolarHBondContact NE2-OE1 2.89Å; H139-E231 IonicContact NE2-OE2 2.87Å; H139-E231 PolarHBondContact NE2-OE2 2.62Å; I200-E231 HydrophobicContact CD1-CG 3.61Å
232C98.2Very high96.1Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-129.4111.7179.2-66.80000108.5I98 V99 V134 A135I98-C232 VanDerWaalsContact CA-O 3.31Å; I98-C232 WeakPolarHBondContact CA-O 3.48Å; V99-C232 HydrophobicContact CG2-CB 3.69Å; V99-C232 PolarHBondContact N-O 3.42Å; V99-C232 PolarHBondContact O-N 3.47Å; V134-C232 HydrophobicContact CG1-CB 4.03Å; A135-C232 CarbonylContact O-C 3.59Å; A135-C232 VanDerWaalsContact O-CA 3.32Å; A135-C232 WeakPolarHBondContact O-CA 3.32Å
233T98.1Very high96.1Very high0 Ų033.3 Ų33.30%017%0.168CC..EExtended strand (participates in β ladder)trans-95.7138.717561.10000110.8R95 F97 I98 V134 A135 Y150 I200 P211R95-T233 WeakPolarHBondContact CD-OG1 3.18Å; R95-T233 PolarHBondContact NH1-O 2.82Å; F97-T233 CarbonylContact O-C 3.57Å; F97-T233 WeakPolarHBondContact O-CA 3.41Å; I98-T233 HydrophobicContact CB-CG2 4.3Å; I98-T233 HydrophobicContact CD1-CG2 3.84Å; I98-T233 HydrophobicContact CG1-CG2 4.01Å; V134-T233 CarbonylContact C-O 3.54Å; V134-T233 WeakPolarHBondContact CA-O 3.24Å; A135-T233 PolarHBondContact N-O 3.41Å; A135-T233 PolarHBondContact O-N 3.21Å; Y150-T233 HydrophobicContact CD2-CG2 4.38Å; Y150-T233 HydrophobicContact CE1-CG2 4.32Å; Y150-T233 HydrophobicContact CE2-CG2 3.84Å; I200-T233 HydrophobicContact CD1-CG2 4Å; P211-T233 HydrophobicContact CB-CG2 4.06Å; P211-T233 WeakPolarHBondContact CB-OG1 3.5Å; P211-T233 HydrophobicContact CG-CG2 3.8Å
234A97.7Very high96.1Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-150.2155.1-167.300000116.1R95 F97 L133 V134 D236 A240R95-A234 CarbonylContact C-O 3.54Å; R95-A234 WeakPolarHBondContact CG-O 3.3Å; F97-A234 HydrophobicContact CB-CB 4.44Å; F97-A234 PolarHBondContact N-O 2.89Å; F97-A234 VanDerWaalsContact N-O 3.07Å; F97-A234 PolarHBondContact O-N 3.05Å; L133-A234 CarbonylContact O-C 3.57Å; L133-A234 WeakPolarHBondContact O-CA 3.08Å; L133-A234 WeakPolarHBondContact O-CB 3.45Å; V134-A234 HydrophobicContact CB-CB 4.36Å; V134-A234 HydrophobicContact CG1-CB 4.46Å; V134-A234 HydrophobicContact CG2-CB 3.87Å; A234-D236 WeakPolarHBondContact CB-O 3.38Å; A234-A240 HydrophobicContact CB-CB 3.56Å
235L96.9Very high96Very high82 Ų8226.6 Ų26.643%0.42912%0.123SC..SBendtrans-84.1-29.9160.3-68176.5000111.5I94 F97 A132 L133I94-L235 WeakPolarHBondContact O-CD2 3.46Å; F97-L235 WeakPolarHBondContact CE2-O 3.37Å; A132-L235 WeakPolarHBondContact O-CD1 3.49Å; L133-L235 HydrophobicContact CD2-CB 4.48Å; L133-L235 HydrophobicContact CD2-CD1 4.49Å; L133-L235 PolarHBondContact O-N 3.32Å
236D96.3Very high95.8Very high52 Ų5226.6 Ų26.628%0.27812%0.123SC..  trans-116.4107.8-178.1-176.4-30.3000109.3A234 H238 R239 A240A234-D236 WeakPolarHBondContact CB-O 3.38Å; D236-H238 PolarHBondContact O-N 2.87Å; D236-H238 PolarHBondContact OD1-N 3.33Å; D236-H238 VanDerWaalsContact OD1-N 3.08Å; D236-R239 HydrophobicContact CB-CB 4.17Å; D236-R239 HydrophobicContact CB-CG 4.2Å; D236-R239 PolarHBondContact OD1-N 3.19Å; D236-R239 VanDerWaalsContact OD1-N 3.08Å; D236-R239 VanDerWaalsContact OD2-CD 3.27Å; D236-R239 WeakPolarHBondContact OD2-CD 3.39Å; D236-R239 WeakPolarHBondContact OD2-CG 3.44Å; D236-R239 IonicContact OD2-NE 3.92Å; D236-R239 PolarHBondContact OD2-NE 3.34Å; D236-A240 PolarHBondContact O-N 3.28Å; D236-A240 VanDerWaalsContact O-N 3.13Å
237L94.9Very high95.7Very high47 Ų4721.6 Ų21.625%0.24611%0.105CC..Hα-helixtrans-62.3-42.2-177.7177.260.6000112.1F97 V99 R239 A240 E241F97-L237 HydrophobicContact CB-CB 4.4Å; F97-L237 HydrophobicContact CB-CD1 4.14Å; F97-L237 HydrophobicContact CD1-CB 4.2Å; F97-L237 HydrophobicContact CD1-CD1 4.43Å; F97-L237 HydrophobicContact CD1-CD2 4.47Å; F97-L237 HydrophobicContact CD2-CB 3.82Å; F97-L237 HydrophobicContact CE1-CB 4.48Å; F97-L237 HydrophobicContact CE2-CB 4.12Å; F97-L237 HydrophobicContact CG-CB 3.87Å; F97-L237 HydrophobicContact CG-CD1 4.3Å; F97-L237 HydrophobicContact CZ-CB 4.44Å; V99-L237 HydrophobicContact CG1-CD1 3.69Å; L237-R239 PolarHBondContact O-N 2.96Å; L237-A240 WeakPolarHBondContact O-CB 3.34Å; L237-A240 PolarHBondContact O-N 3.08Å; L237-A240 VanDerWaalsContact O-N 3.12Å; L237-E241 HydrophobicContact CD1-CG 4.39Å; L237-E241 WeakPolarHBondContact O-CG 3.37Å; L237-E241 PolarHBondContact O-N 3.12Å
238H92.6Very high95.5Very high106 Ų10620.5 Ų20.549%0.49110%0.099SC..Hα-helixtrans-65.9-42.4-175.7-178.856000111D236 A240 E241 I242D236-H238 PolarHBondContact O-N 2.87Å; D236-H238 PolarHBondContact OD1-N 3.33Å; D236-H238 VanDerWaalsContact OD1-N 3.08Å; H238-A240 VanDerWaalsContact C-N 3.29Å; H238-A240 PolarHBondContact O-N 3.08Å; H238-E241 PolarHBondContact O-N 3.08Å; H238-I242 WeakPolarHBondContact O-CG1 3.26Å; H238-I242 PolarHBondContact O-N 3.41Å
239R94.6Very high95.2Very high69 Ų6920.8 Ų20.826%0.2610%0.101SC..Hα-helixtrans-63.4-36.2172.7-68.4179.7-165.9-128-7.1112.5I127 L133 V134 D236 L237 E241 I242 V243I127-R239 PolarHBondContact O-NH1 2.64Å; L133-R239 VanDerWaalsContact CD1-CZ 3.43Å; V134-R239 HydrophobicContact CG2-CB 3.7Å; D236-R239 HydrophobicContact CB-CB 4.17Å; D236-R239 HydrophobicContact CB-CG 4.2Å; D236-R239 PolarHBondContact OD1-N 3.19Å; D236-R239 VanDerWaalsContact OD1-N 3.08Å; D236-R239 VanDerWaalsContact OD2-CD 3.27Å; D236-R239 WeakPolarHBondContact OD2-CD 3.39Å; D236-R239 WeakPolarHBondContact OD2-CG 3.44Å; D236-R239 IonicContact OD2-NE 3.92Å; D236-R239 PolarHBondContact OD2-NE 3.34Å; L237-R239 PolarHBondContact O-N 2.96Å; R239-E241 VanDerWaalsContact C-N 3.33Å; R239-I242 PolarHBondContact O-N 3.39Å; R239-V243 WeakPolarHBondContact O-CB 3.5Å; R239-V243 WeakPolarHBondContact O-CG2 3.42Å; R239-V243 PolarHBondContact O-N 2.85Å
240A95.8Very high94.9Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-63.7-41.8177.200000111.3V99 V134 A234 D236 L237 H238 V243 L244V99-A240 HydrophobicContact CG1-CB 4.38Å; V99-A240 HydrophobicContact CG2-CB 3.82Å; V99-A240 WeakPolarHBondContact CG2-O 3.49Å; V134-A240 HydrophobicContact CG1-CB 4.3Å; V134-A240 HydrophobicContact CG2-CB 4.24Å; A234-A240 HydrophobicContact CB-CB 3.56Å; D236-A240 PolarHBondContact O-N 3.28Å; D236-A240 VanDerWaalsContact O-N 3.13Å; L237-A240 WeakPolarHBondContact O-CB 3.34Å; L237-A240 PolarHBondContact O-N 3.08Å; L237-A240 VanDerWaalsContact O-N 3.12Å; H238-A240 VanDerWaalsContact C-N 3.29Å; H238-A240 PolarHBondContact O-N 3.08Å; A240-V243 PolarHBondContact O-N 3.08Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 2.93Å
241E93.4Very high94.7Very high35 Ų3521.4 Ų21.416%0.16411%0.105CC..Hα-helixtrans-60.2-50173.6-69174.2162.300110.8V99 L237 H238 R239 V243 L244 D245 K274 Y276V99-E241 HydrophobicContact CG1-CG 4.3Å; L237-E241 HydrophobicContact CD1-CG 4.39Å; L237-E241 WeakPolarHBondContact O-CG 3.37Å; L237-E241 PolarHBondContact O-N 3.12Å; H238-E241 PolarHBondContact O-N 3.08Å; R239-E241 VanDerWaalsContact C-N 3.33Å; E241-V243 VanDerWaalsContact C-N 3.32Å; E241-V243 PolarHBondContact O-N 3.4Å; E241-L244 PolarHBondContact O-N 2.92Å; E241-D245 WeakPolarHBondContact O-CB 3.41Å; E241-D245 VanDerWaalsContact O-CG 3.29Å; E241-D245 PolarHBondContact O-N 3.11Å; E241-K274 IonicContact OE1-NZ 2.82Å; E241-K274 PolarHBondContact OE1-NZ 2.89Å; E241-Y276 HydrophobicContact CG-CD1 4.37Å; E241-Y276 HydrophobicContact CG-CE1 3.93Å; E241-Y276 WeakPolarHBondContact OE1-CE1 3.41Å
242I92.5Very high94.5Very high19 Ų1921.2 Ų21.210%0.09710%0.104CC..Hα-helixtrans-55.4-46.9176.6-67.9172.1000111.9I127 H238 R239 D245 T246 H335I127-I242 HydrophobicContact CD1-CB 4.31Å; I127-I242 HydrophobicContact CD1-CG2 3.54Å; H238-I242 WeakPolarHBondContact O-CG1 3.26Å; H238-I242 PolarHBondContact O-N 3.41Å; R239-I242 PolarHBondContact O-N 3.39Å; I242-D245 PolarHBondContact O-N 3.2Å; I242-T246 WeakPolarHBondContact O-CB 3.35Å; I242-T246 PolarHBondContact O-N 3.41Å; I242-T246 PolarHBondContact O-OG1 3.45Å; I242-H335 HydrophobicContact CD1-CB 4.19Å; I242-H335 HydrophobicContact CG1-CB 4.04Å; I242-H335 HydrophobicContact CG2-CB 4.15Å
243V95.2Very high94.4Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-65.1-45.4-178.5167.70000110.6L123 I127 V134 I136 R239 A240 E241 T246 L247L123-V243 HydrophobicContact CD1-CG1 4.49Å; I127-V243 HydrophobicContact CG2-CG2 3.61Å; V134-V243 HydrophobicContact CG1-CB 4.3Å; V134-V243 HydrophobicContact CG1-CG1 4.24Å; V134-V243 HydrophobicContact CG1-CG2 4.35Å; I136-V243 HydrophobicContact CD1-CG1 3.51Å; I136-V243 HydrophobicContact CG1-CG1 3.43Å; I136-V243 VanDerWaalsContact CG1-CG1 3.43Å; R239-V243 WeakPolarHBondContact O-CB 3.5Å; R239-V243 WeakPolarHBondContact O-CG2 3.42Å; R239-V243 PolarHBondContact O-N 2.85Å; A240-V243 PolarHBondContact O-N 3.08Å; E241-V243 VanDerWaalsContact C-N 3.32Å; E241-V243 PolarHBondContact O-N 3.4Å; V243-T246 PolarHBondContact O-N 3.36Å; V243-L247 HydrophobicContact CG1-CD1 3.94Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CD1 3.34Å; V243-L247 VanDerWaalsContact O-CG 3.23Å; V243-L247 WeakPolarHBondContact O-CG 3.35Å; V243-L247 PolarHBondContact O-N 3.17Å
244L95.1Very high94.2Very high0 Ų026.3 Ų26.30%013%0.125CC..Hα-helixtrans-61.9-46.3177.3-176.269.8000111.1V99 A101 I230 A240 E241 T246 L247 V248 P277V99-L244 HydrophobicContact CB-CD2 3.94Å; V99-L244 HydrophobicContact CG2-CB 3.9Å; V99-L244 HydrophobicContact CG2-CD2 3.81Å; V99-L244 HydrophobicContact CG2-CG 4.36Å; A101-L244 HydrophobicContact CB-CD1 3.85Å; A101-L244 HydrophobicContact CB-CD2 4.27Å; A101-L244 HydrophobicContact CB-CG 4.26Å; I230-L244 HydrophobicContact CB-CD1 4.2Å; I230-L244 HydrophobicContact CG2-CD1 3.85Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 2.93Å; E241-L244 PolarHBondContact O-N 2.92Å; L244-T246 PolarHBondContact O-N 2.92Å; L244-L247 PolarHBondContact O-N 3.43Å; L244-V248 HydrophobicContact CD1-CG2 4.36Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.29Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 2.96Å; L244-P277 HydrophobicContact CD2-CB 4.5Å
245D92.2Very high94.1Very high7 Ų726.8 Ų26.84%0.03713%0.128CC..Hα-helixtrans-63.4-42.7-179.6-72.8-8000110.9E241 I242 L247 V248 C249 P277 H335E241-D245 WeakPolarHBondContact O-CB 3.41Å; E241-D245 VanDerWaalsContact O-CG 3.29Å; E241-D245 PolarHBondContact O-N 3.11Å; I242-D245 PolarHBondContact O-N 3.2Å; D245-L247 PolarHBondContact O-N 3.05Å; D245-V248 PolarHBondContact O-N 3.41Å; D245-C249 VanDerWaalsContact O-CB 3.29Å; D245-C249 WeakPolarHBondContact O-CB 3.48Å; D245-C249 PolarHBondContact O-N 3.48Å; D245-C249 PolarHBondContact O-SG 3.36Å; D245-P277 VanDerWaalsContact OD1-CB 3.25Å; D245-P277 WeakPolarHBondContact OD1-CB 3.35Å; D245-H335 WeakPolarHBondContact CB-NE2 3.49Å; D245-H335 IonicContact OD2-CE1 2.61Å; D245-H335 PolarHBondContact OD2-CE1 2.78Å; D245-H335 IonicContact OD2-NE2 2.59Å
246T92.6Very high93.9Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-60.6-45.7176-57.70000111.8C51 L123 I242 V243 L244 T250C51-T246 HydrophobicContact CB-CG2 4.29Å; L123-T246 HydrophobicContact CD1-CG2 4.36Å; L123-T246 HydrophobicContact CD2-CG2 4.36Å; I242-T246 WeakPolarHBondContact O-CB 3.35Å; I242-T246 PolarHBondContact O-N 3.41Å; I242-T246 PolarHBondContact O-OG1 3.45Å; V243-T246 PolarHBondContact O-N 3.36Å; L244-T246 PolarHBondContact O-N 2.92Å; T246-T250 PolarHBondContact O-N 3.28Å; T246-T250 VanDerWaalsContact O-N 3.08Å; T246-T250 PolarHBondContact O-OG1 2.92Å
247L94.6Very high93.8Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-64.5-47.7177.5-73.5169.1000111.5L119 L123 I136 F138 I230 V243 L244 D245 T250 C251L119-L247 HydrophobicContact CD2-CD2 3.92Å; L119-L247 HydrophobicContact CG-CD2 4.05Å; L123-L247 HydrophobicContact CD1-CD2 3.68Å; L123-L247 HydrophobicContact CD1-CG 3.81Å; I136-L247 HydrophobicContact CB-CD1 4.31Å; I136-L247 HydrophobicContact CD1-CD1 3.8Å; I136-L247 HydrophobicContact CG1-CD1 3.91Å; I136-L247 HydrophobicContact CG2-CD1 3.42Å; I136-L247 VanDerWaalsContact CG2-CD1 3.42Å; F138-L247 HydrophobicContact CE1-CD1 4.13Å; F138-L247 HydrophobicContact CE1-CD2 4.14Å; F138-L247 HydrophobicContact CZ-CD1 4.4Å; F138-L247 HydrophobicContact CZ-CD2 3.74Å; I230-L247 HydrophobicContact CD1-CB 4.38Å; I230-L247 HydrophobicContact CG2-CD1 4.03Å; V243-L247 HydrophobicContact CG1-CD1 3.94Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CD1 3.34Å; V243-L247 VanDerWaalsContact O-CG 3.23Å; V243-L247 WeakPolarHBondContact O-CG 3.35Å; V243-L247 PolarHBondContact O-N 3.17Å; L244-L247 PolarHBondContact O-N 3.43Å; D245-L247 PolarHBondContact O-N 3.05Å; L247-T250 PolarHBondContact O-N 2.91Å; L247-C251 WeakPolarHBondContact O-CB 3.3Å; L247-C251 PolarHBondContact O-N 3.41Å; L247-C251 PolarHBondContact O-SG 2.84Å
248V93.2Very high93.7Very high4 Ų430.5 Ų30.52%0.02416%0.157CC..Hα-helixtrans-60.6-48.2178.5164.40000110.6A101 L103 I230 L244 D245 T250 S252 A261A101-V248 HydrophobicContact CB-CG2 3.51Å; L103-V248 HydrophobicContact CD2-CG1 4.47Å; I230-V248 HydrophobicContact CD1-CG2 4.49Å; L244-V248 HydrophobicContact CD1-CG2 4.36Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.29Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 2.96Å; D245-V248 PolarHBondContact O-N 3.41Å; V248-T250 VanDerWaalsContact C-N 3.28Å; V248-T250 PolarHBondContact O-N 2.67Å; V248-S252 WeakPolarHBondContact O-CB 3.47Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 3.47Å; V248-A261 HydrophobicContact CG1-CB 3.39Å; V248-A261 HydrophobicContact CG2-CB 4.47Å
249C91.7Very high93.6Very high6 Ų627.6 Ų27.64%0.04114%0.142CC..Hα-helixtrans-59.9-39.9179.5-69.40000111.6F75 D245 P332 N333F75-C249 HydrophobicContact CD1-CB 4.01Å; F75-C249 HydrophobicContact CE1-CB 3.61Å; F75-C249 WeakPolarHBondContact CE1-O 3.47Å; F75-C249 HydrophobicContact CE2-CB 4.2Å; F75-C249 HydrophobicContact CG-CB 4.48Å; F75-C249 HydrophobicContact CZ-CB 3.68Å; D245-C249 VanDerWaalsContact O-CB 3.29Å; D245-C249 WeakPolarHBondContact O-CB 3.48Å; D245-C249 PolarHBondContact O-N 3.48Å; D245-C249 PolarHBondContact O-SG 3.36Å; C249-P332 VanDerWaalsContact SG-CG 3.5Å; C249-N333 HydrophobicContact CB-CB 4.09Å
250T92.4Very high93.5Very high15 Ų1525.5 Ų25.59%0.09214%0.137CC..Hα-helixtrans-75.8-53-179.9-51.10000111.9S55 E57 L119 T246 L247 V248 S252 K253S55-T250 VanDerWaalsContact OG-CG2 3.27Å; S55-T250 WeakPolarHBondContact OG-CG2 3.5Å; E57-T250 HydrophobicContact CB-CG2 3.99Å; L119-T250 HydrophobicContact CD2-CG2 3.85Å; T246-T250 PolarHBondContact O-N 3.28Å; T246-T250 VanDerWaalsContact O-N 3.08Å; T246-T250 PolarHBondContact O-OG1 2.92Å; L247-T250 PolarHBondContact O-N 2.91Å; V248-T250 VanDerWaalsContact C-N 3.28Å; V248-T250 PolarHBondContact O-N 2.67Å; T250-S252 PolarHBondContact O-N 3.41Å; T250-K253 WeakPolarHBondContact O-CB 3.12Å; T250-K253 PolarHBondContact O-N 3.27Å
251C93.6Very high93.4Very high2 Ų225.6 Ų25.61%0.01414%0.138CC..Hα-helixtrans-73.5-28.2-171-61.40000112.8L103 M106 L116 M228 L247 K253 Y254L103-C251 HydrophobicContact CD1-CB 3.48Å; L103-C251 VanDerWaalsContact CD1-CB 3.48Å; M106-C251 HydrophobicContact CE-CB 4.44Å; L116-C251 HydrophobicContact CD1-CB 4.24Å; L116-C251 VanDerWaalsContact CD1-SG 3.58Å; M228-C251 HydrophobicContact CE-CB 4.49Å; L247-C251 WeakPolarHBondContact O-CB 3.3Å; L247-C251 PolarHBondContact O-N 3.41Å; L247-C251 PolarHBondContact O-SG 2.84Å; C251-K253 PolarHBondContact O-N 2.88Å; C251-K253 VanDerWaalsContact O-N 3.14Å; C251-Y254 PolarHBondContact O-N 3.34Å; C251-Y254 VanDerWaalsContact O-N 3.07Å
252S93.9Very high93.4Very high1 Ų126 Ų261%0.00714%0.14CC..G310 helixtrans-65.8-14.2179.861.70000113.9V248 T250 Y254 C255 Y259V248-S252 WeakPolarHBondContact O-CB 3.47Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 3.47Å; T250-S252 PolarHBondContact O-N 3.41Å; S252-Y254 PolarHBondContact O-N 3.44Å; S252-Y254 VanDerWaalsContact O-N 3.15Å; S252-C255 VanDerWaalsContact O-CB 3.29Å; S252-C255 WeakPolarHBondContact O-CB 3.48Å; S252-C255 PolarHBondContact O-N 3.24Å; S252-Y259 PolarHBondContact O-N 2.9Å; S252-Y259 WeakPolarHBondContact OG-CA 3.43Å
253K94.2Very high93.5Very high68 Ų6825.3 Ų25.330%0.29614%0.137SC..G310 helixtrans-51.4-33.4167.6178.1-177.1170.1-164.60112.4E57 T250 C251 Y259E57-K253 HydrophobicContact CB-CD 4.34Å; E57-K253 HydrophobicContact CG-CD 4.09Å; T250-K253 WeakPolarHBondContact O-CB 3.12Å; T250-K253 PolarHBondContact O-N 3.27Å; C251-K253 PolarHBondContact O-N 2.88Å; C251-K253 VanDerWaalsContact O-N 3.14Å; K253-Y259 HydrophobicContact CB-CD1 4.36Å; K253-Y259 HydrophobicContact CB-CE1 3.69Å; K253-Y259 HydrophobicContact CG-CE1 4.16Å
254Y95.3Very high93.6Very high40 Ų4025.3 Ų25.316%0.15714%0.137CC..G310 helixtrans-88-4.3-177.3-57.3-60.5000113.7E57 M106 H107 L108 S112 C251 S252E57-Y254 VanDerWaalsContact CD-OH 3.3Å; E57-Y254 HydrophobicContact CG-CE2 4.49Å; E57-Y254 VanDerWaalsContact CG-OH 3.25Å; E57-Y254 WeakPolarHBondContact CG-OH 3.46Å; E57-Y254 PolarHBondContact OE1-OH 3.09Å; M106-Y254 CarbonylContact C-O 3.31Å; M106-Y254 VanDerWaalsContact CA-O 3.27Å; M106-Y254 WeakPolarHBondContact CA-O 3.42Å; H107-Y254 PolarHBondContact N-O 2.86Å; L108-Y254 HydrophobicContact CD2-CD2 4.35Å; L108-Y254 HydrophobicContact CD2-CG 4.45Å; S112-Y254 VanDerWaalsContact CB-CZ 3.44Å; C251-Y254 PolarHBondContact O-N 3.34Å; C251-Y254 VanDerWaalsContact O-N 3.07Å; S252-Y254 PolarHBondContact O-N 3.44Å; S252-Y254 VanDerWaalsContact O-N 3.15Å
255C94.9Very high93.6Very high9 Ų926.4 Ų26.46%0.06114%0.143CC..SBendtrans-76166.7179.2-66.50000113.1R104 S252 P257 P258R104-C255 WeakPolarHBondContact O-CA 3.16Å; R104-C255 VanDerWaalsContact O-CB 3.31Å; R104-C255 WeakPolarHBondContact O-CB 3.23Å; S252-C255 VanDerWaalsContact O-CB 3.29Å; S252-C255 WeakPolarHBondContact O-CB 3.48Å; S252-C255 PolarHBondContact O-N 3.24Å; C255-P257 CarbonylContact C-O 3.54Å; C255-P257 WeakPolarHBondContact CB-O 3.48Å; C255-P257 CarbonylContact O-C 3.53Å; C255-P258 VanDerWaalsContact O-CA 3.3Å; C255-P258 WeakPolarHBondContact O-CA 3.14Å
256N93.3Very high93.9Very high112 Ų11226.3 Ų26.360%0.59914%0.143SC*.SBendtrans-128108.8167.4-174.315.2000110.1R104 G105R104-N256 PolarHBondContact O-N 3.3Å; G105-N256 PolarHBondContact O-N 2.8Å
257P93.2Very high94.1Very high78 Ų7832.5 Ų32.551%0.50617%0.166SC..SBendcis-69.4152.10.428.2-33.4000113.1C255 T260C255-P257 CarbonylContact C-O 3.54Å; C255-P257 WeakPolarHBondContact CB-O 3.48Å; C255-P257 CarbonylContact O-C 3.53Å; P257-T260 HydrophobicContact CG-CG2 4.31Å; P257-T260 WeakPolarHBondContact O-CB 3.23Å
258P93.1Very high94.1Very high69 Ų6934.8 Ų34.845%0.44818%0.182SC..THydrogen-bonded Turntrans-66.3155.2179.928.5-35.5000111.5C255 T260C255-P258 VanDerWaalsContact O-CA 3.3Å; C255-P258 WeakPolarHBondContact O-CA 3.14Å; P258-T260 PolarHBondContact O-N 3.21Å; P258-T260 PolarHBondContact O-OG1 2.93Å
259Y92Very high93.9Very high45 Ų4536.8 Ų36.818%0.17620%0.199CC..THydrogen-bonded Turntrans57.328.2-180-53.3-68.2000114.4P73 V74 F75 H76 S252 K253P73-Y259 HydrophobicContact CB-CD1 3.65Å; P73-Y259 HydrophobicContact CB-CD2 3.69Å; P73-Y259 HydrophobicContact CB-CE1 3.48Å; P73-Y259 VanDerWaalsContact CB-CE1 3.48Å; P73-Y259 HydrophobicContact CB-CE2 3.54Å; P73-Y259 HydrophobicContact CB-CG 3.73Å; P73-Y259 VanDerWaalsContact CB-CZ 3.42Å; P73-Y259 HydrophobicContact CG-CD1 4.19Å; P73-Y259 HydrophobicContact CG-CE1 3.76Å; V74-Y259 WeakPolarHBondContact O-CB 3.18Å; F75-Y259 WeakPolarHBondContact CA-O 3.39Å; F75-Y259 AromaticContact CD1-CD1 3.87Å; F75-Y259 HydrophobicContact CD1-CD1 3.87Å; F75-Y259 HydrophobicContact CD1-CG 4.35Å; F75-Y259 AromaticContact CE1-CD1 3.55Å; F75-Y259 HydrophobicContact CE1-CD1 3.55Å; F75-Y259 HydrophobicContact CE1-CE1 4.14Å; F75-Y259 HydrophobicContact CE1-CG 4.39Å; H76-Y259 PolarHBondContact N-O 2.84Å; S252-Y259 PolarHBondContact O-N 2.9Å; S252-Y259 WeakPolarHBondContact OG-CA 3.43Å; K253-Y259 HydrophobicContact CB-CD1 4.36Å; K253-Y259 HydrophobicContact CB-CE1 3.69Å; K253-Y259 HydrophobicContact CG-CE1 4.16Å
260T92.3Very high93.8Very high26 Ų2642.1 Ų42.116%0.1623%0.228CC..EExtended strand (participates in β ladder)trans-117.9133.9178.7-56.70000110.7H76 P257 P258H76-T260 WeakPolarHBondContact O-CA 3.27Å; P257-T260 HydrophobicContact CG-CG2 4.31Å; P257-T260 WeakPolarHBondContact O-CB 3.23Å; P258-T260 PolarHBondContact O-N 3.21Å; P258-T260 PolarHBondContact O-OG1 2.93Å
261A93.2Very high93.7Very high2 Ų244.3 Ų44.32%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-127147.5171.100000110.7H76 V77 G78 L103 V248H76-A261 PolarHBondContact O-N 3.18Å; V77-A261 CarbonylContact C-O 3.55Å; V77-A261 VanDerWaalsContact CA-O 3.27Å; V77-A261 WeakPolarHBondContact CA-O 3.14Å; G78-A261 PolarHBondContact N-O 3.45Å; L103-A261 HydrophobicContact CD2-CB 3.65Å; V248-A261 HydrophobicContact CG1-CB 3.39Å; V248-A261 HydrophobicContact CG2-CB 4.47Å
262E93.9Very high93.7Very high43 Ų4346.9 Ų46.920%0.20127%0.271CS..EExtended strand (participates in β ladder)trans-99.8138.7174.6-61.8-178.2178.800110.4S81 V102 R104S81-E262 WeakPolarHBondContact CA-OE2 3.49Å; S81-E262 WeakPolarHBondContact CB-OE2 3.25Å; V102-E262 HydrophobicContact CB-CB 4.21Å; V102-E262 PolarHBondContact N-O 3.41Å; V102-E262 PolarHBondContact O-N 2.92Å; R104-E262 WeakPolarHBondContact CD-OE1 3.23Å; R104-E262 IonicContact CZ-OE1 2.74Å; R104-E262 IonicContact CZ-OE2 3.43Å; R104-E262 VanDerWaalsContact CZ-OE2 3.25Å; R104-E262 IonicContact NE-OE1 2.63Å; R104-E262 PolarHBondContact NE-OE1 3.09Å; R104-E262 IonicContact NE-OE2 2.65Å; R104-E262 PolarHBondContact NE-OE2 3.12Å; R104-E262 IonicContact NH2-OE2 2.88Å; R104-E262 PolarHBondContact NH2-OE2 3Å
263A94.3Very high93.6Very high4 Ų451.2 Ų51.23%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-77.4136.3-175.800000112.2V77 G79 L80 S81 Y276V77-A263 HydrophobicContact CG1-CB 3.84Å; G79-A263 PolarHBondContact O-N 3.12Å; L80-A263 HydrophobicContact CD2-CB 4.32Å; S81-A263 WeakPolarHBondContact CB-O 3.38Å; S81-A263 PolarHBondContact N-O 3.06Å; S81-A263 PolarHBondContact OG-O 3.18Å; A263-Y276 CarbonylContact C-O 3.47Å; A263-Y276 WeakPolarHBondContact CA-O 3.43Å; A263-Y276 WeakPolarHBondContact CB-O 3.38Å
264V95.9Very high93.6Very high0 Ų051.8 Ų51.80%030%0.3CS..EExtended strand (participates in β ladder)trans-99.1130.8173.1176.50000109.3V83 V85 A100 V102 L229 S275 Y276V83-V264 HydrophobicContact CB-CG1 4.37Å; V83-V264 HydrophobicContact CB-CG2 4.23Å; V83-V264 HydrophobicContact CG1-CG1 3.93Å; V83-V264 HydrophobicContact CG1-CG2 4.28Å; V85-V264 HydrophobicContact CG2-CG1 3.78Å; A100-V264 HydrophobicContact CB-CB 3.97Å; A100-V264 HydrophobicContact CB-CG1 3.87Å; A100-V264 HydrophobicContact CB-CG2 4.12Å; A100-V264 WeakPolarHBondContact O-CB 3.08Å; V102-V264 HydrophobicContact CG2-CG2 3.72Å; L229-V264 HydrophobicContact CD1-CG2 4.14Å; V264-S275 VanDerWaalsContact O-CA 3.32Å; V264-S275 WeakPolarHBondContact O-CA 3.31Å; V264-Y276 PolarHBondContact N-O 2.93Å; V264-Y276 PolarHBondContact O-N 2.8Å
265T96.7Very high93.5Very high23 Ų2352 Ų5214%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-83.6116.9175-58.20000110.1V83 T84 V85 R267 S275V83-T265 PolarHBondContact O-N 3.19Å; V83-T265 VanDerWaalsContact O-N 3.09Å; T84-T265 CarbonylContact C-O 2.91Å; T84-T265 VanDerWaalsContact CA-O 3.25Å; T84-T265 WeakPolarHBondContact CA-O 3.47Å; V85-T265 PolarHBondContact N-O 3.47Å; T265-R267 HydrophobicContact CG2-CG 4.37Å; T265-S275 PolarHBondContact OG1-OG 3.24Å
266V97.1Very high93.5Very high5 Ų552.2 Ų52.23%0.0331%0.307CS..EExtended strand (participates in β ladder)trans-97.1124.2172.2178.80000108.8V85 V87 I98 T273 K274 Y276V85-V266 HydrophobicContact CB-CG2 4.44Å; V85-V266 CarbonylContact O-C 3.48Å; V85-V266 WeakPolarHBondContact O-CA 3.33Å; V87-V266 HydrophobicContact CG2-CG1 3.64Å; I98-V266 HydrophobicContact CG2-CG1 4.01Å; V266-T273 WeakPolarHBondContact O-CA 3.27Å; V266-K274 PolarHBondContact N-O 3.49Å; V266-K274 PolarHBondContact O-N 3.22Å; V266-Y276 HydrophobicContact CB-CD2 4.03Å; V266-Y276 HydrophobicContact CB-CE2 3.9Å; V266-Y276 HydrophobicContact CG2-CD2 3.57Å; V266-Y276 HydrophobicContact CG2-CE2 3.87Å
267R96.8Very high93.3Very high131 Ų13146.9 Ų46.949%0.49428%0.278SS..EExtended strand (participates in β ladder)trans-104.8111.2176.1-55.4-168.8178.2-173.10.8109.3T84 V85 V87 T265 T273T84-R267 HydrophobicContact CG2-CG 3.79Å; V85-R267 PolarHBondContact O-N 3.23Å; V87-R267 PolarHBondContact N-O 3.36Å; T265-R267 HydrophobicContact CG2-CG 4.37Å; R267-T273 HydrophobicContact CB-CG2 4.18Å; R267-T273 HydrophobicContact CG-CG2 3.72Å
268S94.4Very high92.4Very high47 Ų4745.3 Ų45.333%0.32927%0.267SS..  trans-72.6159.4178.1-62.90000111.8D270 G271 S272S268-D270 WeakPolarHBondContact CB-OD1 3.38Å; S268-D270 PolarHBondContact O-N 3.42Å; S268-G271 PolarHBondContact O-N 2.88Å; S268-S272 VanDerWaalsContact CB-OG 3.28Å; S268-S272 WeakPolarHBondContact CB-OG 3.4Å; S268-S272 PolarHBondContact N-O 3.34Å; S268-S272 PolarHBondContact OG-OG 2.94Å
269A89.8Confident90.7Very high47 Ų4746.1 Ų46.139%0.38827%0.273SS..THydrogen-bonded Turntrans-61.8-23.5178.900000114.1V87 D89 G271V87-A269 WeakPolarHBondContact O-CA 3.42Å; V87-A269 WeakPolarHBondContact O-CB 3.32Å; V87-A269 PolarHBondContact O-N 3.29Å; D89-A269 HydrophobicContact CB-CB 3.88Å; A269-G271 PolarHBondContact O-N 3.39Å
270D90.2Very high88.9Confident118 Ų11847.2 Ų47.263%0.63129%0.285SS*.THydrogen-bonded Turntrans-80.40.7175.164.70.3000113.6S268 S272S268-D270 WeakPolarHBondContact CB-OD1 3.38Å; S268-D270 PolarHBondContact O-N 3.42Å; D270-S272 VanDerWaalsContact C-N 3.31Å; D270-S272 VanDerWaalsContact OD1-CB 3.24Å; D270-S272 WeakPolarHBondContact OD1-CB 3.32Å; D270-S272 PolarHBondContact OD1-N 3.28Å; D270-S272 PolarHBondContact OD1-OG 3.21Å; D270-S272 PolarHBondContact OD2-OG 2.82Å
271G88.9Confident87Confident60 Ų6046.7 Ų46.762%0.61928%0.281SS*.SBendtrans85.4-4.8-177.200000114.4S268 A269S268-G271 PolarHBondContact O-N 2.88Å; A269-G271 PolarHBondContact O-N 3.39Å
272S93.4Very high85Confident57 Ų5753.4 Ų53.440%0.39932%0.316SS..  trans-67.2146.5172.868.40000110.7S268 D270S268-S272 VanDerWaalsContact CB-OG 3.28Å; S268-S272 WeakPolarHBondContact CB-OG 3.4Å; S268-S272 PolarHBondContact N-O 3.34Å; S268-S272 PolarHBondContact OG-OG 2.94Å; D270-S272 VanDerWaalsContact C-N 3.31Å; D270-S272 VanDerWaalsContact OD1-CB 3.24Å; D270-S272 WeakPolarHBondContact OD1-CB 3.32Å; D270-S272 PolarHBondContact OD1-N 3.28Å; D270-S272 PolarHBondContact OD1-OG 3.21Å; D270-S272 PolarHBondContact OD2-OG 2.82Å
273T93.8Very high83.3Confident91 Ų9154 Ų5456%0.55832%0.323SS*.EExtended strand (participates in β ladder)trans-127.1134.7178670000109.8V266 R267V266-T273 WeakPolarHBondContact O-CA 3.27Å; R267-T273 HydrophobicContact CB-CG2 4.18Å; R267-T273 HydrophobicContact CG-CG2 3.72Å
274K94.2Very high82.1Confident80 Ų8057.3 Ų57.335%0.34834%0.342SS..EExtended strand (participates in β ladder)trans-136.4139.7176.6-170.1168172-155.60108.6E241 V266 Y276 V278E241-K274 IonicContact OE1-NZ 2.82Å; E241-K274 PolarHBondContact OE1-NZ 2.89Å; V266-K274 PolarHBondContact N-O 3.49Å; V266-K274 PolarHBondContact O-N 3.22Å; K274-Y276 HydrophobicContact CB-CE2 3.97Å; K274-Y276 HydrophobicContact CD-CE1 4.21Å; K274-Y276 HydrophobicContact CD-CE2 4.34Å; K274-Y276 WeakPolarHBondContact CD-OH 3.42Å; K274-Y276 HydrophobicContact CG-CE1 4.43Å; K274-Y276 HydrophobicContact CG-CE2 4.01Å; K274-V278 VanDerWaalsContact CE-CG2 3.41Å
275S93.2Very high81.2Confident45 Ų4562.7 Ų62.732%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-101.3138.4178.1-59.80000110.1V264 T265V264-S275 VanDerWaalsContact O-CA 3.32Å; V264-S275 WeakPolarHBondContact O-CA 3.31Å; T265-S275 PolarHBondContact OG1-OG 3.24Å
276Y93.4Very high80.5Confident14 Ų1462.4 Ų62.46%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-124.7147.2-177.9-66-83.7000110.8V99 A100 E241 A263 V264 V266 K274 V278V99-Y276 HydrophobicContact CB-CD1 3.85Å; V99-Y276 HydrophobicContact CB-CD2 4.27Å; V99-Y276 HydrophobicContact CB-CE1 4.15Å; V99-Y276 HydrophobicContact CB-CG 3.9Å; V99-Y276 HydrophobicContact CG1-CD1 3.65Å; V99-Y276 HydrophobicContact CG1-CD2 4.24Å; V99-Y276 HydrophobicContact CG1-CE1 3.42Å; V99-Y276 VanDerWaalsContact CG1-CE1 3.42Å; V99-Y276 HydrophobicContact CG1-CE2 4.02Å; V99-Y276 HydrophobicContact CG1-CG 4.05Å; A100-Y276 CarbonylContact O-C 3.49Å; A100-Y276 VanDerWaalsContact O-CB 3.22Å; A100-Y276 WeakPolarHBondContact O-CB 3.49Å; E241-Y276 HydrophobicContact CG-CD1 4.37Å; E241-Y276 HydrophobicContact CG-CE1 3.93Å; E241-Y276 WeakPolarHBondContact OE1-CE1 3.41Å; A263-Y276 CarbonylContact C-O 3.47Å; A263-Y276 WeakPolarHBondContact CA-O 3.43Å; A263-Y276 WeakPolarHBondContact CB-O 3.38Å; V264-Y276 PolarHBondContact N-O 2.93Å; V264-Y276 PolarHBondContact O-N 2.8Å; V266-Y276 HydrophobicContact CB-CD2 4.03Å; V266-Y276 HydrophobicContact CB-CE2 3.9Å; V266-Y276 HydrophobicContact CG2-CD2 3.57Å; V266-Y276 HydrophobicContact CG2-CE2 3.87Å; K274-Y276 HydrophobicContact CB-CE2 3.97Å; K274-Y276 HydrophobicContact CD-CE1 4.21Å; K274-Y276 HydrophobicContact CD-CE2 4.34Å; K274-Y276 WeakPolarHBondContact CD-OH 3.42Å; K274-Y276 HydrophobicContact CG-CE1 4.43Å; K274-Y276 HydrophobicContact CG-CE2 4.01Å; Y276-V278 HydrophobicContact CD1-CG2 3.48Å; Y276-V278 VanDerWaalsContact CD1-CG2 3.48Å; Y276-V278 HydrophobicContact CE1-CG2 3.51Å
277P89.6Confident80Confident0 Ų065.1 Ų65.10%038%0.381CS..SBendcis-62143.9-4.629.3-34.6000110.4V77 L244 D245 C279 L281V77-P277 HydrophobicContact CG2-CG 4.14Å; L244-P277 HydrophobicContact CD2-CB 4.5Å; D245-P277 VanDerWaalsContact OD1-CB 3.25Å; D245-P277 WeakPolarHBondContact OD1-CB 3.35Å; P277-C279 PolarHBondContact O-N 3.1Å; P277-L281 HydrophobicContact CB-CD1 4.22Å; P277-L281 HydrophobicContact CG-CD1 3.85Å
278V73.8Confident79.7Confident45 Ų4559.3 Ų59.327%0.27336%0.36SS..  trans-65.3132.1178.6-1700000105.6K274 Y276 T280K274-V278 VanDerWaalsContact CE-CG2 3.41Å; Y276-V278 HydrophobicContact CD1-CG2 3.48Å; Y276-V278 VanDerWaalsContact CD1-CG2 3.48Å; Y276-V278 HydrophobicContact CE1-CG2 3.51Å; V278-T280 PolarHBondContact O-N 2.93Å; V278-T280 PolarHBondContact O-OG1 3.4Å
279C57.4Low79.6Confident85 Ų8558.6 Ų58.657%0.57436%0.355SS*.SBendtrans-65.635.9-171-64.80000115.6P277 L281P277-C279 PolarHBondContact O-N 3.1Å; C279-L281 PolarHBondContact O-N 2.87Å; C279-L281 VanDerWaalsContact O-N 3.14Å
280T54.7Low79.7Confident69 Ų6956.9 Ų56.942%0.42334%0.34SS..G310 helixtrans-60-9.71630.70000112.8V278 L282 T283 V284V278-T280 PolarHBondContact O-N 2.93Å; V278-T280 PolarHBondContact O-OG1 3.4Å; T280-L282 PolarHBondContact O-N 3.48Å; T280-T283 PolarHBondContact O-N 2.96Å; T280-T283 VanDerWaalsContact O-N 3.09Å; T280-V284 HydrophobicContact CG2-CG2 4.25Å
281L52Low79.8Confident14 Ų1458 Ų587%0.07334%0.341CS..G310 helixtrans-58.1-5.8176.7-82.3157.7000115.6F75 V77 P277 C279 P332F75-L281 HydrophobicContact CB-CD2 3.26Å; F75-L281 HydrophobicContact CG-CD2 4.22Å; V77-L281 HydrophobicContact CG2-CB 4.16Å; V77-L281 HydrophobicContact CG2-CD1 3.17Å; V77-L281 HydrophobicContact CG2-CG 4.23Å; P277-L281 HydrophobicContact CB-CD1 4.22Å; P277-L281 HydrophobicContact CG-CD1 3.85Å; C279-L281 PolarHBondContact O-N 2.87Å; C279-L281 VanDerWaalsContact O-N 3.14Å; L281-P332 HydrophobicContact CD2-CB 3.53Å; L281-P332 HydrophobicContact CD2-CG 3.38Å; L281-P332 HydrophobicContact CG-CB 4.03Å; L281-P332 HydrophobicContact CG-CG 4.37Å
282L51Low80Confident144 Ų14457.7 Ų57.775%0.75432%0.324SS*.G310 helixtrans-99.77174.8-73.1172.7000115.2T280T280-L282 PolarHBondContact O-N 3.48Å
283T59.7Low80.1Confident56 Ų5655 Ų5534%0.34431%0.305SS..  trans97.5134.3170.874.30000115.5T280 L329 V330T280-T283 PolarHBondContact O-N 2.96Å; T280-T283 VanDerWaalsContact O-N 3.09Å; T283-L329 HydrophobicContact CG2-CB 3.64Å; T283-L329 WeakPolarHBondContact OG1-CD2 3.38Å; T283-V330 VanDerWaalsContact CA-O 3.27Å; T283-V330 WeakPolarHBondContact CA-O 3.32Å; T283-V330 WeakPolarHBondContact CB-O 3.43Å
284V69Low80.2Confident73 Ų7351.9 Ų51.944%0.44229%0.285SS..EExtended strand (participates in β ladder)trans-81.2127.4165.9178.30000107.2T280 I328 V330T280-V284 HydrophobicContact CG2-CG2 4.25Å; V284-I328 VanDerWaalsContact O-O 3.11Å; V284-V330 HydrophobicContact CB-CB 4.16Å; V284-V330 PolarHBondContact N-O 3.36Å; V284-V330 PolarHBondContact O-N 3.44Å
285E76.7Confident80.3Confident112 Ų11255.5 Ų55.552%0.52330%0.301SS..EExtended strand (participates in β ladder)trans-89.1119.2178.1-168.4169.1-151.500109.9H327 I328E285-H327 HydrophobicContact CG-CB 4.04Å; E285-H327 WeakPolarHBondContact OE1-CB 3.39Å; E285-H327 IonicContact OE1-CG 2.94Å; E285-H327 IonicContact OE1-ND1 3.25Å; E285-H327 PolarHBondContact OE1-ND1 2.91Å; E285-I328 WeakPolarHBondContact CA-O 3.38Å
286I82.6Confident80.4Confident17 Ų1761.1 Ų61.19%0.08732%0.315CS..EExtended strand (participates in β ladder)trans-109.4127.9170.5-67-179.9000108.3I328 V330 I337 P340 V343I286-I328 PolarHBondContact N-O 3.04Å; I286-I328 VanDerWaalsContact O-CD1 3.26Å; I286-I328 WeakPolarHBondContact O-CD1 3.43Å; I286-I328 PolarHBondContact O-N 3.27Å; I286-V330 HydrophobicContact CD1-CG2 3.96Å; I286-V330 HydrophobicContact CG1-CG2 4.31Å; I286-I337 HydrophobicContact CD1-CG2 3.32Å; I286-P340 HydrophobicContact CG2-CB 4.18Å; I286-P340 HydrophobicContact CG2-CG 3.97Å; I286-V343 HydrophobicContact CD1-CG2 3.97Å; I286-V343 HydrophobicContact CG2-CG2 4.17Å
287T86.4Confident80.5Confident62 Ų6261.4 Ų61.438%0.3832%0.317SS..EExtended strand (participates in β ladder)trans-100.8126.4177.1-46.60000110.2M325 M326 H327T287-M325 HydrophobicContact CG2-CB 3.66Å; T287-M325 HydrophobicContact CG2-CE 3.66Å; T287-M325 HydrophobicContact CG2-CG 4.23Å; T287-M326 WeakPolarHBondContact CA-O 3.14Å; T287-H327 VanDerWaalsContact CG2-CE1 3.47Å; T287-H327 WeakPolarHBondContact CG2-CE1 3.47Å; T287-H327 PolarHBondContact OG1-ND1 2.9Å; T287-H327 VanDerWaalsContact OG1-ND1 3.15Å
288L89.1Confident80.8Confident10 Ų1063.5 Ų63.55%0.05234%0.339CS..EExtended strand (participates in β ladder)trans-142.7137.6-177-175.257.7000111.7E292 V293 M326 I328 P340 V343 I344L288-E292 HydrophobicContact CD1-CB 4.16Å; L288-E292 HydrophobicContact CD1-CG 4.12Å; L288-V293 HydrophobicContact CD2-CG2 3.37Å; L288-V293 HydrophobicContact CG-CG2 3.77Å; L288-M326 PolarHBondContact N-O 3.31Å; L288-M326 PolarHBondContact O-N 3.48Å; L288-I328 HydrophobicContact CB-CD1 3.94Å; L288-P340 HydrophobicContact CD1-CB 3.9Å; L288-V343 HydrophobicContact CD2-CB 4.41Å; L288-V343 HydrophobicContact CD2-CG1 4.23Å; L288-I344 HydrophobicContact CD1-CD1 4.36Å; L288-I344 HydrophobicContact CD2-CD1 4.22Å; L288-I344 HydrophobicContact CD2-CG1 3.67Å
289S92Very high81.8Confident32 Ų3262.1 Ų62.122%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-82144.9176.1750000111.7E291 E292 V293S289-E291 PolarHBondContact O-N 2.9Å; S289-E292 PolarHBondContact O-N 3.41Å; S289-E292 VanDerWaalsContact OG-CB 3.28Å; S289-E292 WeakPolarHBondContact OG-CB 3.38Å; S289-E292 PolarHBondContact OG-N 3.5Å; S289-E292 VanDerWaalsContact OG-N 3.15Å; S289-V293 PolarHBondContact O-N 2.87Å
290V92Very high83.6Confident11 Ų1167 Ų677%0.06734%0.344CS..Hα-helixtrans-58.8-37.9174.7172.40000111.5V293 N294 A303 I306 N324 M326V290-V293 PolarHBondContact O-N 3.35Å; V290-N294 PolarHBondContact O-N 3Å; V290-N294 VanDerWaalsContact O-N 3.09Å; V290-N294 PolarHBondContact O-ND2 3.31Å; V290-A303 HydrophobicContact CG2-CB 3.7Å; V290-I306 HydrophobicContact CB-CD1 4.43Å; V290-I306 HydrophobicContact CG1-CD1 3.8Å; V290-N324 PolarHBondContact N-O 3.14Å; V290-M326 HydrophobicContact CG2-CE 3.75Å; V290-M326 HydrophobicContact CG2-CG 4.24Å; V290-M326 HydrophobicContact CG2-SD 4.05Å
291E93.2Very high85.5Confident140 Ų14065 Ų6565%0.65433%0.331SS*.Hα-helixtrans-63.6-43.1179-172.3-177.4168.300111.9S289 V293 N294 K295S289-E291 PolarHBondContact O-N 2.9Å; E291-V293 PolarHBondContact O-N 3.3Å; E291-N294 PolarHBondContact O-N 3.02Å; E291-K295 WeakPolarHBondContact O-CB 3.36Å; E291-K295 PolarHBondContact O-N 3.43Å
292E93.9Very high87.4Confident54 Ų5468.3 Ų68.325%0.25235%0.348SS..Hα-helixtrans-65.7-40.3179.6-175.766.5-179.100111.1L288 S289 K295 R296 I344L288-E292 HydrophobicContact CD1-CB 4.16Å; L288-E292 HydrophobicContact CD1-CG 4.12Å; S289-E292 PolarHBondContact O-N 3.41Å; S289-E292 VanDerWaalsContact OG-CB 3.28Å; S289-E292 WeakPolarHBondContact OG-CB 3.38Å; S289-E292 PolarHBondContact OG-N 3.5Å; S289-E292 VanDerWaalsContact OG-N 3.15Å; E292-K295 PolarHBondContact O-N 2.89Å; E292-R296 HydrophobicContact CG-CG 4.19Å; E292-R296 VanDerWaalsContact O-CB 3.26Å; E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 WeakPolarHBondContact O-CG 3.3Å; E292-R296 PolarHBondContact O-N 3.25Å; E292-R296 IonicContact OE1-CZ 2.79Å; E292-R296 VanDerWaalsContact OE1-CZ 3.27Å; E292-R296 IonicContact OE1-NE 3.46Å; E292-R296 PolarHBondContact OE1-NE 2.95Å; E292-R296 IonicContact OE1-NH2 3.25Å; E292-R296 PolarHBondContact OE1-NH2 2.96Å; E292-I344 HydrophobicContact CG-CD1 4.4Å
293V95.3Very high89.3Confident1 Ų162.2 Ų62.21%0.00632%0.319CS..Hα-helixtrans-57.4-54.8174.4176.70000110.5L288 S289 V290 E291 K295 R296 I297 I306 M326 I344 V347L288-V293 HydrophobicContact CD2-CG2 3.37Å; L288-V293 HydrophobicContact CG-CG2 3.77Å; S289-V293 PolarHBondContact O-N 2.87Å; V290-V293 PolarHBondContact O-N 3.35Å; E291-V293 PolarHBondContact O-N 3.3Å; V293-K295 PolarHBondContact O-N 2.9Å; V293-R296 PolarHBondContact O-N 3.46Å; V293-I297 HydrophobicContact CG1-CD1 3.71Å; V293-I297 VanDerWaalsContact O-CG1 3.32Å; V293-I297 WeakPolarHBondContact O-CG1 3.13Å; V293-I297 PolarHBondContact O-N 3.41Å; V293-I306 HydrophobicContact CB-CD1 4.15Å; V293-I306 HydrophobicContact CG1-CD1 3.94Å; V293-I306 HydrophobicContact CG1-CG1 4.41Å; V293-I306 HydrophobicContact CG1-CG2 4.34Å; V293-M326 HydrophobicContact CG2-CE 4.29Å; V293-I344 HydrophobicContact CG2-CG1 4.27Å; V293-V347 HydrophobicContact CG1-CB 4.34Å; V293-V347 HydrophobicContact CG1-CG1 3.87Å; V293-V347 HydrophobicContact CG1-CG2 4.34Å
294N95.6Very high90.9Very high25 Ų2564 Ų6413%0.13433%0.333CS..Hα-helixtrans-60.4-46.1-178.3-80.3-27.2000111.9V290 E291 R296 G298 I299 L301V290-N294 PolarHBondContact O-N 3Å; V290-N294 VanDerWaalsContact O-N 3.09Å; V290-N294 PolarHBondContact O-ND2 3.31Å; E291-N294 PolarHBondContact O-N 3.02Å; N294-R296 PolarHBondContact O-N 3.5Å; N294-G298 WeakPolarHBondContact O-CA 3.23Å; N294-G298 PolarHBondContact O-N 3.29Å; N294-I299 CarbonylContact C-O 3.47Å; N294-I299 WeakPolarHBondContact CA-O 3.27Å; N294-I299 WeakPolarHBondContact CB-O 3.24Å; N294-I299 PolarHBondContact O-N 2.93Å; N294-I299 PolarHBondContact OD1-O 3.48Å; N294-L301 PolarHBondContact ND2-O 2.97Å; N294-L301 PolarHBondContact OD1-N 2.93Å
295K95Very high92Very high156 Ų15664.6 Ų64.668%0.67833%0.331SS*.Hα-helixtrans-63.6-40.4-179.9-177.8-179.7179.1-178.50112.6E291 E292 V293E291-K295 WeakPolarHBondContact O-CB 3.36Å; E291-K295 PolarHBondContact O-N 3.43Å; E292-K295 PolarHBondContact O-N 2.89Å; V293-K295 PolarHBondContact O-N 2.9Å
296R96.1Very high92.9Very high163 Ų16359.2 Ų59.262%0.61531%0.307SS*.Hα-helixtrans-72.8-39.1-178.9-72.2-73.3-177.3167.76112.6E292 V293 N294 I344E292-R296 HydrophobicContact CG-CG 4.19Å; E292-R296 VanDerWaalsContact O-CB 3.26Å; E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 WeakPolarHBondContact O-CG 3.3Å; E292-R296 PolarHBondContact O-N 3.25Å; E292-R296 IonicContact OE1-CZ 2.79Å; E292-R296 VanDerWaalsContact OE1-CZ 3.27Å; E292-R296 IonicContact OE1-NE 3.46Å; E292-R296 PolarHBondContact OE1-NE 2.95Å; E292-R296 IonicContact OE1-NH2 3.25Å; E292-R296 PolarHBondContact OE1-NH2 2.96Å; V293-R296 PolarHBondContact O-N 3.46Å; N294-R296 PolarHBondContact O-N 3.5Å; R296-I344 HydrophobicContact CB-CD1 4.14Å; R296-I344 HydrophobicContact CB-CG2 3.98Å; R296-I344 HydrophobicContact CG-CD1 3.99Å
297I96.3Very high93.3Very high20 Ų2059.4 Ų59.410%0.10331%0.311CS..Hα-helixtrans-83.5-31.4-178.3-57.6173.2000111.4V293 I299 I344 V347 A348 I356V293-I297 HydrophobicContact CG1-CD1 3.71Å; V293-I297 VanDerWaalsContact O-CG1 3.32Å; V293-I297 WeakPolarHBondContact O-CG1 3.13Å; V293-I297 PolarHBondContact O-N 3.41Å; I297-I299 HydrophobicContact CB-CD1 4.21Å; I297-I299 HydrophobicContact CB-CG1 4.02Å; I297-I299 HydrophobicContact CD1-CD1 4.11Å; I297-I299 HydrophobicContact CG2-CD1 3.88Å; I297-I299 HydrophobicContact CG2-CG1 3.98Å; I297-I299 HydrophobicContact CG2-CG2 3.92Å; I297-I344 HydrophobicContact CD1-CG2 3.9Å; I297-I344 HydrophobicContact CG1-CG2 3.54Å; I297-V347 HydrophobicContact CD1-CB 3.86Å; I297-V347 HydrophobicContact CD1-CG1 3.58Å; I297-A348 HydrophobicContact CD1-CB 4.03Å; I297-A348 HydrophobicContact CG1-CB 4.19Å; I297-A348 HydrophobicContact CG2-CB 4.12Å; I297-I356 HydrophobicContact CG2-CD1 3.59Å; I297-I356 HydrophobicContact CG2-CG1 4.14Å; I297-I356 WeakPolarHBondContact O-CG2 3.27Å
298G95.3Very high93.6Very high44 Ų4459.9 Ų59.945%0.45432%0.316SS..THydrogen-bonded Turntrans83.638.6-172.400000112.7N294N294-G298 WeakPolarHBondContact O-CA 3.23Å; N294-G298 PolarHBondContact O-N 3.29Å
299I95.6Very high93.9Very high17 Ų1760.3 Ų60.39%0.08732%0.318CS..  trans-128.1169.8176.863.5-179.9000110.1N294 I297 L301 Y351 I356N294-I299 CarbonylContact C-O 3.47Å; N294-I299 WeakPolarHBondContact CA-O 3.27Å; N294-I299 WeakPolarHBondContact CB-O 3.24Å; N294-I299 PolarHBondContact O-N 2.93Å; N294-I299 PolarHBondContact OD1-O 3.48Å; I297-I299 HydrophobicContact CB-CD1 4.21Å; I297-I299 HydrophobicContact CB-CG1 4.02Å; I297-I299 HydrophobicContact CD1-CD1 4.11Å; I297-I299 HydrophobicContact CG2-CD1 3.88Å; I297-I299 HydrophobicContact CG2-CG1 3.98Å; I297-I299 HydrophobicContact CG2-CG2 3.92Å; I299-L301 HydrophobicContact CD1-CD1 3.63Å; I299-L301 HydrophobicContact CD1-CG 3.97Å; I299-L301 HydrophobicContact CG1-CG 4.36Å; I299-Y351 HydrophobicContact CD1-CD2 4.32Å; I299-Y351 HydrophobicContact CD1-CG 4.3Å; I299-Y351 HydrophobicContact CG2-CD1 4.14Å; I299-Y351 HydrophobicContact CG2-CE1 3.64Å; I299-I356 HydrophobicContact CG2-CG1 4.23Å; I299-I356 HydrophobicContact CG2-CG2 4.41Å
300E95.2Very high94Very high187 Ų18758.9 Ų58.987%0.87431%0.308SS*.  trans-131.489.8178.8-168.9173.8-169.300109.2
301L93.9Very high94Very high27 Ų2763.9 Ų63.914%0.14133%0.328CS..  trans-119.4149.7178.4-63.5-177000111.1N294 I299 E305 I306 L309 Y351N294-L301 PolarHBondContact ND2-O 2.97Å; N294-L301 PolarHBondContact OD1-N 2.93Å; I299-L301 HydrophobicContact CD1-CD1 3.63Å; I299-L301 HydrophobicContact CD1-CG 3.97Å; I299-L301 HydrophobicContact CG1-CG 4.36Å; L301-E305 WeakPolarHBondContact CA-OE2 3.2Å; L301-E305 HydrophobicContact CB-CB 4.07Å; L301-E305 HydrophobicContact CD1-CB 4.42Å; L301-E305 HydrophobicContact CD2-CB 4.29Å; L301-E305 HydrophobicContact CG-CB 4.5Å; L301-I306 HydrophobicContact CB-CD1 4.33Å; L301-I306 HydrophobicContact CB-CG1 3.84Å; L301-I306 HydrophobicContact CD1-CG1 4.37Å; L301-L309 HydrophobicContact CD1-CD1 3.54Å; L301-Y351 HydrophobicContact CD1-CD2 3.95Å; L301-Y351 HydrophobicContact CD1-CE2 4.17Å; L301-Y351 HydrophobicContact CD2-CE2 4.34Å
302N92.1Very high94Very high83 Ų8359.1 Ų59.144%0.44430%0.304SS..  trans-81.6167.3170.270.458.5000111.4S304 E305 I306N302-S304 VanDerWaalsContact C-N 3.28Å; N302-S304 PolarHBondContact O-N 2.53Å; N302-S304 WeakPolarHBondContact OD1-CA 3.49Å; N302-S304 VanDerWaalsContact OD1-CB 3.31Å; N302-S304 WeakPolarHBondContact OD1-CB 3.23Å; N302-S304 PolarHBondContact OD1-N 3.05Å; N302-E305 VanDerWaalsContact CG-OE2 3.3Å; N302-E305 PolarHBondContact N-OE2 3.4Å; N302-E305 VanDerWaalsContact ND2-CD 3.26Å; N302-E305 PolarHBondContact ND2-OE2 3.26Å; N302-E305 PolarHBondContact O-N 2.99Å; N302-E305 VanDerWaalsContact O-N 3.13Å; N302-E305 PolarHBondContact OD1-N 3.34Å; N302-I306 PolarHBondContact O-N 3.12Å
303A91.6Very high94Very high17 Ų1757.1 Ų57.114%0.1430%0.295CS..Hα-helixtrans-60-34.7-176.900000114.1V290 I306 A307 V320 M326V290-A303 HydrophobicContact CG2-CB 3.7Å; A303-I306 PolarHBondContact O-N 3.36Å; A303-A307 VanDerWaalsContact O-CB 3.27Å; A303-A307 WeakPolarHBondContact O-CB 3.18Å; A303-A307 PolarHBondContact O-N 3.27Å; A303-V320 HydrophobicContact CB-CG2 3.36Å; A303-M326 HydrophobicContact CB-SD 4.24Å
304S91.2Very high93.9Very high92 Ų9257.6 Ų57.664%0.64330%0.3SS*.Hα-helixtrans-68.1-36.3177.9-176.30000111.9N302 C308N302-S304 VanDerWaalsContact C-N 3.28Å; N302-S304 PolarHBondContact O-N 2.53Å; N302-S304 WeakPolarHBondContact OD1-CA 3.49Å; N302-S304 VanDerWaalsContact OD1-CB 3.31Å; N302-S304 WeakPolarHBondContact OD1-CB 3.23Å; N302-S304 PolarHBondContact OD1-N 3.05Å; S304-C308 WeakPolarHBondContact O-CB 3.26Å; S304-C308 PolarHBondContact O-N 2.78Å; S304-C308 VanDerWaalsContact O-N 3.09Å
305E93.9Very high93.7Very high86 Ų8656.4 Ų56.440%0.40229%0.294SS..Hα-helixtrans-68.6-44.9176.2-69.5170.3140.300110.6L301 N302 C308 L309L301-E305 WeakPolarHBondContact CA-OE2 3.2Å; L301-E305 HydrophobicContact CB-CB 4.07Å; L301-E305 HydrophobicContact CD1-CB 4.42Å; L301-E305 HydrophobicContact CD2-CB 4.29Å; L301-E305 HydrophobicContact CG-CB 4.5Å; N302-E305 VanDerWaalsContact CG-OE2 3.3Å; N302-E305 PolarHBondContact N-OE2 3.4Å; N302-E305 VanDerWaalsContact ND2-CD 3.26Å; N302-E305 PolarHBondContact ND2-OE2 3.26Å; N302-E305 PolarHBondContact O-N 2.99Å; N302-E305 VanDerWaalsContact O-N 3.13Å; N302-E305 PolarHBondContact OD1-N 3.34Å; E305-C308 WeakPolarHBondContact O-CB 3.48Å; E305-C308 PolarHBondContact O-N 3.35Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 3.34Å
306I94.2Very high93.3Very high0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-63.3-43.9176.6-61.9168000111V290 V293 L301 N302 A303 C308 L309 L310 M326 V347V290-I306 HydrophobicContact CB-CD1 4.43Å; V290-I306 HydrophobicContact CG1-CD1 3.8Å; V293-I306 HydrophobicContact CB-CD1 4.15Å; V293-I306 HydrophobicContact CG1-CD1 3.94Å; V293-I306 HydrophobicContact CG1-CG1 4.41Å; V293-I306 HydrophobicContact CG1-CG2 4.34Å; L301-I306 HydrophobicContact CB-CD1 4.33Å; L301-I306 HydrophobicContact CB-CG1 3.84Å; L301-I306 HydrophobicContact CD1-CG1 4.37Å; N302-I306 PolarHBondContact O-N 3.12Å; A303-I306 PolarHBondContact O-N 3.36Å; I306-C308 VanDerWaalsContact C-N 3.26Å; I306-C308 PolarHBondContact O-N 2.95Å; I306-L309 WeakPolarHBondContact O-CB 3.38Å; I306-L309 PolarHBondContact O-N 2.8Å; I306-L309 VanDerWaalsContact O-N 3.07Å; I306-L310 HydrophobicContact CG2-CD1 3.97Å; I306-L310 HydrophobicContact CG2-CG 4.33Å; I306-L310 WeakPolarHBondContact O-CG 3.32Å; I306-L310 PolarHBondContact O-N 3.19Å; I306-M326 HydrophobicContact CB-CE 4.15Å; I306-M326 HydrophobicContact CB-SD 4.25Å; I306-M326 HydrophobicContact CD1-CE 4.16Å; I306-M326 HydrophobicContact CG2-CE 3.64Å; I306-M326 HydrophobicContact CG2-SD 4.11Å; I306-V347 HydrophobicContact CG2-CG1 4.27Å; I306-V347 HydrophobicContact CG2-CG2 3.82Å
307A92.4Very high92.8Very high21 Ų2145.8 Ų45.817%0.17426%0.256CS..Hα-helixtrans-57.8-38.6174.400000112.4A303 L310 K311 T317A303-A307 VanDerWaalsContact O-CB 3.27Å; A303-A307 WeakPolarHBondContact O-CB 3.18Å; A303-A307 PolarHBondContact O-N 3.27Å; A307-L310 PolarHBondContact O-N 3.31Å; A307-K311 VanDerWaalsContact O-CB 3.31Å; A307-K311 WeakPolarHBondContact O-CB 3.35Å; A307-K311 PolarHBondContact O-N 3.22Å; A307-T317 HydrophobicContact CB-CG2 4.37Å; A307-T317 WeakPolarHBondContact CB-OG1 3.25Å
308C92.5Very high91.9Very high72 Ų7248.4 Ų48.449%0.48627%0.271SS..Hα-helixtrans-64.7-39.3175.2-172.50000112.1S304 E305 I306 R312S304-C308 WeakPolarHBondContact O-CB 3.26Å; S304-C308 PolarHBondContact O-N 2.78Å; S304-C308 VanDerWaalsContact O-N 3.09Å; E305-C308 WeakPolarHBondContact O-CB 3.48Å; E305-C308 PolarHBondContact O-N 3.35Å; I306-C308 VanDerWaalsContact C-N 3.26Å; I306-C308 PolarHBondContact O-N 2.95Å; C308-R312 WeakPolarHBondContact O-CG 3.39Å; C308-R312 PolarHBondContact O-N 3.08Å
309L94.7Very high90.7Very high19 Ų1950.7 Ų50.710%0.09929%0.285CS..Hα-helixtrans-66.5-46.5175.8-65.5178000111.9L301 E305 I306 K311 R312 M313 V347 A350 Y351L301-L309 HydrophobicContact CD1-CD1 3.54Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 3.34Å; I306-L309 WeakPolarHBondContact O-CB 3.38Å; I306-L309 PolarHBondContact O-N 2.8Å; I306-L309 VanDerWaalsContact O-N 3.07Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.96Å; L309-R312 WeakPolarHBondContact O-CB 3.3Å; L309-R312 PolarHBondContact O-N 3.21Å; L309-R312 VanDerWaalsContact O-N 3.08Å; L309-M313 PolarHBondContact O-N 2.85Å; L309-V347 HydrophobicContact CD1-CG1 3.89Å; L309-A350 HydrophobicContact CB-CB 3.86Å; L309-A350 HydrophobicContact CD2-CB 4Å; L309-A350 HydrophobicContact CG-CB 4.48Å; L309-A350 WeakPolarHBondContact O-CB 3.37Å; L309-Y351 HydrophobicContact CD1-CD2 4.13Å
310L93.9Very high89.6Confident1 Ų152.6 Ų52.61%0.00530%0.297CS..Hα-helixtrans-59.5-42.3175.9-73.4171.3000111.9I306 A307 R312 M313 G314 L315 T317 I328 V343 V347I306-L310 HydrophobicContact CG2-CD1 3.97Å; I306-L310 HydrophobicContact CG2-CG 4.33Å; I306-L310 WeakPolarHBondContact O-CG 3.32Å; I306-L310 PolarHBondContact O-N 3.19Å; A307-L310 PolarHBondContact O-N 3.31Å; L310-R312 PolarHBondContact O-N 3.11Å; L310-M313 CarbonylContact O-C 3.55Å; L310-M313 WeakPolarHBondContact O-CA 3.39Å; L310-M313 WeakPolarHBondContact O-CB 3.4Å; L310-M313 PolarHBondContact O-N 2.97Å; L310-G314 PolarHBondContact O-N 3.43Å; L310-L315 CarbonylContact C-O 3.15Å; L310-L315 VanDerWaalsContact C-O 3.25Å; L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 4.38Å; L310-L315 HydrophobicContact CD2-CD1 3.79Å; L310-L315 PolarHBondContact O-N 3.14Å; L310-T317 HydrophobicContact CB-CG2 4.04Å; L310-T317 HydrophobicContact CD1-CG2 3.5Å; L310-T317 HydrophobicContact CG-CG2 4.42Å; L310-I328 HydrophobicContact CD1-CG1 3.93Å; L310-V343 HydrophobicContact CD1-CG1 4.33Å; L310-V343 HydrophobicContact CD2-CG1 3.51Å; L310-V347 HydrophobicContact CD1-CG2 4.36Å; L310-V347 HydrophobicContact CD2-CG2 3.52Å; L310-V347 HydrophobicContact CG-CG2 3.75Å
311K92.9Very high88.7Confident116 Ų11646.2 Ų46.250%0.50427%0.269SS..Hα-helixtrans-59.9-34.2175.8-171.7175.5-177.7177.50112.6T65 A307 L309 M313 G314 L315T65-K311 WeakPolarHBondContact CG2-O 3.46Å; A307-K311 VanDerWaalsContact O-CB 3.31Å; A307-K311 WeakPolarHBondContact O-CB 3.35Å; A307-K311 PolarHBondContact O-N 3.22Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.96Å; K311-M313 VanDerWaalsContact C-N 3.28Å; K311-M313 PolarHBondContact O-N 3.5Å; K311-G314 PolarHBondContact O-N 3.07Å; K311-G314 VanDerWaalsContact O-N 3.11Å; K311-L315 WeakPolarHBondContact CA-O 3.47Å; K311-L315 PolarHBondContact N-O 3.15Å
312R93.2Very high87.5Confident40 Ų4051.7 Ų51.715%0.15130%0.304CS..Hα-helixtrans-68.4-26.8173.9-71.3174.664.5-140.5-14.5112.3T65 F66 C308 L309 L310 G314 A350T65-R312 CarbonylContact C-O 3.46Å; F66-R312 WeakPolarHBondContact CA-O 3.29Å; F66-R312 WeakPolarHBondContact CB-O 3.05Å; F66-R312 HydrophobicContact CD2-CB 4.11Å; F66-R312 PolarHBondContact N-O 2.86Å; F66-R312 PolarHBondContact O-NE 3.21Å; F66-R312 PolarHBondContact O-NH2 3.42Å; C308-R312 WeakPolarHBondContact O-CG 3.39Å; C308-R312 PolarHBondContact O-N 3.08Å; L309-R312 WeakPolarHBondContact O-CB 3.3Å; L309-R312 PolarHBondContact O-N 3.21Å; L309-R312 VanDerWaalsContact O-N 3.08Å; L310-R312 PolarHBondContact O-N 3.11Å; R312-G314 VanDerWaalsContact C-N 3.26Å; R312-A350 PolarHBondContact NH1-O 2.94Å
313M94Very high86.7Confident12 Ų1253.7 Ų53.76%0.05932%0.315CS..THydrogen-bonded Turntrans-85.34.5171.4-63.5-55.6-70.800113.7F17 F66 L309 L310 K311 L315 R334 D346 I349 A350F17-M313 HydrophobicContact CD2-SD 4.35Å; F17-M313 HydrophobicContact CE2-CE 3.88Å; F17-M313 HydrophobicContact CE2-SD 3.79Å; F17-M313 HydrophobicContact CZ-CE 4.36Å; F66-M313 HydrophobicContact CD2-SD 3.52Å; F66-M313 VanDerWaalsContact CD2-SD 3.52Å; F66-M313 HydrophobicContact CE2-SD 3.51Å; F66-M313 VanDerWaalsContact CE2-SD 3.51Å; L309-M313 PolarHBondContact O-N 2.85Å; L310-M313 CarbonylContact O-C 3.55Å; L310-M313 WeakPolarHBondContact O-CA 3.39Å; L310-M313 WeakPolarHBondContact O-CB 3.4Å; L310-M313 PolarHBondContact O-N 2.97Å; K311-M313 VanDerWaalsContact C-N 3.28Å; K311-M313 PolarHBondContact O-N 3.5Å; M313-L315 VanDerWaalsContact C-N 3.32Å; M313-L315 HydrophobicContact CB-CG 4.5Å; M313-R334 PolarHBondContact O-NH1 3.46Å; M313-D346 HydrophobicContact CB-CB 4.04Å; M313-D346 WeakPolarHBondContact CB-OD2 3.33Å; M313-D346 HydrophobicContact CE-CB 4.39Å; M313-D346 VanDerWaalsContact CE-OD1 3.23Å; M313-D346 WeakPolarHBondContact CE-OD1 3.27Å; M313-D346 HydrophobicContact CG-CB 3.8Å; M313-D346 WeakPolarHBondContact CG-O 3.48Å; M313-I349 HydrophobicContact CE-CB 4.46Å; M313-I349 HydrophobicContact CE-CD1 4.46Å; M313-I349 HydrophobicContact CE-CG2 4.16Å; M313-I349 HydrophobicContact SD-CG2 4.16Å; M313-A350 HydrophobicContact CG-CB 3.94Å; M313-A350 HydrophobicContact SD-CB 4.33Å
314G91.4Very high86.1Confident11 Ų1156.9 Ų56.911%0.11333%0.329CS..THydrogen-bonded Turntrans78.215.2-178.800000114.2L310 K311 R312L310-G314 PolarHBondContact O-N 3.43Å; K311-G314 PolarHBondContact O-N 3.07Å; K311-G314 VanDerWaalsContact O-N 3.11Å; R312-G314 VanDerWaalsContact C-N 3.26Å
315L91.5Very high85.8Confident0 Ų055.1 Ų55.10%031%0.312CS..  trans-96.8120.9175.4-56.7-178.1000109.5L310 K311 M313 I328 P331 I337 D346L310-L315 CarbonylContact C-O 3.15Å; L310-L315 VanDerWaalsContact C-O 3.25Å; L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 4.38Å; L310-L315 HydrophobicContact CD2-CD1 3.79Å; L310-L315 PolarHBondContact O-N 3.14Å; K311-L315 WeakPolarHBondContact CA-O 3.47Å; K311-L315 PolarHBondContact N-O 3.15Å; M313-L315 VanDerWaalsContact C-N 3.32Å; M313-L315 HydrophobicContact CB-CG 4.5Å; L315-I328 HydrophobicContact CB-CG2 3.89Å; L315-I328 HydrophobicContact CD1-CG2 4.25Å; L315-P331 HydrophobicContact CD2-CG 4.39Å; L315-I337 HydrophobicContact CD1-CD1 3.75Å; L315-I337 HydrophobicContact CD2-CD1 3.52Å; L315-I337 HydrophobicContact CG-CD1 4.25Å; L315-D346 HydrophobicContact CD1-CB 4.22Å; L315-D346 VanDerWaalsContact CD1-OD2 3.24Å; L315-D346 WeakPolarHBondContact CD1-OD2 3.43Å
316E87.4Confident85.5Confident58 Ų5851.1 Ų51.127%0.27129%0.293SS..EExtended strand (participates in β ladder)trans-85143.1175.5-65.6-161.416500109.9R71 L329R71-E316 IonicContact CZ-OE1 3.43Å; R71-E316 VanDerWaalsContact CZ-OE1 3.25Å; R71-E316 IonicContact NE-OE1 3.95Å; R71-E316 PolarHBondContact NE-OE1 2.87Å; R71-E316 IonicContact NH2-OE1 3.37Å; R71-E316 PolarHBondContact NH2-OE1 3.43Å; R71-E316 IonicContact NH2-OE2 3.18Å; R71-E316 PolarHBondContact NH2-OE2 3.13Å; E316-L329 HydrophobicContact CB-CB 4.29Å; E316-L329 HydrophobicContact CB-CD1 4.38Å; E316-L329 PolarHBondContact O-N 2.99Å
317T85.8Confident85.3Confident38 Ų3852.9 Ų52.923%0.23330%0.301CS..EExtended strand (participates in β ladder)trans-120.3132.5177.759.20000109.5A307 L310 H327 I328A307-T317 HydrophobicContact CB-CG2 4.37Å; A307-T317 WeakPolarHBondContact CB-OG1 3.25Å; L310-T317 HydrophobicContact CB-CG2 4.04Å; L310-T317 HydrophobicContact CD1-CG2 3.5Å; L310-T317 HydrophobicContact CG-CG2 4.42Å; T317-H327 WeakPolarHBondContact CA-O 3.32Å; T317-I328 HydrophobicContact CG2-CG1 4.11Å
318N77.7Confident85.2Confident76 Ų7651.9 Ų51.941%0.40629%0.293SS..PPolyproline II helixtrans-72.2166.7165.9-68.4-31.5000110.3H327N318-H327 HydrophobicContact CB-CB 4.25Å; N318-H327 PolarHBondContact N-O 3.4Å
319A70.4Confident85Confident91 Ų9149.9 Ų49.975%0.75228%0.277SS*.PPolyproline II helixtrans-55.4142.3174.400000110.7D321A319-D321 PolarHBondContact O-N 3.12Å
320V72.3Confident84.8Confident57 Ų5749.3 Ų49.335%0.34528%0.275SS..PPolyproline II helixtrans-59.4132.4176.2-165.60000108.8A303 M325 M326A303-V320 HydrophobicContact CB-CG2 3.36Å; V320-M325 WeakPolarHBondContact CA-O 3.23Å; V320-M325 WeakPolarHBondContact CG1-O 3.21Å; V320-M326 HydrophobicContact CG2-CG 4.18Å
321D75.7Confident84.5Confident53 Ų5350.3 Ų50.328%0.28328%0.281SS..  trans-75.6175.2175.770.321.1000112.4A319 N323 N324 M325 H327A319-D321 PolarHBondContact O-N 3.12Å; D321-N323 PolarHBondContact O-N 3.18Å; D321-N323 WeakPolarHBondContact OD1-CA 3.42Å; D321-N323 WeakPolarHBondContact OD1-CB 3.36Å; D321-N323 PolarHBondContact OD1-N 3.37Å; D321-N324 PolarHBondContact O-N 3.45Å; D321-N324 VanDerWaalsContact O-N 3.13Å; D321-N324 PolarHBondContact OD1-N 2.81Å; D321-M325 PolarHBondContact N-O 2.95Å; D321-M325 WeakPolarHBondContact OD1-CB 3.42Å; D321-M325 PolarHBondContact OD1-N 3.04Å; D321-M325 WeakPolarHBondContact OD2-CB 3.39Å; D321-H327 IonicContact OD2-CE1 3.84Å; D321-H327 IonicContact OD2-NE2 3.08Å; D321-H327 PolarHBondContact OD2-NE2 3.4Å; D321-H327 VanDerWaalsContact OD2-NE2 3.08Å
322T69.2Low84.2Confident143 Ų14345.3 Ų45.388%0.87726%0.261SS*.THydrogen-bonded Turntrans-61.6-15.2-179.950.20000113.9
323N74.7Confident83.9Confident124 Ų12445.1 Ų45.166%0.66326%0.263SS*.THydrogen-bonded Turntrans-100.213.7-178.8-63.6-21.1000112.5D321 M325D321-N323 PolarHBondContact O-N 3.18Å; D321-N323 WeakPolarHBondContact OD1-CA 3.42Å; D321-N323 WeakPolarHBondContact OD1-CB 3.36Å; D321-N323 PolarHBondContact OD1-N 3.37Å; N323-M325 HydrophobicContact CB-CG 4.08Å; N323-M325 PolarHBondContact O-N 3.14Å
324N79.1Confident83.8Confident84 Ų8444.9 Ų44.945%0.44926%0.261SS..SBendtrans63.127.4-177.9-150.929.5000113.3V290 D321V290-N324 PolarHBondContact N-O 3.14Å; D321-N324 PolarHBondContact O-N 3.45Å; D321-N324 VanDerWaalsContact O-N 3.13Å; D321-N324 PolarHBondContact OD1-N 2.81Å
325M85.3Confident83.7Confident55 Ų5546.7 Ų46.727%0.27127%0.266SS..EExtended strand (participates in β ladder)trans-96.7134.6174.5-49.2-65.9-69.400110.1T287 V320 D321 N323T287-M325 HydrophobicContact CG2-CB 3.66Å; T287-M325 HydrophobicContact CG2-CE 3.66Å; T287-M325 HydrophobicContact CG2-CG 4.23Å; V320-M325 WeakPolarHBondContact CA-O 3.23Å; V320-M325 WeakPolarHBondContact CG1-O 3.21Å; D321-M325 PolarHBondContact N-O 2.95Å; D321-M325 WeakPolarHBondContact OD1-CB 3.42Å; D321-M325 PolarHBondContact OD1-N 3.04Å; D321-M325 WeakPolarHBondContact OD2-CB 3.39Å; N323-M325 HydrophobicContact CB-CG 4.08Å; N323-M325 PolarHBondContact O-N 3.14Å
326M87.8Confident83.8Confident3 Ų347.7 Ų47.72%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-95.3134170.7-68.4-177.9-66.300108.9T287 L288 V290 V293 A303 I306 V320 I328T287-M326 WeakPolarHBondContact CA-O 3.14Å; L288-M326 PolarHBondContact N-O 3.31Å; L288-M326 PolarHBondContact O-N 3.48Å; V290-M326 HydrophobicContact CG2-CE 3.75Å; V290-M326 HydrophobicContact CG2-CG 4.24Å; V290-M326 HydrophobicContact CG2-SD 4.05Å; V293-M326 HydrophobicContact CG2-CE 4.29Å; A303-M326 HydrophobicContact CB-SD 4.24Å; I306-M326 HydrophobicContact CB-CE 4.15Å; I306-M326 HydrophobicContact CB-SD 4.25Å; I306-M326 HydrophobicContact CD1-CE 4.16Å; I306-M326 HydrophobicContact CG2-CE 3.64Å; I306-M326 HydrophobicContact CG2-SD 4.11Å; V320-M326 HydrophobicContact CG2-CG 4.18Å; M326-I328 HydrophobicContact CB-CD1 4.24Å
327H89.1Confident84Confident36 Ų3645.5 Ų45.517%0.16726%0.262CS..EExtended strand (participates in β ladder)trans-102.7112.4172.5-61.1-75.9000108.4E285 T287 T317 N318 D321E285-H327 HydrophobicContact CG-CB 4.04Å; E285-H327 WeakPolarHBondContact OE1-CB 3.39Å; E285-H327 IonicContact OE1-CG 2.94Å; E285-H327 IonicContact OE1-ND1 3.25Å; E285-H327 PolarHBondContact OE1-ND1 2.91Å; T287-H327 VanDerWaalsContact CG2-CE1 3.47Å; T287-H327 WeakPolarHBondContact CG2-CE1 3.47Å; T287-H327 PolarHBondContact OG1-ND1 2.9Å; T287-H327 VanDerWaalsContact OG1-ND1 3.15Å; T317-H327 WeakPolarHBondContact CA-O 3.32Å; N318-H327 HydrophobicContact CB-CB 4.25Å; N318-H327 PolarHBondContact N-O 3.4Å; D321-H327 IonicContact OD2-CE1 3.84Å; D321-H327 IonicContact OD2-NE2 3.08Å; D321-H327 PolarHBondContact OD2-NE2 3.4Å; D321-H327 VanDerWaalsContact OD2-NE2 3.08Å
328I90.5Very high84.3Confident0 Ų050.4 Ų50.40%029%0.286CS..EExtended strand (participates in β ladder)trans-100.1129-176.1-57.497.2000109.1V284 E285 I286 L288 L310 L315 T317 M326 V343V284-I328 VanDerWaalsContact O-O 3.11Å; E285-I328 WeakPolarHBondContact CA-O 3.38Å; I286-I328 PolarHBondContact N-O 3.04Å; I286-I328 VanDerWaalsContact O-CD1 3.26Å; I286-I328 WeakPolarHBondContact O-CD1 3.43Å; I286-I328 PolarHBondContact O-N 3.27Å; L288-I328 HydrophobicContact CB-CD1 3.94Å; L310-I328 HydrophobicContact CD1-CG1 3.93Å; L315-I328 HydrophobicContact CB-CG2 3.89Å; L315-I328 HydrophobicContact CD1-CG2 4.25Å; T317-I328 HydrophobicContact CG2-CG1 4.11Å; M326-I328 HydrophobicContact CB-CD1 4.24Å; I328-V343 HydrophobicContact CD1-CG1 4.04Å; I328-V343 HydrophobicContact CG1-CG1 4.04Å
329L89.1Confident85Confident30 Ų3051.9 Ų51.916%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-94.8110.5176.6-57.5-177.7000109.3T283 E316T283-L329 HydrophobicContact CG2-CB 3.64Å; T283-L329 WeakPolarHBondContact OG1-CD2 3.38Å; E316-L329 HydrophobicContact CB-CB 4.29Å; E316-L329 HydrophobicContact CB-CD1 4.38Å; E316-L329 PolarHBondContact O-N 2.99Å
330V89.4Confident86Confident7 Ų749.4 Ų49.44%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-86.7123.1180177.80000110.2T283 V284 I286 R334 I337T283-V330 VanDerWaalsContact CA-O 3.27Å; T283-V330 WeakPolarHBondContact CA-O 3.32Å; T283-V330 WeakPolarHBondContact CB-O 3.43Å; V284-V330 HydrophobicContact CB-CB 4.16Å; V284-V330 PolarHBondContact N-O 3.36Å; V284-V330 PolarHBondContact O-N 3.44Å; I286-V330 HydrophobicContact CD1-CG2 3.96Å; I286-V330 HydrophobicContact CG1-CG2 4.31Å; V330-R334 HydrophobicContact CG1-CB 3.88Å; V330-I337 HydrophobicContact CG1-CB 4.05Å; V330-I337 HydrophobicContact CG1-CD1 4.05Å; V330-I337 HydrophobicContact CG1-CG1 4.46Å; V330-I337 HydrophobicContact CG2-CB 4.29Å; V330-I337 HydrophobicContact CG2-CD1 4.2Å; V330-I337 HydrophobicContact CG2-CG2 3.84Å
331P87.9Confident87.1Confident23 Ų2349.5 Ų49.515%0.14927%0.269CS..  trans-70.9154.2178.231.6-35.8000111.3L315 N333 R334L315-P331 HydrophobicContact CD2-CG 4.39Å; P331-N333 WeakPolarHBondContact CB-OD1 3.26Å; P331-N333 WeakPolarHBondContact CG-OD1 3.13Å; P331-N333 PolarHBondContact O-N 3.44Å; P331-N333 VanDerWaalsContact O-N 3.1Å; P331-R334 HydrophobicContact CG-CB 4.01Å; P331-R334 HydrophobicContact CG-CG 3.56Å; P331-R334 PolarHBondContact O-N 3.08Å
332P87.5Confident88.1Confident11 Ų1148.7 Ų48.77%0.07126%0.264CS..THydrogen-bonded Turntrans-57.2-28.1-175.530.2-45.3000114.2F75 C249 L281 R334 H335F75-P332 HydrophobicContact CB-CG 4.25Å; F75-P332 HydrophobicContact CD2-CG 3.47Å; F75-P332 VanDerWaalsContact CD2-CG 3.47Å; F75-P332 HydrophobicContact CE2-CG 4.09Å; F75-P332 HydrophobicContact CG-CG 4.11Å; C249-P332 VanDerWaalsContact SG-CG 3.5Å; L281-P332 HydrophobicContact CD2-CB 3.53Å; L281-P332 HydrophobicContact CD2-CG 3.38Å; L281-P332 HydrophobicContact CG-CB 4.03Å; L281-P332 HydrophobicContact CG-CG 4.37Å; P332-R334 VanDerWaalsContact C-N 3.29Å; P332-R334 PolarHBondContact O-N 3.23Å; P332-H335 PolarHBondContact O-CD2 3.33Å; P332-H335 PolarHBondContact O-CE1 3.46Å; P332-H335 PolarHBondContact O-NE2 2.94Å
333N86.5Confident89.3Confident35 Ų3541.9 Ų41.919%0.18722%0.223CC..THydrogen-bonded Turntrans-82.2-7.4-17864.4-28.5000113D52 C249 P331 H335D52-N333 HydrophobicContact CB-CB 4.02Å; C249-N333 HydrophobicContact CB-CB 4.09Å; P331-N333 WeakPolarHBondContact CB-OD1 3.26Å; P331-N333 WeakPolarHBondContact CG-OD1 3.13Å; P331-N333 PolarHBondContact O-N 3.44Å; P331-N333 VanDerWaalsContact O-N 3.1Å; N333-H335 PolarHBondContact O-N 3.01Å
334R91.4Very high90.3Very high7 Ų736.7 Ų36.73%0.02620%0.195CC..  trans-99.464.8-179.9-71-66.7-55.4-86.65.7111.6R50 M313 V330 P331 P332 D336 I337 D346R50-R334 VanDerWaalsContact CZ-CZ 3.41Å; R50-R334 VanDerWaalsContact NH1-NH2 3.17Å; R50-R334 VanDerWaalsContact NH2-CD 3.33Å; M313-R334 PolarHBondContact O-NH1 3.46Å; V330-R334 HydrophobicContact CG1-CB 3.88Å; P331-R334 HydrophobicContact CG-CB 4.01Å; P331-R334 HydrophobicContact CG-CG 3.56Å; P331-R334 PolarHBondContact O-N 3.08Å; P332-R334 VanDerWaalsContact C-N 3.29Å; P332-R334 PolarHBondContact O-N 3.23Å; R334-D336 VanDerWaalsContact C-OD1 3.32Å; R334-D336 WeakPolarHBondContact CA-OD1 3.45Å; R334-D336 IonicContact CZ-OD1 2.73Å; R334-D336 IonicContact CZ-OD2 3.89Å; R334-D336 IonicContact NE-OD1 3.23Å; R334-D336 PolarHBondContact NE-OD1 3.18Å; R334-D336 IonicContact NE-OD2 2.79Å; R334-D336 PolarHBondContact NE-OD2 3.02Å; R334-D336 IonicContact NH2-OD1 2.85Å; R334-D336 IonicContact NH2-OD2 3.85Å; R334-D336 PolarHBondContact NH2-OD2 2.94Å; R334-D336 PolarHBondContact O-N 3.33Å; R334-I337 HydrophobicContact CB-CD1 4.13Å; R334-I337 HydrophobicContact CB-CG1 4.33Å; R334-I337 PolarHBondContact O-N 2.98Å; R334-D346 IonicContact CZ-OD1 3.64Å; R334-D346 IonicContact CZ-OD2 2.84Å; R334-D346 IonicContact NH1-OD1 2.95Å; R334-D346 IonicContact NH1-OD2 3.67Å; R334-D346 PolarHBondContact NH1-OD2 3.02Å; R334-D346 VanDerWaalsContact NH2-CG 3.28Å; R334-D346 IonicContact NH2-OD1 2.82Å; R334-D346 PolarHBondContact NH2-OD1 2.57Å; R334-D346 IonicContact NH2-OD2 3.2Å; R334-D346 PolarHBondContact NH2-OD2 2.86Å
335H89.3Confident91.2Very high49 Ų4936.4 Ų36.423%0.22719%0.191CC..THydrogen-bonded Turntrans-73.2-8.5177.6-63.4-77000113.9I242 D245 P332 N333 I337I242-H335 HydrophobicContact CD1-CB 4.19Å; I242-H335 HydrophobicContact CG1-CB 4.04Å; I242-H335 HydrophobicContact CG2-CB 4.15Å; D245-H335 WeakPolarHBondContact CB-NE2 3.49Å; D245-H335 IonicContact OD2-CE1 2.61Å; D245-H335 PolarHBondContact OD2-CE1 2.78Å; D245-H335 IonicContact OD2-NE2 2.59Å; P332-H335 PolarHBondContact O-CD2 3.33Å; P332-H335 PolarHBondContact O-CE1 3.46Å; P332-H335 PolarHBondContact O-NE2 2.94Å; N333-H335 PolarHBondContact O-N 3.01Å; H335-I337 VanDerWaalsContact C-N 3.29Å
336D92.9Very high91.7Very high21 Ų2134 Ų3411%0.11218%0.179CC..THydrogen-bonded Turntrans-70.4-24.3173.357.4-55.7000113.1N49 R50 R334 L338N49-D336 HydrophobicContact CB-CB 4.16Å; R50-D336 VanDerWaalsContact CD-OD2 3.23Å; R50-D336 WeakPolarHBondContact CD-OD2 3.35Å; R334-D336 VanDerWaalsContact C-OD1 3.32Å; R334-D336 WeakPolarHBondContact CA-OD1 3.45Å; R334-D336 IonicContact CZ-OD1 2.73Å; R334-D336 IonicContact CZ-OD2 3.89Å; R334-D336 IonicContact NE-OD1 3.23Å; R334-D336 PolarHBondContact NE-OD1 3.18Å; R334-D336 IonicContact NE-OD2 2.79Å; R334-D336 PolarHBondContact NE-OD2 3.02Å; R334-D336 IonicContact NH2-OD1 2.85Å; R334-D336 IonicContact NH2-OD2 3.85Å; R334-D336 PolarHBondContact NH2-OD2 2.94Å; R334-D336 PolarHBondContact O-N 3.33Å; D336-L338 PolarHBondContact O-N 2.97Å
337I93.2Very high92.1Very high13 Ų1333.8 Ų33.87%0.06718%0.178CC..  trans-84.5100.7-177.8-54.8-177.6000109.6I286 L315 V330 R334 H335 D342 V343I286-I337 HydrophobicContact CD1-CG2 3.32Å; L315-I337 HydrophobicContact CD1-CD1 3.75Å; L315-I337 HydrophobicContact CD2-CD1 3.52Å; L315-I337 HydrophobicContact CG-CD1 4.25Å; V330-I337 HydrophobicContact CG1-CB 4.05Å; V330-I337 HydrophobicContact CG1-CD1 4.05Å; V330-I337 HydrophobicContact CG1-CG1 4.46Å; V330-I337 HydrophobicContact CG2-CB 4.29Å; V330-I337 HydrophobicContact CG2-CD1 4.2Å; V330-I337 HydrophobicContact CG2-CG2 3.84Å; R334-I337 HydrophobicContact CB-CD1 4.13Å; R334-I337 HydrophobicContact CB-CG1 4.33Å; R334-I337 PolarHBondContact O-N 2.98Å; H335-I337 VanDerWaalsContact C-N 3.29Å; I337-D342 HydrophobicContact CB-CB 4.36Å; I337-D342 HydrophobicContact CG1-CB 4.35Å; I337-D342 HydrophobicContact CG2-CB 4.15Å; I337-V343 HydrophobicContact CG2-CG2 3.84Å
338L91Very high92.4Very high140 Ų14032.5 Ų32.573%0.73317%0.174SC*.  trans-117.3-18.6-178-58.5177.7000112.4D336 D342D336-L338 PolarHBondContact O-N 2.97Å; L338-D342 PolarHBondContact N-OD2 2.98Å
339H92.3Very high92.7Very high107 Ų10733.8 Ų33.850%0.49518%0.18SC..SBendtrans-142.6153.5-174.6-169.2-95.8000110.4C341 D342H339-C341 VanDerWaalsContact CE1-SG 3.5Å; H339-C341 WeakPolarHBondContact ND1-CB 3.4Å; H339-C341 PolarHBondContact ND1-N 3.03Å; H339-C341 VanDerWaalsContact ND1-N 3.14Å; H339-C341 PolarHBondContact ND1-SG 3.34Å; H339-C341 PolarHBondContact O-N 2.75Å; H339-D342 PolarHBondContact N-OD2 3.22Å; H339-D342 WeakPolarHBondContact O-CB 3.35Å; H339-D342 PolarHBondContact O-N 3.28Å; H339-D342 VanDerWaalsContact O-OD2 3.13Å
340P92.9Very high93Very high39 Ų3932.4 Ų32.425%0.25317%0.173SC..Hα-helixtrans-54.6-22.2173.5-26.331.7000115.1I286 L288 D342 V343 I344I286-P340 HydrophobicContact CG2-CB 4.18Å; I286-P340 HydrophobicContact CG2-CG 3.97Å; L288-P340 HydrophobicContact CD1-CB 3.9Å; P340-D342 VanDerWaalsContact C-N 3.28Å; P340-D342 PolarHBondContact O-N 3.07Å; P340-V343 WeakPolarHBondContact O-CB 3.48Å; P340-V343 PolarHBondContact O-N 3.44Å; P340-I344 WeakPolarHBondContact O-CG1 3.36Å; P340-I344 PolarHBondContact O-N 3.07Å; P340-I344 VanDerWaalsContact O-N 3.1Å
341C95.1Very high93.3Very high59 Ų5934.8 Ų34.840%0.39918%0.182SC..Hα-helixtrans-64.1-32.4174.9-69.80000112.8H339 V343 I344 E345H339-C341 VanDerWaalsContact CE1-SG 3.5Å; H339-C341 WeakPolarHBondContact ND1-CB 3.4Å; H339-C341 PolarHBondContact ND1-N 3.03Å; H339-C341 VanDerWaalsContact ND1-N 3.14Å; H339-C341 PolarHBondContact ND1-SG 3.34Å; H339-C341 PolarHBondContact O-N 2.75Å; C341-V343 VanDerWaalsContact C-N 3.3Å; C341-I344 WeakPolarHBondContact O-CB 3.39Å; C341-I344 PolarHBondContact O-N 2.98Å; C341-E345 PolarHBondContact O-N 2.94Å
342D95.6Very high93.6Very high36 Ų3634.7 Ų34.719%0.19319%0.186CC..Hα-helixtrans-71.1-33.4179.7-48.3-44.3000110.1I337 L338 H339 P340 E345 D346I337-D342 HydrophobicContact CB-CB 4.36Å; I337-D342 HydrophobicContact CG1-CB 4.35Å; I337-D342 HydrophobicContact CG2-CB 4.15Å; L338-D342 PolarHBondContact N-OD2 2.98Å; H339-D342 PolarHBondContact N-OD2 3.22Å; H339-D342 WeakPolarHBondContact O-CB 3.35Å; H339-D342 PolarHBondContact O-N 3.28Å; H339-D342 VanDerWaalsContact O-OD2 3.13Å; P340-D342 VanDerWaalsContact C-N 3.28Å; P340-D342 PolarHBondContact O-N 3.07Å; D342-E345 WeakPolarHBondContact O-CB 3.49Å; D342-E345 PolarHBondContact O-N 3.14Å; D342-D346 PolarHBondContact O-N 3.47Å; D342-D346 VanDerWaalsContact O-N 3.1Å
343V95.3Very high94Very high1 Ų140.4 Ų40.41%0.00621%0.207CC..Hα-helixtrans-66.2-40.4170.6-178.40000110.8I286 L288 L310 I328 I337 P340 C341 E345 D346 V347I286-V343 HydrophobicContact CD1-CG2 3.97Å; I286-V343 HydrophobicContact CG2-CG2 4.17Å; L288-V343 HydrophobicContact CD2-CB 4.41Å; L288-V343 HydrophobicContact CD2-CG1 4.23Å; L310-V343 HydrophobicContact CD1-CG1 4.33Å; L310-V343 HydrophobicContact CD2-CG1 3.51Å; I328-V343 HydrophobicContact CD1-CG1 4.04Å; I328-V343 HydrophobicContact CG1-CG1 4.04Å; I337-V343 HydrophobicContact CG2-CG2 3.84Å; P340-V343 WeakPolarHBondContact O-CB 3.48Å; P340-V343 PolarHBondContact O-N 3.44Å; C341-V343 VanDerWaalsContact C-N 3.3Å; V343-E345 VanDerWaalsContact C-N 3.34Å; V343-D346 PolarHBondContact O-N 3.31Å; V343-V347 WeakPolarHBondContact O-CG2 3.24Å; V343-V347 PolarHBondContact O-N 2.98Å
344I96.2Very high94.4Very high15 Ų1545.2 Ų45.28%0.07723%0.232CC..Hα-helixtrans-64.3-39.4176.3-65.5171.3000111.1L288 E292 V293 R296 I297 P340 C341 V347 A348L288-I344 HydrophobicContact CD1-CD1 4.36Å; L288-I344 HydrophobicContact CD2-CD1 4.22Å; L288-I344 HydrophobicContact CD2-CG1 3.67Å; E292-I344 HydrophobicContact CG-CD1 4.4Å; V293-I344 HydrophobicContact CG2-CG1 4.27Å; R296-I344 HydrophobicContact CB-CD1 4.14Å; R296-I344 HydrophobicContact CB-CG2 3.98Å; R296-I344 HydrophobicContact CG-CD1 3.99Å; I297-I344 HydrophobicContact CD1-CG2 3.9Å; I297-I344 HydrophobicContact CG1-CG2 3.54Å; P340-I344 WeakPolarHBondContact O-CG1 3.36Å; P340-I344 PolarHBondContact O-N 3.07Å; P340-I344 VanDerWaalsContact O-N 3.1Å; C341-I344 WeakPolarHBondContact O-CB 3.39Å; C341-I344 PolarHBondContact O-N 2.98Å; I344-V347 PolarHBondContact O-N 3.18Å; I344-A348 PolarHBondContact O-N 3.28Å
345E96.8Very high94.5Very high78 Ų7850.7 Ų50.736%0.36426%0.256SS..Hα-helixtrans-57.5-51.2173-179.6-176.4-166.400110.9C341 D342 V343 V347 A348 I349C341-E345 PolarHBondContact O-N 2.94Å; D342-E345 WeakPolarHBondContact O-CB 3.49Å; D342-E345 PolarHBondContact O-N 3.14Å; V343-E345 VanDerWaalsContact C-N 3.34Å; E345-V347 VanDerWaalsContact C-N 3.3Å; E345-V347 PolarHBondContact O-N 3.32Å; E345-A348 WeakPolarHBondContact O-CA 3.46Å; E345-A348 WeakPolarHBondContact O-CB 3.48Å; E345-A348 PolarHBondContact O-N 3.47Å; E345-I349 HydrophobicContact CG-CD1 3.92Å; E345-I349 HydrophobicContact CG-CG1 4.43Å; E345-I349 WeakPolarHBondContact O-CG1 3.33Å; E345-I349 PolarHBondContact O-N 3.49Å
346D95.6Very high94.9Very high3 Ų350.3 Ų50.32%0.01626%0.256CS..Hα-helixtrans-57.1-41177.6-94.49.8000112.5M313 L315 R334 D342 V343 A348 I349 A350M313-D346 HydrophobicContact CB-CB 4.04Å; M313-D346 WeakPolarHBondContact CB-OD2 3.33Å; M313-D346 HydrophobicContact CE-CB 4.39Å; M313-D346 VanDerWaalsContact CE-OD1 3.23Å; M313-D346 WeakPolarHBondContact CE-OD1 3.27Å; M313-D346 HydrophobicContact CG-CB 3.8Å; M313-D346 WeakPolarHBondContact CG-O 3.48Å; L315-D346 HydrophobicContact CD1-CB 4.22Å; L315-D346 VanDerWaalsContact CD1-OD2 3.24Å; L315-D346 WeakPolarHBondContact CD1-OD2 3.43Å; R334-D346 IonicContact CZ-OD1 3.64Å; R334-D346 IonicContact CZ-OD2 2.84Å; R334-D346 IonicContact NH1-OD1 2.95Å; R334-D346 IonicContact NH1-OD2 3.67Å; R334-D346 PolarHBondContact NH1-OD2 3.02Å; R334-D346 VanDerWaalsContact NH2-CG 3.28Å; R334-D346 IonicContact NH2-OD1 2.82Å; R334-D346 PolarHBondContact NH2-OD1 2.57Å; R334-D346 IonicContact NH2-OD2 3.2Å; R334-D346 PolarHBondContact NH2-OD2 2.86Å; D342-D346 PolarHBondContact O-N 3.47Å; D342-D346 VanDerWaalsContact O-N 3.1Å; V343-D346 PolarHBondContact O-N 3.31Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.87Å; D346-I349 PolarHBondContact O-N 3.45Å; D346-A350 WeakPolarHBondContact O-CB 3.2Å; D346-A350 PolarHBondContact O-N 3.04Å
347V96.1Very high94.9Very high0 Ų053.2 Ų53.20%028%0.276CS..Hα-helixtrans-60.6-45.5173.8175.60000110.7V293 I297 I306 L309 L310 V343 I344 E345 A350 Y351V293-V347 HydrophobicContact CG1-CB 4.34Å; V293-V347 HydrophobicContact CG1-CG1 3.87Å; V293-V347 HydrophobicContact CG1-CG2 4.34Å; I297-V347 HydrophobicContact CD1-CB 3.86Å; I297-V347 HydrophobicContact CD1-CG1 3.58Å; I306-V347 HydrophobicContact CG2-CG1 4.27Å; I306-V347 HydrophobicContact CG2-CG2 3.82Å; L309-V347 HydrophobicContact CD1-CG1 3.89Å; L310-V347 HydrophobicContact CD1-CG2 4.36Å; L310-V347 HydrophobicContact CD2-CG2 3.52Å; L310-V347 HydrophobicContact CG-CG2 3.75Å; V343-V347 WeakPolarHBondContact O-CG2 3.24Å; V343-V347 PolarHBondContact O-N 2.98Å; I344-V347 PolarHBondContact O-N 3.18Å; E345-V347 VanDerWaalsContact C-N 3.3Å; E345-V347 PolarHBondContact O-N 3.32Å; V347-A350 PolarHBondContact O-N 3.07Å; V347-Y351 VanDerWaalsContact O-CB 3.29Å; V347-Y351 WeakPolarHBondContact O-CB 3.44Å; V347-Y351 PolarHBondContact O-N 3.24Å
348A96.7Very high95.1Very high9 Ų964.1 Ų64.17%0.07432%0.316CS..Hα-helixtrans-66.7-39.6-178.700000112.1I297 I344 E345 D346 Y351 G352 Y353 I356I297-A348 HydrophobicContact CD1-CB 4.03Å; I297-A348 HydrophobicContact CG1-CB 4.19Å; I297-A348 HydrophobicContact CG2-CB 4.12Å; I344-A348 PolarHBondContact O-N 3.28Å; E345-A348 WeakPolarHBondContact O-CA 3.46Å; E345-A348 WeakPolarHBondContact O-CB 3.48Å; E345-A348 PolarHBondContact O-N 3.47Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.87Å; A348-Y351 PolarHBondContact O-N 3.4Å; A348-G352 PolarHBondContact O-N 3.49Å; A348-Y353 HydrophobicContact CB-CD1 4.11Å; A348-Y353 HydrophobicContact CB-CE1 3.56Å; A348-Y353 WeakPolarHBondContact O-CD1 3.45Å; A348-I356 HydrophobicContact CB-CD1 4.48Å
349I95.8Very high95.1Very high26 Ų2663.1 Ų63.113%0.13332%0.315CS..Hα-helixtrans-61.6-50173.5-66.1169.8000110F66 M313 E345 D346 Y351 G352 Y353F66-I349 HydrophobicContact CE2-CG2 4.39Å; M313-I349 HydrophobicContact CE-CB 4.46Å; M313-I349 HydrophobicContact CE-CD1 4.46Å; M313-I349 HydrophobicContact CE-CG2 4.16Å; M313-I349 HydrophobicContact SD-CG2 4.16Å; E345-I349 HydrophobicContact CG-CD1 3.92Å; E345-I349 HydrophobicContact CG-CG1 4.43Å; E345-I349 WeakPolarHBondContact O-CG1 3.33Å; E345-I349 PolarHBondContact O-N 3.49Å; D346-I349 PolarHBondContact O-N 3.45Å; I349-Y351 VanDerWaalsContact C-N 3.33Å; I349-Y351 PolarHBondContact O-N 3.24Å; I349-G352 WeakPolarHBondContact O-CA 3.23Å; I349-G352 PolarHBondContact O-N 2.9Å; I349-G352 VanDerWaalsContact O-N 3.1Å; I349-Y353 HydrophobicContact CG1-CE1 4.06Å
350A95.6Very high95.1Very high2 Ų265.7 Ų65.72%0.01733%0.332CS..Hα-helixtrans-64.5-36.1-179.600000113.5F66 L309 R312 M313 D346 V347 G352F66-A350 HydrophobicContact CE2-CB 3.98Å; L309-A350 HydrophobicContact CB-CB 3.86Å; L309-A350 HydrophobicContact CD2-CB 4Å; L309-A350 HydrophobicContact CG-CB 4.48Å; L309-A350 WeakPolarHBondContact O-CB 3.37Å; R312-A350 PolarHBondContact NH1-O 2.94Å; M313-A350 HydrophobicContact CG-CB 3.94Å; M313-A350 HydrophobicContact SD-CB 4.33Å; D346-A350 WeakPolarHBondContact O-CB 3.2Å; D346-A350 PolarHBondContact O-N 3.04Å; V347-A350 PolarHBondContact O-N 3.07Å; A350-G352 VanDerWaalsContact C-N 3.33Å
351Y95.7Very high95.1Very high56 Ų5668.6 Ų68.622%0.2235%0.351CS..Hα-helixtrans-63.2-44.2172.4-174.3-107.5000110.7I299 L301 L309 V347 A348 I349 K355 I356I299-Y351 HydrophobicContact CD1-CD2 4.32Å; I299-Y351 HydrophobicContact CD1-CG 4.3Å; I299-Y351 HydrophobicContact CG2-CD1 4.14Å; I299-Y351 HydrophobicContact CG2-CE1 3.64Å; L301-Y351 HydrophobicContact CD1-CD2 3.95Å; L301-Y351 HydrophobicContact CD1-CE2 4.17Å; L301-Y351 HydrophobicContact CD2-CE2 4.34Å; L309-Y351 HydrophobicContact CD1-CD2 4.13Å; V347-Y351 VanDerWaalsContact O-CB 3.29Å; V347-Y351 WeakPolarHBondContact O-CB 3.44Å; V347-Y351 PolarHBondContact O-N 3.24Å; A348-Y351 PolarHBondContact O-N 3.4Å; I349-Y351 VanDerWaalsContact C-N 3.33Å; I349-Y351 PolarHBondContact O-N 3.24Å; Y351-K355 HydrophobicContact CD1-CB 4.07Å; Y351-K355 HydrophobicContact CE1-CB 3.55Å; Y351-K355 WeakPolarHBondContact O-CD 3.19Å; Y351-K355 PolarHBondContact O-NZ 3.07Å; Y351-I356 HydrophobicContact CD1-CG1 3.77Å; Y351-I356 HydrophobicContact CE1-CG1 3.92Å
352G95.1Very high94.8Very high22 Ų2272.3 Ų72.323%0.22737%0.374CS..  trans99.6114.9-17900000110.6A348 I349 A350 N354 K355A348-G352 PolarHBondContact O-N 3.49Å; I349-G352 WeakPolarHBondContact O-CA 3.23Å; I349-G352 PolarHBondContact O-N 2.9Å; I349-G352 VanDerWaalsContact O-N 3.1Å; A350-G352 VanDerWaalsContact C-N 3.33Å; G352-N354 PolarHBondContact O-N 3.41Å; G352-N354 VanDerWaalsContact O-N 3.08Å; G352-K355 WeakPolarHBondContact O-CB 3.35Å; G352-K355 PolarHBondContact O-N 3.31Å
353Y95Very high94.7Very high131 Ų13175.3 Ų75.351%0.51439%0.394SS..G310 helixtrans-52.2-37.8-174.1-69.1-7.6000113.9A348 I349 K355 I356A348-Y353 HydrophobicContact CB-CD1 4.11Å; A348-Y353 HydrophobicContact CB-CE1 3.56Å; A348-Y353 WeakPolarHBondContact O-CD1 3.45Å; I349-Y353 HydrophobicContact CG1-CE1 4.06Å; Y353-K355 PolarHBondContact O-N 3.08Å; Y353-K355 VanDerWaalsContact O-N 3.12Å; Y353-I356 HydrophobicContact CD1-CD1 4.24Å; Y353-I356 WeakPolarHBondContact O-CB 3.37Å; Y353-I356 PolarHBondContact O-N 3.39Å; Y353-I356 VanDerWaalsContact O-N 3.08Å
354N94Very high94.6Very high135 Ų13582.2 Ų82.272%0.72244%0.436SS*.G310 helixtrans-66.6-12.7179.5-70.6-37.9000114.6G352G352-N354 PolarHBondContact O-N 3.41Å; G352-N354 VanDerWaalsContact O-N 3.08Å
355K94.8Very high94.5Very high122 Ų12288.1 Ų88.153%0.5347%0.466SS..G310 helixtrans-91.8-10.7175.3-59.2-173-167.4161.50113.2Y351 G352 Y353 P357Y351-K355 HydrophobicContact CD1-CB 4.07Å; Y351-K355 HydrophobicContact CE1-CB 3.55Å; Y351-K355 WeakPolarHBondContact O-CD 3.19Å; Y351-K355 PolarHBondContact O-NZ 3.07Å; G352-K355 WeakPolarHBondContact O-CB 3.35Å; G352-K355 PolarHBondContact O-N 3.31Å; Y353-K355 PolarHBondContact O-N 3.08Å; Y353-K355 VanDerWaalsContact O-N 3.12Å; K355-P357 WeakPolarHBondContact O-CD 3.28Å
356I96.3Very high94.3Very high42 Ų4290.5 Ų90.522%0.21549%0.486CS..SBendtrans-74.4124.6-179.9-58.6172.7000108.2I297 I299 A348 Y351 Y353 R358I297-I356 HydrophobicContact CG2-CD1 3.59Å; I297-I356 HydrophobicContact CG2-CG1 4.14Å; I297-I356 WeakPolarHBondContact O-CG2 3.27Å; I299-I356 HydrophobicContact CG2-CG1 4.23Å; I299-I356 HydrophobicContact CG2-CG2 4.41Å; A348-I356 HydrophobicContact CB-CD1 4.48Å; Y351-I356 HydrophobicContact CD1-CG1 3.77Å; Y351-I356 HydrophobicContact CE1-CG1 3.92Å; Y353-I356 HydrophobicContact CD1-CD1 4.24Å; Y353-I356 WeakPolarHBondContact O-CB 3.37Å; Y353-I356 PolarHBondContact O-N 3.39Å; Y353-I356 VanDerWaalsContact O-N 3.08Å; I356-R358 PolarHBondContact O-N 3.06Å
357P94.7Very high94.2Very high82 Ų8294.8 Ų94.853%0.53252%0.521SS..  trans-59.5132.6177.4-23.334000111.7K355 V359K355-P357 WeakPolarHBondContact O-CD 3.28Å; P357-V359 PolarHBondContact O-N 3.36Å
358R95.5Very high94.1Very high241 Ų241104 Ų10491%0.90956%0.562SS**  trans-79.4115.7175-61.6-179.7-174.3-1780.5109.2I356I356-R358 PolarHBondContact O-N 3.06Å
359V92.3Very high94Very high120 Ų120110.7 Ų110.773%0.72759%0.591SS**  trans-119.3134.7-179.5-175.60000109.6P357P357-V359 PolarHBondContact O-N 3.36Å
360L92.2Very high93.9Very high160 Ų160115 Ų11584%0.83861%0.614SS**  trans-79131.6171.7-72.5171.4000109.7
361P91.6Very high93.7Very high100 Ų100121.2 Ų121.265%0.64964%0.637SS**  trans-58.5131.7175.4-24.333.8000111.4V363P361-V363 HydrophobicContact CB-CG2 4.48Å; P361-V363 PolarHBondContact O-N 2.94Å
362P90Very high93.5Very high137 Ų137119.7 Ų119.789%0.8963%0.632SS**  trans-80.652.7-176.634.6-37.4000111.8
363V94Very high93.5Very high100 Ų100122.4 Ų122.461%0.60664%0.642SS**  trans-120.9124.5-177.3-170.90000109.4P361 I365P361-V363 HydrophobicContact CB-CG2 4.48Å; P361-V363 PolarHBondContact O-N 2.94Å; V363-I365 HydrophobicContact CG1-CD1 4.03Å; V363-I365 HydrophobicContact CG1-CG1 3.72Å
364T92.4Very high93.4Very high145 Ų145122.2 Ų122.289%0.8964%0.643SS**  trans-96.2121.6172.9-580000109.3
365I93.4Very high93.3Very high139 Ų139116.2 Ų116.271%0.71361%0.611SS**  trans-125.9131.5-177.1-52.6177.1000109.1V363V363-I365 HydrophobicContact CG1-CD1 4.03Å; V363-I365 HydrophobicContact CG1-CG1 3.72Å
366V93.9Very high93.4Very high128 Ų128110.6 Ų110.678%0.77659%0.587SS**  trans-88.7111172.1-178.40000109.2
367A93.8Very high93.3Very high93 Ų93112.1 Ų112.177%0.76959%0.593SS**  trans-74144.4178.300000111.9
368K94.5Very high93.3Very high195 Ų195110 Ų11085%0.84858%0.579SS**  trans-128.1134.7170-70.4-176.1178.7179.20109.4
369Q93.9Very high93.4Very high149 Ų14998.6 Ų98.670%0.69654%0.536SS*.  trans-76.7144.9173.5-62.9-177.933.300110.2R371Q369-R371 PolarHBondContact O-N 3.18Å
370L93.8Very high93.6Very high115 Ų11595.2 Ų95.260%0.60251%0.51SS*.  trans-66.4127.4168.3-17665.7000109.1M372 N373 K374L370-M372 VanDerWaalsContact C-N 3.26Å; L370-M372 HydrophobicContact CD2-CB 4.35Å; L370-M372 HydrophobicContact CG-CB 4.3Å; L370-M372 PolarHBondContact O-N 3.45Å; L370-N373 HydrophobicContact CB-CB 4.43Å; L370-N373 PolarHBondContact O-N 2.96Å; L370-K374 PolarHBondContact O-N 3.05Å
371R91.3Very high93.9Very high134 Ų13494.2 Ų94.251%0.50650%0.495SS..Hα-helixtrans-50.4-46-177.3-72.9174.574.6169.53.8112.2Q369 N373 K374 L375 Q570 L572Q369-R371 PolarHBondContact O-N 3.18Å; R371-N373 VanDerWaalsContact C-N 3.35Å; R371-N373 PolarHBondContact O-N 2.91Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.34Å; R371-K374 VanDerWaalsContact O-N 3.17Å; R371-L375 PolarHBondContact O-N 3.1Å; R371-Q570 PolarHBondContact NH2-O 3.23Å; R371-L572 PolarHBondContact NE-O 3.11Å; R371-L572 PolarHBondContact NH2-O 3.48Å
372M91.8Very high94.1Very high24 Ų2492.3 Ų92.312%0.11848%0.478CS..Hα-helixtrans-55.8-45.7178.4-171.661.172.900113.1L370 L375 T376 R471 F562 E563 M566L370-M372 VanDerWaalsContact C-N 3.26Å; L370-M372 HydrophobicContact CD2-CB 4.35Å; L370-M372 HydrophobicContact CG-CB 4.3Å; L370-M372 PolarHBondContact O-N 3.45Å; M372-L375 PolarHBondContact O-N 3.18Å; M372-T376 WeakPolarHBondContact O-CB 3.38Å; M372-T376 PolarHBondContact O-N 2.9Å; M372-T376 PolarHBondContact O-OG1 3.42Å; M372-R471 HydrophobicContact CG-CB 4.17Å; M372-R471 HydrophobicContact CG-CG 4.29Å; M372-R471 HydrophobicContact SD-CB 3.87Å; M372-R471 HydrophobicContact SD-CG 4.08Å; M372-F562 HydrophobicContact CE-CB 4.3Å; M372-F562 HydrophobicContact SD-CB 3.51Å; M372-F562 VanDerWaalsContact SD-CB 3.51Å; M372-F562 HydrophobicContact SD-CD2 4.01Å; M372-F562 HydrophobicContact SD-CG 4.27Å; M372-E563 HydrophobicContact CE-CB 4.43Å; M372-E563 HydrophobicContact CE-CG 3.45Å; M372-E563 VanDerWaalsContact CE-CG 3.45Å; M372-M566 HydrophobicContact CB-SD 4.47Å; M372-M566 HydrophobicContact CE-CE 3.77Å; M372-M566 HydrophobicContact CE-SD 3.38Å; M372-M566 WeakPolarHBondContact CE-SD 3.37Å; M372-M566 HydrophobicContact SD-SD 3.82Å
373N94.5Very high94.5Very high79 Ų7985.8 Ų85.842%0.42244%0.435SS..Hα-helixtrans-71.4-36.4-179.9-70.6-12.5000111.4L370 R371 T376 E377L370-N373 HydrophobicContact CB-CB 4.43Å; L370-N373 PolarHBondContact O-N 2.96Å; R371-N373 VanDerWaalsContact C-N 3.35Å; R371-N373 PolarHBondContact O-N 2.91Å; N373-T376 PolarHBondContact O-N 3.26Å; N373-E377 WeakPolarHBondContact O-CB 3.15Å; N373-E377 PolarHBondContact O-N 3.34Å
374K93.4Very high94.6Very high127 Ų12783.5 Ų83.555%0.55243%0.427SS*.Hα-helixtrans-61.6-47.3174.7-172.9-175.3177.3-1700110.9L370 R371 E377 T378L370-K374 PolarHBondContact O-N 3.05Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.34Å; R371-K374 VanDerWaalsContact O-N 3.17Å; K374-E377 PolarHBondContact O-N 3.1Å; K374-T378 PolarHBondContact O-N 3.36Å; K374-T378 PolarHBondContact O-OG1 2.78Å
375L92Very high94.8Very high9 Ų981.7 Ų81.75%0.04742%0.416CS..Hα-helixtrans-62-44.4176.5-175.463000111.4R371 M372 E377 T378 F379 L498 F562 M566 L572R371-L375 PolarHBondContact O-N 3.1Å; M372-L375 PolarHBondContact O-N 3.18Å; L375-E377 VanDerWaalsContact C-N 3.32Å; L375-E377 PolarHBondContact O-N 2.7Å; L375-T378 PolarHBondContact O-N 2.84Å; L375-F379 HydrophobicContact CD1-CD2 3.96Å; L375-F379 HydrophobicContact CD1-CE2 3.74Å; L375-F379 HydrophobicContact CG-CD2 4.18Å; L375-F379 HydrophobicContact CG-CE2 4.14Å; L375-F379 PolarHBondContact O-N 2.95Å; L375-L498 HydrophobicContact CD1-CD2 3.91Å; L375-F562 HydrophobicContact CB-CD2 4.41Å; L375-F562 HydrophobicContact CB-CE2 4.34Å; L375-F562 HydrophobicContact CD2-CD2 3.83Å; L375-F562 HydrophobicContact CD2-CE2 4.15Å; L375-F562 HydrophobicContact CD2-CG 4.49Å; L375-F562 HydrophobicContact CG-CD2 3.97Å; L375-F562 HydrophobicContact CG-CE2 3.81Å; L375-M566 HydrophobicContact CD2-CG 4Å; L375-M566 HydrophobicContact CD2-SD 4.37Å; L375-L572 HydrophobicContact CD1-CD2 4.49Å
376T95.3Very high94.9Very high3 Ų377 Ų772%0.01840%0.395CS..Hα-helixtrans-55.8-46.3176-62.80000111.7M372 N373 T378 F379 R380 I456M372-T376 WeakPolarHBondContact O-CB 3.38Å; M372-T376 PolarHBondContact O-N 2.9Å; M372-T376 PolarHBondContact O-OG1 3.42Å; N373-T376 PolarHBondContact O-N 3.26Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T376-T378 PolarHBondContact O-N 2.7Å; T376-F379 PolarHBondContact O-N 2.76Å; T376-R380 WeakPolarHBondContact O-CB 3.41Å; T376-R380 PolarHBondContact O-N 3.5Å; T376-I456 HydrophobicContact CG2-CB 4.07Å; T376-I456 HydrophobicContact CG2-CG2 3.63Å
377E96Very high95.1Very high74 Ų7473.1 Ų73.135%0.34638%0.382SS..Hα-helixtrans-69.7-31.9-179.7-168.357-149.200112.8N373 K374 L375 R380 R381N373-E377 WeakPolarHBondContact O-CB 3.15Å; N373-E377 PolarHBondContact O-N 3.34Å; K374-E377 PolarHBondContact O-N 3.1Å; L375-E377 VanDerWaalsContact C-N 3.32Å; L375-E377 PolarHBondContact O-N 2.7Å; E377-R380 IonicContact OE2-CZ 2.62Å; E377-R380 IonicContact OE2-NH1 3.47Å; E377-R380 PolarHBondContact OE2-NH1 2.71Å; E377-R381 PolarHBondContact O-N 2.84Å; E377-R381 PolarHBondContact O-NE 3.33Å
378T94.6Very high95.2Very high39 Ų3969.2 Ų69.224%0.23935%0.347CS..Hα-helixtrans-65-52.7171.1-58.60000110.6K374 L375 T376 R380 R381 E382 M497K374-T378 PolarHBondContact O-N 3.36Å; K374-T378 PolarHBondContact O-OG1 2.78Å; L375-T378 PolarHBondContact O-N 2.84Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T376-T378 PolarHBondContact O-N 2.7Å; T378-R380 VanDerWaalsContact C-N 3.32Å; T378-R380 PolarHBondContact O-N 3.04Å; T378-R381 PolarHBondContact O-N 3.2Å; T378-E382 HydrophobicContact CG2-CG 4.49Å; T378-E382 WeakPolarHBondContact O-CG 3.1Å; T378-E382 PolarHBondContact O-N 3.46Å; T378-M497 HydrophobicContact CG2-CE 4.11Å; T378-M497 HydrophobicContact CG2-SD 3.71Å
379F96.5Very high95.4Very high0 Ų064.2 Ų64.20%033%0.333CS..Hα-helixtrans-55.9-45.9177.8-93.3-119.4000112.3L375 T376 R381 E382 I383 I456 L494 M497 L498 F562 M565L375-F379 HydrophobicContact CD1-CD2 3.96Å; L375-F379 HydrophobicContact CD1-CE2 3.74Å; L375-F379 HydrophobicContact CG-CD2 4.18Å; L375-F379 HydrophobicContact CG-CE2 4.14Å; L375-F379 PolarHBondContact O-N 2.95Å; T376-F379 PolarHBondContact O-N 2.76Å; F379-R381 VanDerWaalsContact C-N 3.27Å; F379-R381 PolarHBondContact O-N 2.82Å; F379-E382 PolarHBondContact O-N 3.46Å; F379-I383 HydrophobicContact CB-CD1 4.14Å; F379-I383 HydrophobicContact CD1-CD1 4.2Å; F379-I383 WeakPolarHBondContact O-CB 3.32Å; F379-I383 VanDerWaalsContact O-CD1 3.32Å; F379-I383 WeakPolarHBondContact O-CD1 3.32Å; F379-I383 WeakPolarHBondContact O-CG1 3.34Å; F379-I383 PolarHBondContact O-N 3.08Å; F379-I456 HydrophobicContact CB-CD1 3.56Å; F379-L494 HydrophobicContact CD1-CD1 4.13Å; F379-L494 HydrophobicContact CD1-CD2 3.84Å; F379-L494 HydrophobicContact CE1-CB 4.27Å; F379-L494 HydrophobicContact CE1-CD1 3.94Å; F379-L494 HydrophobicContact CE1-CD2 4Å; F379-L494 HydrophobicContact CE1-CG 4.3Å; F379-L494 HydrophobicContact CG-CD2 4.34Å; F379-M497 HydrophobicContact CD2-CE 3.69Å; F379-M497 HydrophobicContact CE2-CE 3.67Å; F379-M497 HydrophobicContact CG-CE 4.4Å; F379-M497 HydrophobicContact CZ-CE 4.37Å; F379-L498 HydrophobicContact CE2-CD1 3.82Å; F379-L498 HydrophobicContact CE2-CD2 3.86Å; F379-L498 HydrophobicContact CE2-CG 4.13Å; F379-L498 HydrophobicContact CZ-CD1 3.72Å; F379-L498 HydrophobicContact CZ-CG 4.36Å; F379-F562 HydrophobicContact CB-CE2 4.37Å; F379-F562 HydrophobicContact CB-CZ 3.74Å; F379-F562 AromaticContact CD1-CE1 3.82Å; F379-F562 HydrophobicContact CD1-CE1 3.82Å; F379-F562 AromaticContact CD1-CZ 3.47Å; F379-F562 HydrophobicContact CD1-CZ 3.47Å; F379-F562 VanDerWaalsContact CD1-CZ 3.47Å; F379-F562 HydrophobicContact CD2-CE2 4.15Å; F379-F562 AromaticContact CD2-CZ 3.8Å; F379-F562 HydrophobicContact CD2-CZ 3.8Å; F379-F562 AromaticContact CE1-CE1 3.94Å; F379-F562 HydrophobicContact CE1-CE1 3.94Å; F379-F562 AromaticContact CE1-CZ 3.94Å; F379-F562 HydrophobicContact CE1-CZ 3.94Å; F379-F562 HydrophobicContact CE2-CZ 4.23Å; F379-F562 HydrophobicContact CG-CE1 4.22Å; F379-F562 HydrophobicContact CG-CE2 4.13Å; F379-F562 AromaticContact CG-CZ 3.4Å; F379-F562 HydrophobicContact CG-CZ 3.4Å; F379-F562 VanDerWaalsContact CG-CZ 3.4Å; F379-F562 HydrophobicContact CZ-CE1 4.44Å; F379-F562 HydrophobicContact CZ-CZ 4.3Å; F379-M565 HydrophobicContact CZ-CE 3.81Å; F379-M565 HydrophobicContact CZ-SD 4.28Å
380R97.7Very high95.6Very high49 Ų4960.6 Ų60.619%0.18532%0.316CS..Hα-helixtrans-52-47178.8176.7-178.9-74105.113.9112T376 E377 T378 A384 E390 F454 I456T376-R380 WeakPolarHBondContact O-CB 3.41Å; T376-R380 PolarHBondContact O-N 3.5Å; E377-R380 IonicContact OE2-CZ 2.62Å; E377-R380 IonicContact OE2-NH1 3.47Å; E377-R380 PolarHBondContact OE2-NH1 2.71Å; T378-R380 VanDerWaalsContact C-N 3.32Å; T378-R380 PolarHBondContact O-N 3.04Å; R380-A384 WeakPolarHBondContact O-CB 3.32Å; R380-A384 PolarHBondContact O-N 3.33Å; R380-A384 VanDerWaalsContact O-N 3.08Å; R380-E390 WeakPolarHBondContact CD-OE2 3.31Å; R380-E390 WeakPolarHBondContact CG-OE2 3.23Å; R380-E390 IonicContact CZ-OE1 3.42Å; R380-E390 VanDerWaalsContact CZ-OE1 3.27Å; R380-E390 IonicContact CZ-OE2 3.07Å; R380-E390 IonicContact NE-OE1 3.67Å; R380-E390 PolarHBondContact NE-OE1 3.44Å; R380-E390 IonicContact NE-OE2 3.58Å; R380-E390 PolarHBondContact NE-OE2 3.18Å; R380-E390 IonicContact NH2-OE1 2.67Å; R380-E390 PolarHBondContact NH2-OE1 3.46Å; R380-F454 HydrophobicContact CG-CE2 4.49Å; R380-F454 HydrophobicContact CG-CZ 4.38Å; R380-I456 HydrophobicContact CB-CD1 4.2Å
381R96.9Very high95.8Very high139 Ų13956.4 Ų56.453%0.52529%0.294SS..Hα-helixtrans-65.1-46.2179.8-74.9-178.4-77.6-148.60.8112E377 T378 F379 A384 T385E377-R381 PolarHBondContact O-N 2.84Å; E377-R381 PolarHBondContact O-NE 3.33Å; T378-R381 PolarHBondContact O-N 3.2Å; F379-R381 VanDerWaalsContact C-N 3.27Å; F379-R381 PolarHBondContact O-N 2.82Å; R381-A384 PolarHBondContact O-N 3.25Å; R381-T385 WeakPolarHBondContact O-CG2 3.16Å; R381-T385 PolarHBondContact O-N 3.44Å; R381-T385 PolarHBondContact O-OG1 3.32Å
382E96.3Very high96.2Very high61 Ų6157.2 Ų57.229%0.28531%0.308SS..Hα-helixtrans-67.6-37.3-177.6-61.7-62.114700112.9T378 F379 T385 S386 H493 L494 M497T378-E382 HydrophobicContact CG2-CG 4.49Å; T378-E382 WeakPolarHBondContact O-CG 3.1Å; T378-E382 PolarHBondContact O-N 3.46Å; F379-E382 PolarHBondContact O-N 3.46Å; E382-T385 VanDerWaalsContact CA-OG1 3.28Å; E382-T385 WeakPolarHBondContact CA-OG1 3.33Å; E382-T385 PolarHBondContact O-N 2.81Å; E382-T385 PolarHBondContact O-OG1 3.03Å; E382-S386 WeakPolarHBondContact O-CB 3.31Å; E382-S386 PolarHBondContact O-N 2.75Å; E382-S386 PolarHBondContact O-OG 2.9Å; E382-H493 IonicContact OE2-NE2 3.49Å; E382-L494 HydrophobicContact CB-CD2 4.38Å; E382-M497 HydrophobicContact CG-CE 4.24Å; E382-M497 HydrophobicContact CG-CG 3.96Å
383I97.8Very high96.4Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-70.3-39.4176.5-61.8158000110.3F379 S386 F388 F454 I456 F473 L490 L494F379-I383 HydrophobicContact CB-CD1 4.14Å; F379-I383 HydrophobicContact CD1-CD1 4.2Å; F379-I383 WeakPolarHBondContact O-CB 3.32Å; F379-I383 VanDerWaalsContact O-CD1 3.32Å; F379-I383 WeakPolarHBondContact O-CD1 3.32Å; F379-I383 WeakPolarHBondContact O-CG1 3.34Å; F379-I383 PolarHBondContact O-N 3.08Å; I383-S386 WeakPolarHBondContact O-CA 3.27Å; I383-S386 WeakPolarHBondContact O-CB 3.11Å; I383-S386 PolarHBondContact O-N 3.23Å; I383-S386 VanDerWaalsContact O-N 3.14Å; I383-F388 HydrophobicContact CG2-CB 3.56Å; I383-F388 HydrophobicContact CG2-CG 4.06Å; I383-F388 PolarHBondContact O-N 3.03Å; I383-F454 HydrophobicContact CB-CD1 4.39Å; I383-F454 HydrophobicContact CB-CD2 4.09Å; I383-F454 HydrophobicContact CB-CE1 4.16Å; I383-F454 HydrophobicContact CB-CE2 3.9Å; I383-F454 HydrophobicContact CB-CG 4.31Å; I383-F454 HydrophobicContact CB-CZ 3.91Å; I383-F454 HydrophobicContact CD1-CD2 3.87Å; I383-F454 HydrophobicContact CD1-CE2 4Å; I383-F454 HydrophobicContact CG2-CB 3.96Å; I383-F454 HydrophobicContact CG2-CD1 3.43Å; I383-F454 VanDerWaalsContact CG2-CD1 3.43Å; I383-F454 HydrophobicContact CG2-CD2 3.64Å; I383-F454 HydrophobicContact CG2-CE1 3.64Å; I383-F454 HydrophobicContact CG2-CE2 3.88Å; I383-F454 HydrophobicContact CG2-CG 3.39Å; I383-F454 HydrophobicContact CG2-CZ 3.85Å; I383-I456 HydrophobicContact CD1-CD1 3.94Å; I383-I456 HydrophobicContact CD1-CG1 4.47Å; I383-F473 HydrophobicContact CD1-CD2 3.56Å; I383-F473 HydrophobicContact CD1-CE1 4.5Å; I383-F473 HydrophobicContact CD1-CE2 3.21Å; I383-F473 HydrophobicContact CD1-CG 4.33Å; I383-F473 HydrophobicContact CD1-CZ 3.74Å; I383-F473 HydrophobicContact CG1-CE2 4.1Å; I383-F473 HydrophobicContact CG1-CZ 4.3Å; I383-F473 HydrophobicContact CG2-CE2 4.43Å; I383-L490 HydrophobicContact CG1-CD1 4.4Å; I383-L494 HydrophobicContact CD1-CD1 4.48Å; I383-L494 HydrophobicContact CD1-CD2 4.43Å; I383-L494 HydrophobicContact CG1-CD1 4.28Å; I383-L494 HydrophobicContact CG1-CD2 3.87Å
384A97.5Very high96.5Very high52 Ų5260.9 Ų60.943%0.4332%0.321SS..Hα-helixtrans-62.4-42.7174.200000111.9R380 R381 S386 G387R380-A384 WeakPolarHBondContact O-CB 3.32Å; R380-A384 PolarHBondContact O-N 3.33Å; R380-A384 VanDerWaalsContact O-N 3.08Å; R381-A384 PolarHBondContact O-N 3.25Å; A384-S386 PolarHBondContact O-N 3.31Å; A384-G387 PolarHBondContact O-N 3.29Å
385T96.6Very high96.7Very high107 Ų10757.4 Ų57.466%0.65632%0.316SS*.Hα-helixtrans-67-23174.9490000113R381 E382 G387R381-T385 WeakPolarHBondContact O-CG2 3.16Å; R381-T385 PolarHBondContact O-N 3.44Å; R381-T385 PolarHBondContact O-OG1 3.32Å; E382-T385 VanDerWaalsContact CA-OG1 3.28Å; E382-T385 WeakPolarHBondContact CA-OG1 3.33Å; E382-T385 PolarHBondContact O-N 2.81Å; E382-T385 PolarHBondContact O-OG1 3.03Å; T385-G387 PolarHBondContact O-N 3.24Å
386S95.9Very high97Very high39 Ų3960 Ų6027%0.27333%0.329SS..THydrogen-bonded Turntrans-76.62.7171.2-59.10000113.7E382 I383 A384 H493E382-S386 WeakPolarHBondContact O-CB 3.31Å; E382-S386 PolarHBondContact O-N 2.75Å; E382-S386 PolarHBondContact O-OG 2.9Å; I383-S386 WeakPolarHBondContact O-CA 3.27Å; I383-S386 WeakPolarHBondContact O-CB 3.11Å; I383-S386 PolarHBondContact O-N 3.23Å; I383-S386 VanDerWaalsContact O-N 3.14Å; A384-S386 PolarHBondContact O-N 3.31Å; S386-H493 PolarHBondContact OG-CD2 3.46Å
387G96.3Very high97Very high48 Ų4860.4 Ų60.450%0.49533%0.332SS..THydrogen-bonded Turntrans82.518.3175.900000114.6A384 T385A384-G387 PolarHBondContact O-N 3.29Å; T385-G387 PolarHBondContact O-N 3.24Å
388F97.9Very high97.1Very high11 Ų1157.2 Ų57.25%0.04832%0.318CS..PPolyproline II helixtrans-91.6147.8169.9-77.3-111000110.2I383 K452 F454 A475 V486 I487 L490I383-F388 HydrophobicContact CG2-CB 3.56Å; I383-F388 HydrophobicContact CG2-CG 4.06Å; I383-F388 PolarHBondContact O-N 3.03Å; F388-K452 CarbonylContact C-O 3.35Å; F388-K452 WeakPolarHBondContact CA-O 3.39Å; F388-K452 HydrophobicContact CB-CB 4.37Å; F388-K452 HydrophobicContact CD1-CB 3.69Å; F388-K452 HydrophobicContact CD2-CB 4.15Å; F388-K452 HydrophobicContact CD2-CD 4.22Å; F388-K452 HydrophobicContact CE1-CB 3.91Å; F388-K452 HydrophobicContact CE1-CG 4.4Å; F388-K452 HydrophobicContact CE2-CB 4.35Å; F388-K452 HydrophobicContact CE2-CD 4.04Å; F388-K452 HydrophobicContact CE2-CG 4.46Å; F388-K452 HydrophobicContact CG-CB 3.8Å; F388-K452 HydrophobicContact CZ-CB 4.23Å; F388-K452 HydrophobicContact CZ-CD 4.35Å; F388-K452 HydrophobicContact CZ-CG 4.32Å; F388-F454 HydrophobicContact CB-CD1 3.61Å; F388-F454 HydrophobicContact CB-CE1 4.16Å; F388-F454 HydrophobicContact CB-CG 4.4Å; F388-F454 HydrophobicContact CD1-CB 4.5Å; F388-A475 HydrophobicContact CD1-CB 4.08Å; F388-A475 HydrophobicContact CE1-CB 3.89Å; F388-V486 HydrophobicContact CE2-CG1 4.43Å; F388-V486 HydrophobicContact CZ-CG1 4.33Å; F388-I487 HydrophobicContact CE1-CD1 4.01Å; F388-I487 HydrophobicContact CZ-CD1 3.97Å; F388-L490 HydrophobicContact CD1-CD2 4.39Å; F388-L490 HydrophobicContact CD2-CD2 4.23Å; F388-L490 HydrophobicContact CE1-CD2 4.04Å; F388-L490 HydrophobicContact CE2-CD1 4.4Å; F388-L490 HydrophobicContact CE2-CD2 3.85Å; F388-L490 HydrophobicContact CZ-CD2 3.75Å
389T98.1Very high97.1Very high89 Ų8957 Ų5755%0.54632%0.318SS..EExtended strand (participates in β ladder)trans-102.9125.9178.6-57.10000109.9K452 L453 F454T389-K452 PolarHBondContact N-O 3.49Å; T389-L453 CarbonylContact O-C 3.58Å; T389-L453 WeakPolarHBondContact O-CA 3.37Å; T389-F454 VanDerWaalsContact C-CD1 3.4Å; T389-F454 WeakPolarHBondContact O-CD1 3.41Å; T389-F454 PolarHBondContact O-N 2.92Å
390E98.4Very high97.1Very high74 Ų7458.9 Ų58.935%0.34633%0.331SS..EExtended strand (participates in β ladder)trans-71.3140.9176.4-164.2174.7-161.600110.3R380 F454R380-E390 WeakPolarHBondContact CD-OE2 3.31Å; R380-E390 WeakPolarHBondContact CG-OE2 3.23Å; R380-E390 IonicContact CZ-OE1 3.42Å; R380-E390 VanDerWaalsContact CZ-OE1 3.27Å; R380-E390 IonicContact CZ-OE2 3.07Å; R380-E390 IonicContact NE-OE1 3.67Å; R380-E390 PolarHBondContact NE-OE1 3.44Å; R380-E390 IonicContact NE-OE2 3.58Å; R380-E390 PolarHBondContact NE-OE2 3.18Å; R380-E390 IonicContact NH2-OE1 2.67Å; R380-E390 PolarHBondContact NH2-OE1 3.46Å; E390-F454 CarbonylContact C-O 3.59Å; E390-F454 VanDerWaalsContact CA-CE1 3.49Å; E390-F454 VanDerWaalsContact CA-O 3.26Å; E390-F454 WeakPolarHBondContact CA-O 3.42Å; E390-F454 HydrophobicContact CB-CD1 4.18Å; E390-F454 HydrophobicContact CB-CE1 3.61Å; E390-F454 HydrophobicContact CB-CE2 4.08Å; E390-F454 HydrophobicContact CB-CZ 3.55Å; E390-F454 HydrophobicContact CG-CD2 4.4Å; E390-F454 HydrophobicContact CG-CE1 4.35Å; E390-F454 HydrophobicContact CG-CE2 3.94Å; E390-F454 HydrophobicContact CG-CZ 3.94Å
391I98.1Very high97.1Very high26 Ų2656.6 Ų56.613%0.13332%0.323CS..  trans-126.1162.3174.659.7167.2000110.7T393 I437 T440 L453 F454 E455I391-T393 HydrophobicContact CD1-CG2 3.97Å; I391-T393 HydrophobicContact CG1-CG2 4.47Å; I391-I437 HydrophobicContact CD1-CB 3.98Å; I391-I437 HydrophobicContact CD1-CD1 4.48Å; I391-I437 HydrophobicContact CD1-CG1 3.86Å; I391-I437 HydrophobicContact CD1-CG2 3.85Å; I391-T440 HydrophobicContact CD1-CG2 3.97Å; I391-T440 HydrophobicContact CG2-CG2 4.17Å; I391-L453 HydrophobicContact CD1-CB 4.34Å; I391-L453 HydrophobicContact CD1-CD1 4.34Å; I391-L453 HydrophobicContact CG2-CB 4.45Å; I391-L453 HydrophobicContact CG2-CD1 4.37Å; I391-L453 HydrophobicContact CG2-CD2 4.07Å; I391-F454 WeakPolarHBondContact CG1-O 3.45Å; I391-F454 PolarHBondContact N-O 3.26Å; I391-E455 HydrophobicContact CG1-CB 4.24Å; I391-E455 WeakPolarHBondContact O-CG 3.39Å
392L97.9Very high97Very high152 Ų15250 Ų5080%0.79630%0.298SS*.  trans-123.4106.5179.5-167.986.4000109.2
393T97.3Very high96.9Very high18 Ų1847.6 Ų47.611%0.1129%0.288CS..  trans-98.3159.2-178.667.60000111.6I391 R430 G436 E455I391-T393 HydrophobicContact CD1-CG2 3.97Å; I391-T393 HydrophobicContact CG1-CG2 4.47Å; T393-R430 PolarHBondContact O-NH1 3.18Å; T393-R430 PolarHBondContact OG1-NH1 3.42Å; T393-G436 WeakPolarHBondContact CG2-O 3.27Å; T393-E455 VanDerWaalsContact CB-OE2 3.28Å; T393-E455 WeakPolarHBondContact CB-OE2 3.43Å; T393-E455 WeakPolarHBondContact CG2-OE2 3.34Å; T393-E455 PolarHBondContact N-OE1 2.92Å; T393-E455 VanDerWaalsContact N-OE1 3.17Å; T393-E455 VanDerWaalsContact OG1-CD 3.25Å; T393-E455 PolarHBondContact OG1-OE1 3.24Å; T393-E455 PolarHBondContact OG1-OE2 3.44Å
394F96.7Very high96.8Very high162 Ų16252.6 Ų52.671%0.71132%0.319SS*.  trans-66139.4173.8-73.9-81.8000110.8L396F394-L396 PolarHBondContact O-N 2.95Å
395A97Very high96.8Very high53 Ų5352.8 Ų52.844%0.43831%0.309SS..SBendtrans-72.9-17.3173.900000113.2A429 R430A395-A429 CarbonylContact O-C 3.53Å; A395-A429 WeakPolarHBondContact O-CA 3.04Å; A395-R430 PolarHBondContact O-N 3.09Å
396L97.4Very high96.7Very high64 Ų6447.7 Ų47.734%0.33528%0.278SS..EExtended strand (participates in β ladder)trans-105.5141.3175.7-59.9-179.2000110.2F394 V418 D425 F426 V428 A429F394-L396 PolarHBondContact O-N 2.95Å; L396-V418 HydrophobicContact CD2-CG2 3.94Å; L396-D425 CarbonylContact C-O 3.6Å; L396-F426 HydrophobicContact CB-CB 4.24Å; L396-F426 HydrophobicContact CB-CD1 3.59Å; L396-F426 HydrophobicContact CB-CE1 4.37Å; L396-F426 HydrophobicContact CB-CG 4.21Å; L396-F426 HydrophobicContact CD1-CB 4.05Å; L396-F426 HydrophobicContact CD1-CD1 4.26Å; L396-F426 HydrophobicContact CD1-CG 4.15Å; L396-V428 CarbonylContact C-O 3.52Å; L396-V428 WeakPolarHBondContact CA-O 3.32Å; L396-A429 HydrophobicContact CD2-CB 4.33Å
397C96.5Very high96.7Very high11 Ų1148.2 Ų48.27%0.07428%0.278CS..EExtended strand (participates in β ladder)trans-145.6173.7-179.759.60000111.6D401 V402 D425 Q427 V428C397-D401 HydrophobicContact CB-CB 4.16Å; C397-V402 VanDerWaalsContact SG-CG1 3.59Å; C397-D425 CarbonylContact C-O 3.59Å; C397-D425 WeakPolarHBondContact CA-O 3.11Å; C397-D425 PolarHBondContact N-O 2.97Å; C397-Q427 PolarHBondContact O-N 3.09Å; C397-Q427 VanDerWaalsContact O-N 3.12Å; C397-V428 PolarHBondContact N-O 2.83Å; C397-V428 PolarHBondContact O-N 2.89Å
398S96.8Very high96.5Very high7 Ų748 Ų485%0.04927%0.266CS..  trans-73.5153.917475.30000110S400 D401 L424 D425S398-S400 PolarHBondContact O-N 3.44Å; S398-S400 PolarHBondContact OG-N 2.99Å; S398-S400 PolarHBondContact OG-OG 2.68Å; S398-D401 PolarHBondContact N-OD2 3.5Å; S398-D401 WeakPolarHBondContact O-CB 3.17Å; S398-D401 PolarHBondContact O-N 2.97Å; S398-D401 VanDerWaalsContact O-N 3.11Å; S398-D401 PolarHBondContact OG-N 3.32Å; S398-D401 VanDerWaalsContact OG-N 3.11Å; S398-D401 PolarHBondContact OG-OD1 2.79Å; S398-D401 PolarHBondContact OG-OD2 3.27Å; S398-L424 WeakPolarHBondContact CA-O 3.34Å; S398-L424 VanDerWaalsContact CB-O 3.26Å; S398-L424 WeakPolarHBondContact CB-O 3.42Å; S398-D425 PolarHBondContact N-O 3.47Å
399S96.3Very high96.1Very high35 Ų3552 Ų5225%0.24529%0.292CS..G310 helixtrans-57.3-35.9173.256.30000111.5D401 V402 S403 Q427S399-D401 VanDerWaalsContact C-N 3.34Å; S399-D401 PolarHBondContact O-N 2.88Å; S399-V402 WeakPolarHBondContact O-CG2 3.47Å; S399-S403 PolarHBondContact O-N 3.45Å; S399-S403 PolarHBondContact O-OG 3.37Å; S399-Q427 PolarHBondContact OG-OE1 3.26Å
400S96.1Very high95.7Very high40 Ų4053 Ų5328%0.2830%0.295SS..G310 helixtrans-67.3-28.9178.259.30000114.1S398 V402 S403 T404 K405S398-S400 PolarHBondContact O-N 3.44Å; S398-S400 PolarHBondContact OG-N 2.99Å; S398-S400 PolarHBondContact OG-OG 2.68Å; S400-V402 VanDerWaalsContact C-N 3.32Å; S400-V402 PolarHBondContact O-N 3.35Å; S400-S403 PolarHBondContact O-N 3.23Å; S400-T404 PolarHBondContact O-N 2.87Å; S400-K405 WeakPolarHBondContact O-CB 3.27Å; S400-K405 WeakPolarHBondContact O-CG 3.15Å; S400-K405 PolarHBondContact O-N 2.94Å
401D96.6Very high95.2Very high1 Ų149.9 Ų49.91%0.00528%0.282CS..G310 helixtrans-66.3-33.6-179.4-68.7-36.9000112.9C397 S398 S399 K405 L406 P435 K439C397-D401 HydrophobicContact CB-CB 4.16Å; S398-D401 PolarHBondContact N-OD2 3.5Å; S398-D401 WeakPolarHBondContact O-CB 3.17Å; S398-D401 PolarHBondContact O-N 2.97Å; S398-D401 VanDerWaalsContact O-N 3.11Å; S398-D401 PolarHBondContact OG-N 3.32Å; S398-D401 VanDerWaalsContact OG-N 3.11Å; S398-D401 PolarHBondContact OG-OD1 2.79Å; S398-D401 PolarHBondContact OG-OD2 3.27Å; S399-D401 VanDerWaalsContact C-N 3.34Å; S399-D401 PolarHBondContact O-N 2.88Å; D401-K405 IonicContact OD1-NZ 2.82Å; D401-K405 PolarHBondContact OD1-NZ 2.9Å; D401-L406 WeakPolarHBondContact O-CG 3.31Å; D401-P435 HydrophobicContact CB-CB 4.06Å; D401-P435 VanDerWaalsContact O-CG 3.27Å; D401-P435 WeakPolarHBondContact O-CG 3.27Å; D401-K439 WeakPolarHBondContact OD1-CE 3.34Å; D401-K439 IonicContact OD1-NZ 3.94Å; D401-K439 WeakPolarHBondContact OD2-CE 3.39Å; D401-K439 IonicContact OD2-NZ 3.62Å; D401-K439 PolarHBondContact OD2-NZ 3.14Å
402V95Very high95Very high1 Ų151.3 Ų51.31%0.00629%0.29CS..THydrogen-bonded Turntrans-100.3-1.3-179-64.90000113.4C397 S399 S400 G411 L412 V428 T431 P435C397-V402 VanDerWaalsContact SG-CG1 3.59Å; S399-V402 WeakPolarHBondContact O-CG2 3.47Å; S400-V402 VanDerWaalsContact C-N 3.32Å; S400-V402 PolarHBondContact O-N 3.35Å; V402-G411 WeakPolarHBondContact O-CA 3.31Å; V402-L412 HydrophobicContact CG2-CD2 3.91Å; V402-V428 HydrophobicContact CG2-CG2 3.79Å; V402-T431 WeakPolarHBondContact CB-OG1 3.39Å; V402-T431 WeakPolarHBondContact CG1-OG1 3.45Å; V402-P435 HydrophobicContact CG1-CG 4.38Å
403S95.3Very high94.8Very high9 Ų947.5 Ų47.56%0.06328%0.276CS..THydrogen-bonded Turntrans-128.2-90.7-179.161.50000111.8S399 S400 K405 L406 N407 D408S399-S403 PolarHBondContact O-N 3.45Å; S399-S403 PolarHBondContact O-OG 3.37Å; S400-S403 PolarHBondContact O-N 3.23Å; S403-K405 VanDerWaalsContact C-N 3.34Å; S403-K405 PolarHBondContact O-N 3.25Å; S403-L406 CarbonylContact O-C 3.12Å; S403-L406 PolarHBondContact O-N 3.29Å; S403-N407 PolarHBondContact O-N 3.24Å; S403-D408 CarbonylContact C-O 3.56Å; S403-D408 WeakPolarHBondContact CA-O 3.48Å; S403-D408 PolarHBondContact O-N 2.86Å
404T95.2Very high94.5Very high106 Ų10651.3 Ų51.365%0.6529%0.293SS*.G310 helixtrans-55.4-44.3-172.2-440000112.9S400 L406 N407S400-T404 PolarHBondContact O-N 2.87Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 3.42Å; T404-N407 PolarHBondContact O-N 3.39Å; T404-N407 VanDerWaalsContact O-N 3.11Å
405K96.4Very high94.4Very high55 Ų5543.7 Ų43.724%0.23926%0.259CS..G310 helixtrans-71.3-19.7-178.7-64-172.8-175.2164.90113.6S400 D401 S403 V545 A548 F549S400-K405 WeakPolarHBondContact O-CB 3.27Å; S400-K405 WeakPolarHBondContact O-CG 3.15Å; S400-K405 PolarHBondContact O-N 2.94Å; D401-K405 IonicContact OD1-NZ 2.82Å; D401-K405 PolarHBondContact OD1-NZ 2.9Å; S403-K405 VanDerWaalsContact C-N 3.34Å; S403-K405 PolarHBondContact O-N 3.25Å; K405-V545 WeakPolarHBondContact O-CG1 3.22Å; K405-A548 HydrophobicContact CB-CB 4.02Å; K405-A548 HydrophobicContact CG-CB 4.11Å; K405-F549 HydrophobicContact CB-CD2 4.11Å; K405-F549 HydrophobicContact CB-CE2 3.43Å; K405-F549 VanDerWaalsContact CB-CE2 3.43Å; K405-F549 HydrophobicContact CB-CZ 3.69Å; K405-F549 HydrophobicContact CD-CD1 4.25Å; K405-F549 HydrophobicContact CD-CD2 4.46Å; K405-F549 HydrophobicContact CD-CE1 3.89Å; K405-F549 HydrophobicContact CD-CE2 4.13Å; K405-F549 HydrophobicContact CD-CZ 3.82Å; K405-F549 HydrophobicContact CG-CE2 4.44Å; K405-F549 HydrophobicContact CG-CZ 4.45Å
406L96.2Very high94.4Very high1 Ų143.2 Ų43.21%0.00525%0.251CS..G310 helixtrans-95.77.9173.2-66.7-177.6000112.6D401 S403 T404 D408 K432 L434 P435 A517 V545 F549D401-L406 WeakPolarHBondContact O-CG 3.31Å; S403-L406 CarbonylContact O-C 3.12Å; S403-L406 PolarHBondContact O-N 3.29Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 3.42Å; L406-D408 HydrophobicContact CB-CB 4.48Å; L406-D408 PolarHBondContact O-N 3.32Å; L406-D408 VanDerWaalsContact O-N 3.17Å; L406-K432 HydrophobicContact CD1-CD 4.07Å; L406-L434 HydrophobicContact CD2-CD2 4.08Å; L406-P435 HydrophobicContact CD1-CG 3.87Å; L406-P435 HydrophobicContact CD2-CG 4.44Å; L406-P435 HydrophobicContact CG-CG 4.35Å; L406-A517 WeakPolarHBondContact O-CA 3.22Å; L406-A517 WeakPolarHBondContact O-CB 3.08Å; L406-V545 HydrophobicContact CD2-CG1 4.01Å; L406-F549 HydrophobicContact CD2-CE2 4.02Å
407N94.6Very high94.3Very high50 Ų5046.5 Ų46.527%0.26727%0.265SS..THydrogen-bonded Turntrans54.827.8-173.3-64.4-25.4000113.9S403 T404 P409 R516S403-N407 PolarHBondContact O-N 3.24Å; T404-N407 PolarHBondContact O-N 3.39Å; T404-N407 VanDerWaalsContact O-N 3.11Å; N407-P409 WeakPolarHBondContact O-CD 3.46Å; N407-R516 HydrophobicContact CB-CB 3.95Å; N407-R516 PolarHBondContact ND2-O 3.17Å; N407-R516 WeakPolarHBondContact O-CB 3.25Å; N407-R516 WeakPolarHBondContact O-CD 3.5Å
408D93.1Very high94.2Very high43 Ų4348.7 Ų48.723%0.2328%0.277CS..  trans-105.9100.2-178.6-172.9-6.4000110.6S403 L406 N410 G411S403-D408 CarbonylContact C-O 3.56Å; S403-D408 WeakPolarHBondContact CA-O 3.48Å; S403-D408 PolarHBondContact O-N 2.86Å; L406-D408 HydrophobicContact CB-CB 4.48Å; L406-D408 PolarHBondContact O-N 3.32Å; L406-D408 VanDerWaalsContact O-N 3.17Å; D408-N410 PolarHBondContact O-N 3.19Å; D408-N410 WeakPolarHBondContact OD1-CA 3.33Å; D408-N410 PolarHBondContact OD1-N 2.77Å; D408-G411 VanDerWaalsContact CG-N 3.34Å; D408-G411 PolarHBondContact O-N 3.13Å; D408-G411 PolarHBondContact OD1-N 2.86Å; D408-G411 VanDerWaalsContact OD1-N 3.14Å
409P88.1Confident94Very high94 Ų9452.5 Ų52.561%0.6131%0.309SS*.THydrogen-bonded Turntrans-65.1-21177.928.1-34.5000112.8N407N407-P409 WeakPolarHBondContact O-CD 3.46Å
410N91.1Very high93.9Very high111 Ų11158.4 Ų58.459%0.59434%0.338SS*.THydrogen-bonded Turntrans-100.13.5179.9-65.3-37.7000112.8D408 L412 S413D408-N410 PolarHBondContact O-N 3.19Å; D408-N410 WeakPolarHBondContact OD1-CA 3.33Å; D408-N410 PolarHBondContact OD1-N 2.77Å; N410-L412 PolarHBondContact O-N 3.27Å; N410-S413 VanDerWaalsContact O-CB 3.29Å; N410-S413 WeakPolarHBondContact O-CB 3.28Å; N410-S413 PolarHBondContact O-N 2.89Å; N410-S413 PolarHBondContact O-OG 2.95Å
411G88.4Confident93.7Very high8 Ų859.1 Ų59.18%0.08234%0.342CS..THydrogen-bonded Turntrans-60-18-17400000115.2V402 D408V402-G411 WeakPolarHBondContact O-CA 3.31Å; D408-G411 VanDerWaalsContact CG-N 3.34Å; D408-G411 PolarHBondContact O-N 3.13Å; D408-G411 PolarHBondContact OD1-N 2.86Å; D408-G411 VanDerWaalsContact OD1-N 3.14Å
412L93.2Very high93.5Very high56 Ų5668.9 Ų68.929%0.29338%0.384SS..THydrogen-bonded Turntrans-94.8-8.6175.5-62.8179000114.6V402 N410 E414 A415 V428V402-L412 HydrophobicContact CG2-CD2 3.91Å; N410-L412 PolarHBondContact O-N 3.27Å; L412-E414 PolarHBondContact O-N 2.88Å; L412-A415 HydrophobicContact CD2-CB 4.3Å; L412-A415 PolarHBondContact O-N 3.15Å; L412-V428 HydrophobicContact CD2-CG1 4.25Å
413S92.4Very high93.5Very high72 Ų7272 Ų7250%0.50340%0.403SS..THydrogen-bonded Turntrans-60.8-47.5-17559.30000112N410 K462N410-S413 VanDerWaalsContact O-CB 3.29Å; N410-S413 WeakPolarHBondContact O-CB 3.28Å; N410-S413 PolarHBondContact O-N 2.89Å; N410-S413 PolarHBondContact O-OG 2.95Å; S413-K462 WeakPolarHBondContact O-CE 3.37Å; S413-K462 PolarHBondContact O-NZ 2.96Å; S413-K462 VanDerWaalsContact O-NZ 3.13Å
414E91.8Very high93.4Very high99 Ų9977.8 Ų77.846%0.46343%0.433SS..SBendtrans-95.50.3178.8-59.3-168.5164.700113.4L412 L461 K462L412-E414 PolarHBondContact O-N 2.88Å; E414-L461 HydrophobicContact CB-CD2 4.29Å; E414-L461 CarbonylContact O-C 3.55Å; E414-K462 WeakPolarHBondContact O-CB 3.48Å; E414-K462 PolarHBondContact O-N 3.28Å
415A95.5Very high93.2Very high1 Ų176.7 Ų76.71%0.00842%0.423CS..PPolyproline II helixtrans-73.8143.6179.100000111.8L412 V428 T431L412-A415 HydrophobicContact CD2-CB 4.3Å; L412-A415 PolarHBondContact O-N 3.15Å; A415-V428 HydrophobicContact CB-CB 4.48Å; A415-T431 HydrophobicContact CB-CG2 3.72Å
416V96.3Very high93.2Very high43 Ų4377.8 Ų77.826%0.26143%0.428SS..PPolyproline II helixtrans-91.4126.4170.41790000108.9V428 A429 V460 K462 A467V416-V428 CarbonylContact O-C 3.54Å; V416-V428 VanDerWaalsContact O-CA 3.27Å; V416-V428 WeakPolarHBondContact O-CA 3.04Å; V416-V428 WeakPolarHBondContact O-CB 3.29Å; V416-A429 HydrophobicContact CB-CB 4.32Å; V416-A429 PolarHBondContact O-N 2.84Å; V416-V460 HydrophobicContact CB-CG1 4.26Å; V416-V460 HydrophobicContact CG2-CG1 3.64Å; V416-K462 HydrophobicContact CG2-CB 4.22Å; V416-A467 HydrophobicContact CG2-CB 3.7Å
417Q94.5Very high93.2Very high134 Ų13480.2 Ų80.263%0.62644%0.439SS*.BIsolated β-bridgetrans-100.3138-175.8-58.5-175.92.400111.1V428Q417-V428 HydrophobicContact CG-CG1 4.09Å
418V95.6Very high93.3Very high57 Ų5777.9 Ų77.935%0.34543%0.427SS..PPolyproline II helixtrans-82.7128.9176.6-179.60000109.3L396 F426 Q427L396-V418 HydrophobicContact CD2-CG2 3.94Å; V418-F426 WeakPolarHBondContact CB-O 3.36Å; V418-F426 WeakPolarHBondContact CG2-O 3.3Å; V418-Q427 PolarHBondContact N-O 3.17Å
419A93.4Very high93.5Very high87 Ų8776.4 Ų76.472%0.71942%0.421SS*.SBendtrans-74.1129.6172.800000110.4
420N93.1Very high93.9Very high158 Ų15872.7 Ų72.785%0.84539%0.394SS*.SBendtrans53.959.1179.1-55.9-39.4000114.2K422N420-K422 PolarHBondContact O-N 3.4Å
421P93Very high94.1Very high55 Ų5568 Ų6836%0.35737%0.369SS..  trans-65.4132.9-179.530.1-35.1000110.7T423 F426 Q427P421-T423 VanDerWaalsContact C-N 3.29Å; P421-T423 PolarHBondContact O-N 3.37Å; P421-F426 WeakPolarHBondContact CB-O 3.38Å; P421-Q427 HydrophobicContact CG-CG 4.27Å
422K92.2Very high94.5Very high207 Ų20769.7 Ų69.790%0.938%0.375SS*.SBendtrans-69.5-26.5178.3-71-168.4175.8-175.50113.1N420N420-K422 PolarHBondContact O-N 3.4Å
423T94.3Very high94.7Very high66 Ų6667 Ų6741%0.40536%0.361SS..SBendtrans-138.2157.7-179.466.90000110.4P421 D425 F426P421-T423 VanDerWaalsContact C-N 3.29Å; P421-T423 PolarHBondContact O-N 3.37Å; T423-D425 PolarHBondContact O-N 2.99Å; T423-F426 PolarHBondContact O-N 3.07Å; T423-F426 WeakPolarHBondContact OG1-CD2 3.29Å
424L92.3Very high94.9Very high130 Ų13063.9 Ų63.968%0.68134%0.338SS*.G310 helixtrans-66-24.1178-65.9175.2000113.2S398 F426 Q427S398-L424 WeakPolarHBondContact CA-O 3.34Å; S398-L424 VanDerWaalsContact CB-O 3.26Å; S398-L424 WeakPolarHBondContact CB-O 3.42Å; L424-F426 PolarHBondContact O-N 3.13Å; L424-Q427 VanDerWaalsContact O-CG 3.31Å; L424-Q427 WeakPolarHBondContact O-CG 3.39Å
425D92.4Very high95.2Very high84 Ų8459.3 Ų59.345%0.44932%0.317SS..G310 helixtrans-75.6-8177-77.2-57.6000113.3L396 C397 S398 T423 K439L396-D425 CarbonylContact C-O 3.6Å; C397-D425 CarbonylContact C-O 3.59Å; C397-D425 WeakPolarHBondContact CA-O 3.11Å; C397-D425 PolarHBondContact N-O 2.97Å; S398-D425 PolarHBondContact N-O 3.47Å; T423-D425 PolarHBondContact O-N 2.99Å; D425-K439 IonicContact OD1-NZ 3.9Å; D425-K439 PolarHBondContact OD1-NZ 3.22Å
426F95Very high95.3Very high77 Ų7760 Ų6034%0.33833%0.325SS..G310 helixtrans-118.334-178.2-61.1-26000113.1L396 V418 P421 T423 L424L396-F426 HydrophobicContact CB-CB 4.24Å; L396-F426 HydrophobicContact CB-CD1 3.59Å; L396-F426 HydrophobicContact CB-CE1 4.37Å; L396-F426 HydrophobicContact CB-CG 4.21Å; L396-F426 HydrophobicContact CD1-CB 4.05Å; L396-F426 HydrophobicContact CD1-CD1 4.26Å; L396-F426 HydrophobicContact CD1-CG 4.15Å; V418-F426 WeakPolarHBondContact CB-O 3.36Å; V418-F426 WeakPolarHBondContact CG2-O 3.3Å; P421-F426 WeakPolarHBondContact CB-O 3.38Å; T423-F426 PolarHBondContact O-N 3.07Å; T423-F426 WeakPolarHBondContact OG1-CD2 3.29Å; L424-F426 PolarHBondContact O-N 3.13Å
427Q96.6Very high95.4Very high52 Ų5258 Ų5824%0.24331%0.313CS..SBendtrans-76.6-36.8-177.9-73.6177.6-3000113.2C397 S399 V418 P421 L424C397-Q427 PolarHBondContact O-N 3.09Å; C397-Q427 VanDerWaalsContact O-N 3.12Å; S399-Q427 PolarHBondContact OG-OE1 3.26Å; V418-Q427 PolarHBondContact N-O 3.17Å; P421-Q427 HydrophobicContact CG-CG 4.27Å; L424-Q427 VanDerWaalsContact O-CG 3.31Å; L424-Q427 WeakPolarHBondContact O-CG 3.39Å
428V97.1Very high95.5Very high2 Ų251.6 Ų51.61%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-137.7153-175.2-58.60000111.6L396 C397 V402 L412 A415 V416 Q417L396-V428 CarbonylContact C-O 3.52Å; L396-V428 WeakPolarHBondContact CA-O 3.32Å; C397-V428 PolarHBondContact N-O 2.83Å; C397-V428 PolarHBondContact O-N 2.89Å; V402-V428 HydrophobicContact CG2-CG2 3.79Å; L412-V428 HydrophobicContact CD2-CG1 4.25Å; A415-V428 HydrophobicContact CB-CB 4.48Å; V416-V428 CarbonylContact O-C 3.54Å; V416-V428 VanDerWaalsContact O-CA 3.27Å; V416-V428 WeakPolarHBondContact O-CA 3.04Å; V416-V428 WeakPolarHBondContact O-CB 3.29Å; Q417-V428 HydrophobicContact CG-CG1 4.09Å
429A97.3Very high95.6Very high12 Ų1250.8 Ų50.810%0.09928%0.275CS..EExtended strand (participates in β ladder)trans-72.514216400000109.9A395 L396 V416 T431 V460A395-A429 CarbonylContact O-C 3.53Å; A395-A429 WeakPolarHBondContact O-CA 3.04Å; L396-A429 HydrophobicContact CD2-CB 4.33Å; V416-A429 HydrophobicContact CB-CB 4.32Å; V416-A429 PolarHBondContact O-N 2.84Å; A429-T431 PolarHBondContact O-N 3.42Å; A429-V460 HydrophobicContact CB-CB 3.84Å; A429-V460 HydrophobicContact CB-CG1 4.48Å; A429-V460 HydrophobicContact CB-CG2 3.89Å
430R96.7Very high95.8Very high16 Ų1648.3 Ų48.36%0.0625%0.25CS..  trans-61.6131.8-178.666.9-178.4176.1-166.1-9111.2T393 A395 E455 Q457 D458 I459 V460T393-R430 PolarHBondContact O-NH1 3.18Å; T393-R430 PolarHBondContact OG1-NH1 3.42Å; A395-R430 PolarHBondContact O-N 3.09Å; R430-E455 IonicContact CZ-OE1 2.7Å; R430-E455 IonicContact NH1-OE1 3.27Å; R430-E455 PolarHBondContact NH1-OE1 3.34Å; R430-E455 IonicContact NH1-OE2 3.57Å; R430-Q457 VanDerWaalsContact NH2-CB 3.33Å; R430-D458 VanDerWaalsContact CZ-O 3.28Å; R430-D458 PolarHBondContact NE-O 3.35Å; R430-D458 PolarHBondContact NH2-O 3.49Å; R430-I459 HydrophobicContact CG-CG2 4.44Å; R430-I459 WeakPolarHBondContact O-CA 3.42Å; R430-V460 PolarHBondContact O-N 3.4Å
431T95.9Very high96Very high11 Ų1140.8 Ų40.87%0.06721%0.21CC..SBendtrans-100.2-14.7176.156.10000112.6V402 A415 A429 I459 L461V402-T431 WeakPolarHBondContact CB-OG1 3.39Å; V402-T431 WeakPolarHBondContact CG1-OG1 3.45Å; A415-T431 HydrophobicContact CB-CG2 3.72Å; A429-T431 PolarHBondContact O-N 3.42Å; T431-I459 WeakPolarHBondContact O-CD1 3.42Å; T431-L461 HydrophobicContact CG2-CD2 4.06Å
432K95.7Very high96.2Very high44 Ų4442 Ų4219%0.19121%0.208CC..  trans-142.8152.4176.5-60.5-174.1-175.3178.10108.4L406L406-K432 HydrophobicContact CD1-CD 4.07Å
433L97.8Very high96.4Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..SBendtrans-79.8-29175.7-67176.6000112.1G436 I437 E455 Q457 I459 N472 C474 E559L433-G436 PolarHBondContact O-N 2.94Å; L433-G436 VanDerWaalsContact O-N 3.09Å; L433-I437 PolarHBondContact O-N 3.15Å; L433-E455 HydrophobicContact CD2-CG 4.44Å; L433-Q457 HydrophobicContact CD2-CB 3.97Å; L433-I459 HydrophobicContact CD2-CG2 4.1Å; L433-I459 HydrophobicContact CG-CG2 4.05Å; L433-N472 HydrophobicContact CD1-CB 3.82Å; L433-N472 VanDerWaalsContact CD1-O 3.31Å; L433-N472 WeakPolarHBondContact CD1-O 3.34Å; L433-N472 HydrophobicContact CG-CB 4.22Å; L433-C474 HydrophobicContact CB-CB 3.54Å; L433-C474 HydrophobicContact CD1-CB 4.01Å; L433-C474 HydrophobicContact CG-CB 4.39Å; L433-E559 PolarHBondContact N-OE1 3.32Å
434L97.5Very high96.5Very high5 Ų537.9 Ų37.93%0.02619%0.189CC..Hα-helixtrans-47.7-48.6-174.5179.965.8000114.8L406 G436 I437 L438 V476 L541L406-L434 HydrophobicContact CD2-CD2 4.08Å; L434-G436 VanDerWaalsContact C-N 3.29Å; L434-G436 PolarHBondContact O-N 3.27Å; L434-I437 PolarHBondContact O-N 3.27Å; L434-I437 VanDerWaalsContact O-N 3.09Å; L434-L438 HydrophobicContact CD1-CD1 4.2Å; L434-L438 HydrophobicContact CD1-CD2 4.17Å; L434-L438 HydrophobicContact CD1-CG 4Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 HydrophobicContact CG-CG 4.2Å; L434-L438 WeakPolarHBondContact O-CG 3.31Å; L434-L438 PolarHBondContact O-N 3.29Å; L434-V476 HydrophobicContact CD1-CG2 3.65Å; L434-L541 HydrophobicContact CD1-CD1 4.32Å; L434-L541 HydrophobicContact CD2-CD1 4.45Å; L434-L541 HydrophobicContact CD2-CD2 3.8Å
435P97.2Very high96.4Very high3 Ų336.4 Ų36.42%0.01917%0.174CC..Hα-helixtrans-58.3-38.3-178.8-26.937.3000114.1D401 V402 L406 L438 K439 F549D401-P435 HydrophobicContact CB-CB 4.06Å; D401-P435 VanDerWaalsContact O-CG 3.27Å; D401-P435 WeakPolarHBondContact O-CG 3.27Å; V402-P435 HydrophobicContact CG1-CG 4.38Å; L406-P435 HydrophobicContact CD1-CG 3.87Å; L406-P435 HydrophobicContact CD2-CG 4.44Å; L406-P435 HydrophobicContact CG-CG 4.35Å; P435-L438 PolarHBondContact O-N 2.99Å; P435-K439 WeakPolarHBondContact O-CG 3.45Å; P435-K439 PolarHBondContact O-N 3.43Å; P435-F549 HydrophobicContact CB-CE1 4.09Å; P435-F549 HydrophobicContact CB-CZ 3.87Å; P435-F549 HydrophobicContact CG-CZ 4.46Å
436G97.5Very high96.3Very high17 Ų1741.8 Ų41.818%0.17520%0.197CC..Hα-helixtrans-64.8-41.5177.200000111.6T393 L433 L434 K439 T440T393-G436 WeakPolarHBondContact CG2-O 3.27Å; L433-G436 PolarHBondContact O-N 2.94Å; L433-G436 VanDerWaalsContact O-N 3.09Å; L434-G436 VanDerWaalsContact C-N 3.29Å; L434-G436 PolarHBondContact O-N 3.27Å; G436-K439 PolarHBondContact O-N 3.31Å; G436-T440 PolarHBondContact O-N 3.1Å; G436-T440 PolarHBondContact O-OG1 2.83Å
437I98Very high96.1Very high0 Ų046.1 Ų46.10%021%0.211CC..Hα-helixtrans-64.8-45.3176.9-48.8-162000110.6I391 L433 L434 K439 T440 I441 L453 E455 C474 V476I391-I437 HydrophobicContact CD1-CB 3.98Å; I391-I437 HydrophobicContact CD1-CD1 4.48Å; I391-I437 HydrophobicContact CD1-CG1 3.86Å; I391-I437 HydrophobicContact CD1-CG2 3.85Å; L433-I437 PolarHBondContact O-N 3.15Å; L434-I437 PolarHBondContact O-N 3.27Å; L434-I437 VanDerWaalsContact O-N 3.09Å; I437-K439 PolarHBondContact O-N 2.92Å; I437-T440 WeakPolarHBondContact O-CA 3.49Å; I437-T440 WeakPolarHBondContact O-CB 3.39Å; I437-T440 PolarHBondContact O-N 3.41Å; I437-I441 HydrophobicContact CG2-CD1 4.27Å; I437-I441 WeakPolarHBondContact O-CG1 3.4Å; I437-I441 PolarHBondContact O-N 2.77Å; I437-L453 HydrophobicContact CG2-CB 3.93Å; I437-L453 HydrophobicContact CG2-CD1 4.34Å; I437-E455 HydrophobicContact CD1-CB 4.25Å; I437-C474 HydrophobicContact CD1-CB 3.85Å; I437-C474 WeakPolarHBondContact CD1-O 3.21Å; I437-V476 HydrophobicContact CB-CG2 4.09Å; I437-V476 HydrophobicContact CD1-CG2 4.29Å; I437-V476 HydrophobicContact CG2-CB 3.79Å; I437-V476 HydrophobicContact CG2-CG2 3.59Å
438L97.8Very high95.9Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-62.8-42177.8-62.5-179.9000112.3L434 P435 T440 I441 R442 V476 L541 V545 F549 L551L434-L438 HydrophobicContact CD1-CD1 4.2Å; L434-L438 HydrophobicContact CD1-CD2 4.17Å; L434-L438 HydrophobicContact CD1-CG 4Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 HydrophobicContact CG-CG 4.2Å; L434-L438 WeakPolarHBondContact O-CG 3.31Å; L434-L438 PolarHBondContact O-N 3.29Å; P435-L438 PolarHBondContact O-N 2.99Å; L438-T440 VanDerWaalsContact C-N 3.27Å; L438-T440 PolarHBondContact O-N 3.02Å; L438-I441 HydrophobicContact CD2-CD1 4.28Å; L438-I441 PolarHBondContact O-N 3.04Å; L438-R442 PolarHBondContact O-N 3.15Å; L438-V476 HydrophobicContact CD2-CG1 4.5Å; L438-L541 HydrophobicContact CD1-CD1 3.75Å; L438-L541 HydrophobicContact CD2-CD1 3.66Å; L438-L541 HydrophobicContact CG-CD1 4.3Å; L438-V545 HydrophobicContact CD1-CG1 4.21Å; L438-F549 HydrophobicContact CB-CB 4.1Å; L438-F549 HydrophobicContact CB-CD1 3.81Å; L438-F549 HydrophobicContact CB-CD2 4.3Å; L438-F549 HydrophobicContact CB-CE1 4.31Å; L438-F549 HydrophobicContact CB-CG 3.81Å; L438-F549 HydrophobicContact CD1-CD1 4.49Å; L438-F549 HydrophobicContact CD1-CD2 3.57Å; L438-F549 HydrophobicContact CD1-CE2 3.79Å; L438-F549 HydrophobicContact CD1-CG 3.96Å; L438-F549 HydrophobicContact CD1-CZ 4.36Å; L438-L551 HydrophobicContact CB-CD1 4.27Å; L438-L551 HydrophobicContact CD2-CD1 3.78Å
439K97.2Very high95.8Very high40 Ų4051.2 Ų51.217%0.17425%0.247CC..Hα-helixtrans-59.5-39.5171-78.2-171.4178.3-173.90111.4D401 D425 P435 G436 I437 R442 H443 F549D401-K439 WeakPolarHBondContact OD1-CE 3.34Å; D401-K439 IonicContact OD1-NZ 3.94Å; D401-K439 WeakPolarHBondContact OD2-CE 3.39Å; D401-K439 IonicContact OD2-NZ 3.62Å; D401-K439 PolarHBondContact OD2-NZ 3.14Å; D425-K439 IonicContact OD1-NZ 3.9Å; D425-K439 PolarHBondContact OD1-NZ 3.22Å; P435-K439 WeakPolarHBondContact O-CG 3.45Å; P435-K439 PolarHBondContact O-N 3.43Å; G436-K439 PolarHBondContact O-N 3.31Å; I437-K439 PolarHBondContact O-N 2.92Å; K439-R442 WeakPolarHBondContact O-CB 3.28Å; K439-R442 PolarHBondContact O-N 2.98Å; K439-H443 PolarHBondContact O-N 3.14Å; K439-H443 VanDerWaalsContact O-N 3.1Å; K439-H443 PolarHBondContact O-ND1 2.93Å; K439-F549 HydrophobicContact CG-CD1 4.21Å; K439-F549 HydrophobicContact CG-CE1 4.22Å
440T97.8Very high95.7Very high34 Ų3454.1 Ų54.121%0.20927%0.265CS..Hα-helixtrans-65-42.8178.6-57.90000111.5I391 G436 I437 L438 R442 H443 N444 L453I391-T440 HydrophobicContact CD1-CG2 3.97Å; I391-T440 HydrophobicContact CG2-CG2 4.17Å; G436-T440 PolarHBondContact O-N 3.1Å; G436-T440 PolarHBondContact O-OG1 2.83Å; I437-T440 WeakPolarHBondContact O-CA 3.49Å; I437-T440 WeakPolarHBondContact O-CB 3.39Å; I437-T440 PolarHBondContact O-N 3.41Å; L438-T440 VanDerWaalsContact C-N 3.27Å; L438-T440 PolarHBondContact O-N 3.02Å; T440-R442 VanDerWaalsContact C-N 3.33Å; T440-R442 PolarHBondContact O-N 3.49Å; T440-H443 PolarHBondContact O-N 2.64Å; T440-N444 PolarHBondContact O-N 2.84Å; T440-N444 PolarHBondContact O-ND2 2.92Å; T440-L453 HydrophobicContact CG2-CD1 4.15Å
441I97.5Very high95.7Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-59.6-45.4173.6-65.1165000110.3I437 L438 H443 N444 R445 L451 L453 V476 Y478 L551I437-I441 HydrophobicContact CG2-CD1 4.27Å; I437-I441 WeakPolarHBondContact O-CG1 3.4Å; I437-I441 PolarHBondContact O-N 2.77Å; L438-I441 HydrophobicContact CD2-CD1 4.28Å; L438-I441 PolarHBondContact O-N 3.04Å; I441-H443 VanDerWaalsContact C-N 3.28Å; I441-H443 PolarHBondContact O-N 3.07Å; I441-N444 CarbonylContact O-C 3.24Å; I441-N444 WeakPolarHBondContact O-CA 3.43Å; I441-N444 PolarHBondContact O-N 3.1Å; I441-R445 PolarHBondContact O-N 3.18Å; I441-L451 HydrophobicContact CG2-CD1 4.26Å; I441-L453 HydrophobicContact CD1-CD1 4.47Å; I441-L453 HydrophobicContact CG1-CD1 3.62Å; I441-V476 HydrophobicContact CD1-CB 4.31Å; I441-V476 HydrophobicContact CD1-CG1 3.65Å; I441-Y478 HydrophobicContact CD1-CG 4.42Å; I441-Y478 HydrophobicContact CG2-CD1 3.39Å; I441-Y478 HydrophobicContact CG2-CD2 4.11Å; I441-Y478 HydrophobicContact CG2-CE1 3.57Å; I441-Y478 HydrophobicContact CG2-CE2 4.24Å; I441-Y478 HydrophobicContact CG2-CG 3.65Å; I441-L551 HydrophobicContact CB-CD2 4.22Å; I441-L551 HydrophobicContact CG2-CD1 4.28Å; I441-L551 HydrophobicContact CG2-CD2 3.76Å
442R96.7Very high95.8Very high82 Ų8257 Ų5731%0.30928%0.278SS..Hα-helixtrans-55.6-41.6176.7157.3176.2106118.219.2112.6L438 K439 T440 N444 R445 E550 L551L438-R442 PolarHBondContact O-N 3.15Å; K439-R442 WeakPolarHBondContact O-CB 3.28Å; K439-R442 PolarHBondContact O-N 2.98Å; T440-R442 VanDerWaalsContact C-N 3.33Å; T440-R442 PolarHBondContact O-N 3.49Å; R442-N444 PolarHBondContact O-N 3.48Å; R442-R445 WeakPolarHBondContact O-CG 3.34Å; R442-E550 IonicContact NH1-OE1 3.97Å; R442-E550 PolarHBondContact NH1-OE1 2.81Å; R442-E550 IonicContact NH1-OE2 3.64Å; R442-L551 HydrophobicContact CB-CD2 3.89Å
443H96.5Very high95.9Very high126 Ų12655.7 Ų55.758%0.58327%0.273SS*.Hα-helixtrans-75.6-10.6178.1-66.795.6000113.2K439 T440 I441K439-H443 PolarHBondContact O-N 3.14Å; K439-H443 VanDerWaalsContact O-N 3.1Å; K439-H443 PolarHBondContact O-ND1 2.93Å; T440-H443 PolarHBondContact O-N 2.64Å; I441-H443 VanDerWaalsContact C-N 3.28Å; I441-H443 PolarHBondContact O-N 3.07Å
444N96.1Very high95.9Very high60 Ų6055.7 Ų55.732%0.32127%0.273SS..THydrogen-bonded Turntrans-118.425.3-177.7-73.3-85.8000113T440 I441 R442 E446 R447 L451T440-N444 PolarHBondContact O-N 2.84Å; T440-N444 PolarHBondContact O-ND2 2.92Å; I441-N444 CarbonylContact O-C 3.24Å; I441-N444 WeakPolarHBondContact O-CA 3.43Å; I441-N444 PolarHBondContact O-N 3.1Å; R442-N444 PolarHBondContact O-N 3.48Å; N444-E446 PolarHBondContact O-N 3.39Å; N444-E446 VanDerWaalsContact O-N 3.1Å; N444-R447 HydrophobicContact CB-CG 4.03Å; N444-R447 WeakPolarHBondContact O-CB 3.35Å; N444-R447 PolarHBondContact O-N 3.4Å; N444-L451 HydrophobicContact CB-CD1 4.46Å
445R90.1Very high96Very high98 Ų9855.5 Ų55.537%0.3727%0.272SS..THydrogen-bonded Turntrans-58.7-23.8-178.9-73.1178.3-165.4155.617.6114.5I441 R442 R447 E550I441-R445 PolarHBondContact O-N 3.18Å; R442-R445 WeakPolarHBondContact O-CG 3.34Å; R445-R447 VanDerWaalsContact C-N 3.25Å; R445-R447 PolarHBondContact O-N 2.8Å; R445-E550 IonicContact CZ-OE2 3.84Å; R445-E550 PolarHBondContact NE-O 3.49Å; R445-E550 VanDerWaalsContact NE-O 3.09Å; R445-E550 PolarHBondContact NH1-O 3.33Å; R445-E550 IonicContact NH1-OE2 3.86Å; R445-E550 PolarHBondContact NH2-O 3.5Å; R445-E550 IonicContact NH2-OE2 2.89Å; R445-E550 PolarHBondContact NH2-OE2 2.91Å
446E89.8Confident96Very high198 Ų19855.3 Ų55.393%0.92527%0.271SS*.THydrogen-bonded Turntrans-77.2-10.9178.8-60.7-177.4174.700113.1N444N444-E446 PolarHBondContact O-N 3.39Å; N444-E446 VanDerWaalsContact O-N 3.1Å
447R91.9Very high96Very high167 Ų16757.1 Ų57.163%0.6328%0.275SS*.SBendtrans-74.6153179-64.9-64-171.4177-0111.6N444 R445 L449 L451N444-R447 HydrophobicContact CB-CG 4.03Å; N444-R447 WeakPolarHBondContact O-CB 3.35Å; N444-R447 PolarHBondContact O-N 3.4Å; R445-R447 VanDerWaalsContact C-N 3.25Å; R445-R447 PolarHBondContact O-N 2.8Å; R447-L449 PolarHBondContact O-N 2.83Å; R447-L451 HydrophobicContact CB-CD2 3.93Å
448S92.6Very high96Very high104 Ų10459 Ų5973%0.72729%0.285SS*.PPolyproline II helixtrans-62.8131.6175.652.90000111.2
449L93.8Very high96Very high58 Ų5859.2 Ų59.230%0.30429%0.286SS..SBendtrans-80.4154.9173.9-62.7174.9000111.5R447 L451 Y478 K480 F553R447-L449 PolarHBondContact O-N 2.83Å; L449-L451 HydrophobicContact CD2-CG 4.39Å; L449-Y478 HydrophobicContact CD2-CD1 3.54Å; L449-Y478 HydrophobicContact CD2-CE1 3.75Å; L449-K480 HydrophobicContact CD1-CG 4.27Å; L449-F553 HydrophobicContact CD1-CD2 3.58Å; L449-F553 HydrophobicContact CD1-CE2 3.49Å; L449-F553 VanDerWaalsContact CD1-CE2 3.49Å; L449-F553 HydrophobicContact CD1-CG 4.18Å; L449-F553 HydrophobicContact CD1-CZ 3.99Å
450P95.7Very high96Very high73 Ų7358.6 Ų58.647%0.47429%0.285SS..PPolyproline II helixcis-79.3148.7-3.932.5-34.3000112.8H477 Y478P450-H477 WeakPolarHBondContact CB-NE2 3.47Å; P450-Y478 CarbonylContact C-O 3.55Å; P450-Y478 VanDerWaalsContact CA-O 3.3Å; P450-Y478 WeakPolarHBondContact CA-O 3.49Å
451L96.7Very high95.9Very high24 Ų2458.5 Ų58.513%0.12628%0.283CS..EExtended strand (participates in β ladder)trans-92.4125168.2-65.2177.5000109.4I441 N444 R447 L449 Y478I441-L451 HydrophobicContact CG2-CD1 4.26Å; N444-L451 HydrophobicContact CB-CD1 4.46Å; R447-L451 HydrophobicContact CB-CD2 3.93Å; L449-L451 HydrophobicContact CD2-CG 4.39Å; L451-Y478 HydrophobicContact CD1-CD1 4.25Å; L451-Y478 PolarHBondContact N-O 2.84Å; L451-Y478 PolarHBondContact O-N 2.86Å
452K97.2Very high95.7Very high63 Ų6362.4 Ų62.427%0.27430%0.301SS..EExtended strand (participates in β ladder)trans-117.1100175.9-66-178.4-176-178.40107.9F388 T389 V476F388-K452 CarbonylContact C-O 3.35Å; F388-K452 WeakPolarHBondContact CA-O 3.39Å; F388-K452 HydrophobicContact CB-CB 4.37Å; F388-K452 HydrophobicContact CD1-CB 3.69Å; F388-K452 HydrophobicContact CD2-CB 4.15Å; F388-K452 HydrophobicContact CD2-CD 4.22Å; F388-K452 HydrophobicContact CE1-CB 3.91Å; F388-K452 HydrophobicContact CE1-CG 4.4Å; F388-K452 HydrophobicContact CE2-CB 4.35Å; F388-K452 HydrophobicContact CE2-CD 4.04Å; F388-K452 HydrophobicContact CE2-CG 4.46Å; F388-K452 HydrophobicContact CG-CB 3.8Å; F388-K452 HydrophobicContact CZ-CB 4.23Å; F388-K452 HydrophobicContact CZ-CD 4.35Å; F388-K452 HydrophobicContact CZ-CG 4.32Å; T389-K452 PolarHBondContact N-O 3.49Å; K452-V476 WeakPolarHBondContact CA-O 3.35Å
453L98.1Very high95.2Very high16 Ų1666.3 Ų66.38%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-116148.6-174.7-56-177000110.4T389 I391 I437 T440 I441 A475 V476T389-L453 CarbonylContact O-C 3.58Å; T389-L453 WeakPolarHBondContact O-CA 3.37Å; I391-L453 HydrophobicContact CD1-CB 4.34Å; I391-L453 HydrophobicContact CD1-CD1 4.34Å; I391-L453 HydrophobicContact CG2-CB 4.45Å; I391-L453 HydrophobicContact CG2-CD1 4.37Å; I391-L453 HydrophobicContact CG2-CD2 4.07Å; I437-L453 HydrophobicContact CG2-CB 3.93Å; I437-L453 HydrophobicContact CG2-CD1 4.34Å; T440-L453 HydrophobicContact CG2-CD1 4.15Å; I441-L453 HydrophobicContact CD1-CD1 4.47Å; I441-L453 HydrophobicContact CG1-CD1 3.62Å; L453-A475 CarbonylContact O-C 3.58Å; L453-A475 WeakPolarHBondContact O-CA 3.46Å; L453-V476 PolarHBondContact N-O 3.03Å; L453-V476 PolarHBondContact O-N 3.45Å
454F98.6Very high94.7Very high1 Ų164.3 Ų64.30%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-146160.6171.379.5-77000112.6R380 I383 F388 T389 E390 I391 I456 F473 C474 A475R380-F454 HydrophobicContact CG-CE2 4.49Å; R380-F454 HydrophobicContact CG-CZ 4.38Å; I383-F454 HydrophobicContact CB-CD1 4.39Å; I383-F454 HydrophobicContact CB-CD2 4.09Å; I383-F454 HydrophobicContact CB-CE1 4.16Å; I383-F454 HydrophobicContact CB-CE2 3.9Å; I383-F454 HydrophobicContact CB-CG 4.31Å; I383-F454 HydrophobicContact CB-CZ 3.91Å; I383-F454 HydrophobicContact CD1-CD2 3.87Å; I383-F454 HydrophobicContact CD1-CE2 4Å; I383-F454 HydrophobicContact CG2-CB 3.96Å; I383-F454 HydrophobicContact CG2-CD1 3.43Å; I383-F454 VanDerWaalsContact CG2-CD1 3.43Å; I383-F454 HydrophobicContact CG2-CD2 3.64Å; I383-F454 HydrophobicContact CG2-CE1 3.64Å; I383-F454 HydrophobicContact CG2-CE2 3.88Å; I383-F454 HydrophobicContact CG2-CG 3.39Å; I383-F454 HydrophobicContact CG2-CZ 3.85Å; F388-F454 HydrophobicContact CB-CD1 3.61Å; F388-F454 HydrophobicContact CB-CE1 4.16Å; F388-F454 HydrophobicContact CB-CG 4.4Å; F388-F454 HydrophobicContact CD1-CB 4.5Å; T389-F454 VanDerWaalsContact C-CD1 3.4Å; T389-F454 WeakPolarHBondContact O-CD1 3.41Å; T389-F454 PolarHBondContact O-N 2.92Å; E390-F454 CarbonylContact C-O 3.59Å; E390-F454 VanDerWaalsContact CA-CE1 3.49Å; E390-F454 VanDerWaalsContact CA-O 3.26Å; E390-F454 WeakPolarHBondContact CA-O 3.42Å; E390-F454 HydrophobicContact CB-CD1 4.18Å; E390-F454 HydrophobicContact CB-CE1 3.61Å; E390-F454 HydrophobicContact CB-CE2 4.08Å; E390-F454 HydrophobicContact CB-CZ 3.55Å; E390-F454 HydrophobicContact CG-CD2 4.4Å; E390-F454 HydrophobicContact CG-CE1 4.35Å; E390-F454 HydrophobicContact CG-CE2 3.94Å; E390-F454 HydrophobicContact CG-CZ 3.94Å; I391-F454 WeakPolarHBondContact CG1-O 3.45Å; I391-F454 PolarHBondContact N-O 3.26Å; F454-I456 HydrophobicContact CD2-CG1 4.11Å; F454-I456 HydrophobicContact CE2-CD1 4.22Å; F454-I456 HydrophobicContact CE2-CG1 4.2Å; F454-F473 HydrophobicContact CB-CE2 4.01Å; F454-F473 HydrophobicContact CD2-CD2 4.39Å; F454-F473 HydrophobicContact CD2-CE2 4.23Å; F454-C474 CarbonylContact C-O 3.43Å; F454-C474 WeakPolarHBondContact CA-O 3.41Å; F454-C474 WeakPolarHBondContact CB-O 3.46Å; F454-A475 HydrophobicContact CB-CB 3.98Å
455E98.5Very high94.2Very high1 Ų164.7 Ų64.71%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-143.5142.1171.8-175.7173.2-176.100109.2I391 T393 R430 L433 I437 Q457 F473 C474I391-E455 HydrophobicContact CG1-CB 4.24Å; I391-E455 WeakPolarHBondContact O-CG 3.39Å; T393-E455 VanDerWaalsContact CB-OE2 3.28Å; T393-E455 WeakPolarHBondContact CB-OE2 3.43Å; T393-E455 WeakPolarHBondContact CG2-OE2 3.34Å; T393-E455 PolarHBondContact N-OE1 2.92Å; T393-E455 VanDerWaalsContact N-OE1 3.17Å; T393-E455 VanDerWaalsContact OG1-CD 3.25Å; T393-E455 PolarHBondContact OG1-OE1 3.24Å; T393-E455 PolarHBondContact OG1-OE2 3.44Å; R430-E455 IonicContact CZ-OE1 2.7Å; R430-E455 IonicContact NH1-OE1 3.27Å; R430-E455 PolarHBondContact NH1-OE1 3.34Å; R430-E455 IonicContact NH1-OE2 3.57Å; L433-E455 HydrophobicContact CD2-CG 4.44Å; I437-E455 HydrophobicContact CD1-CB 4.25Å; E455-Q457 HydrophobicContact CG-CB 3.95Å; E455-Q457 HydrophobicContact CG-CG 3.93Å; E455-Q457 WeakPolarHBondContact OE1-CG 3.34Å; E455-F473 CarbonylContact O-C 3.41Å; E455-F473 WeakPolarHBondContact O-CA 3.29Å; E455-C474 PolarHBondContact N-O 3.47Å; E455-C474 PolarHBondContact O-N 2.86Å
456I98Very high94.3Very high0 Ų064.4 Ų64.40%036%0.36CS..EExtended strand (participates in β ladder)trans-124.3103.3170.1-46.3173.7000109T376 F379 R380 I383 F454 R471 N472 F473 F562T376-I456 HydrophobicContact CG2-CB 4.07Å; T376-I456 HydrophobicContact CG2-CG2 3.63Å; F379-I456 HydrophobicContact CB-CD1 3.56Å; R380-I456 HydrophobicContact CB-CD1 4.2Å; I383-I456 HydrophobicContact CD1-CD1 3.94Å; I383-I456 HydrophobicContact CD1-CG1 4.47Å; F454-I456 HydrophobicContact CD2-CG1 4.11Å; F454-I456 HydrophobicContact CE2-CD1 4.22Å; F454-I456 HydrophobicContact CE2-CG1 4.2Å; I456-R471 HydrophobicContact CG2-CG 4.37Å; I456-N472 CarbonylContact C-O 3.57Å; I456-N472 VanDerWaalsContact CA-O 3.27Å; I456-N472 WeakPolarHBondContact CA-O 3.28Å; I456-N472 WeakPolarHBondContact CG2-O 3.31Å; I456-F473 HydrophobicContact CD1-CD2 4.46Å; I456-F473 HydrophobicContact CG1-CB 4.06Å; I456-F473 HydrophobicContact CG1-CD2 3.84Å; I456-F473 HydrophobicContact CG1-CG 4.37Å; I456-F473 HydrophobicContact CG2-CB 4.24Å; I456-F562 HydrophobicContact CD1-CZ 4.4Å; I456-F562 HydrophobicContact CG2-CE1 4.21Å; I456-F562 HydrophobicContact CG2-CE2 4.26Å; I456-F562 HydrophobicContact CG2-CZ 3.88Å
457Q97.6Very high94.6Very high54 Ų5457.7 Ų57.725%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-155.8169.6-169.8-92.4-58.1-21.900113.3R430 L433 E455 N472R430-Q457 VanDerWaalsContact NH2-CB 3.33Å; L433-Q457 HydrophobicContact CD2-CB 3.97Å; E455-Q457 HydrophobicContact CG-CB 3.95Å; E455-Q457 HydrophobicContact CG-CG 3.93Å; E455-Q457 WeakPolarHBondContact OE1-CG 3.34Å; Q457-N472 PolarHBondContact N-O 2.94Å; Q457-N472 PolarHBondContact O-N 3.4Å
458D97.6Very high94.8Very high39 Ų3954.9 Ų54.921%0.20933%0.334CS..EExtended strand (participates in β ladder)trans-75.7134.5178.2-69.6-10.7000112.3R430 N469 R470 R471R430-D458 VanDerWaalsContact CZ-O 3.28Å; R430-D458 PolarHBondContact NE-O 3.35Å; R430-D458 PolarHBondContact NH2-O 3.49Å; D458-N469 HydrophobicContact CB-CB 4.2Å; D458-N469 PolarHBondContact OD2-ND2 3.02Å; D458-R470 CarbonylContact C-O 3.51Å; D458-R470 VanDerWaalsContact CA-O 3.27Å; D458-R470 WeakPolarHBondContact CA-O 3.29Å; D458-R471 IonicContact OD1-CZ 3.06Å; D458-R471 IonicContact OD1-NE 3.96Å; D458-R471 PolarHBondContact OD1-NE 3.48Å; D458-R471 IonicContact OD1-NH2 3.79Å; D458-R471 PolarHBondContact OD1-NH2 3.08Å; D458-R471 IonicContact OD2-NH2 3.25Å; D458-R471 PolarHBondContact OD2-NH2 3.5Å
459I97.4Very high94.9Very high6 Ų654.2 Ų54.23%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-101.7161.2159.459.7160.2000109.5R430 T431 L433 L461 N469 R470 N472R430-I459 HydrophobicContact CG-CG2 4.44Å; R430-I459 WeakPolarHBondContact O-CA 3.42Å; T431-I459 WeakPolarHBondContact O-CD1 3.42Å; L433-I459 HydrophobicContact CD2-CG2 4.1Å; L433-I459 HydrophobicContact CG-CG2 4.05Å; I459-L461 HydrophobicContact CD1-CD1 4.02Å; I459-L461 HydrophobicContact CD1-CD2 4.39Å; I459-L461 HydrophobicContact CD1-CG 4.09Å; I459-N469 CarbonylContact O-C 3.58Å; I459-N469 VanDerWaalsContact O-CA 3.25Å; I459-N469 WeakPolarHBondContact O-CA 3.36Å; I459-R470 HydrophobicContact CD1-CB 4.22Å; I459-R470 HydrophobicContact CG1-CB 3.83Å; I459-R470 VanDerWaalsContact CG1-O 3.31Å; I459-R470 WeakPolarHBondContact CG1-O 3.39Å; I459-R470 PolarHBondContact N-O 3.13Å; I459-R470 PolarHBondContact O-N 3.12Å; I459-N472 VanDerWaalsContact CD1-ND2 3.3Å; I459-N472 WeakPolarHBondContact CD1-ND2 3.19Å; I459-N472 HydrophobicContact CG2-CB 4.44Å
460V97.4Very high95Very high26 Ų2654.3 Ų54.316%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-118.3124.8178.1-169.90000109.8V416 A429 R430 A467 M468V416-V460 HydrophobicContact CB-CG1 4.26Å; V416-V460 HydrophobicContact CG2-CG1 3.64Å; A429-V460 HydrophobicContact CB-CB 3.84Å; A429-V460 HydrophobicContact CB-CG1 4.48Å; A429-V460 HydrophobicContact CB-CG2 3.89Å; R430-V460 PolarHBondContact O-N 3.4Å; V460-A467 HydrophobicContact CG1-CB 4.15Å; V460-M468 WeakPolarHBondContact CA-O 3.38Å
461L95.2Very high95.1Very high32 Ų3252.4 Ų52.417%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-123.7144.3176.6-60.9176.5000110.3E414 T431 I459 A467 M468 R470E414-L461 HydrophobicContact CB-CD2 4.29Å; E414-L461 CarbonylContact O-C 3.55Å; T431-L461 HydrophobicContact CG2-CD2 4.06Å; I459-L461 HydrophobicContact CD1-CD1 4.02Å; I459-L461 HydrophobicContact CD1-CD2 4.39Å; I459-L461 HydrophobicContact CD1-CG 4.09Å; L461-A467 WeakPolarHBondContact O-CA 3.44Å; L461-M468 PolarHBondContact N-O 2.96Å; L461-M468 PolarHBondContact O-N 2.9Å; L461-R470 HydrophobicContact CD1-CG 4.29Å
462K93.5Very high95.1Very high83 Ų8351.9 Ų51.936%0.36130%0.299SS..EExtended strand (participates in β ladder)trans-100.3114.5176.8-177.1-175.170.6-152.20109.7S413 E414 V416 V466S413-K462 WeakPolarHBondContact O-CE 3.37Å; S413-K462 PolarHBondContact O-NZ 2.96Å; S413-K462 VanDerWaalsContact O-NZ 3.13Å; E414-K462 WeakPolarHBondContact O-CB 3.48Å; E414-K462 PolarHBondContact O-N 3.28Å; V416-K462 HydrophobicContact CG2-CB 4.22Å; K462-V466 CarbonylContact C-O 3.48Å; K462-V466 WeakPolarHBondContact CA-O 3.4Å
463K87.6Confident95.1Very high164 Ų16448.9 Ų48.971%0.71329%0.286SS*.EExtended strand (participates in β ladder)trans-124124.2176.4-166.5173.8-176.2174.90110G465 V466K463-G465 PolarHBondContact O-N 3.41Å; K463-V466 PolarHBondContact N-O 2.88Å; K463-V466 PolarHBondContact O-N 2.88Å; K463-V466 VanDerWaalsContact O-N 3.09Å
464G85.2Confident95.1Very high83 Ų8348.1 Ų48.186%0.85628%0.282SS*.THydrogen-bonded Turntrans60.230.218000000114.4V466G464-V466 VanDerWaalsContact C-N 3.29Å; G464-V466 PolarHBondContact O-N 3.48Å
465G85.9Confident95.1Very high69 Ų6948.1 Ų48.171%0.71128%0.282SS*.THydrogen-bonded Turntrans82.5-2.6-177.500000115.1K463K463-G465 PolarHBondContact O-N 3.41Å
466V92.5Very high95.1Very high91 Ų9148 Ų4855%0.55228%0.282SS*.EExtended strand (participates in β ladder)trans-107134.7177.9-176.60000109.8K462 K463 G464K462-V466 CarbonylContact C-O 3.48Å; K462-V466 WeakPolarHBondContact CA-O 3.4Å; K463-V466 PolarHBondContact N-O 2.88Å; K463-V466 PolarHBondContact O-N 2.88Å; K463-V466 VanDerWaalsContact O-N 3.09Å; G464-V466 VanDerWaalsContact C-N 3.29Å; G464-V466 PolarHBondContact O-N 3.48Å
467A95.7Very high95.1Very high57 Ų5748.4 Ų48.447%0.47128%0.283SS..EExtended strand (participates in β ladder)trans-81.3133.8172.200000110.3V416 V460 L461V416-A467 HydrophobicContact CG2-CB 3.7Å; V460-A467 HydrophobicContact CG1-CB 4.15Å; L461-A467 WeakPolarHBondContact O-CA 3.44Å
468M95.4Very high95.1Very high108 Ų10846 Ų4653%0.53227%0.272SS..EExtended strand (participates in β ladder)trans-132.2137.4178.4-62.4-179.466.400109.7V460 L461V460-M468 WeakPolarHBondContact CA-O 3.38Å; L461-M468 PolarHBondContact N-O 2.96Å; L461-M468 PolarHBondContact O-N 2.9Å
469N96.2Very high95Very high90 Ų9044.2 Ų44.248%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-78.7141.9169.4-7210.9000109.5D458 I459D458-N469 HydrophobicContact CB-CB 4.2Å; D458-N469 PolarHBondContact OD2-ND2 3.02Å; I459-N469 CarbonylContact O-C 3.58Å; I459-N469 VanDerWaalsContact O-CA 3.25Å; I459-N469 WeakPolarHBondContact O-CA 3.36Å
470R94.8Very high94.7Very high60 Ų6051.8 Ų51.823%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-126.2130167.8-54.4-161.271.4-172.77.2111.5D458 I459 L461 N472 S561 E563 D564D458-R470 CarbonylContact C-O 3.51Å; D458-R470 VanDerWaalsContact CA-O 3.27Å; D458-R470 WeakPolarHBondContact CA-O 3.29Å; I459-R470 HydrophobicContact CD1-CB 4.22Å; I459-R470 HydrophobicContact CG1-CB 3.83Å; I459-R470 VanDerWaalsContact CG1-O 3.31Å; I459-R470 WeakPolarHBondContact CG1-O 3.39Å; I459-R470 PolarHBondContact N-O 3.13Å; I459-R470 PolarHBondContact O-N 3.12Å; L461-R470 HydrophobicContact CD1-CG 4.29Å; R470-N472 PolarHBondContact O-N 3.08Å; R470-S561 VanDerWaalsContact CZ-OG 3.31Å; R470-S561 PolarHBondContact NH2-OG 2.88Å; R470-S561 VanDerWaalsContact NH2-OG 3.11Å; R470-E563 VanDerWaalsContact CA-OE1 3.25Å; R470-E563 WeakPolarHBondContact CA-OE1 3.44Å; R470-E563 WeakPolarHBondContact CA-OE2 3.25Å; R470-E563 WeakPolarHBondContact CB-OE2 3.46Å; R470-E563 WeakPolarHBondContact CG-OE2 3.45Å; R470-E563 IonicContact CZ-OE2 3.42Å; R470-E563 IonicContact NE-OE2 3.79Å; R470-E563 PolarHBondContact NE-OE2 2.91Å; R470-E563 IonicContact NH2-OE2 3.86Å; R470-D564 IonicContact CZ-OD1 2.78Å; R470-D564 IonicContact CZ-OD2 3.9Å; R470-D564 VanDerWaalsContact CZ-OD2 3.24Å; R470-D564 IonicContact NH1-OD1 2.76Å; R470-D564 PolarHBondContact NH1-OD1 3.08Å; R470-D564 IonicContact NH1-OD2 3.86Å; R470-D564 PolarHBondContact NH1-OD2 3.44Å; R470-D564 IonicContact NH2-OD1 3.56Å; R470-D564 PolarHBondContact NH2-OD1 3.32Å; R470-D564 IonicContact NH2-OD2 3.04Å; R470-D564 PolarHBondContact NH2-OD2 2.82Å
471R97Very high94.5Very high34 Ų3455.3 Ų55.313%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-77.5113.7175.2-174.961.450.3116.11.6110.3M372 I456 D458 F562 E563M372-R471 HydrophobicContact CG-CB 4.17Å; M372-R471 HydrophobicContact CG-CG 4.29Å; M372-R471 HydrophobicContact SD-CB 3.87Å; M372-R471 HydrophobicContact SD-CG 4.08Å; I456-R471 HydrophobicContact CG2-CG 4.37Å; D458-R471 IonicContact OD1-CZ 3.06Å; D458-R471 IonicContact OD1-NE 3.96Å; D458-R471 PolarHBondContact OD1-NE 3.48Å; D458-R471 IonicContact OD1-NH2 3.79Å; D458-R471 PolarHBondContact OD1-NH2 3.08Å; D458-R471 IonicContact OD2-NH2 3.25Å; D458-R471 PolarHBondContact OD2-NH2 3.5Å; R471-F562 HydrophobicContact CB-CB 4.18Å; R471-F562 HydrophobicContact CG-CB 4.16Å; R471-F562 HydrophobicContact CG-CD2 4.18Å; R471-F562 HydrophobicContact CG-CG 4.14Å; R471-F562 WeakPolarHBondContact O-CB 3.02Å; R471-F562 PolarHBondContact O-N 2.81Å; R471-E563 PolarHBondContact N-OE1 3.17Å; R471-E563 VanDerWaalsContact N-OE1 3.16Å
472N97.3Very high94.1Very high13 Ų1355.2 Ų55.27%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-111.8155.8174.6-77.318.5000111.2L433 I456 Q457 I459 R470 E559 L560L433-N472 HydrophobicContact CD1-CB 3.82Å; L433-N472 VanDerWaalsContact CD1-O 3.31Å; L433-N472 WeakPolarHBondContact CD1-O 3.34Å; L433-N472 HydrophobicContact CG-CB 4.22Å; I456-N472 CarbonylContact C-O 3.57Å; I456-N472 VanDerWaalsContact CA-O 3.27Å; I456-N472 WeakPolarHBondContact CA-O 3.28Å; I456-N472 WeakPolarHBondContact CG2-O 3.31Å; Q457-N472 PolarHBondContact N-O 2.94Å; Q457-N472 PolarHBondContact O-N 3.4Å; I459-N472 VanDerWaalsContact CD1-ND2 3.3Å; I459-N472 WeakPolarHBondContact CD1-ND2 3.19Å; I459-N472 HydrophobicContact CG2-CB 4.44Å; R470-N472 PolarHBondContact O-N 3.08Å; N472-E559 PolarHBondContact ND2-OE1 2.89Å; N472-E559 VanDerWaalsContact ND2-OE1 3.13Å; N472-L560 CarbonylContact C-O 3.46Å; N472-L560 VanDerWaalsContact CA-O 3.27Å; N472-L560 WeakPolarHBondContact CA-O 3.44Å
473F97.4Very high94Very high0 Ų051.3 Ų51.30%030%0.302CS..EExtended strand (participates in β ladder)trans-114134.2163152.2-114.3000107.8I383 F454 E455 I456 A475 L490 L494 L558 E559 L560 F562I383-F473 HydrophobicContact CD1-CD2 3.56Å; I383-F473 HydrophobicContact CD1-CE1 4.5Å; I383-F473 HydrophobicContact CD1-CE2 3.21Å; I383-F473 HydrophobicContact CD1-CG 4.33Å; I383-F473 HydrophobicContact CD1-CZ 3.74Å; I383-F473 HydrophobicContact CG1-CE2 4.1Å; I383-F473 HydrophobicContact CG1-CZ 4.3Å; I383-F473 HydrophobicContact CG2-CE2 4.43Å; F454-F473 HydrophobicContact CB-CE2 4.01Å; F454-F473 HydrophobicContact CD2-CD2 4.39Å; F454-F473 HydrophobicContact CD2-CE2 4.23Å; E455-F473 CarbonylContact O-C 3.41Å; E455-F473 WeakPolarHBondContact O-CA 3.29Å; I456-F473 HydrophobicContact CD1-CD2 4.46Å; I456-F473 HydrophobicContact CG1-CB 4.06Å; I456-F473 HydrophobicContact CG1-CD2 3.84Å; I456-F473 HydrophobicContact CG1-CG 4.37Å; I456-F473 HydrophobicContact CG2-CB 4.24Å; F473-A475 HydrophobicContact CE2-CB 3.68Å; F473-A475 HydrophobicContact CZ-CB 3.52Å; F473-L490 HydrophobicContact CZ-CD2 3.96Å; F473-L494 HydrophobicContact CD1-CD1 4.38Å; F473-L494 HydrophobicContact CE1-CD1 3.61Å; F473-L494 HydrophobicContact CZ-CD1 3.91Å; F473-L558 HydrophobicContact CE1-CD2 3.65Å; F473-L558 HydrophobicContact CE1-CG 3.88Å; F473-L558 HydrophobicContact CZ-CD2 4.17Å; F473-E559 CarbonylContact O-C 3.43Å; F473-E559 WeakPolarHBondContact O-CA 3.47Å; F473-E559 WeakPolarHBondContact O-CG 3.49Å; F473-L560 HydrophobicContact CD1-CB 4.09Å; F473-L560 HydrophobicContact CD1-CD1 3.97Å; F473-L560 HydrophobicContact CD1-CG 4.07Å; F473-L560 HydrophobicContact CE1-CD1 4.24Å; F473-L560 PolarHBondContact N-O 3.37Å; F473-L560 PolarHBondContact O-N 2.88Å; F473-F562 HydrophobicContact CB-CD1 4.25Å; F473-F562 HydrophobicContact CB-CE1 3.49Å; F473-F562 VanDerWaalsContact CB-CE1 3.49Å; F473-F562 HydrophobicContact CB-CZ 4.29Å
474C98.4Very high94.4Very high0 Ų045.2 Ų45.20%028%0.276CS..EExtended strand (participates in β ladder)trans-133.3134.2169.6-1750000110.5L433 I437 F454 E455 L558 E559L433-C474 HydrophobicContact CB-CB 3.54Å; L433-C474 HydrophobicContact CD1-CB 4.01Å; L433-C474 HydrophobicContact CG-CB 4.39Å; I437-C474 HydrophobicContact CD1-CB 3.85Å; I437-C474 WeakPolarHBondContact CD1-O 3.21Å; F454-C474 CarbonylContact C-O 3.43Å; F454-C474 WeakPolarHBondContact CA-O 3.41Å; F454-C474 WeakPolarHBondContact CB-O 3.46Å; E455-C474 PolarHBondContact N-O 3.47Å; E455-C474 PolarHBondContact O-N 2.86Å; C474-L558 CarbonylContact C-O 3.54Å; C474-L558 WeakPolarHBondContact CA-O 3.34Å; C474-E559 HydrophobicContact CB-CB 4.24Å; C474-E559 HydrophobicContact CB-CG 4.05Å
475A98.4Very high94.9Very high0 Ų046.9 Ų46.90%026%0.261CS..EExtended strand (participates in β ladder)trans-122.9144.7171.900000110.4F388 L453 F454 F473 I487 L490 S557 L558F388-A475 HydrophobicContact CD1-CB 4.08Å; F388-A475 HydrophobicContact CE1-CB 3.89Å; L453-A475 CarbonylContact O-C 3.58Å; L453-A475 WeakPolarHBondContact O-CA 3.46Å; F454-A475 HydrophobicContact CB-CB 3.98Å; F473-A475 HydrophobicContact CE2-CB 3.68Å; F473-A475 HydrophobicContact CZ-CB 3.52Å; A475-I487 HydrophobicContact CB-CD1 4.29Å; A475-L490 HydrophobicContact CB-CD2 3.65Å; A475-S557 CarbonylContact O-C 3.53Å; A475-S557 WeakPolarHBondContact O-CA 3.44Å; A475-L558 PolarHBondContact N-O 2.93Å; A475-L558 PolarHBondContact O-N 3.12Å
476V98.1Very high95.4Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-132.9130.6177.4-179.90000109.9L434 I437 L438 I441 K452 L453 C555 A556L434-V476 HydrophobicContact CD1-CG2 3.65Å; I437-V476 HydrophobicContact CB-CG2 4.09Å; I437-V476 HydrophobicContact CD1-CG2 4.29Å; I437-V476 HydrophobicContact CG2-CB 3.79Å; I437-V476 HydrophobicContact CG2-CG2 3.59Å; L438-V476 HydrophobicContact CD2-CG1 4.5Å; I441-V476 HydrophobicContact CD1-CB 4.31Å; I441-V476 HydrophobicContact CD1-CG1 3.65Å; K452-V476 WeakPolarHBondContact CA-O 3.35Å; L453-V476 PolarHBondContact N-O 3.03Å; L453-V476 PolarHBondContact O-N 3.45Å; V476-C555 HydrophobicContact CG1-CB 4.3Å; V476-A556 CarbonylContact C-O 3.54Å; V476-A556 VanDerWaalsContact CA-O 3.31Å; V476-A556 WeakPolarHBondContact CA-O 3.49Å
477H97.8Very high95.6Very high7 Ų741.8 Ų41.83%0.03222%0.217CC..EExtended strand (participates in β ladder)trans-102.4121.6164.9175.5-77.1000109.2P450 I487 C555 A556P450-H477 WeakPolarHBondContact CB-NE2 3.47Å; H477-I487 HydrophobicContact CB-CD1 4.1Å; H477-I487 HydrophobicContact CB-CG1 3.91Å; H477-C555 WeakPolarHBondContact O-CA 3.35Å; H477-A556 PolarHBondContact N-O 2.88Å; H477-A556 PolarHBondContact O-N 3.34Å
478Y97.6Very high95.7Very high4 Ų441.6 Ų41.62%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-119.1120.2177.8178.8-112.7000111.1I441 L449 P450 L451 L551 N552 F553 V554 C555I441-Y478 HydrophobicContact CD1-CG 4.42Å; I441-Y478 HydrophobicContact CG2-CD1 3.39Å; I441-Y478 HydrophobicContact CG2-CD2 4.11Å; I441-Y478 HydrophobicContact CG2-CE1 3.57Å; I441-Y478 HydrophobicContact CG2-CE2 4.24Å; I441-Y478 HydrophobicContact CG2-CG 3.65Å; L449-Y478 HydrophobicContact CD2-CD1 3.54Å; L449-Y478 HydrophobicContact CD2-CE1 3.75Å; P450-Y478 CarbonylContact C-O 3.55Å; P450-Y478 VanDerWaalsContact CA-O 3.3Å; P450-Y478 WeakPolarHBondContact CA-O 3.49Å; L451-Y478 HydrophobicContact CD1-CD1 4.25Å; L451-Y478 PolarHBondContact N-O 2.84Å; L451-Y478 PolarHBondContact O-N 2.86Å; Y478-L551 HydrophobicContact CE2-CB 3.9Å; Y478-L551 HydrophobicContact CE2-CD1 4.34Å; Y478-N552 PolarHBondContact OH-N 2.74Å; Y478-N552 VanDerWaalsContact OH-N 3.12Å; Y478-F553 HydrophobicContact CD2-CB 4.21Å; Y478-F553 HydrophobicContact CE1-CB 4.38Å; Y478-F553 AromaticContact CE1-CD2 3.97Å; Y478-F553 HydrophobicContact CE1-CD2 3.97Å; Y478-F553 HydrophobicContact CE2-CB 3.6Å; Y478-F553 WeakPolarHBondContact CE2-O 3.16Å; Y478-F553 AromaticContact CZ-CD2 3.75Å; Y478-F553 WeakPolarHBondContact OH-CD2 3.22Å; Y478-F553 PolarHBondContact OH-N 3.05Å; Y478-V554 WeakPolarHBondContact CA-O 3.32Å; Y478-C555 WeakPolarHBondContact CD2-SG 3.47Å
479G95.5Very high95.8Very high1 Ų138 Ų381%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-172.9178.8-177.800000114.1V481 F553 V554G479-V481 CarbonylContact C-O 3.58Å; G479-V481 PolarHBondContact O-N 2.95Å; G479-F553 WeakPolarHBondContact O-CB 3.09Å; G479-V554 PolarHBondContact N-O 3.23Å; G479-V554 VanDerWaalsContact N-O 3.16Å; G479-V554 PolarHBondContact O-N 3.03Å
480K92.9Very high95.8Very high165 Ų16534 Ų3472%0.71718%0.175SC*.SBendtrans-64.3-23.4179.5-63-177.1-179.2179.50113.3L449 F553L449-K480 HydrophobicContact CD1-CG 4.27Å; K480-F553 HydrophobicContact CG-CD1 4.11Å; K480-F553 HydrophobicContact CG-CE1 3.96Å
481V92.5Very high95.9Very high101 Ų10131.1 Ų31.161%0.61217%0.165SC*.SBendtrans-107.6155.5174.2-63.90000109.2G479 G483G479-V481 CarbonylContact C-O 3.58Å; G479-V481 PolarHBondContact O-N 2.95Å; V481-G483 VanDerWaalsContact C-N 3.29Å; V481-G483 PolarHBondContact O-N 2.79Å
482S86.6Confident95.9Very high30 Ų3032 Ų3221%0.2117%0.171CC..  trans-51.8-45.5-177.153.90000113.1F484 A556S482-F484 PolarHBondContact O-N 2.85Å; S482-A556 VanDerWaalsContact O-CB 3.23Å; S482-A556 WeakPolarHBondContact O-CB 3.24Å
483G91.6Very high95.9Very high1 Ų134.8 Ų34.81%0.0118%0.184CC..  trans67.419.1-172.200000113.3V481 E485 V486 I487V481-G483 VanDerWaalsContact C-N 3.29Å; V481-G483 PolarHBondContact O-N 2.79Å; G483-E485 VanDerWaalsContact C-N 3.25Å; G483-E485 PolarHBondContact O-N 2.95Å; G483-V486 WeakPolarHBondContact O-CB 3.32Å; G483-V486 PolarHBondContact O-N 2.69Å; G483-V486 VanDerWaalsContact O-N 3.17Å; G483-I487 PolarHBondContact O-N 3.02Å
484F95.7Very high95.8Very high35 Ų3534.8 Ų34.815%0.15418%0.184CC..Hα-helixtrans-62.2-38.4177.1-177.9-106.8000110.9S482 V486 I487 H488 M538 I540S482-F484 PolarHBondContact O-N 2.85Å; F484-V486 VanDerWaalsContact C-N 3.3Å; F484-V486 PolarHBondContact O-N 3.26Å; F484-I487 PolarHBondContact O-N 2.7Å; F484-H488 VanDerWaalsContact O-CB 3.32Å; F484-H488 WeakPolarHBondContact O-CB 3.27Å; F484-H488 PolarHBondContact O-N 3.07Å; F484-M538 HydrophobicContact CE2-CE 4.41Å; F484-M538 HydrophobicContact CZ-CE 3.99Å; F484-I540 HydrophobicContact CB-CD1 4Å; F484-I540 HydrophobicContact CB-CG1 3.91Å; F484-I540 HydrophobicContact CD2-CG1 3.99Å; F484-I540 HydrophobicContact CG-CD1 4.44Å; F484-I540 HydrophobicContact CG-CG1 4.23Å
485E95.8Very high95.6Very high118 Ų11834.8 Ų34.855%0.55118%0.184SC*.Hα-helixtrans-67.6-32.4177-50.374.2-160.900111.5G483 G489G483-E485 VanDerWaalsContact C-N 3.25Å; G483-E485 PolarHBondContact O-N 2.95Å; E485-G489 PolarHBondContact O-N 3.27Å
486V96.4Very high95.4Very high54 Ų5438 Ų3833%0.32721%0.21SC..Hα-helixtrans-71-43.4177-179.70000110.6F388 G483 F484 G489 L490F388-V486 HydrophobicContact CE2-CG1 4.43Å; F388-V486 HydrophobicContact CZ-CG1 4.33Å; G483-V486 WeakPolarHBondContact O-CB 3.32Å; G483-V486 PolarHBondContact O-N 2.69Å; G483-V486 VanDerWaalsContact O-N 3.17Å; F484-V486 VanDerWaalsContact C-N 3.3Å; F484-V486 PolarHBondContact O-N 3.26Å; V486-G489 PolarHBondContact O-N 3.27Å; V486-L490 PolarHBondContact O-N 2.82Å
487I97.2Very high95.2Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-70.3-39.2178.7-71.1-71.8000111.2F388 A475 H477 G483 F484 L490 L491 M538 A556 L558F388-I487 HydrophobicContact CE1-CD1 4.01Å; F388-I487 HydrophobicContact CZ-CD1 3.97Å; A475-I487 HydrophobicContact CB-CD1 4.29Å; H477-I487 HydrophobicContact CB-CD1 4.1Å; H477-I487 HydrophobicContact CB-CG1 3.91Å; G483-I487 PolarHBondContact O-N 3.02Å; F484-I487 PolarHBondContact O-N 2.7Å; I487-L490 WeakPolarHBondContact O-CB 3.41Å; I487-L490 PolarHBondContact O-N 2.9Å; I487-L491 PolarHBondContact O-N 2.85Å; I487-M538 HydrophobicContact CG2-CB 4.29Å; I487-A556 HydrophobicContact CB-CB 4.32Å; I487-A556 HydrophobicContact CG1-CB 3.78Å; I487-L558 HydrophobicContact CG2-CB 3.39Å
488H97.2Very high94.9Very high52 Ų5241.3 Ų41.324%0.24123%0.227CC..Hα-helixtrans-62.3-45.2171.8-176.6-130.1000111.5F484 L490 L491 D492 M538F484-H488 VanDerWaalsContact O-CB 3.32Å; F484-H488 WeakPolarHBondContact O-CB 3.27Å; F484-H488 PolarHBondContact O-N 3.07Å; H488-L490 VanDerWaalsContact C-N 3.26Å; H488-L490 PolarHBondContact O-N 3.09Å; H488-L491 WeakPolarHBondContact O-CB 3.47Å; H488-L491 PolarHBondContact O-N 3.47Å; H488-D492 IonicContact CD2-OD1 3.54Å; H488-D492 IonicContact CE1-OD2 2.78Å; H488-D492 IonicContact ND1-OD2 2.75Å; H488-D492 IonicContact NE2-OD1 3.6Å; H488-D492 IonicContact NE2-OD2 2.97Å; H488-D492 PolarHBondContact O-N 2.88Å; H488-M538 HydrophobicContact CB-CE 4.42Å; H488-M538 HydrophobicContact CB-SD 4.2Å
489G97Very high94.6Very high34 Ų3446.3 Ų46.335%0.35126%0.263SS..Hα-helixtrans-61.7-32174.600000113.6E485 V486 H493E485-G489 PolarHBondContact O-N 3.27Å; V486-G489 PolarHBondContact O-N 3.27Å; G489-H493 WeakPolarHBondContact O-CB 3.34Å; G489-H493 PolarHBondContact O-N 3.07Å
490L97.3Very high94.5Very high5 Ų546.8 Ų46.83%0.02627%0.265CS..Hα-helixtrans-66.2-42.7172.3-178.964.1000111.4I383 F388 F473 A475 V486 I487 H488 H493 L494 L558I383-L490 HydrophobicContact CG1-CD1 4.4Å; F388-L490 HydrophobicContact CD1-CD2 4.39Å; F388-L490 HydrophobicContact CD2-CD2 4.23Å; F388-L490 HydrophobicContact CE1-CD2 4.04Å; F388-L490 HydrophobicContact CE2-CD1 4.4Å; F388-L490 HydrophobicContact CE2-CD2 3.85Å; F388-L490 HydrophobicContact CZ-CD2 3.75Å; F473-L490 HydrophobicContact CZ-CD2 3.96Å; A475-L490 HydrophobicContact CB-CD2 3.65Å; V486-L490 PolarHBondContact O-N 2.82Å; I487-L490 WeakPolarHBondContact O-CB 3.41Å; I487-L490 PolarHBondContact O-N 2.9Å; H488-L490 VanDerWaalsContact C-N 3.26Å; H488-L490 PolarHBondContact O-N 3.09Å; L490-H493 PolarHBondContact O-N 2.81Å; L490-L494 HydrophobicContact CD1-CD1 4.41Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 4.16Å; L490-L494 VanDerWaalsContact O-CG 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.26Å; L490-L494 PolarHBondContact O-N 2.81Å; L490-L558 HydrophobicContact CD2-CD2 4.48Å; L490-L558 HydrophobicContact CG-CD2 4.49Å
491L97.4Very high94.5Very high0 Ų042.4 Ų42.40%025%0.253CS..Hα-helixtrans-58.3-50.8173.8176.764.7000110.9I487 H488 H493 L494 M495 Y508 I510 I526 M538 L558 L560I487-L491 PolarHBondContact O-N 2.85Å; H488-L491 WeakPolarHBondContact O-CB 3.47Å; H488-L491 PolarHBondContact O-N 3.47Å; L491-H493 VanDerWaalsContact C-N 3.29Å; L491-H493 PolarHBondContact O-N 2.98Å; L491-L494 PolarHBondContact O-N 2.87Å; L491-L494 VanDerWaalsContact O-N 3.15Å; L491-M495 HydrophobicContact CD1-CE 3.49Å; L491-M495 VanDerWaalsContact CD1-CE 3.49Å; L491-M495 HydrophobicContact CD1-CG 4.18Å; L491-M495 HydrophobicContact CG-CG 4.47Å; L491-M495 WeakPolarHBondContact O-CG 3.34Å; L491-M495 PolarHBondContact O-N 3.07Å; L491-Y508 HydrophobicContact CD2-CE2 4.38Å; L491-Y508 HydrophobicContact CG-CE2 4.4Å; L491-I510 HydrophobicContact CD2-CG2 4.01Å; L491-I526 HydrophobicContact CD1-CD1 4.05Å; L491-I526 HydrophobicContact CD1-CG2 4.21Å; L491-I526 HydrophobicContact CD2-CD1 3.75Å; L491-I526 HydrophobicContact CD2-CG1 3.82Å; L491-I526 HydrophobicContact CD2-CG2 4.23Å; L491-M538 HydrophobicContact CD2-SD 3.99Å; L491-L558 HydrophobicContact CB-CD2 3.96Å; L491-L558 HydrophobicContact CD1-CD1 4.15Å; L491-L558 HydrophobicContact CD1-CD2 4.43Å; L491-L560 HydrophobicContact CD1-CD1 4.1Å; L491-L560 HydrophobicContact CD1-CD2 4.34Å
492D96.7Very high94.6Very high51 Ų5143.5 Ų43.527%0.27326%0.255SS..Hα-helixtrans-58.6-42.2179.9-66.3-14.6000111.5H488 M495 A496 Y508H488-D492 IonicContact CD2-OD1 3.54Å; H488-D492 IonicContact CE1-OD2 2.78Å; H488-D492 IonicContact ND1-OD2 2.75Å; H488-D492 IonicContact NE2-OD1 3.6Å; H488-D492 IonicContact NE2-OD2 2.97Å; H488-D492 PolarHBondContact O-N 2.88Å; D492-M495 PolarHBondContact O-N 2.92Å; D492-A496 VanDerWaalsContact O-CB 3.32Å; D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 2.93Å; D492-Y508 VanDerWaalsContact CG-OH 3.23Å; D492-Y508 PolarHBondContact OD1-OH 3.04Å
493H96.4Very high94.9Very high73 Ų7345.4 Ų45.434%0.33826%0.263SS..Hα-helixtrans-62.9-43.6176.7-179.958.2000112.3E382 S386 G489 L490 L491 A496 M497E382-H493 IonicContact OE2-NE2 3.49Å; S386-H493 PolarHBondContact OG-CD2 3.46Å; G489-H493 WeakPolarHBondContact O-CB 3.34Å; G489-H493 PolarHBondContact O-N 3.07Å; L490-H493 PolarHBondContact O-N 2.81Å; L491-H493 VanDerWaalsContact C-N 3.29Å; L491-H493 PolarHBondContact O-N 2.98Å; H493-A496 PolarHBondContact O-N 2.94Å; H493-M497 PolarHBondContact O-N 3.21Å
494L95.4Very high94.7Very high0 Ų052.2 Ų52.20%030%0.295CS..Hα-helixtrans-65.9-40.8177.6-69.3171.9000111.9F379 E382 I383 F473 L490 L491 M497 L498F379-L494 HydrophobicContact CD1-CD1 4.13Å; F379-L494 HydrophobicContact CD1-CD2 3.84Å; F379-L494 HydrophobicContact CE1-CB 4.27Å; F379-L494 HydrophobicContact CE1-CD1 3.94Å; F379-L494 HydrophobicContact CE1-CD2 4Å; F379-L494 HydrophobicContact CE1-CG 4.3Å; F379-L494 HydrophobicContact CG-CD2 4.34Å; E382-L494 HydrophobicContact CB-CD2 4.38Å; I383-L494 HydrophobicContact CD1-CD1 4.48Å; I383-L494 HydrophobicContact CD1-CD2 4.43Å; I383-L494 HydrophobicContact CG1-CD1 4.28Å; I383-L494 HydrophobicContact CG1-CD2 3.87Å; F473-L494 HydrophobicContact CD1-CD1 4.38Å; F473-L494 HydrophobicContact CE1-CD1 3.61Å; F473-L494 HydrophobicContact CZ-CD1 3.91Å; L490-L494 HydrophobicContact CD1-CD1 4.41Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 4.16Å; L490-L494 VanDerWaalsContact O-CG 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.26Å; L490-L494 PolarHBondContact O-N 2.81Å; L491-L494 PolarHBondContact O-N 2.87Å; L491-L494 VanDerWaalsContact O-N 3.15Å; L494-M497 HydrophobicContact CD2-CE 4.35Å; L494-M497 PolarHBondContact O-N 3.39Å; L494-L498 WeakPolarHBondContact O-CG 3.47Å; L494-L498 PolarHBondContact O-N 2.76Å; L494-L498 VanDerWaalsContact O-N 3.12Å
495M94.6Very high94.3Very high0 Ų058.1 Ų58.10%032%0.32CS..Hα-helixtrans-66.8-40.2176.4-64.7-56.3159.300111.7L491 D492 M497 L498 S499 I500 Y508 L528 L560 M565L491-M495 HydrophobicContact CD1-CE 3.49Å; L491-M495 VanDerWaalsContact CD1-CE 3.49Å; L491-M495 HydrophobicContact CD1-CG 4.18Å; L491-M495 HydrophobicContact CG-CG 4.47Å; L491-M495 WeakPolarHBondContact O-CG 3.34Å; L491-M495 PolarHBondContact O-N 3.07Å; D492-M495 PolarHBondContact O-N 2.92Å; M495-M497 VanDerWaalsContact C-N 3.34Å; M495-M497 PolarHBondContact O-N 3.24Å; M495-L498 CarbonylContact O-C 3.58Å; M495-L498 PolarHBondContact O-N 2.78Å; M495-S499 PolarHBondContact O-N 2.89Å; M495-S499 VanDerWaalsContact O-N 3.12Å; M495-I500 HydrophobicContact CB-CB 4.35Å; M495-I500 PolarHBondContact O-N 2.82Å; M495-I500 HydrophobicContact SD-CB 4.48Å; M495-I500 HydrophobicContact SD-CD1 4.05Å; M495-Y508 HydrophobicContact CB-CD1 3.62Å; M495-Y508 HydrophobicContact CB-CE1 3.54Å; M495-Y508 HydrophobicContact CB-CG 4.22Å; M495-Y508 HydrophobicContact CG-CD1 3.71Å; M495-Y508 HydrophobicContact CG-CD2 4.01Å; M495-Y508 HydrophobicContact CG-CE1 3.93Å; M495-Y508 HydrophobicContact CG-CE2 4.18Å; M495-Y508 HydrophobicContact CG-CG 3.77Å; M495-Y508 HydrophobicContact SD-CG 4.47Å; M495-L528 HydrophobicContact CE-CD2 4.25Å; M495-L528 HydrophobicContact SD-CD2 3.84Å; M495-L560 HydrophobicContact CE-CD1 4.06Å; M495-M565 HydrophobicContact CE-CE 3.95Å; M495-M565 HydrophobicContact SD-CE 4.42Å
496A93.9Very high93.9Very high66 Ų6657.5 Ų57.555%0.54532%0.32SS..Hα-helixtrans-61.4-41.3173.700000112.2D492 H493 L498 S499D492-A496 VanDerWaalsContact O-CB 3.32Å; D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 2.93Å; H493-A496 PolarHBondContact O-N 2.94Å; A496-L498 VanDerWaalsContact C-N 3.28Å; A496-L498 PolarHBondContact O-N 2.93Å; A496-S499 WeakPolarHBondContact O-CA 3.45Å; A496-S499 PolarHBondContact O-N 3.34Å
497M92.9Very high93.7Very high50 Ų5054.9 Ų54.925%0.24631%0.305CS..Hα-helixtrans-60.2-39.2174.7176.8-88.7-6200111.9T378 F379 E382 H493 L494 M495 S499T378-M497 HydrophobicContact CG2-CE 4.11Å; T378-M497 HydrophobicContact CG2-SD 3.71Å; F379-M497 HydrophobicContact CD2-CE 3.69Å; F379-M497 HydrophobicContact CE2-CE 3.67Å; F379-M497 HydrophobicContact CG-CE 4.4Å; F379-M497 HydrophobicContact CZ-CE 4.37Å; E382-M497 HydrophobicContact CG-CE 4.24Å; E382-M497 HydrophobicContact CG-CG 3.96Å; H493-M497 PolarHBondContact O-N 3.21Å; L494-M497 HydrophobicContact CD2-CE 4.35Å; L494-M497 PolarHBondContact O-N 3.39Å; M495-M497 VanDerWaalsContact C-N 3.34Å; M495-M497 PolarHBondContact O-N 3.24Å; M497-S499 PolarHBondContact O-N 2.98Å
498L91.7Very high93.6Very high28 Ų2855.6 Ų55.615%0.14731%0.308CS..THydrogen-bonded Turntrans-77.61.9174.4-60.6179.5000114.1L375 F379 L494 M495 A496 I500 M565 L572L375-L498 HydrophobicContact CD1-CD2 3.91Å; F379-L498 HydrophobicContact CE2-CD1 3.82Å; F379-L498 HydrophobicContact CE2-CD2 3.86Å; F379-L498 HydrophobicContact CE2-CG 4.13Å; F379-L498 HydrophobicContact CZ-CD1 3.72Å; F379-L498 HydrophobicContact CZ-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CG 3.47Å; L494-L498 PolarHBondContact O-N 2.76Å; L494-L498 VanDerWaalsContact O-N 3.12Å; M495-L498 CarbonylContact O-C 3.58Å; M495-L498 PolarHBondContact O-N 2.78Å; A496-L498 VanDerWaalsContact C-N 3.28Å; A496-L498 PolarHBondContact O-N 2.93Å; L498-I500 VanDerWaalsContact C-N 3.25Å; L498-I500 HydrophobicContact CB-CD1 3.8Å; L498-I500 HydrophobicContact CB-CG1 3.87Å; L498-I500 HydrophobicContact CD1-CD1 4.05Å; L498-I500 PolarHBondContact O-N 3.22Å; L498-M565 HydrophobicContact CD1-CE 3.37Å; L498-L572 HydrophobicContact CB-CD2 4.31Å; L498-L572 HydrophobicContact CD1-CD1 4.32Å; L498-L572 HydrophobicContact CD1-CD2 4.15Å; L498-L572 HydrophobicContact CD2-CD2 3.66Å; L498-L572 HydrophobicContact CG-CD2 4.25Å
499S92.1Very high93.6Very high109 Ų10955 Ų5576%0.76231%0.305SS*.THydrogen-bonded Turntrans58.335.2-175.4-53.60000113.3M495 A496 M497M495-S499 PolarHBondContact O-N 2.89Å; M495-S499 VanDerWaalsContact O-N 3.12Å; A496-S499 WeakPolarHBondContact O-CA 3.45Å; A496-S499 PolarHBondContact O-N 3.34Å; M497-S499 PolarHBondContact O-N 2.98Å
500I93Very high93.5Very high11 Ų1156.3 Ų56.36%0.05630%0.303CS..  trans-100.7114177.4-57.3175.6000108.4M495 L498 Y508 L528 V569M495-I500 HydrophobicContact CB-CB 4.35Å; M495-I500 PolarHBondContact O-N 2.82Å; M495-I500 HydrophobicContact SD-CB 4.48Å; M495-I500 HydrophobicContact SD-CD1 4.05Å; L498-I500 VanDerWaalsContact C-N 3.25Å; L498-I500 HydrophobicContact CB-CD1 3.8Å; L498-I500 HydrophobicContact CB-CG1 3.87Å; L498-I500 HydrophobicContact CD1-CD1 4.05Å; L498-I500 PolarHBondContact O-N 3.22Å; I500-Y508 HydrophobicContact CG2-CD1 4.16Å; I500-L528 HydrophobicContact CD1-CD2 4.18Å; I500-L528 HydrophobicContact CG2-CD2 4.04Å; I500-V569 HydrophobicContact CD1-CG2 4.04Å
501P93.4Very high93.5Very high72 Ų7259 Ų5947%0.46832%0.32SS..  trans-75.1162.7-178.631.4-35.3000112.3D503 G507 Y508P501-D503 PolarHBondContact O-N 3.35Å; P501-D503 VanDerWaalsContact O-N 3.16Å; P501-G507 CarbonylContact O-C 3.55Å; P501-G507 WeakPolarHBondContact O-CA 3.27Å; P501-Y508 VanDerWaalsContact O-CD1 3.25Å; P501-Y508 WeakPolarHBondContact O-CD1 3.45Å; P501-Y508 PolarHBondContact O-N 3.01Å
502L94.4Very high93.5Very high124 Ų12465.6 Ų65.665%0.64935%0.351SS*.BIsolated β-bridgetrans-76.896168.9-174.374.9000109.1Y508L502-Y508 HydrophobicContact CB-CE1 4.04Å; L502-Y508 HydrophobicContact CD1-CD2 4.22Å; L502-Y508 HydrophobicContact CD1-CE1 4.04Å; L502-Y508 HydrophobicContact CD1-CE2 3.72Å
503D92.6Very high93.4Very high71 Ų7165.8 Ų65.838%0.3835%0.351SS..  trans-157.4136.6-179.3-177.974.8000109.8P501 K505 N506 G507 Y508P501-D503 PolarHBondContact O-N 3.35Å; P501-D503 VanDerWaalsContact O-N 3.16Å; D503-K505 VanDerWaalsContact C-N 3.3Å; D503-K505 PolarHBondContact O-N 3.01Å; D503-K505 PolarHBondContact OD2-N 2.84Å; D503-N506 PolarHBondContact OD2-N 2.75Å; D503-G507 CarbonylContact O-C 3.59Å; D503-G507 VanDerWaalsContact O-CA 3.26Å; D503-G507 WeakPolarHBondContact O-CA 3.33Å; D503-G507 PolarHBondContact O-N 3.02Å; D503-Y508 PolarHBondContact N-O 3.32Å; D503-Y508 CarbonylContact O-C 3.5Å; D503-Y508 PolarHBondContact O-N 2.7Å
504E88Confident93.3Very high144 Ų14471 Ų7167%0.67338%0.376SS*.THydrogen-bonded Turntrans-63.3-34.9-176.4-72.7-175.7174.300113H509E504-H509 HydrophobicContact CG-CB 4Å; E504-H509 PolarHBondContact O-ND1 3.2Å
505K86.2Confident93.2Very high158 Ų15873.2 Ų73.269%0.68739%0.387SS*.THydrogen-bonded Turntrans-100.3-43.6-169.5-167.6177.7-178.4-179.60113.2D503 M529 G530D503-K505 VanDerWaalsContact C-N 3.3Å; D503-K505 PolarHBondContact O-N 3.01Å; D503-K505 PolarHBondContact OD2-N 2.84Å; K505-M529 CarbonylContact O-C 3.56Å; K505-M529 VanDerWaalsContact O-C 3.24Å; K505-G530 PolarHBondContact O-N 3.15Å
506N88.4Confident93.2Very high105 Ų10581.4 Ų81.456%0.56142%0.419SS*.THydrogen-bonded Turntrans-114.113.4-172.7-58.4-45000112.9D503 M529D503-N506 PolarHBondContact OD2-N 2.75Å; N506-M529 VanDerWaalsContact C-SD 3.58Å
507G92.3Very high93.3Very high0 Ų078.4 Ų78.40%039%0.393CS..SBendtrans-146.8-145.8-172.300000112.5P501 D503 L528 M529P501-G507 CarbonylContact O-C 3.55Å; P501-G507 WeakPolarHBondContact O-CA 3.27Å; D503-G507 CarbonylContact O-C 3.59Å; D503-G507 VanDerWaalsContact O-CA 3.26Å; D503-G507 WeakPolarHBondContact O-CA 3.33Å; D503-G507 PolarHBondContact O-N 3.02Å; G507-L528 CarbonylContact O-C 3.49Å; G507-M529 PolarHBondContact O-N 2.89Å
508Y95.7Very high93.4Very high14 Ų1476.3 Ų76.36%0.05538%0.383CS..EExtended strand (participates in β ladder)trans-111.1151167.279.6-75.8000110.8L491 D492 M495 I500 P501 L502 D503 F527L491-Y508 HydrophobicContact CD2-CE2 4.38Å; L491-Y508 HydrophobicContact CG-CE2 4.4Å; D492-Y508 VanDerWaalsContact CG-OH 3.23Å; D492-Y508 PolarHBondContact OD1-OH 3.04Å; M495-Y508 HydrophobicContact CB-CD1 3.62Å; M495-Y508 HydrophobicContact CB-CE1 3.54Å; M495-Y508 HydrophobicContact CB-CG 4.22Å; M495-Y508 HydrophobicContact CG-CD1 3.71Å; M495-Y508 HydrophobicContact CG-CD2 4.01Å; M495-Y508 HydrophobicContact CG-CE1 3.93Å; M495-Y508 HydrophobicContact CG-CE2 4.18Å; M495-Y508 HydrophobicContact CG-CG 3.77Å; M495-Y508 HydrophobicContact SD-CG 4.47Å; I500-Y508 HydrophobicContact CG2-CD1 4.16Å; P501-Y508 VanDerWaalsContact O-CD1 3.25Å; P501-Y508 WeakPolarHBondContact O-CD1 3.45Å; P501-Y508 PolarHBondContact O-N 3.01Å; L502-Y508 HydrophobicContact CB-CE1 4.04Å; L502-Y508 HydrophobicContact CD1-CD2 4.22Å; L502-Y508 HydrophobicContact CD1-CE1 4.04Å; L502-Y508 HydrophobicContact CD1-CE2 3.72Å; D503-Y508 PolarHBondContact N-O 3.32Å; D503-Y508 CarbonylContact O-C 3.5Å; D503-Y508 PolarHBondContact O-N 2.7Å; Y508-F527 VanDerWaalsContact CA-O 3.23Å; Y508-F527 WeakPolarHBondContact CA-O 3.46Å; Y508-F527 WeakPolarHBondContact CB-O 3.37Å
509H95.8Very high93.6Very high39 Ų3979.6 Ų79.618%0.18140%0.396CS..EExtended strand (participates in β ladder)trans-141.8163.5166.771.9-83.2000110.1E504 T511 F527E504-H509 HydrophobicContact CG-CB 4Å; E504-H509 PolarHBondContact O-ND1 3.2Å; H509-T511 PolarHBondContact CD2-OG1 3.13Å; H509-T511 PolarHBondContact NE2-OG1 3.01Å; H509-F527 WeakPolarHBondContact CE1-CB 3.36Å; H509-F527 AromaticContact CE1-CG 3.84Å; H509-F527 PolarHBondContact N-O 3.44Å; H509-F527 VanDerWaalsContact N-O 3.16Å; H509-F527 AromaticContact NE2-CD2 3.65Å; H509-F527 AromaticContact NE2-CG 3.82Å; H509-F527 PolarHBondContact O-N 3.06Å
510I96.4Very high93.8Very high63 Ų6378.2 Ų78.232%0.32339%0.385SS..EExtended strand (participates in β ladder)trans-120.7136.9178.452.6167000109.8L491 A524 A525 I526 M538L491-I510 HydrophobicContact CD2-CG2 4.01Å; I510-A524 HydrophobicContact CB-CB 4.27Å; I510-A525 VanDerWaalsContact CA-O 3.32Å; I510-A525 WeakPolarHBondContact CA-O 3.31Å; I510-I526 HydrophobicContact CG2-CG1 4.05Å; I510-M538 HydrophobicContact CB-CE 4.4Å; I510-M538 HydrophobicContact CD1-CE 3.57Å; I510-M538 HydrophobicContact CG2-CE 4.06Å
511T95.8Very high93.8Very high62 Ų6279.7 Ų79.738%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-127132.6-179.4-52.70000109H509 I513 A524 A525H509-T511 PolarHBondContact CD2-OG1 3.13Å; H509-T511 PolarHBondContact NE2-OG1 3.01Å; T511-I513 PolarHBondContact O-N 2.89Å; T511-A524 CarbonylContact O-C 3.59Å; T511-A524 VanDerWaalsContact O-CA 3.24Å; T511-A524 WeakPolarHBondContact O-CA 3.3Å; T511-A525 PolarHBondContact N-O 2.99Å; T511-A525 PolarHBondContact O-N 2.85Å
512E97Very high93.9Very high138 Ų13882.1 Ų82.165%0.64540%0.402SS*.EExtended strand (participates in β ladder)trans-61.1133176.6-172177.517000110.5G521E512-G521 WeakPolarHBondContact OE1-CA 3.46Å
513I96.2Very high94Very high54 Ų5476.5 Ų76.528%0.27737%0.373SS..  trans-135.5160.617758.8157.9000110.3T511 C523 A525T511-I513 PolarHBondContact O-N 2.89Å; I513-C523 HydrophobicContact CG1-CB 4.48Å; I513-C523 PolarHBondContact N-O 2.85Å; I513-A525 HydrophobicContact CD1-CB 3.91Å; I513-A525 HydrophobicContact CG1-CB 4.13Å; I513-A525 HydrophobicContact CG2-CB 3.68Å
514E93.7Very high94.3Very high182 Ų18273.5 Ų73.585%0.8536%0.359SS*.  trans-100.6123.5167.4-67.5-161167.600110.8
515D93.7Very high94.7Very high47 Ų4766.9 Ų66.925%0.25133%0.328SS..  trans-135132.6169.3179.6-28.5000108A517 F518 Q537D515-A517 PolarHBondContact O-N 2.94Å; D515-A517 WeakPolarHBondContact OD1-CB 3.41Å; D515-A517 PolarHBondContact OD1-N 2.86Å; D515-F518 HydrophobicContact CB-CD2 3.81Å; D515-F518 PolarHBondContact O-N 2.75Å; D515-Q537 PolarHBondContact OD2-OE1 3.33Å
516R94.4Very high95.2Very high173 Ų17359.3 Ų59.365%0.65330%0.295SS*.THydrogen-bonded Turntrans-64.9-19.7-176.1-62.7-177.8177.2-167.7-1113.8N407N407-R516 HydrophobicContact CB-CB 3.95Å; N407-R516 PolarHBondContact ND2-O 3.17Å; N407-R516 WeakPolarHBondContact O-CB 3.25Å; N407-R516 WeakPolarHBondContact O-CD 3.5Å
517A94.9Very high95.6Very high2 Ų255.8 Ų55.82%0.01728%0.275CS..THydrogen-bonded Turntrans-73.6-16.9173.800000112.4L406 D515 H542 V545L406-A517 WeakPolarHBondContact O-CA 3.22Å; L406-A517 WeakPolarHBondContact O-CB 3.08Å; D515-A517 PolarHBondContact O-N 2.94Å; D515-A517 WeakPolarHBondContact OD1-CB 3.41Å; D515-A517 PolarHBondContact OD1-N 2.86Å; A517-H542 PolarHBondContact O-N 2.99Å; A517-V545 HydrophobicContact CB-CG2 4.49Å
518F96.8Very high95.6Very high7 Ų755.8 Ų55.83%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-117159.7-173-63.4-89.4000112.5D515 C523 Q537 G539 I540 L541 S557D515-F518 HydrophobicContact CB-CD2 3.81Å; D515-F518 PolarHBondContact O-N 2.75Å; F518-C523 HydrophobicContact CB-CB 3.69Å; F518-C523 HydrophobicContact CG-CB 4.13Å; F518-Q537 HydrophobicContact CE2-CG 4.44Å; F518-Q537 HydrophobicContact CZ-CG 4.4Å; F518-G539 VanDerWaalsContact CD1-CA 3.5Å; F518-I540 CarbonylContact C-O 3.53Å; F518-I540 VanDerWaalsContact CA-O 3.26Å; F518-I540 WeakPolarHBondContact CA-O 3.44Å; F518-I540 WeakPolarHBondContact CB-O 3.44Å; F518-I540 WeakPolarHBondContact CD1-O 3.38Å; F518-L541 HydrophobicContact CD1-CD2 3.95Å; F518-L541 HydrophobicContact CE1-CD2 3.67Å; F518-L541 HydrophobicContact CZ-CD2 4.2Å; F518-S557 VanDerWaalsContact CE1-OG 3.31Å; F518-S557 WeakPolarHBondContact CE1-OG 3.39Å
519F95.7Very high95.3Very high97 Ų9759 Ų5943%0.42529%0.291SS..EExtended strand (participates in β ladder)trans-73132.2176.8-170.5-99.6000110.3G521 R522 I540 P543F519-G521 PolarHBondContact O-N 3.05Å; F519-R522 HydrophobicContact CB-CB 4.4Å; F519-R522 HydrophobicContact CD1-CB 4.32Å; F519-R522 HydrophobicContact CD1-CG 3.96Å; F519-R522 PolarHBondContact O-N 3.26Å; F519-I540 HydrophobicContact CB-CB 4.44Å; F519-I540 HydrophobicContact CB-CG2 4.47Å; F519-I540 PolarHBondContact N-O 3.32Å; F519-P543 HydrophobicContact CD2-CG 4.42Å
520P95.1Very high94.7Very high80 Ų8059.1 Ų59.152%0.51930%0.304SS..EExtended strand (participates in β ladder)trans-54137-179.6-27.334.9000112.8R522P520-R522 PolarHBondContact O-N 3.08Å
521G94.3Very high94.2Very high41 Ų4157.8 Ų57.842%0.42330%0.302SS..EExtended strand (participates in β ladder)trans72.46.1-177.200000115.4E512 F519E512-G521 WeakPolarHBondContact OE1-CA 3.46Å; F519-G521 PolarHBondContact O-N 3.05Å
522R95.3Very high93.8Very high123 Ų12360.9 Ų60.946%0.46432%0.321SS..EExtended strand (participates in β ladder)trans-132.435-179.1-62-66.6-176.7165.80.2112F519 P520 G539 I540F519-R522 HydrophobicContact CB-CB 4.4Å; F519-R522 HydrophobicContact CD1-CB 4.32Å; F519-R522 HydrophobicContact CD1-CG 3.96Å; F519-R522 PolarHBondContact O-N 3.26Å; P520-R522 PolarHBondContact O-N 3.08Å; R522-G539 CarbonylContact O-C 3.59Å; R522-G539 WeakPolarHBondContact O-CA 3.1Å; R522-I540 HydrophobicContact CB-CB 4.13Å; R522-I540 HydrophobicContact CB-CD1 3.98Å; R522-I540 HydrophobicContact CB-CG1 4.13Å; R522-I540 HydrophobicContact CG-CD1 4.03Å; R522-I540 PolarHBondContact O-N 3.03Å
523C96.8Very high93.5Very high6 Ų659.9 Ų59.94%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-133.4137.6175.4-170.50000109.7I513 F518 M538I513-C523 HydrophobicContact CG1-CB 4.48Å; I513-C523 PolarHBondContact N-O 2.85Å; F518-C523 HydrophobicContact CB-CB 3.69Å; F518-C523 HydrophobicContact CG-CB 4.13Å; C523-M538 CarbonylContact C-O 3.5Å; C523-M538 WeakPolarHBondContact CA-O 3.13Å
524A97.5Very high93.4Very high9 Ų960.4 Ų60.47%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-139.1137.2178.700000111.2I510 T511 Q537 M538I510-A524 HydrophobicContact CB-CB 4.27Å; T511-A524 CarbonylContact O-C 3.59Å; T511-A524 VanDerWaalsContact O-CA 3.24Å; T511-A524 WeakPolarHBondContact O-CA 3.3Å; A524-Q537 CarbonylContact O-C 3.5Å; A524-Q537 WeakPolarHBondContact O-CA 3.48Å; A524-M538 HydrophobicContact CB-CE 3.94Å; A524-M538 HydrophobicContact CB-CG 4.29Å; A524-M538 PolarHBondContact N-O 2.78Å; A524-M538 PolarHBondContact O-N 2.86Å
525A97.4Very high93.5Very high4 Ų451.9 Ų51.93%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-85145.4169.200000110I510 T511 I513 F527 P534I510-A525 VanDerWaalsContact CA-O 3.32Å; I510-A525 WeakPolarHBondContact CA-O 3.31Å; T511-A525 PolarHBondContact N-O 2.99Å; T511-A525 PolarHBondContact O-N 2.85Å; I513-A525 HydrophobicContact CD1-CB 3.91Å; I513-A525 HydrophobicContact CG1-CB 4.13Å; I513-A525 HydrophobicContact CG2-CB 3.68Å; A525-F527 HydrophobicContact CB-CD2 4.44Å; A525-F527 HydrophobicContact CB-CE2 3.62Å; A525-F527 HydrophobicContact CB-CZ 4.07Å; A525-P534 HydrophobicContact CB-CB 3.96Å
526I97.2Very high93.6Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-110.7125.7-175.2-57.9157.2000108.1L491 I510 P534 V535 G536 M538 L558 L560L491-I526 HydrophobicContact CD1-CD1 4.05Å; L491-I526 HydrophobicContact CD1-CG2 4.21Å; L491-I526 HydrophobicContact CD2-CD1 3.75Å; L491-I526 HydrophobicContact CD2-CG1 3.82Å; L491-I526 HydrophobicContact CD2-CG2 4.23Å; I510-I526 HydrophobicContact CG2-CG1 4.05Å; I526-P534 CarbonylContact O-C 3.59Å; I526-P534 VanDerWaalsContact O-CA 3.24Å; I526-P534 WeakPolarHBondContact O-CA 3.45Å; I526-V535 HydrophobicContact CB-CG2 4.32Å; I526-V535 HydrophobicContact CG2-CG2 3.93Å; I526-V535 WeakPolarHBondContact O-CG2 3.43Å; I526-V535 PolarHBondContact O-N 2.89Å; I526-G536 PolarHBondContact N-O 3.15Å; I526-M538 HydrophobicContact CD1-CB 4.34Å; I526-M538 HydrophobicContact CD1-CG 4.34Å; I526-L558 HydrophobicContact CD1-CD1 3.33Å; I526-L560 HydrophobicContact CB-CD2 4.38Å; I526-L560 HydrophobicContact CD1-CD2 3.58Å; I526-L560 HydrophobicContact CG2-CD2 4.27Å
527F95.7Very high93.7Very high30 Ų3044 Ų4413%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-119147.5-179.2-64.7-90.5000110.5Y508 H509 A525 A531 P534Y508-F527 VanDerWaalsContact CA-O 3.23Å; Y508-F527 WeakPolarHBondContact CA-O 3.46Å; Y508-F527 WeakPolarHBondContact CB-O 3.37Å; H509-F527 WeakPolarHBondContact CE1-CB 3.36Å; H509-F527 AromaticContact CE1-CG 3.84Å; H509-F527 PolarHBondContact N-O 3.44Å; H509-F527 VanDerWaalsContact N-O 3.16Å; H509-F527 AromaticContact NE2-CD2 3.65Å; H509-F527 AromaticContact NE2-CG 3.82Å; H509-F527 PolarHBondContact O-N 3.06Å; A525-F527 HydrophobicContact CB-CD2 4.44Å; A525-F527 HydrophobicContact CB-CE2 3.62Å; A525-F527 HydrophobicContact CB-CZ 4.07Å; F527-A531 WeakPolarHBondContact CD1-O 3.38Å; F527-P534 HydrophobicContact CD1-CB 4.31Å; F527-P534 HydrophobicContact CE1-CB 3.92Å; F527-P534 HydrophobicContact CE1-CG 4.41Å; F527-P534 HydrophobicContact CE2-CB 4.42Å; F527-P534 HydrophobicContact CZ-CB 3.98Å; F527-P534 HydrophobicContact CZ-CG 4.47Å
528L93.4Very high93.8Very high0 Ų043.9 Ų43.90%026%0.26CS..EExtended strand (participates in β ladder)trans-126.7138.3179.2-70.9-178.9000111.3M495 I500 G507 G530 A531 V535 M565 A568 V569M495-L528 HydrophobicContact CE-CD2 4.25Å; M495-L528 HydrophobicContact SD-CD2 3.84Å; I500-L528 HydrophobicContact CD1-CD2 4.18Å; I500-L528 HydrophobicContact CG2-CD2 4.04Å; G507-L528 CarbonylContact O-C 3.49Å; L528-G530 VanDerWaalsContact C-N 3.25Å; L528-G530 PolarHBondContact O-N 3.16Å; L528-A531 WeakPolarHBondContact O-CB 3.25Å; L528-A531 PolarHBondContact O-N 3.25Å; L528-V535 HydrophobicContact CB-CG1 4.13Å; L528-V535 HydrophobicContact CD1-CB 4.36Å; L528-V535 HydrophobicContact CD1-CG1 4.01Å; L528-V535 HydrophobicContact CD1-CG2 3.82Å; L528-V535 HydrophobicContact CG-CG1 4.08Å; L528-V535 HydrophobicContact CG-CG2 3.78Å; L528-M565 HydrophobicContact CD1-CB 4.12Å; L528-M565 HydrophobicContact CD1-CE 4.12Å; L528-M565 HydrophobicContact CD1-CG 3.75Å; L528-A568 HydrophobicContact CB-CB 3.82Å; L528-V569 HydrophobicContact CD1-CG2 4.46Å
529M88.4Confident93.9Very high81 Ų8143.6 Ų43.640%0.39926%0.259SS..THydrogen-bonded Turntrans51.939170.3-55.2-60.3-72.100113.8K505 N506 G507 A531 V569K505-M529 CarbonylContact O-C 3.56Å; K505-M529 VanDerWaalsContact O-C 3.24Å; N506-M529 VanDerWaalsContact C-SD 3.58Å; G507-M529 PolarHBondContact O-N 2.89Å; M529-A531 PolarHBondContact O-N 3.12Å; M529-V569 HydrophobicContact CG-CG2 3.83Å
530G83.6Confident94Very high43 Ų4339.9 Ų39.944%0.44324%0.243SC..THydrogen-bonded Turntrans66.117-177.200000114.9K505 L528K505-G530 PolarHBondContact O-N 3.15Å; L528-G530 VanDerWaalsContact C-N 3.25Å; L528-G530 PolarHBondContact O-N 3.16Å
531A86.5Confident94.1Very high35 Ų3536.2 Ų36.229%0.28922%0.219SC..  trans-62.1143.717600000111.4F527 L528 M529F527-A531 WeakPolarHBondContact CD1-O 3.38Å; L528-A531 WeakPolarHBondContact O-CB 3.25Å; L528-A531 PolarHBondContact O-N 3.25Å; M529-A531 PolarHBondContact O-N 3.12Å
532T86Confident94.2Very high126 Ų12636.3 Ų36.377%0.77321%0.209SC*.SBendtrans-80.1-22.8178.556.20000113.2
533N91.1Very high94.2Very high118 Ų11833.7 Ų33.763%0.63121%0.207SC*.SBendtrans-100136.8178.2-65.8-22.7000109.5
534P94.7Very high94.2Very high64 Ų6437.6 Ų37.642%0.41623%0.228SC..  trans-69.3142.3176.830-34.5000110.6A525 I526 F527 G536A525-P534 HydrophobicContact CB-CB 3.96Å; I526-P534 CarbonylContact O-C 3.59Å; I526-P534 VanDerWaalsContact O-CA 3.24Å; I526-P534 WeakPolarHBondContact O-CA 3.45Å; F527-P534 HydrophobicContact CD1-CB 4.31Å; F527-P534 HydrophobicContact CE1-CB 3.92Å; F527-P534 HydrophobicContact CE1-CG 4.41Å; F527-P534 HydrophobicContact CE2-CB 4.42Å; F527-P534 HydrophobicContact CZ-CB 3.98Å; F527-P534 HydrophobicContact CZ-CG 4.47Å; P534-G536 VanDerWaalsContact C-N 3.29Å
535V95.3Very high94.2Very high4 Ų437.2 Ų37.22%0.02422%0.224CC..SBendtrans-85.8-7.2174.9-57.50000112.4I526 L528 L560 S561 D564 M565I526-V535 HydrophobicContact CB-CG2 4.32Å; I526-V535 HydrophobicContact CG2-CG2 3.93Å; I526-V535 WeakPolarHBondContact O-CG2 3.43Å; I526-V535 PolarHBondContact O-N 2.89Å; L528-V535 HydrophobicContact CB-CG1 4.13Å; L528-V535 HydrophobicContact CD1-CB 4.36Å; L528-V535 HydrophobicContact CD1-CG1 4.01Å; L528-V535 HydrophobicContact CD1-CG2 3.82Å; L528-V535 HydrophobicContact CG-CG1 4.08Å; L528-V535 HydrophobicContact CG-CG2 3.78Å; V535-L560 HydrophobicContact CG2-CD2 4.31Å; V535-S561 PolarHBondContact O-N 3.41Å; V535-D564 HydrophobicContact CB-CB 4.06Å; V535-D564 HydrophobicContact CG1-CB 3.97Å; V535-M565 HydrophobicContact CB-CG 4.11Å; V535-M565 HydrophobicContact CG2-CG 4.24Å
536G95.7Very high94.1Very high16 Ų1637.8 Ų37.817%0.16523%0.228CC..EExtended strand (participates in β ladder)trans170.6-171.5-179.300000112.4I526 P534 E559I526-G536 PolarHBondContact N-O 3.15Å; P534-G536 VanDerWaalsContact C-N 3.29Å; G536-E559 CarbonylContact C-O 3.48Å; G536-E559 WeakPolarHBondContact CA-O 3.18Å
537Q96.7Very high94.1Very high37 Ų3745.4 Ų45.417%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-148.1154-17861.9-1764.200111.8D515 F518 A524 L558 E559D515-Q537 PolarHBondContact OD2-OE1 3.33Å; F518-Q537 HydrophobicContact CE2-CG 4.44Å; F518-Q537 HydrophobicContact CZ-CG 4.4Å; A524-Q537 CarbonylContact O-C 3.5Å; A524-Q537 WeakPolarHBondContact O-CA 3.48Å; Q537-L558 WeakPolarHBondContact O-CA 3.25Å; Q537-E559 PolarHBondContact N-O 3.09Å; Q537-E559 PolarHBondContact O-N 2.8Å
538M97.6Very high94.1Very high1 Ų145.8 Ų45.81%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-136.3152.1172.364.7171.3-167.100111.2F484 I487 H488 L491 I510 C523 A524 I526 S557 L558F484-M538 HydrophobicContact CE2-CE 4.41Å; F484-M538 HydrophobicContact CZ-CE 3.99Å; I487-M538 HydrophobicContact CG2-CB 4.29Å; H488-M538 HydrophobicContact CB-CE 4.42Å; H488-M538 HydrophobicContact CB-SD 4.2Å; L491-M538 HydrophobicContact CD2-SD 3.99Å; I510-M538 HydrophobicContact CB-CE 4.4Å; I510-M538 HydrophobicContact CD1-CE 3.57Å; I510-M538 HydrophobicContact CG2-CE 4.06Å; C523-M538 CarbonylContact C-O 3.5Å; C523-M538 WeakPolarHBondContact CA-O 3.13Å; A524-M538 HydrophobicContact CB-CE 3.94Å; A524-M538 HydrophobicContact CB-CG 4.29Å; A524-M538 PolarHBondContact N-O 2.78Å; A524-M538 PolarHBondContact O-N 2.86Å; I526-M538 HydrophobicContact CD1-CB 4.34Å; I526-M538 HydrophobicContact CD1-CG 4.34Å; M538-S557 CarbonylContact C-O 3.55Å; M538-S557 WeakPolarHBondContact CA-O 3.32Å; M538-L558 HydrophobicContact CB-CB 4.26Å; M538-L558 HydrophobicContact CB-CD1 4.04Å
539G97.5Very high94.3Very high0 Ų045.9 Ų45.90%027%0.27CS..EExtended strand (participates in β ladder)trans176.2173.8178.700000114.6F518 R522 A556 S557F518-G539 VanDerWaalsContact CD1-CA 3.5Å; R522-G539 CarbonylContact O-C 3.59Å; R522-G539 WeakPolarHBondContact O-CA 3.1Å; G539-A556 CarbonylContact O-C 3.51Å; G539-A556 VanDerWaalsContact O-CA 3.29Å; G539-A556 WeakPolarHBondContact O-CA 3.04Å; G539-S557 PolarHBondContact N-O 2.74Å; G539-S557 PolarHBondContact O-N 2.82Å
540I97.9Very high94.7Very high19 Ų1946.6 Ų46.610%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-87.4127.2168.5-59175.5000108.1F484 F518 F519 R522 V554 C555F484-I540 HydrophobicContact CB-CD1 4Å; F484-I540 HydrophobicContact CB-CG1 3.91Å; F484-I540 HydrophobicContact CD2-CG1 3.99Å; F484-I540 HydrophobicContact CG-CD1 4.44Å; F484-I540 HydrophobicContact CG-CG1 4.23Å; F518-I540 CarbonylContact C-O 3.53Å; F518-I540 VanDerWaalsContact CA-O 3.26Å; F518-I540 WeakPolarHBondContact CA-O 3.44Å; F518-I540 WeakPolarHBondContact CB-O 3.44Å; F518-I540 WeakPolarHBondContact CD1-O 3.38Å; F519-I540 HydrophobicContact CB-CB 4.44Å; F519-I540 HydrophobicContact CB-CG2 4.47Å; F519-I540 PolarHBondContact N-O 3.32Å; R522-I540 HydrophobicContact CB-CB 4.13Å; R522-I540 HydrophobicContact CB-CD1 3.98Å; R522-I540 HydrophobicContact CB-CG1 4.13Å; R522-I540 HydrophobicContact CG-CD1 4.03Å; R522-I540 PolarHBondContact O-N 3.03Å; I540-V554 HydrophobicContact CG2-CG1 3.5Å; I540-C555 WeakPolarHBondContact CA-O 3.33Å
541L97.5Very high95.3Very high4 Ų444.9 Ų44.92%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-63.9144.1179.2-62-172.1000111.7L434 L438 F518 V545 T546 C555L434-L541 HydrophobicContact CD1-CD1 4.32Å; L434-L541 HydrophobicContact CD2-CD1 4.45Å; L434-L541 HydrophobicContact CD2-CD2 3.8Å; L438-L541 HydrophobicContact CD1-CD1 3.75Å; L438-L541 HydrophobicContact CD2-CD1 3.66Å; L438-L541 HydrophobicContact CG-CD1 4.3Å; F518-L541 HydrophobicContact CD1-CD2 3.95Å; F518-L541 HydrophobicContact CE1-CD2 3.67Å; F518-L541 HydrophobicContact CZ-CD2 4.2Å; L541-V545 HydrophobicContact CD1-CG1 4.28Å; L541-T546 HydrophobicContact CB-CG2 3.85Å; L541-T546 HydrophobicContact CD1-CG2 4.44Å; L541-C555 HydrophobicContact CB-CB 4.14Å; L541-C555 HydrophobicContact CD1-CB 3.57Å; L541-C555 HydrophobicContact CG-CB 3.81Å; L541-C555 PolarHBondContact N-O 2.74Å
542H97Very high95.6Very high43 Ų4349.3 Ų49.320%0.19927%0.272CS..PPolyproline II helixtrans-61.8140.5175-165.2-91.1000110.2A517 D544 V545 T546A517-H542 PolarHBondContact O-N 2.99Å; H542-D544 IonicContact CE1-OD2 3.55Å; H542-D544 PolarHBondContact CE1-OD2 3.41Å; H542-D544 WeakPolarHBondContact ND1-CB 3.38Å; H542-D544 PolarHBondContact ND1-N 3.33Å; H542-D544 VanDerWaalsContact ND1-N 3.18Å; H542-D544 IonicContact ND1-OD2 2.71Å; H542-D544 PolarHBondContact ND1-OD2 3.35Å; H542-D544 PolarHBondContact O-N 3.13Å; H542-D544 VanDerWaalsContact O-N 3.13Å; H542-V545 HydrophobicContact CB-CG2 4.23Å; H542-V545 WeakPolarHBondContact O-CB 3.43Å; H542-V545 PolarHBondContact O-N 3.01Å; H542-T546 PolarHBondContact O-N 2.96Å; H542-T546 VanDerWaalsContact O-N 3.11Å
543P95.4Very high96Very high68 Ų6847.1 Ų47.144%0.44225%0.252SS..Hα-helixtrans-51.6-37.9177.5-30.636.2000113.5F519 V545 T546 K547F519-P543 HydrophobicContact CD2-CG 4.42Å; P543-V545 PolarHBondContact O-N 2.54Å; P543-T546 WeakPolarHBondContact CA-OG1 3.47Å; P543-T546 PolarHBondContact O-N 3.06Å; P543-T546 PolarHBondContact O-OG1 3.09Å; P543-K547 VanDerWaalsContact O-CB 3.29Å; P543-K547 WeakPolarHBondContact O-CB 3.16Å; P543-K547 PolarHBondContact O-N 2.94Å
544D96.2Very high96.2Very high88 Ų8844.1 Ų44.147%0.47124%0.237SC..Hα-helixtrans-62.3-39.4176.9-63.2-23.5000112.9H542 K547 A548H542-D544 IonicContact CE1-OD2 3.55Å; H542-D544 PolarHBondContact CE1-OD2 3.41Å; H542-D544 WeakPolarHBondContact ND1-CB 3.38Å; H542-D544 PolarHBondContact ND1-N 3.33Å; H542-D544 VanDerWaalsContact ND1-N 3.18Å; H542-D544 IonicContact ND1-OD2 2.71Å; H542-D544 PolarHBondContact ND1-OD2 3.35Å; H542-D544 PolarHBondContact O-N 3.13Å; H542-D544 VanDerWaalsContact O-N 3.13Å; D544-K547 PolarHBondContact O-N 2.81Å; D544-A548 VanDerWaalsContact O-CB 3.24Å; D544-A548 WeakPolarHBondContact O-CB 3.27Å; D544-A548 PolarHBondContact O-N 3.14Å
545V97Very high96.3Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-65.6-49.9175.6174.10000109.7K405 L406 L438 A517 L541 H542 P543 K547 A548 F549K405-V545 WeakPolarHBondContact O-CG1 3.22Å; L406-V545 HydrophobicContact CD2-CG1 4.01Å; L438-V545 HydrophobicContact CD1-CG1 4.21Å; A517-V545 HydrophobicContact CB-CG2 4.49Å; L541-V545 HydrophobicContact CD1-CG1 4.28Å; H542-V545 HydrophobicContact CB-CG2 4.23Å; H542-V545 WeakPolarHBondContact O-CB 3.43Å; H542-V545 PolarHBondContact O-N 3.01Å; P543-V545 PolarHBondContact O-N 2.54Å; V545-K547 VanDerWaalsContact C-N 3.26Å; V545-K547 PolarHBondContact O-N 3.01Å; V545-A548 PolarHBondContact O-N 2.66Å; V545-A548 VanDerWaalsContact O-N 3.09Å; V545-F549 HydrophobicContact CG1-CD2 4.08Å; V545-F549 HydrophobicContact CG1-CE2 4.2Å; V545-F549 WeakPolarHBondContact O-CD2 3.06Å; V545-F549 PolarHBondContact O-N 2.82Å
546T95.8Very high96.4Very high17 Ų1740.9 Ų40.910%0.10422%0.216CC..Hα-helixtrans-57.5-42.9178.460.30000111.2L541 H542 P543 F549 E550 L551 C555L541-T546 HydrophobicContact CB-CG2 3.85Å; L541-T546 HydrophobicContact CD1-CG2 4.44Å; H542-T546 PolarHBondContact O-N 2.96Å; H542-T546 VanDerWaalsContact O-N 3.11Å; P543-T546 WeakPolarHBondContact CA-OG1 3.47Å; P543-T546 PolarHBondContact O-N 3.06Å; P543-T546 PolarHBondContact O-OG1 3.09Å; T546-F549 CarbonylContact O-C 3.59Å; T546-F549 PolarHBondContact O-N 3.43Å; T546-E550 PolarHBondContact O-N 3.15Å; T546-E550 VanDerWaalsContact O-N 3.12Å; T546-L551 WeakPolarHBondContact O-CB 3.36Å; T546-L551 PolarHBondContact O-N 2.94Å; T546-C555 HydrophobicContact CG2-CB 4.23Å
547K96.5Very high96.5Very high159 Ų15940.2 Ų40.269%0.69121%0.209SC*.Hα-helixtrans-66.4-37.4176.3-171-179.4-179.5-177.20112.9P543 D544 V545 F549 E550P543-K547 VanDerWaalsContact O-CB 3.29Å; P543-K547 WeakPolarHBondContact O-CB 3.16Å; P543-K547 PolarHBondContact O-N 2.94Å; D544-K547 PolarHBondContact O-N 2.81Å; V545-K547 VanDerWaalsContact C-N 3.26Å; V545-K547 PolarHBondContact O-N 3.01Å; K547-F549 VanDerWaalsContact C-N 3.27Å; K547-F549 PolarHBondContact O-N 2.8Å; K547-E550 VanDerWaalsContact O-CA 3.26Å; K547-E550 WeakPolarHBondContact O-CA 3.46Å; K547-E550 PolarHBondContact O-N 3.37Å
548A97Very high96.6Very high38 Ų3838.5 Ų38.531%0.31420%0.201SC..Hα-helixtrans-67.2-27.3176.900000113K405 D544 V545 E550K405-A548 HydrophobicContact CB-CB 4.02Å; K405-A548 HydrophobicContact CG-CB 4.11Å; D544-A548 VanDerWaalsContact O-CB 3.24Å; D544-A548 WeakPolarHBondContact O-CB 3.27Å; D544-A548 PolarHBondContact O-N 3.14Å; V545-A548 PolarHBondContact O-N 2.66Å; V545-A548 VanDerWaalsContact O-N 3.09Å; A548-E550 VanDerWaalsContact C-N 3.29Å
549F97.1Very high96.6Very high3 Ų339.2 Ų39.21%0.01321%0.205CC..THydrogen-bonded Turntrans-92.512166.9-71.8-85.9000112.9K405 L406 P435 L438 K439 V545 T546 K547 L551K405-F549 HydrophobicContact CB-CD2 4.11Å; K405-F549 HydrophobicContact CB-CE2 3.43Å; K405-F549 VanDerWaalsContact CB-CE2 3.43Å; K405-F549 HydrophobicContact CB-CZ 3.69Å; K405-F549 HydrophobicContact CD-CD1 4.25Å; K405-F549 HydrophobicContact CD-CD2 4.46Å; K405-F549 HydrophobicContact CD-CE1 3.89Å; K405-F549 HydrophobicContact CD-CE2 4.13Å; K405-F549 HydrophobicContact CD-CZ 3.82Å; K405-F549 HydrophobicContact CG-CE2 4.44Å; K405-F549 HydrophobicContact CG-CZ 4.45Å; L406-F549 HydrophobicContact CD2-CE2 4.02Å; P435-F549 HydrophobicContact CB-CE1 4.09Å; P435-F549 HydrophobicContact CB-CZ 3.87Å; P435-F549 HydrophobicContact CG-CZ 4.46Å; L438-F549 HydrophobicContact CB-CB 4.1Å; L438-F549 HydrophobicContact CB-CD1 3.81Å; L438-F549 HydrophobicContact CB-CD2 4.3Å; L438-F549 HydrophobicContact CB-CE1 4.31Å; L438-F549 HydrophobicContact CB-CG 3.81Å; L438-F549 HydrophobicContact CD1-CD1 4.49Å; L438-F549 HydrophobicContact CD1-CD2 3.57Å; L438-F549 HydrophobicContact CD1-CE2 3.79Å; L438-F549 HydrophobicContact CD1-CG 3.96Å; L438-F549 HydrophobicContact CD1-CZ 4.36Å; K439-F549 HydrophobicContact CG-CD1 4.21Å; K439-F549 HydrophobicContact CG-CE1 4.22Å; V545-F549 HydrophobicContact CG1-CD2 4.08Å; V545-F549 HydrophobicContact CG1-CE2 4.2Å; V545-F549 WeakPolarHBondContact O-CD2 3.06Å; V545-F549 PolarHBondContact O-N 2.82Å; T546-F549 CarbonylContact O-C 3.59Å; T546-F549 PolarHBondContact O-N 3.43Å; K547-F549 VanDerWaalsContact C-N 3.27Å; K547-F549 PolarHBondContact O-N 2.8Å; F549-L551 VanDerWaalsContact C-N 3.27Å; F549-L551 HydrophobicContact CB-CD1 4.35Å; F549-L551 HydrophobicContact CB-CG 4.16Å; F549-L551 PolarHBondContact O-N 3.22Å
550E96.9Very high96.5Very high96 Ų9639.2 Ų39.245%0.44921%0.205SC..THydrogen-bonded Turntrans57.533.2177.3-58.3163.1-155.600113.5R442 R445 T546 K547 A548R442-E550 IonicContact NH1-OE1 3.97Å; R442-E550 PolarHBondContact NH1-OE1 2.81Å; R442-E550 IonicContact NH1-OE2 3.64Å; R445-E550 IonicContact CZ-OE2 3.84Å; R445-E550 PolarHBondContact NE-O 3.49Å; R445-E550 VanDerWaalsContact NE-O 3.09Å; R445-E550 PolarHBondContact NH1-O 3.33Å; R445-E550 IonicContact NH1-OE2 3.86Å; R445-E550 PolarHBondContact NH2-O 3.5Å; R445-E550 IonicContact NH2-OE2 2.89Å; R445-E550 PolarHBondContact NH2-OE2 2.91Å; T546-E550 PolarHBondContact O-N 3.15Å; T546-E550 VanDerWaalsContact O-N 3.12Å; K547-E550 VanDerWaalsContact O-CA 3.26Å; K547-E550 WeakPolarHBondContact O-CA 3.46Å; K547-E550 PolarHBondContact O-N 3.37Å; A548-E550 VanDerWaalsContact C-N 3.29Å
551L96Very high96.4Very high7 Ų738.7 Ų38.74%0.03720%0.203CC..  trans-93.9136.5179.9-56.3-177.9000111.1L438 I441 R442 Y478 T546 F549L438-L551 HydrophobicContact CB-CD1 4.27Å; L438-L551 HydrophobicContact CD2-CD1 3.78Å; I441-L551 HydrophobicContact CB-CD2 4.22Å; I441-L551 HydrophobicContact CG2-CD1 4.28Å; I441-L551 HydrophobicContact CG2-CD2 3.76Å; R442-L551 HydrophobicContact CB-CD2 3.89Å; Y478-L551 HydrophobicContact CE2-CB 3.9Å; Y478-L551 HydrophobicContact CE2-CD1 4.34Å; T546-L551 WeakPolarHBondContact O-CB 3.36Å; T546-L551 PolarHBondContact O-N 2.94Å; F549-L551 VanDerWaalsContact C-N 3.27Å; F549-L551 HydrophobicContact CB-CD1 4.35Å; F549-L551 HydrophobicContact CB-CG 4.16Å; F549-L551 PolarHBondContact O-N 3.22Å
552N92.7Very high96.3Very high128 Ų12838.5 Ų38.568%0.68420%0.202SC*.  trans-94.6-10.1-174.2-64.9-20.9000115.2Y478Y478-N552 PolarHBondContact OH-N 2.74Å; Y478-N552 VanDerWaalsContact OH-N 3.12Å
553F94.3Very high96Very high80 Ų8038.9 Ų38.935%0.35120%0.203SC..SBendtrans-126.8172.6-173.5-60.1-69000110.4L449 Y478 G479 K480L449-F553 HydrophobicContact CD1-CD2 3.58Å; L449-F553 HydrophobicContact CD1-CE2 3.49Å; L449-F553 VanDerWaalsContact CD1-CE2 3.49Å; L449-F553 HydrophobicContact CD1-CG 4.18Å; L449-F553 HydrophobicContact CD1-CZ 3.99Å; Y478-F553 HydrophobicContact CD2-CB 4.21Å; Y478-F553 HydrophobicContact CE1-CB 4.38Å; Y478-F553 AromaticContact CE1-CD2 3.97Å; Y478-F553 HydrophobicContact CE1-CD2 3.97Å; Y478-F553 HydrophobicContact CE2-CB 3.6Å; Y478-F553 WeakPolarHBondContact CE2-O 3.16Å; Y478-F553 AromaticContact CZ-CD2 3.75Å; Y478-F553 WeakPolarHBondContact OH-CD2 3.22Å; Y478-F553 PolarHBondContact OH-N 3.05Å; G479-F553 WeakPolarHBondContact O-CB 3.09Å; K480-F553 HydrophobicContact CG-CD1 4.11Å; K480-F553 HydrophobicContact CG-CE1 3.96Å
554V94.9Very high95.8Very high54 Ų5437.9 Ų37.933%0.32720%0.195SC..EExtended strand (participates in β ladder)trans-76.2140.2-175-168.80000110Y478 G479 I540Y478-V554 WeakPolarHBondContact CA-O 3.32Å; G479-V554 PolarHBondContact N-O 3.23Å; G479-V554 VanDerWaalsContact N-O 3.16Å; G479-V554 PolarHBondContact O-N 3.03Å; I540-V554 HydrophobicContact CG2-CG1 3.5Å
555C96.5Very high95.5Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-115.9127.2173.4-60.70000109.2V476 H477 Y478 I540 L541 T546V476-C555 HydrophobicContact CG1-CB 4.3Å; H477-C555 WeakPolarHBondContact O-CA 3.35Å; Y478-C555 WeakPolarHBondContact CD2-SG 3.47Å; I540-C555 WeakPolarHBondContact CA-O 3.33Å; L541-C555 HydrophobicContact CB-CB 4.14Å; L541-C555 HydrophobicContact CD1-CB 3.57Å; L541-C555 HydrophobicContact CG-CB 3.81Å; L541-C555 PolarHBondContact N-O 2.74Å; T546-C555 HydrophobicContact CG2-CB 4.23Å
556A98Very high95Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-106.4137.5160.700000109V476 H477 S482 I487 G539V476-A556 CarbonylContact C-O 3.54Å; V476-A556 VanDerWaalsContact CA-O 3.31Å; V476-A556 WeakPolarHBondContact CA-O 3.49Å; H477-A556 PolarHBondContact N-O 2.88Å; H477-A556 PolarHBondContact O-N 3.34Å; S482-A556 VanDerWaalsContact O-CB 3.23Å; S482-A556 WeakPolarHBondContact O-CB 3.24Å; I487-A556 HydrophobicContact CB-CB 4.32Å; I487-A556 HydrophobicContact CG1-CB 3.78Å; G539-A556 CarbonylContact O-C 3.51Å; G539-A556 VanDerWaalsContact O-CA 3.29Å; G539-A556 WeakPolarHBondContact O-CA 3.04Å
557S98Very high94.4Very high3 Ų339.8 Ų39.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-129.6152.2179.667.70000112.4A475 F518 M538 G539A475-S557 CarbonylContact O-C 3.53Å; A475-S557 WeakPolarHBondContact O-CA 3.44Å; F518-S557 VanDerWaalsContact CE1-OG 3.31Å; F518-S557 WeakPolarHBondContact CE1-OG 3.39Å; M538-S557 CarbonylContact C-O 3.55Å; M538-S557 WeakPolarHBondContact CA-O 3.32Å; G539-S557 PolarHBondContact N-O 2.74Å; G539-S557 PolarHBondContact O-N 2.82Å
558L98.1Very high93.5Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-128.9129.3168.916266.8000107.5F473 C474 A475 I487 L490 L491 I526 Q537 M538 L560F473-L558 HydrophobicContact CE1-CD2 3.65Å; F473-L558 HydrophobicContact CE1-CG 3.88Å; F473-L558 HydrophobicContact CZ-CD2 4.17Å; C474-L558 CarbonylContact C-O 3.54Å; C474-L558 WeakPolarHBondContact CA-O 3.34Å; A475-L558 PolarHBondContact N-O 2.93Å; A475-L558 PolarHBondContact O-N 3.12Å; I487-L558 HydrophobicContact CG2-CB 3.39Å; L490-L558 HydrophobicContact CD2-CD2 4.48Å; L490-L558 HydrophobicContact CG-CD2 4.49Å; L491-L558 HydrophobicContact CB-CD2 3.96Å; L491-L558 HydrophobicContact CD1-CD1 4.15Å; L491-L558 HydrophobicContact CD1-CD2 4.43Å; I526-L558 HydrophobicContact CD1-CD1 3.33Å; Q537-L558 WeakPolarHBondContact O-CA 3.25Å; M538-L558 HydrophobicContact CB-CB 4.26Å; M538-L558 HydrophobicContact CB-CD1 4.04Å; L558-L560 HydrophobicContact CD1-CD1 4.47Å; L558-L560 HydrophobicContact CD1-CD2 3.97Å; L558-L560 HydrophobicContact CD1-CG 3.95Å; L558-L560 HydrophobicContact CG-CG 4.42Å
559E97.7Very high92.5Very high16 Ų1632.8 Ų32.88%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-130.6128.6172.8-171.8163.9-169.600109.9L433 N472 F473 C474 G536 Q537L433-E559 PolarHBondContact N-OE1 3.32Å; N472-E559 PolarHBondContact ND2-OE1 2.89Å; N472-E559 VanDerWaalsContact ND2-OE1 3.13Å; F473-E559 CarbonylContact O-C 3.43Å; F473-E559 WeakPolarHBondContact O-CA 3.47Å; F473-E559 WeakPolarHBondContact O-CG 3.49Å; C474-E559 HydrophobicContact CB-CB 4.24Å; C474-E559 HydrophobicContact CB-CG 4.05Å; G536-E559 CarbonylContact C-O 3.48Å; G536-E559 WeakPolarHBondContact CA-O 3.18Å; Q537-E559 PolarHBondContact N-O 3.09Å; Q537-E559 PolarHBondContact O-N 2.8Å
560L96.8Very high90.9Very high1 Ų140.9 Ų40.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.1143.4179.7-61.1177000110.5N472 F473 L491 M495 I526 V535 L558 M565N472-L560 CarbonylContact C-O 3.46Å; N472-L560 VanDerWaalsContact CA-O 3.27Å; N472-L560 WeakPolarHBondContact CA-O 3.44Å; F473-L560 HydrophobicContact CD1-CB 4.09Å; F473-L560 HydrophobicContact CD1-CD1 3.97Å; F473-L560 HydrophobicContact CD1-CG 4.07Å; F473-L560 HydrophobicContact CE1-CD1 4.24Å; F473-L560 PolarHBondContact N-O 3.37Å; F473-L560 PolarHBondContact O-N 2.88Å; L491-L560 HydrophobicContact CD1-CD1 4.1Å; L491-L560 HydrophobicContact CD1-CD2 4.34Å; M495-L560 HydrophobicContact CE-CD1 4.06Å; I526-L560 HydrophobicContact CB-CD2 4.38Å; I526-L560 HydrophobicContact CD1-CD2 3.58Å; I526-L560 HydrophobicContact CG2-CD2 4.27Å; V535-L560 HydrophobicContact CG2-CD2 4.31Å; L558-L560 HydrophobicContact CD1-CD1 4.47Å; L558-L560 HydrophobicContact CD1-CD2 3.97Å; L558-L560 HydrophobicContact CD1-CG 3.95Å; L558-L560 HydrophobicContact CG-CG 4.42Å; L560-M565 HydrophobicContact CB-SD 4.11Å; L560-M565 HydrophobicContact CD1-SD 3.98Å
561S95.4Very high89.2Confident7 Ų742.1 Ų42.15%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-97116.7172.8164.70000110.2R470 V535 E563 D564 M565R470-S561 VanDerWaalsContact CZ-OG 3.31Å; R470-S561 PolarHBondContact NH2-OG 2.88Å; R470-S561 VanDerWaalsContact NH2-OG 3.11Å; V535-S561 PolarHBondContact O-N 3.41Å; S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 PolarHBondContact O-N 3.38Å; S561-D564 WeakPolarHBondContact CB-OD2 3.33Å; S561-D564 PolarHBondContact O-N 2.82Å; S561-D564 PolarHBondContact OG-N 2.77Å; S561-D564 PolarHBondContact OG-OD2 2.96Å; S561-M565 VanDerWaalsContact O-CG 3.29Å; S561-M565 WeakPolarHBondContact O-CG 3.28Å; S561-M565 PolarHBondContact O-N 2.83Å
562F94.3Very high87.5Confident0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-67.7-31.5-177.8-84.334.8000112.2M372 L375 F379 I456 R471 F473 M565 M566M372-F562 HydrophobicContact CE-CB 4.3Å; M372-F562 HydrophobicContact SD-CB 3.51Å; M372-F562 VanDerWaalsContact SD-CB 3.51Å; M372-F562 HydrophobicContact SD-CD2 4.01Å; M372-F562 HydrophobicContact SD-CG 4.27Å; L375-F562 HydrophobicContact CB-CD2 4.41Å; L375-F562 HydrophobicContact CB-CE2 4.34Å; L375-F562 HydrophobicContact CD2-CD2 3.83Å; L375-F562 HydrophobicContact CD2-CE2 4.15Å; L375-F562 HydrophobicContact CD2-CG 4.49Å; L375-F562 HydrophobicContact CG-CD2 3.97Å; L375-F562 HydrophobicContact CG-CE2 3.81Å; F379-F562 HydrophobicContact CB-CE2 4.37Å; F379-F562 HydrophobicContact CB-CZ 3.74Å; F379-F562 AromaticContact CD1-CE1 3.82Å; F379-F562 HydrophobicContact CD1-CE1 3.82Å; F379-F562 AromaticContact CD1-CZ 3.47Å; F379-F562 HydrophobicContact CD1-CZ 3.47Å; F379-F562 VanDerWaalsContact CD1-CZ 3.47Å; F379-F562 HydrophobicContact CD2-CE2 4.15Å; F379-F562 AromaticContact CD2-CZ 3.8Å; F379-F562 HydrophobicContact CD2-CZ 3.8Å; F379-F562 AromaticContact CE1-CE1 3.94Å; F379-F562 HydrophobicContact CE1-CE1 3.94Å; F379-F562 AromaticContact CE1-CZ 3.94Å; F379-F562 HydrophobicContact CE1-CZ 3.94Å; F379-F562 HydrophobicContact CE2-CZ 4.23Å; F379-F562 HydrophobicContact CG-CE1 4.22Å; F379-F562 HydrophobicContact CG-CE2 4.13Å; F379-F562 AromaticContact CG-CZ 3.4Å; F379-F562 HydrophobicContact CG-CZ 3.4Å; F379-F562 VanDerWaalsContact CG-CZ 3.4Å; F379-F562 HydrophobicContact CZ-CE1 4.44Å; F379-F562 HydrophobicContact CZ-CZ 4.3Å; I456-F562 HydrophobicContact CD1-CZ 4.4Å; I456-F562 HydrophobicContact CG2-CE1 4.21Å; I456-F562 HydrophobicContact CG2-CE2 4.26Å; I456-F562 HydrophobicContact CG2-CZ 3.88Å; R471-F562 HydrophobicContact CB-CB 4.18Å; R471-F562 HydrophobicContact CG-CB 4.16Å; R471-F562 HydrophobicContact CG-CD2 4.18Å; R471-F562 HydrophobicContact CG-CG 4.14Å; R471-F562 WeakPolarHBondContact O-CB 3.02Å; R471-F562 PolarHBondContact O-N 2.81Å; F473-F562 HydrophobicContact CB-CD1 4.25Å; F473-F562 HydrophobicContact CB-CE1 3.49Å; F473-F562 VanDerWaalsContact CB-CE1 3.49Å; F473-F562 HydrophobicContact CB-CZ 4.29Å; F562-M565 PolarHBondContact O-N 3.21Å; F562-M566 WeakPolarHBondContact O-CB 3.32Å; F562-M566 WeakPolarHBondContact O-CG 3.24Å; F562-M566 PolarHBondContact O-N 2.85Å
563E91.1Very high87.2Confident51 Ų5139.7 Ų39.724%0.23822%0.223CC..Hα-helixtrans-69-40.2176.9-73.8156.7-168.400111.6M372 R470 R471 S561 M565 S567M372-E563 HydrophobicContact CE-CB 4.43Å; M372-E563 HydrophobicContact CE-CG 3.45Å; M372-E563 VanDerWaalsContact CE-CG 3.45Å; R470-E563 VanDerWaalsContact CA-OE1 3.25Å; R470-E563 WeakPolarHBondContact CA-OE1 3.44Å; R470-E563 WeakPolarHBondContact CA-OE2 3.25Å; R470-E563 WeakPolarHBondContact CB-OE2 3.46Å; R470-E563 WeakPolarHBondContact CG-OE2 3.45Å; R470-E563 IonicContact CZ-OE2 3.42Å; R470-E563 IonicContact NE-OE2 3.79Å; R470-E563 PolarHBondContact NE-OE2 2.91Å; R470-E563 IonicContact NH2-OE2 3.86Å; R471-E563 PolarHBondContact N-OE1 3.17Å; R471-E563 VanDerWaalsContact N-OE1 3.16Å; S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 PolarHBondContact O-N 3.38Å; E563-M565 VanDerWaalsContact C-N 3.34Å; E563-S567 VanDerWaalsContact O-CB 3.29Å; E563-S567 WeakPolarHBondContact O-CB 3.48Å; E563-S567 PolarHBondContact O-N 3.05Å; E563-S567 PolarHBondContact O-OG 2.63Å
564D91.2Very high86.9Confident48 Ų4837.6 Ų37.626%0.25722%0.216SC..Hα-helixtrans-67.3-39.6174.5-64.9-38.6000110.4R470 V535 S561 S567 A568R470-D564 IonicContact CZ-OD1 2.78Å; R470-D564 IonicContact CZ-OD2 3.9Å; R470-D564 VanDerWaalsContact CZ-OD2 3.24Å; R470-D564 IonicContact NH1-OD1 2.76Å; R470-D564 PolarHBondContact NH1-OD1 3.08Å; R470-D564 IonicContact NH1-OD2 3.86Å; R470-D564 PolarHBondContact NH1-OD2 3.44Å; R470-D564 IonicContact NH2-OD1 3.56Å; R470-D564 PolarHBondContact NH2-OD1 3.32Å; R470-D564 IonicContact NH2-OD2 3.04Å; R470-D564 PolarHBondContact NH2-OD2 2.82Å; V535-D564 HydrophobicContact CB-CB 4.06Å; V535-D564 HydrophobicContact CG1-CB 3.97Å; S561-D564 WeakPolarHBondContact CB-OD2 3.33Å; S561-D564 PolarHBondContact O-N 2.82Å; S561-D564 PolarHBondContact OG-N 2.77Å; S561-D564 PolarHBondContact OG-OD2 2.96Å; D564-S567 PolarHBondContact O-N 2.97Å; D564-A568 WeakPolarHBondContact O-CB 3.09Å; D564-A568 PolarHBondContact O-N 3.44Å
565M90.5Very high86.4Confident0 Ų036.7 Ų36.70%021%0.21CC..Hα-helixtrans-61.3-49.5173.7-68.3-176.266.500112.8F379 M495 L498 L528 V535 L560 S561 F562 E563 S567 A568 V569 L572F379-M565 HydrophobicContact CZ-CE 3.81Å; F379-M565 HydrophobicContact CZ-SD 4.28Å; M495-M565 HydrophobicContact CE-CE 3.95Å; M495-M565 HydrophobicContact SD-CE 4.42Å; L498-M565 HydrophobicContact CD1-CE 3.37Å; L528-M565 HydrophobicContact CD1-CB 4.12Å; L528-M565 HydrophobicContact CD1-CE 4.12Å; L528-M565 HydrophobicContact CD1-CG 3.75Å; V535-M565 HydrophobicContact CB-CG 4.11Å; V535-M565 HydrophobicContact CG2-CG 4.24Å; L560-M565 HydrophobicContact CB-SD 4.11Å; L560-M565 HydrophobicContact CD1-SD 3.98Å; S561-M565 VanDerWaalsContact O-CG 3.29Å; S561-M565 WeakPolarHBondContact O-CG 3.28Å; S561-M565 PolarHBondContact O-N 2.83Å; F562-M565 PolarHBondContact O-N 3.21Å; E563-M565 VanDerWaalsContact C-N 3.34Å; M565-S567 VanDerWaalsContact C-N 3.27Å; M565-S567 PolarHBondContact O-N 2.9Å; M565-A568 PolarHBondContact O-N 3.48Å; M565-V569 PolarHBondContact O-N 2.63Å; M565-L572 HydrophobicContact CB-CD1 4.29Å
566M86.7Confident85.8Confident52 Ų5238.8 Ų38.826%0.25622%0.222SC..Hα-helixtrans-64.4-32.1177.8-79.8-179.327.600112.5M372 L375 F562 V569 L572M372-M566 HydrophobicContact CB-SD 4.47Å; M372-M566 HydrophobicContact CE-CE 3.77Å; M372-M566 HydrophobicContact CE-SD 3.38Å; M372-M566 WeakPolarHBondContact CE-SD 3.37Å; M372-M566 HydrophobicContact SD-SD 3.82Å; L375-M566 HydrophobicContact CD2-CG 4Å; L375-M566 HydrophobicContact CD2-SD 4.37Å; F562-M566 WeakPolarHBondContact O-CB 3.32Å; F562-M566 WeakPolarHBondContact O-CG 3.24Å; F562-M566 PolarHBondContact O-N 2.85Å; M566-V569 CarbonylContact O-C 3.47Å; M566-L572 HydrophobicContact CG-CB 4.21Å
567S83.9Confident85.1Confident93 Ų9341.3 Ų41.365%0.6524%0.236SC*.Hα-helixtrans-70.6-37.6175.7-59.10000111.5E563 D564 M565E563-S567 VanDerWaalsContact O-CB 3.29Å; E563-S567 WeakPolarHBondContact O-CB 3.48Å; E563-S567 PolarHBondContact O-N 3.05Å; E563-S567 PolarHBondContact O-OG 2.63Å; D564-S567 PolarHBondContact O-N 2.97Å; M565-S567 VanDerWaalsContact C-N 3.27Å; M565-S567 PolarHBondContact O-N 2.9Å
568A76.7Confident84.2Confident27 Ų2743.8 Ų43.822%0.22325%0.25CS..Hα-helixtrans-73.5-32.4176.900000112.7L528 D564 M565L528-A568 HydrophobicContact CB-CB 3.82Å; D564-A568 WeakPolarHBondContact O-CB 3.09Å; D564-A568 PolarHBondContact O-N 3.44Å; M565-A568 PolarHBondContact O-N 3.48Å
569V75.3Confident83.2Confident23 Ų2346.9 Ų46.914%0.13927%0.268CS..  trans-122.191.7-177-169.60000109.6I500 L528 M529 M565 M566 C571 L572I500-V569 HydrophobicContact CD1-CG2 4.04Å; L528-V569 HydrophobicContact CD1-CG2 4.46Å; M529-V569 HydrophobicContact CG-CG2 3.83Å; M565-V569 PolarHBondContact O-N 2.63Å; M566-V569 CarbonylContact O-C 3.47Å; V569-C571 PolarHBondContact O-N 3.18Å; V569-L572 HydrophobicContact CB-CB 4.45Å; V569-L572 HydrophobicContact CB-CD1 3.6Å; V569-L572 HydrophobicContact CB-CG 3.66Å; V569-L572 HydrophobicContact CG1-CD1 4.12Å; V569-L572 HydrophobicContact CG1-CD2 4.49Å; V569-L572 HydrophobicContact CG1-CG 3.67Å; V569-L572 HydrophobicContact CG2-CD1 3.98Å; V569-L572 HydrophobicContact CG2-CG 4.46Å; V569-L572 PolarHBondContact O-N 3.19Å
570Q64.9Low82.1Confident172 Ų17249.3 Ų49.380%0.80428%0.283SS*.THydrogen-bonded Turntrans-55.5-21.9-176-69-177.3-13.400114.3R371R371-Q570 PolarHBondContact NH2-O 3.23Å
571C61.3Low80.9Confident122 Ų12253.3 Ų53.382%0.82431%0.306SS*.THydrogen-bonded Turntrans-85.6-6.7-179.2-62.20000115.2V569V569-C571 PolarHBondContact O-N 3.18Å
572L59.2Low79.5Confident45 Ų4557.5 Ų57.524%0.23633%0.33CS..  trans-720-175.5-78.9-179.9000116.1R371 L375 L498 M565 M566 V569R371-L572 PolarHBondContact NE-O 3.11Å; R371-L572 PolarHBondContact NH2-O 3.48Å; L375-L572 HydrophobicContact CD1-CD2 4.49Å; L498-L572 HydrophobicContact CB-CD2 4.31Å; L498-L572 HydrophobicContact CD1-CD1 4.32Å; L498-L572 HydrophobicContact CD1-CD2 4.15Å; L498-L572 HydrophobicContact CD2-CD2 3.66Å; L498-L572 HydrophobicContact CG-CD2 4.25Å; M565-L572 HydrophobicContact CB-CD1 4.29Å; M566-L572 HydrophobicContact CG-CB 4.21Å; V569-L572 HydrophobicContact CB-CB 4.45Å; V569-L572 HydrophobicContact CB-CD1 3.6Å; V569-L572 HydrophobicContact CB-CG 3.66Å; V569-L572 HydrophobicContact CG1-CD1 4.12Å; V569-L572 HydrophobicContact CG1-CD2 4.49Å; V569-L572 HydrophobicContact CG1-CG 3.67Å; V569-L572 HydrophobicContact CG2-CD1 3.98Å; V569-L572 HydrophobicContact CG2-CG 4.46Å; V569-L572 PolarHBondContact O-N 3.19Å

Retrieved 572 of 572 residues in 270.5 ms (Link to these results)

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