A0A024R640_HUMAN Loading...

1-acylglycerol-3-phosphate O-acyltransferase 5 (Lysophosphatidic acid acyltransferase, epsilon), isoform CRA_a

AlphaFold DB (Q9NUQ2), UniProt , Accession A0A024R640, Species HUMAN (Homo sapiens, Human), Gene AGPAT5, Length 364 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
1M68.5Low74Confident206 Ų206108.3 Ų108.3100%1.01557%0.571SS**  0-560-66.7-175.476.200112.4L3 S4 L5M1-L3 PolarHBondContact O-N 2.6Å; M1-S4 WeakPolarHBondContact O-CB 3.2Å; M1-S4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 3.11Å
2L70.2Confident75Confident143 Ų143108 Ų10875%0.74957%0.566SS**Hα-helixtrans-60.2-45.4-179-149.794.8000113S4 L5 V6L2-S4 VanDerWaalsContact C-N 3.34Å; L2-S4 PolarHBondContact O-N 3.45Å; L2-L5 PolarHBondContact O-N 3.48Å; L2-V6 WeakPolarHBondContact O-CG2 3.3Å; L2-V6 PolarHBondContact O-N 3.36Å
3L70.2Confident76.3Confident130 Ų130104.8 Ų104.868%0.68154%0.542SS*.Hα-helixtrans-59.9-43.2176.7-17369.2000111.9M1 V6 L7M1-L3 PolarHBondContact O-N 2.6Å; L3-V6 PolarHBondContact O-N 3.41Å; L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 WeakPolarHBondContact O-CB 3.3Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.34Å
4S75.2Confident77.6Confident61 Ų61102.9 Ų102.943%0.42753%0.525SS..Hα-helixtrans-60.8-45.2175.7-46.60000111.2M1 L2 V6 L7 H8M1-S4 WeakPolarHBondContact O-CB 3.2Å; M1-S4 PolarHBondContact O-N 3.48Å; L2-S4 VanDerWaalsContact C-N 3.34Å; L2-S4 PolarHBondContact O-N 3.45Å; S4-V6 PolarHBondContact O-N 3Å; S4-L7 PolarHBondContact O-N 2.87Å; S4-H8 WeakPolarHBondContact O-CB 3.43Å; S4-H8 PolarHBondContact O-CD2 3.03Å; S4-H8 VanDerWaalsContact O-CG 3.28Å; S4-H8 PolarHBondContact O-N 3.43Å
5L72.3Confident78.7Confident111 Ų111100.2 Ų100.258%0.58151%0.512SS*.Hα-helixtrans-62.4-42.2177.4-171.372.7000111.8M1 L2 H8 T9M1-L5 PolarHBondContact O-N 3.11Å; L2-L5 PolarHBondContact O-N 3.48Å; L5-H8 PolarHBondContact O-N 2.99Å; L5-T9 WeakPolarHBondContact O-CG2 3.38Å; L5-T9 PolarHBondContact O-N 3.26Å; L5-T9 PolarHBondContact O-OG1 3.47Å
6V74.4Confident79.7Confident65 Ų65100.1 Ų100.139%0.39451%0.512SS..Hα-helixtrans-62.9-49.2175.6174.10000110.2L2 L3 S4 H8 T9 Y10L2-V6 WeakPolarHBondContact O-CG2 3.3Å; L2-V6 PolarHBondContact O-N 3.36Å; L3-V6 PolarHBondContact O-N 3.41Å; S4-V6 PolarHBondContact O-N 3Å; V6-H8 VanDerWaalsContact C-N 3.31Å; V6-H8 PolarHBondContact O-N 3.29Å; V6-T9 PolarHBondContact O-N 3.5Å; V6-T9 VanDerWaalsContact O-N 3.16Å; V6-T9 PolarHBondContact O-OG1 3.49Å; V6-Y10 HydrophobicContact CG1-CD2 3.93Å; V6-Y10 HydrophobicContact CG1-CE2 3.85Å; V6-Y10 VanDerWaalsContact O-CD2 3.31Å; V6-Y10 WeakPolarHBondContact O-CD2 3.47Å; V6-Y10 PolarHBondContact O-N 3.36Å
7L73.3Confident80.8Confident107 Ų10794.2 Ų94.256%0.5648%0.482SS*.Hα-helixtrans-59-42.1176.7-70.8168.9000112L3 S4 Y10 S11L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 WeakPolarHBondContact O-CB 3.3Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.34Å; S4-L7 PolarHBondContact O-N 2.87Å; L7-Y10 PolarHBondContact O-N 3.43Å; L7-S11 PolarHBondContact O-N 3.39Å; L7-S11 PolarHBondContact O-OG 2.81Å
8H76.2Confident81.6Confident116 Ų11691.1 Ų91.154%0.53747%0.47SS..Hα-helixtrans-61.2-45.9175.2-74.9-54.6000111.8S4 L5 V6 Y10 S11 M12S4-H8 WeakPolarHBondContact O-CB 3.43Å; S4-H8 PolarHBondContact O-CD2 3.03Å; S4-H8 VanDerWaalsContact O-CG 3.28Å; S4-H8 PolarHBondContact O-N 3.43Å; L5-H8 PolarHBondContact O-N 2.99Å; V6-H8 VanDerWaalsContact C-N 3.31Å; V6-H8 PolarHBondContact O-N 3.29Å; H8-Y10 VanDerWaalsContact C-N 3.3Å; H8-Y10 PolarHBondContact O-N 3.03Å; H8-S11 WeakPolarHBondContact CA-OG 3.44Å; H8-S11 PolarHBondContact O-N 2.9Å; H8-S11 PolarHBondContact O-OG 3.4Å; H8-M12 WeakPolarHBondContact O-CB 3.38Å; H8-M12 VanDerWaalsContact O-CG 3.29Å; H8-M12 WeakPolarHBondContact O-CG 3.17Å; H8-M12 PolarHBondContact O-N 2.87Å
9T76.6Confident82.3Confident74 Ų7491.6 Ų91.645%0.45448%0.477SS..Hα-helixtrans-63.5-35.1177.860.90000112.6L5 V6 M12L5-T9 WeakPolarHBondContact O-CG2 3.38Å; L5-T9 PolarHBondContact O-N 3.26Å; L5-T9 PolarHBondContact O-OG1 3.47Å; V6-T9 PolarHBondContact O-N 3.5Å; V6-T9 VanDerWaalsContact O-N 3.16Å; V6-T9 PolarHBondContact O-OG1 3.49Å; T9-M12 PolarHBondContact O-N 3.34Å
10Y77.8Confident83Confident119 Ų11988.4 Ų88.447%0.46746%0.462SS..Hα-helixtrans-65.1-47172.2-89.9-109.3000111.9V6 L7 H8 M12 R13V6-Y10 HydrophobicContact CG1-CD2 3.93Å; V6-Y10 HydrophobicContact CG1-CE2 3.85Å; V6-Y10 VanDerWaalsContact O-CD2 3.31Å; V6-Y10 WeakPolarHBondContact O-CD2 3.47Å; V6-Y10 PolarHBondContact O-N 3.36Å; L7-Y10 PolarHBondContact O-N 3.43Å; H8-Y10 VanDerWaalsContact C-N 3.3Å; H8-Y10 PolarHBondContact O-N 3.03Å; Y10-M12 PolarHBondContact O-N 3.26Å; Y10-R13 VanDerWaalsContact CD1-CZ 3.42Å; Y10-R13 VanDerWaalsContact CE2-NH2 3.33Å; Y10-R13 WeakPolarHBondContact O-CB 3.46Å; Y10-R13 VanDerWaalsContact O-CG 3.31Å; Y10-R13 WeakPolarHBondContact O-CG 3.44Å; Y10-R13 PolarHBondContact O-N 3.12Å; Y10-R13 VanDerWaalsContact O-N 3.16Å; Y10-R13 PolarHBondContact OH-NH2 2.83Å
11S79.6Confident83.7Confident59 Ų5985.1 Ų85.141%0.41345%0.445SS..Hα-helixtrans-64.3-19.9178.569.40000113.5L7 H8 Y14L7-S11 PolarHBondContact O-N 3.39Å; L7-S11 PolarHBondContact O-OG 2.81Å; H8-S11 WeakPolarHBondContact CA-OG 3.44Å; H8-S11 PolarHBondContact O-N 2.9Å; H8-S11 PolarHBondContact O-OG 3.4Å; S11-Y14 WeakPolarHBondContact O-CD1 3.29Å; S11-Y14 WeakPolarHBondContact O-CE1 3.22Å
12M86.3Confident85Confident105 Ų10579.7 Ų79.752%0.51742%0.419SS..THydrogen-bonded Turntrans-93.41.3179.6-71.4178.28300113.6H8 T9 Y10 Y14 L15H8-M12 WeakPolarHBondContact O-CB 3.38Å; H8-M12 VanDerWaalsContact O-CG 3.29Å; H8-M12 WeakPolarHBondContact O-CG 3.17Å; H8-M12 PolarHBondContact O-N 2.87Å; T9-M12 PolarHBondContact O-N 3.34Å; Y10-M12 PolarHBondContact O-N 3.26Å; M12-Y14 PolarHBondContact O-N 2.64Å; M12-Y14 VanDerWaalsContact O-N 3.15Å; M12-L15 HydrophobicContact CB-CD1 3.81Å; M12-L15 HydrophobicContact CB-CG 4.39Å; M12-L15 HydrophobicContact CE-CD1 3.32Å; M12-L15 HydrophobicContact CG-CD1 3.93Å; M12-L15 VanDerWaalsContact O-CB 3.31Å; M12-L15 WeakPolarHBondContact O-CB 3.34Å; M12-L15 WeakPolarHBondContact O-CG 3.14Å; M12-L15 PolarHBondContact O-N 3.2Å; M12-L15 HydrophobicContact SD-CD1 4.47Å
13R92Very high86.2Confident67 Ų6773.7 Ų73.725%0.25339%0.392SS..THydrogen-bonded Turntrans-62.2-22.4-177.7-77176.1176.6-172.6-1.9114.2Y10 L15 P17 Y69Y10-R13 VanDerWaalsContact CD1-CZ 3.42Å; Y10-R13 VanDerWaalsContact CE2-NH2 3.33Å; Y10-R13 WeakPolarHBondContact O-CB 3.46Å; Y10-R13 VanDerWaalsContact O-CG 3.31Å; Y10-R13 WeakPolarHBondContact O-CG 3.44Å; Y10-R13 PolarHBondContact O-N 3.12Å; Y10-R13 VanDerWaalsContact O-N 3.16Å; Y10-R13 PolarHBondContact OH-NH2 2.83Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-P17 VanDerWaalsContact O-CD 3.25Å; R13-P17 WeakPolarHBondContact O-CD 3.42Å; R13-Y69 PolarHBondContact O-OH 3.46Å
14Y94Very high87.5Confident77 Ų7767.6 Ų67.630%0.30236%0.36SS..THydrogen-bonded Turntrans-74.1-20.8175.174.3-91.4000113.2S11 M12 L16 P17 S18 T248S11-Y14 WeakPolarHBondContact O-CD1 3.29Å; S11-Y14 WeakPolarHBondContact O-CE1 3.22Å; M12-Y14 PolarHBondContact O-N 2.64Å; M12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-L16 PolarHBondContact O-N 3.23Å; Y14-P17 VanDerWaalsContact O-CD 3.27Å; Y14-P17 WeakPolarHBondContact O-CD 3.13Å; Y14-S18 WeakPolarHBondContact O-CB 3.41Å; Y14-S18 PolarHBondContact O-N 2.78Å; Y14-S18 PolarHBondContact O-OG 3.37Å; Y14-T248 HydrophobicContact CD1-CG2 3.6Å; Y14-T248 HydrophobicContact CD2-CG2 4.12Å; Y14-T248 HydrophobicContact CE1-CG2 3.99Å; Y14-T248 HydrophobicContact CE2-CG2 4.48Å; Y14-T248 HydrophobicContact CG-CG2 3.68Å
15L94.5Very high88.5Confident63 Ų6364.7 Ų64.733%0.3334%0.34SS..Hα-helixtrans-62.2-46.6-172.2-70.1176.5000112.6M12 R13 S18 V19M12-L15 HydrophobicContact CB-CD1 3.81Å; M12-L15 HydrophobicContact CB-CG 4.39Å; M12-L15 HydrophobicContact CE-CD1 3.32Å; M12-L15 HydrophobicContact CG-CD1 3.93Å; M12-L15 VanDerWaalsContact O-CB 3.31Å; M12-L15 WeakPolarHBondContact O-CB 3.34Å; M12-L15 WeakPolarHBondContact O-CG 3.14Å; M12-L15 PolarHBondContact O-N 3.2Å; M12-L15 HydrophobicContact SD-CD1 4.47Å; R13-L15 VanDerWaalsContact C-N 3.31Å; L15-S18 PolarHBondContact O-N 3.47Å; L15-V19 WeakPolarHBondContact O-CB 3.37Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.23Å; L15-V19 PolarHBondContact O-N 3.36Å
16L94.9Very high89.7Confident99 Ų9959.4 Ų59.452%0.51831%0.312SS..Hα-helixtrans-59.1-53.8178.2171.269.6000111.4Y14 S18 V19 V20 F65 Y69Y14-L16 PolarHBondContact O-N 3.23Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 2.72Å; L16-V19 PolarHBondContact O-N 2.86Å; L16-V20 HydrophobicContact CD1-CG2 3.99Å; L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 3.33Å; L16-F65 HydrophobicContact CG-CE1 4.47Å; L16-Y69 HydrophobicContact CD2-CE2 4.25Å
17P96.9Very high90.8Very high0 Ų057.1 Ų57.10%030%0.298CS..Hα-helixtrans-51.3-48.6171-25.428000113.4R13 Y14 V19 V20 L21 F65 Y69 L251R13-P17 VanDerWaalsContact O-CD 3.25Å; R13-P17 WeakPolarHBondContact O-CD 3.42Å; Y14-P17 VanDerWaalsContact O-CD 3.27Å; Y14-P17 WeakPolarHBondContact O-CD 3.13Å; P17-V19 PolarHBondContact O-N 3.14Å; P17-V20 PolarHBondContact O-N 3.34Å; P17-L21 VanDerWaalsContact O-CB 3.25Å; P17-L21 WeakPolarHBondContact O-CB 3.35Å; P17-L21 WeakPolarHBondContact O-CG 3.47Å; P17-L21 PolarHBondContact O-N 2.86Å; P17-F65 HydrophobicContact CB-CB 4.06Å; P17-F65 HydrophobicContact CB-CD1 3.68Å; P17-F65 HydrophobicContact CB-CE1 4.26Å; P17-F65 HydrophobicContact CB-CG 3.85Å; P17-F65 HydrophobicContact CG-CB 4.46Å; P17-F65 HydrophobicContact CG-CD1 3.64Å; P17-F65 HydrophobicContact CG-CE1 4.21Å; P17-F65 HydrophobicContact CG-CG 4.25Å; P17-Y69 HydrophobicContact CG-CD1 3.88Å; P17-Y69 HydrophobicContact CG-CE1 3.53Å; P17-L251 HydrophobicContact CB-CD1 3.95Å; P17-L251 HydrophobicContact CB-CD2 3.86Å; P17-L251 HydrophobicContact CB-CG 4.43Å; P17-L251 HydrophobicContact CG-CD2 3.98Å
18S95.3Very high91.9Very high37 Ų3752.2 Ų52.226%0.25927%0.272SS..Hα-helixtrans-62.9-44.6-178-63.60000112.5Y14 L15 L16 L22Y14-S18 WeakPolarHBondContact O-CB 3.41Å; Y14-S18 PolarHBondContact O-N 2.78Å; Y14-S18 PolarHBondContact O-OG 3.37Å; L15-S18 PolarHBondContact O-N 3.47Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 2.72Å; S18-L22 VanDerWaalsContact O-CB 3.27Å; S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 WeakPolarHBondContact O-CG 3.13Å; S18-L22 PolarHBondContact O-N 2.95Å
19V95.4Very high92.9Very high101 Ų10147.5 Ų47.561%0.61225%0.252SS*.Hα-helixtrans-63.2-42.4178.1168.80000110.7L15 L16 P17 G23L15-V19 WeakPolarHBondContact O-CB 3.37Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.23Å; L15-V19 PolarHBondContact O-N 3.36Å; L16-V19 PolarHBondContact O-N 2.86Å; P17-V19 PolarHBondContact O-N 3.14Å; V19-G23 WeakPolarHBondContact O-CA 3.18Å; V19-G23 PolarHBondContact O-N 3.44Å
20V97.5Very high93.8Very high27 Ų2746.3 Ų46.316%0.16424%0.242CC..Hα-helixtrans-73.3-46.2179.71770000111.6L16 P17 G23 T24 M61 F65L16-V20 HydrophobicContact CD1-CG2 3.99Å; L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 3.33Å; P17-V20 PolarHBondContact O-N 3.34Å; V20-G23 PolarHBondContact O-N 2.81Å; V20-T24 HydrophobicContact CG1-CG2 4.29Å; V20-T24 WeakPolarHBondContact O-CB 3.32Å; V20-T24 WeakPolarHBondContact O-CG2 3.49Å; V20-T24 PolarHBondContact O-N 3.43Å; V20-T24 PolarHBondContact O-OG1 3.48Å; V20-M61 HydrophobicContact CG1-SD 4.16Å; V20-F65 HydrophobicContact CB-CE2 3.87Å; V20-F65 HydrophobicContact CB-CZ 3.67Å; V20-F65 HydrophobicContact CG1-CE2 3.66Å; V20-F65 HydrophobicContact CG1-CZ 3.72Å; V20-F65 HydrophobicContact CG2-CZ 4Å
21L96.5Very high94.7Very high21 Ų2142.9 Ų42.911%0.1124%0.238CC..Hα-helixtrans-64.5-50-178-68.7178.2000112P17 T24 Y58 M61 V62 F65 F66P17-L21 VanDerWaalsContact O-CB 3.25Å; P17-L21 WeakPolarHBondContact O-CB 3.35Å; P17-L21 WeakPolarHBondContact O-CG 3.47Å; P17-L21 PolarHBondContact O-N 2.86Å; L21-T24 PolarHBondContact O-OG1 3.38Å; L21-T24 VanDerWaalsContact O-OG1 3.04Å; L21-Y58 PolarHBondContact O-OH 3.29Å; L21-M61 HydrophobicContact CD2-CE 3.68Å; L21-M61 HydrophobicContact CD2-CG 4.17Å; L21-V62 HydrophobicContact CD2-CB 4.42Å; L21-V62 HydrophobicContact CD2-CG2 3.82Å; L21-F65 HydrophobicContact CD1-CD2 4.3Å; L21-F65 HydrophobicContact CD2-CD2 3.75Å; L21-F65 HydrophobicContact CD2-CE2 4.14Å; L21-F65 HydrophobicContact CG-CD2 3.89Å; L21-F65 HydrophobicContact CG-CE2 4.28Å; L21-F66 HydrophobicContact CD1-CE2 4.12Å
22L95.1Very high95.5Very high92 Ų9241.5 Ų41.548%0.48222%0.224SC..Hα-helixtrans-71.4-39.6175.5-62.7173.4000110.6S18 T24 A25 Y129 W349S18-L22 VanDerWaalsContact O-CB 3.27Å; S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 WeakPolarHBondContact O-CG 3.13Å; S18-L22 PolarHBondContact O-N 2.95Å; L22-T24 PolarHBondContact O-N 2.84Å; L22-A25 WeakPolarHBondContact O-CB 3.31Å; L22-A25 PolarHBondContact O-N 3.44Å; L22-Y129 HydrophobicContact CD2-CE2 4.45Å; L22-W349 VanDerWaalsContact O-CZ2 3.28Å; L22-W349 WeakPolarHBondContact O-CZ2 3.3Å
23G96.3Very high95.9Very high16 Ų1637.5 Ų37.517%0.16521%0.21CC..Hα-helixtrans-59-33.7-178.500000113.3V19 V20 T332 Y345V19-G23 WeakPolarHBondContact O-CA 3.18Å; V19-G23 PolarHBondContact O-N 3.44Å; V20-G23 PolarHBondContact O-N 2.81Å; G23-T332 WeakPolarHBondContact O-CG2 3.33Å; G23-Y345 WeakPolarHBondContact CA-OH 3.3Å; G23-Y345 WeakPolarHBondContact O-CE2 3.33Å; G23-Y345 PolarHBondContact O-OH 3.15Å
24T97.6Very high96.1Very high3 Ų338.3 Ų38.32%0.01822%0.222CC..THydrogen-bonded Turntrans-83.8-9.3178.752.30000113.8V20 L21 L22 T27 Y28 M61 L328 T332V20-T24 HydrophobicContact CG1-CG2 4.29Å; V20-T24 WeakPolarHBondContact O-CB 3.32Å; V20-T24 WeakPolarHBondContact O-CG2 3.49Å; V20-T24 PolarHBondContact O-N 3.43Å; V20-T24 PolarHBondContact O-OG1 3.48Å; L21-T24 PolarHBondContact O-OG1 3.38Å; L21-T24 VanDerWaalsContact O-OG1 3.04Å; L22-T24 PolarHBondContact O-N 2.84Å; T24-T27 WeakPolarHBondContact O-CB 3.42Å; T24-T27 PolarHBondContact O-N 3.5Å; T24-Y28 PolarHBondContact O-N 2.92Å; T24-M61 HydrophobicContact CG2-CE 4.19Å; T24-M61 HydrophobicContact CG2-SD 3.95Å; T24-M61 WeakPolarHBondContact OG1-CE 3.13Å; T24-L328 HydrophobicContact CG2-CB 4.06Å; T24-T332 WeakPolarHBondContact CG2-OG1 3.39Å
25A96.6Very high96.3Very high0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-58.2-44-175.600000113.8L22 Y28 V29 L128 Y129 W349L22-A25 WeakPolarHBondContact O-CB 3.31Å; L22-A25 PolarHBondContact O-N 3.44Å; A25-Y28 WeakPolarHBondContact O-CB 3.02Å; A25-Y28 PolarHBondContact O-N 2.78Å; A25-V29 WeakPolarHBondContact O-CG2 3.29Å; A25-V29 PolarHBondContact O-N 2.96Å; A25-L128 HydrophobicContact CB-CD1 3.96Å; A25-Y129 HydrophobicContact CB-CE1 4.34Å; A25-Y129 HydrophobicContact CB-CE2 4.08Å; A25-Y129 WeakPolarHBondContact CB-OH 3.5Å; A25-W349 HydrophobicContact CB-CH2 4.19Å; A25-W349 HydrophobicContact CB-CZ2 4.27Å
26P97.2Very high96.3Very high0 Ų038.9 Ų38.90%022%0.219CC..Hα-helixtrans-62.8-43.8176.1-27.539.4000113.2Y28 V29 L30 L128 Y345 T348 W349P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 PolarHBondContact O-N 3.33Å; P26-V29 PolarHBondContact O-N 3.49Å; P26-L30 WeakPolarHBondContact O-CB 3.34Å; P26-L30 VanDerWaalsContact O-CG 3.29Å; P26-L30 WeakPolarHBondContact O-CG 3.21Å; P26-L30 PolarHBondContact O-N 2.85Å; P26-L128 HydrophobicContact CG-CD1 4Å; P26-Y345 HydrophobicContact CB-CD2 3.67Å; P26-Y345 HydrophobicContact CB-CE2 3.7Å; P26-Y345 HydrophobicContact CB-CG 4.42Å; P26-Y345 HydrophobicContact CG-CD2 3.83Å; P26-Y345 HydrophobicContact CG-CE1 4.33Å; P26-Y345 HydrophobicContact CG-CE2 3.4Å; P26-Y345 HydrophobicContact CG-CG 4.48Å; P26-T348 HydrophobicContact CB-CG2 3.74Å; P26-W349 HydrophobicContact CG-CD2 3.98Å; P26-W349 VanDerWaalsContact CG-CE2 3.5Å; P26-W349 HydrophobicContact CG-CG 3.93Å; P26-W349 HydrophobicContact CG-CZ2 4.12Å
27T96.7Very high96.3Very high16 Ų1640.5 Ų40.510%0.09823%0.228CC..Hα-helixtrans-57.2-44.5177.5-47.90000110.5T24 A31 L331 T332 M335T24-T27 WeakPolarHBondContact O-CB 3.42Å; T24-T27 PolarHBondContact O-N 3.5Å; T27-A31 PolarHBondContact O-N 3.08Å; T27-A31 VanDerWaalsContact O-N 3.11Å; T27-L331 HydrophobicContact CG2-CB 3.76Å; T27-T332 WeakPolarHBondContact CB-OG1 3.48Å; T27-T332 WeakPolarHBondContact OG1-CB 3.38Å; T27-T332 PolarHBondContact OG1-OG1 2.95Å; T27-M335 HydrophobicContact CG2-CE 4.27Å; T27-M335 WeakPolarHBondContact OG1-CE 3.29Å
28Y97.3Very high96.2Very high4 Ų446.2 Ų46.22%0.01626%0.258CS..Hα-helixtrans-63.4-49.9176.9178.4-102.7000112.5T24 A25 P26 L30 A31 W32 L54 Y55 Y58 Y132T24-Y28 PolarHBondContact O-N 2.92Å; A25-Y28 WeakPolarHBondContact O-CB 3.02Å; A25-Y28 PolarHBondContact O-N 2.78Å; P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 PolarHBondContact O-N 3.33Å; Y28-L30 VanDerWaalsContact C-N 3.3Å; Y28-L30 PolarHBondContact O-N 3.07Å; Y28-A31 PolarHBondContact O-N 3.38Å; Y28-W32 WeakPolarHBondContact O-CB 3.38Å; Y28-W32 PolarHBondContact O-N 3.38Å; Y28-L54 HydrophobicContact CE2-CB 3.96Å; Y28-L54 WeakPolarHBondContact CE2-O 3.4Å; Y28-Y55 WeakPolarHBondContact OH-CA 3.47Å; Y28-Y55 PolarHBondContact OH-N 2.92Å; Y28-Y58 HydrophobicContact CD1-CD2 4.09Å; Y28-Y58 HydrophobicContact CD1-CE2 4.5Å; Y28-Y58 HydrophobicContact CD1-CG 4.46Å; Y28-Y58 AromaticContact CD2-CD2 3.57Å; Y28-Y58 HydrophobicContact CD2-CD2 3.57Å; Y28-Y58 HydrophobicContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CE2-CD2 4.16Å; Y28-Y58 HydrophobicContact CE2-CG 4.12Å; Y28-Y58 AromaticContact CG-CD2 3.5Å; Y28-Y58 HydrophobicContact CG-CD2 3.5Å; Y28-Y58 HydrophobicContact CG-CE2 4.08Å; Y28-Y58 HydrophobicContact CG-CG 4.16Å; Y28-Y132 HydrophobicContact CE1-CD1 4.07Å; Y28-Y132 HydrophobicContact CE1-CD2 4.25Å; Y28-Y132 AromaticContact CE1-CE1 3.82Å; Y28-Y132 HydrophobicContact CE1-CE1 3.82Å; Y28-Y132 HydrophobicContact CE1-CE2 4.02Å; Y28-Y132 HydrophobicContact CE1-CG 4.3Å; Y28-Y132 AromaticContact CE1-CZ 3.83Å; Y28-Y132 AromaticContact CZ-CZ 3.81Å; Y28-Y132 WeakPolarHBondContact OH-CE1 3.36Å; Y28-Y132 PolarHBondContact OH-OH 3.46Å
29V96.2Very high96.2Very high18 Ų1844.6 Ų44.611%0.10925%0.247CC..Hα-helixtrans-64.7-34.1-179.6168.10000112.1A25 P26 W32 G33 L128 T348A25-V29 WeakPolarHBondContact O-CG2 3.29Å; A25-V29 PolarHBondContact O-N 2.96Å; P26-V29 PolarHBondContact O-N 3.49Å; V29-W32 HydrophobicContact CG1-CE3 4.28Å; V29-G33 WeakPolarHBondContact O-CA 3.37Å; V29-G33 PolarHBondContact O-N 2.94Å; V29-L128 HydrophobicContact CG2-CB 4.06Å; V29-T348 HydrophobicContact CG1-CG2 4.43Å
30L96.4Very high96.1Very high48 Ų4843 Ų4325%0.25124%0.243SC..Hα-helixtrans-64.4-48.5172.8-74.9166.4000111.5P26 Y28 W32 G33 V34 M335 L344 T348P26-L30 WeakPolarHBondContact O-CB 3.34Å; P26-L30 VanDerWaalsContact O-CG 3.29Å; P26-L30 WeakPolarHBondContact O-CG 3.21Å; P26-L30 PolarHBondContact O-N 2.85Å; Y28-L30 VanDerWaalsContact C-N 3.3Å; Y28-L30 PolarHBondContact O-N 3.07Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 2.97Å; L30-G33 PolarHBondContact O-N 3.36Å; L30-V34 WeakPolarHBondContact O-CG2 3.12Å; L30-V34 PolarHBondContact O-N 3.11Å; L30-M335 HydrophobicContact CD1-CE 4.38Å; L30-M335 HydrophobicContact CD1-SD 3.8Å; L30-L344 HydrophobicContact CD1-CD1 4.43Å; L30-L344 HydrophobicContact CD1-CD2 3.95Å; L30-L344 HydrophobicContact CD1-CG 3.86Å; L30-L344 HydrophobicContact CD2-CD1 4.06Å; L30-L344 HydrophobicContact CD2-CG 4.37Å; L30-T348 HydrophobicContact CD1-CG2 4.48Å; L30-T348 HydrophobicContact CD2-CG2 4.36Å; L30-T348 WeakPolarHBondContact CD2-OG1 3.45Å; L30-T348 HydrophobicContact CG-CG2 3.99Å
31A96.3Very high95.9Very high47 Ų4751.1 Ų51.139%0.38828%0.277SS..Hα-helixtrans-60.4-45.1177.900000111.6T27 Y28 W35T27-A31 PolarHBondContact O-N 3.08Å; T27-A31 VanDerWaalsContact O-N 3.11Å; Y28-A31 PolarHBondContact O-N 3.38Å; A31-W35 PolarHBondContact O-N 2.75Å; A31-W35 VanDerWaalsContact O-N 3.14Å
32W96.8Very high95.8Very high31 Ų3154 Ų5412%0.11729%0.292CS..Hα-helixtrans-62.4-44.4173.5166.677000112.2Y28 V29 L30 V34 W35 R36 Y47 L54 Y132 Q135Y28-W32 WeakPolarHBondContact O-CB 3.38Å; Y28-W32 PolarHBondContact O-N 3.38Å; V29-W32 HydrophobicContact CG1-CE3 4.28Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 2.97Å; W32-V34 PolarHBondContact O-N 3.38Å; W32-W35 PolarHBondContact O-N 3.46Å; W32-W35 VanDerWaalsContact O-N 3.17Å; W32-R36 HydrophobicContact CZ2-CB 4.5Å; W32-R36 HydrophobicContact CZ2-CG 4.4Å; W32-R36 WeakPolarHBondContact O-CB 3.35Å; W32-R36 PolarHBondContact O-N 3.21Å; W32-Y47 AromaticContact NE1-CZ 3.99Å; W32-Y47 PolarHBondContact NE1-OH 2.98Å; W32-L54 HydrophobicContact CB-CD1 4.27Å; W32-Y132 AromaticContact CD1-CD2 3.82Å; W32-Y132 AromaticContact CD1-CE2 3.47Å; W32-Y132 VanDerWaalsContact CD1-CE2 3.47Å; W32-Y132 AromaticContact CD2-CD2 3.69Å; W32-Y132 HydrophobicContact CD2-CD2 3.69Å; W32-Y132 HydrophobicContact CD2-CE2 4.16Å; W32-Y132 AromaticContact CE2-CD2 3.67Å; W32-Y132 HydrophobicContact CE3-CD2 4.29Å; W32-Y132 AromaticContact CG-CD2 3.8Å; W32-Y132 HydrophobicContact CG-CD2 3.8Å; W32-Y132 AromaticContact CG-CE2 3.8Å; W32-Y132 HydrophobicContact CG-CE2 3.8Å; W32-Y132 HydrophobicContact CZ2-CD2 4.26Å; W32-Y132 AromaticContact NE1-CD2 3.73Å; W32-Y132 AromaticContact NE1-CE2 3.63Å; W32-Q135 HydrophobicContact CH2-CG 4.31Å; W32-Q135 HydrophobicContact CZ2-CB 3.91Å; W32-Q135 HydrophobicContact CZ2-CG 3.84Å
33G95.3Very high95.6Very high21 Ų2153.1 Ų53.122%0.21629%0.292CS..Hα-helixtrans-62.3-43.8-179.200000112.4V29 L30 W35 R36 L37V29-G33 WeakPolarHBondContact O-CA 3.37Å; V29-G33 PolarHBondContact O-N 2.94Å; L30-G33 PolarHBondContact O-N 3.36Å; G33-W35 VanDerWaalsContact C-N 3.33Å; G33-W35 PolarHBondContact O-N 3.36Å; G33-R36 PolarHBondContact O-N 3.25Å; G33-L37 WeakPolarHBondContact O-CG 3.31Å; G33-L37 PolarHBondContact O-N 2.86Å
34V95.7Very high95.3Very high84 Ų8455.1 Ų55.151%0.50931%0.307SS..Hα-helixtrans-58.1-47.7172.5170.10000110.3L30 W32 R36 L37 L38L30-V34 WeakPolarHBondContact O-CG2 3.12Å; L30-V34 PolarHBondContact O-N 3.11Å; W32-V34 PolarHBondContact O-N 3.38Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.39Å; V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 HydrophobicContact CG1-CG 4.28Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 2.77Å
35W96.9Very high95Very high48 Ų4862.5 Ų62.518%0.18233%0.334CS..Hα-helixtrans-63.7-40.4178.4177.7-124.1000112.8A31 W32 G33 L37 L38 S39 L42 F46 Y47 L50 L54A31-W35 PolarHBondContact O-N 2.75Å; A31-W35 VanDerWaalsContact O-N 3.14Å; W32-W35 PolarHBondContact O-N 3.46Å; W32-W35 VanDerWaalsContact O-N 3.17Å; G33-W35 VanDerWaalsContact C-N 3.33Å; G33-W35 PolarHBondContact O-N 3.36Å; W35-L37 VanDerWaalsContact C-N 3.25Å; W35-L37 PolarHBondContact O-N 2.98Å; W35-L38 HydrophobicContact CE3-CB 4.22Å; W35-L38 HydrophobicContact CZ3-CB 4.46Å; W35-L38 PolarHBondContact O-N 3.44Å; W35-S39 VanDerWaalsContact O-CB 3.31Å; W35-S39 WeakPolarHBondContact O-CB 3.23Å; W35-S39 PolarHBondContact O-N 3.26Å; W35-S39 PolarHBondContact O-OG 3.49Å; W35-L42 HydrophobicContact CH2-CD1 4.18Å; W35-F46 WeakPolarHBondContact CZ2-O 3.47Å; W35-Y47 AromaticContact CD1-CD2 3.84Å; W35-Y47 AromaticContact NE1-CD2 3.7Å; W35-Y47 PolarHBondContact NE1-O 2.91Å; W35-Y47 VanDerWaalsContact NE1-O 3.07Å; W35-L50 HydrophobicContact CB-CD2 4.37Å; W35-L50 HydrophobicContact CD2-CB 4.27Å; W35-L50 HydrophobicContact CD2-CD2 3.32Å; W35-L50 HydrophobicContact CD2-CG 4.23Å; W35-L50 HydrophobicContact CE3-CD2 3.57Å; W35-L50 HydrophobicContact CG-CD2 3.67Å; W35-L50 HydrophobicContact CG-CG 4.3Å; W35-L50 HydrophobicContact CH2-CD2 4.19Å; W35-L50 HydrophobicContact CZ2-CB 3.83Å; W35-L50 HydrophobicContact CZ2-CD2 3.96Å; W35-L50 HydrophobicContact CZ3-CD2 4.01Å; W35-L54 HydrophobicContact CB-CD1 4.44Å
36R94.8Very high94.7Very high103 Ų10367.1 Ų67.139%0.38935%0.354SS..Hα-helixtrans-60.1-37.6177.6-178.960.6-176.7178.52.9111.8W32 G33 V34 Y47W32-R36 HydrophobicContact CZ2-CB 4.5Å; W32-R36 HydrophobicContact CZ2-CG 4.4Å; W32-R36 WeakPolarHBondContact O-CB 3.35Å; W32-R36 PolarHBondContact O-N 3.21Å; G33-R36 PolarHBondContact O-N 3.25Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.97Å; R36-Y47 HydrophobicContact CB-CE2 4.3Å
37L95Very high94.6Very high133 Ų13367.7 Ų67.770%0.69636%0.357SS*.Hα-helixtrans-71.3-49.3175.5-68.3171.7000111.7G33 V34 W35 S39 A40G33-L37 WeakPolarHBondContact O-CG 3.31Å; G33-L37 PolarHBondContact O-N 2.86Å; V34-L37 PolarHBondContact O-N 3.39Å; W35-L37 VanDerWaalsContact C-N 3.25Å; W35-L37 PolarHBondContact O-N 2.98Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3.34Å; L37-A40 VanDerWaalsContact O-CB 3.31Å; L37-A40 WeakPolarHBondContact O-CB 3.46Å; L37-A40 PolarHBondContact O-N 3.26Å
38L95.7Very high94.5Very high120 Ų12067.8 Ų67.863%0.62836%0.356SS*.Hα-helixtrans-64.5-31.5-177.7-68.2176.9000113.1V34 W35V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 HydrophobicContact CG1-CG 4.28Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 2.77Å; W35-L38 HydrophobicContact CE3-CB 4.22Å; W35-L38 HydrophobicContact CZ3-CB 4.46Å; W35-L38 PolarHBondContact O-N 3.44Å
39S95.4Very high94.3Very high4 Ų469.6 Ų69.63%0.02837%0.372CS..THydrogen-bonded Turntrans-90.21.3-179.561.50000114.5W35 L37 F41 L42 Y47W35-S39 VanDerWaalsContact O-CB 3.31Å; W35-S39 WeakPolarHBondContact O-CB 3.23Å; W35-S39 PolarHBondContact O-N 3.26Å; W35-S39 PolarHBondContact O-OG 3.49Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 3.34Å; S39-F41 PolarHBondContact O-N 3.47Å; S39-F41 VanDerWaalsContact O-N 3.1Å; S39-L42 PolarHBondContact O-N 2.96Å; S39-Y47 WeakPolarHBondContact OG-CD2 3.05Å
40A93.9Very high94.3Very high66 Ų6671.4 Ų71.455%0.54538%0.381SS..THydrogen-bonded Turntrans-59.1-27.4-174.400000114.1L37L37-A40 VanDerWaalsContact O-CB 3.31Å; L37-A40 WeakPolarHBondContact O-CB 3.46Å; L37-A40 PolarHBondContact O-N 3.26Å
41F93.5Very high94.3Very high198 Ų19869.1 Ų69.187%0.86837%0.369SS*.THydrogen-bonded Turntrans-104.65.2179.3-53.9-74.1000113.3S39S39-F41 PolarHBondContact O-N 3.47Å; S39-F41 VanDerWaalsContact O-N 3.1Å
42L93.5Very high94.4Very high83 Ų8367.4 Ų67.444%0.43535%0.353SS..SBendtrans-96.2153.9178.9-57.1-178.5000110.6W35 S39 A44 F46W35-L42 HydrophobicContact CH2-CD1 4.18Å; S39-L42 PolarHBondContact O-N 2.96Å; L42-A44 PolarHBondContact O-N 3.02Å; L42-F46 HydrophobicContact CB-CB 4.28Å; L42-F46 HydrophobicContact CB-CD2 4.36Å; L42-F46 HydrophobicContact CD1-CB 4.4Å
43P91.5Very high94.4Very high73 Ų7373.6 Ų73.647%0.47438%0.376SS..  trans-52.4139.6169.5-27.934.3000112.3R45 F46P43-R45 HydrophobicContact CB-CG 4.22Å; P43-R45 PolarHBondContact O-N 3.32Å; P43-F46 HydrophobicContact CB-CD2 3.83Å; P43-F46 HydrophobicContact CB-CE2 4.06Å; P43-F46 HydrophobicContact CG-CD2 3.97Å; P43-F46 HydrophobicContact CG-CE2 3.86Å; P43-F46 PolarHBondContact O-N 2.71Å
44A89Confident94.5Very high57 Ų5774.3 Ų74.347%0.47138%0.375SS..Hα-helixtrans-52.2-34.3-172.200000114.2L42 F46 Y47 Q48L42-A44 PolarHBondContact O-N 3.02Å; A44-F46 PolarHBondContact O-N 2.81Å; A44-Y47 WeakPolarHBondContact O-CB 3.35Å; A44-Y47 PolarHBondContact O-N 3.13Å; A44-Y47 VanDerWaalsContact O-N 3.14Å; A44-Q48 WeakPolarHBondContact O-CG 3.35Å; A44-Q48 PolarHBondContact O-N 3.24Å; A44-Q48 PolarHBondContact O-OE1 2.92Å
45R90.5Very high94.6Very high158 Ų15870.6 Ų70.660%0.59635%0.352SS*.Hα-helixtrans-55-34.217667.8-179.3-176.2-179.6-1.5113.7P43 A49P43-R45 HydrophobicContact CB-CG 4.22Å; P43-R45 PolarHBondContact O-N 3.32Å; R45-A49 VanDerWaalsContact O-CB 3.27Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.1Å
46F92.2Very high94.7Very high97 Ų9770.5 Ų70.543%0.42536%0.358SS..Hα-helixtrans-72.1-45.4178.6-67.9-73.1000110.6W35 L42 P43 A44 Q48 A49 L50W35-F46 WeakPolarHBondContact CZ2-O 3.47Å; L42-F46 HydrophobicContact CB-CB 4.28Å; L42-F46 HydrophobicContact CB-CD2 4.36Å; L42-F46 HydrophobicContact CD1-CB 4.4Å; P43-F46 HydrophobicContact CB-CD2 3.83Å; P43-F46 HydrophobicContact CB-CE2 4.06Å; P43-F46 HydrophobicContact CG-CD2 3.97Å; P43-F46 HydrophobicContact CG-CE2 3.86Å; P43-F46 PolarHBondContact O-N 2.71Å; A44-F46 PolarHBondContact O-N 2.81Å; F46-Q48 PolarHBondContact O-N 3.32Å; F46-A49 PolarHBondContact O-N 2.79Å; F46-L50 PolarHBondContact O-N 3.48Å
47Y94Very high94.8Very high13 Ų1367.7 Ų67.75%0.05135%0.352CS..Hα-helixtrans-54.9-53.3174165.9-101.9000110.5W32 W35 R36 S39 A44 A49 L50 D51W32-Y47 AromaticContact NE1-CZ 3.99Å; W32-Y47 PolarHBondContact NE1-OH 2.98Å; W35-Y47 AromaticContact CD1-CD2 3.84Å; W35-Y47 AromaticContact NE1-CD2 3.7Å; W35-Y47 PolarHBondContact NE1-O 2.91Å; W35-Y47 VanDerWaalsContact NE1-O 3.07Å; R36-Y47 HydrophobicContact CB-CE2 4.3Å; S39-Y47 WeakPolarHBondContact OG-CD2 3.05Å; A44-Y47 WeakPolarHBondContact O-CB 3.35Å; A44-Y47 PolarHBondContact O-N 3.13Å; A44-Y47 VanDerWaalsContact O-N 3.14Å; Y47-A49 PolarHBondContact O-N 3.28Å; Y47-L50 PolarHBondContact O-N 3.37Å; Y47-D51 HydrophobicContact CE1-CB 4.32Å; Y47-D51 HydrophobicContact CE2-CB 4.35Å; Y47-D51 WeakPolarHBondContact O-CB 3.4Å; Y47-D51 PolarHBondContact O-N 3.38Å
48Q94.1Very high95Very high17 Ų1761.9 Ų61.98%0.07932%0.321CS..Hα-helixtrans-58.9-43.7-178.4-70.9160.3-20.800112A44 F46 L50 D51 D52 Y159 T164A44-Q48 WeakPolarHBondContact O-CG 3.35Å; A44-Q48 PolarHBondContact O-N 3.24Å; A44-Q48 PolarHBondContact O-OE1 2.92Å; F46-Q48 PolarHBondContact O-N 3.32Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; Q48-L50 PolarHBondContact O-N 2.83Å; Q48-D51 PolarHBondContact O-N 3.39Å; Q48-D52 WeakPolarHBondContact O-CB 3.28Å; Q48-D52 PolarHBondContact O-N 3.22Å; Q48-Y159 HydrophobicContact CG-CE1 4.37Å; Q48-T164 HydrophobicContact CB-CG2 4.46Å; Q48-T164 PolarHBondContact NE2-OG1 3.34Å; Q48-T164 PolarHBondContact OE1-OG1 3.31Å
49A94.3Very high95.1Very high43 Ų4356.4 Ų56.436%0.35529%0.293SS..Hα-helixtrans-62.2-35.3-178.200000114R45 F46 Y47 R53R45-A49 VanDerWaalsContact O-CB 3.27Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.1Å; F46-A49 PolarHBondContact O-N 2.79Å; Y47-A49 PolarHBondContact O-N 3.28Å; A49-R53 WeakPolarHBondContact O-CG 3.45Å
50L95.7Very high95.3Very high56 Ų5656.5 Ų56.529%0.29329%0.293SS..Hα-helixtrans-87.9-31.7175.5-174.167.3000112.3W35 F46 Y47 Q48 D52 R53 L54W35-L50 HydrophobicContact CB-CD2 4.37Å; W35-L50 HydrophobicContact CD2-CB 4.27Å; W35-L50 HydrophobicContact CD2-CD2 3.32Å; W35-L50 HydrophobicContact CD2-CG 4.23Å; W35-L50 HydrophobicContact CE3-CD2 3.57Å; W35-L50 HydrophobicContact CG-CD2 3.67Å; W35-L50 HydrophobicContact CG-CG 4.3Å; W35-L50 HydrophobicContact CH2-CD2 4.19Å; W35-L50 HydrophobicContact CZ2-CB 3.83Å; W35-L50 HydrophobicContact CZ2-CD2 3.96Å; W35-L50 HydrophobicContact CZ3-CD2 4.01Å; F46-L50 PolarHBondContact O-N 3.48Å; Y47-L50 PolarHBondContact O-N 3.37Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; Q48-L50 PolarHBondContact O-N 2.83Å; L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 2.97Å; L50-R53 HydrophobicContact CD1-CB 4.26Å; L50-R53 WeakPolarHBondContact O-CB 3.27Å; L50-R53 PolarHBondContact O-N 2.84Å; L50-R53 VanDerWaalsContact O-N 3.11Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.73Å
51D97.1Very high95.5Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-57.6-44.5171-177.847.4000111.2Y47 Q48 R53 L54 Y55 Y132 H136Y47-D51 HydrophobicContact CE1-CB 4.32Å; Y47-D51 HydrophobicContact CE2-CB 4.35Å; Y47-D51 WeakPolarHBondContact O-CB 3.4Å; Y47-D51 PolarHBondContact O-N 3.38Å; Q48-D51 PolarHBondContact O-N 3.39Å; D51-R53 VanDerWaalsContact C-N 3.28Å; D51-R53 PolarHBondContact O-N 3.48Å; D51-L54 PolarHBondContact O-N 2.68Å; D51-Y55 WeakPolarHBondContact O-CB 3.2Å; D51-Y55 PolarHBondContact O-N 3.33Å; D51-Y132 WeakPolarHBondContact OD1-CE2 3.28Å; D51-Y132 PolarHBondContact OD1-OH 2.83Å; D51-Y132 VanDerWaalsContact OD1-OH 3.08Å; D51-H136 IonicContact OD1-ND1 2.6Å; D51-H136 IonicContact OD2-CE1 3.55Å; D51-H136 IonicContact OD2-CG 3.45Å; D51-H136 IonicContact OD2-ND1 2.71Å; D51-H136 PolarHBondContact OD2-ND1 3.29Å
52D97.2Very high95.7Very high11 Ų1144.2 Ų44.26%0.05923%0.227CC..Hα-helixtrans-59.4-37.2173.9-76.99.2000112.8Q48 L50 C56 G113 H114 R116 H136Q48-D52 WeakPolarHBondContact O-CB 3.28Å; Q48-D52 PolarHBondContact O-N 3.22Å; L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 2.97Å; D52-C56 WeakPolarHBondContact O-CB 3.45Å; D52-C56 PolarHBondContact O-N 3.03Å; D52-G113 WeakPolarHBondContact CB-O 2.84Å; D52-G113 WeakPolarHBondContact O-CA 3.06Å; D52-H114 IonicContact OD2-CE1 2.84Å; D52-H114 PolarHBondContact OD2-CE1 3.02Å; D52-H114 IonicContact OD2-CG 3.6Å; D52-H114 IonicContact OD2-ND1 3.64Å; D52-H114 PolarHBondContact OD2-ND1 3.43Å; D52-R116 IonicContact OD1-CZ 3.68Å; D52-R116 IonicContact OD1-NH1 2.74Å; D52-R116 IonicContact OD1-NH2 3.71Å; D52-R116 PolarHBondContact OD1-NH2 3.48Å; D52-H136 IonicContact OD1-CE1 4Å
53R97.3Very high96Very high160 Ų16040.2 Ų40.260%0.60421%0.207SC*.Hα-helixtrans-69.5-43.5176.3-71176.6-179.2121.6-4.3111.1A49 L50 D51 C56 V57A49-R53 WeakPolarHBondContact O-CG 3.45Å; L50-R53 HydrophobicContact CD1-CB 4.26Å; L50-R53 WeakPolarHBondContact O-CB 3.27Å; L50-R53 PolarHBondContact O-N 2.84Å; L50-R53 VanDerWaalsContact O-N 3.11Å; D51-R53 VanDerWaalsContact C-N 3.28Å; D51-R53 PolarHBondContact O-N 3.48Å; R53-C56 WeakPolarHBondContact O-CB 3.48Å; R53-C56 PolarHBondContact O-N 3.11Å; R53-V57 WeakPolarHBondContact O-CG2 3.44Å; R53-V57 PolarHBondContact O-N 3.24Å
54L97.7Very high96.3Very high37 Ų3738.1 Ų38.119%0.19419%0.19CC..Hα-helixtrans-60.5-47.7175.4-70.7176000110.4Y28 W32 W35 L50 D51 C56 V57 Y58Y28-L54 HydrophobicContact CE2-CB 3.96Å; Y28-L54 WeakPolarHBondContact CE2-O 3.4Å; W32-L54 HydrophobicContact CB-CD1 4.27Å; W35-L54 HydrophobicContact CB-CD1 4.44Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.73Å; D51-L54 PolarHBondContact O-N 2.68Å; L54-C56 VanDerWaalsContact C-N 3.35Å; L54-C56 PolarHBondContact O-N 2.99Å; L54-V57 PolarHBondContact O-N 2.91Å; L54-Y58 PolarHBondContact O-N 2.62Å
55Y97.9Very high96.8Very high6 Ų635.6 Ų35.62%0.02417%0.168CC..Hα-helixtrans-58.6-45.7175.9-169.1-99000112.3Y28 D51 V57 Y58 Q59 L112 V115 Y117 Y132 H136Y28-Y55 WeakPolarHBondContact OH-CA 3.47Å; Y28-Y55 PolarHBondContact OH-N 2.92Å; D51-Y55 WeakPolarHBondContact O-CB 3.2Å; D51-Y55 PolarHBondContact O-N 3.33Å; Y55-V57 VanDerWaalsContact C-N 3.3Å; Y55-V57 PolarHBondContact O-N 3.04Å; Y55-Y58 PolarHBondContact O-N 2.8Å; Y55-Y58 VanDerWaalsContact O-N 3.16Å; Y55-Q59 HydrophobicContact CD1-CG 3.72Å; Y55-Q59 HydrophobicContact CD2-CG 4.39Å; Y55-Q59 HydrophobicContact CE1-CB 4.47Å; Y55-Q59 HydrophobicContact CE1-CG 3.34Å; Y55-Q59 HydrophobicContact CE2-CG 4.08Å; Y55-Q59 HydrophobicContact CG-CG 4.26Å; Y55-Q59 PolarHBondContact O-N 2.88Å; Y55-Q59 PolarHBondContact OH-NE2 3.14Å; Y55-L112 VanDerWaalsContact CD1-O 3.29Å; Y55-L112 WeakPolarHBondContact CD1-O 3.29Å; Y55-L112 WeakPolarHBondContact CE1-O 3.17Å; Y55-V115 HydrophobicContact CE1-CB 4.29Å; Y55-Y117 WeakPolarHBondContact OH-CE2 3.47Å; Y55-Y132 AromaticContact CD2-CE1 3.81Å; Y55-Y132 HydrophobicContact CD2-CE1 3.81Å; Y55-Y132 WeakPolarHBondContact CD2-OH 3.27Å; Y55-Y132 HydrophobicContact CE2-CE1 4.18Å; Y55-H136 WeakPolarHBondContact CB-CE1 3.38Å; Y55-H136 WeakPolarHBondContact CB-NE2 3.21Å; Y55-H136 AromaticContact CD1-NE2 3.27Å; Y55-H136 VanDerWaalsContact CD1-NE2 3.27Å; Y55-H136 WeakPolarHBondContact CD1-NE2 3.41Å; Y55-H136 AromaticContact CD2-CD2 3.27Å; Y55-H136 WeakPolarHBondContact CD2-CD2 3.36Å; Y55-H136 AromaticContact CD2-CE1 3.88Å; Y55-H136 AromaticContact CD2-CG 3.88Å; Y55-H136 AromaticContact CD2-NE2 3.27Å; Y55-H136 VanDerWaalsContact CD2-NE2 3.27Å; Y55-H136 WeakPolarHBondContact CD2-NE2 3.42Å; Y55-H136 AromaticContact CE1-NE2 3.69Å; Y55-H136 AromaticContact CE2-CD2 3.39Å; Y55-H136 WeakPolarHBondContact CE2-CD2 3.39Å; Y55-H136 AromaticContact CE2-NE2 3.69Å; Y55-H136 AromaticContact CG-CD2 3.59Å; Y55-H136 AromaticContact CG-CE1 3.5Å; Y55-H136 VanDerWaalsContact CG-CE1 3.5Å; Y55-H136 AromaticContact CG-NE2 3.01Å; Y55-H136 AromaticContact CZ-CD2 3.82Å; Y55-H136 AromaticContact CZ-NE2 3.87Å
56C98.1Very high97.1Very high45 Ų4528.1 Ų28.130%0.30414%0.14SC..Hα-helixtrans-56.7-43.2175.2-176.60000111.9D52 R53 L54 S60D52-C56 WeakPolarHBondContact O-CB 3.45Å; D52-C56 PolarHBondContact O-N 3.03Å; R53-C56 WeakPolarHBondContact O-CB 3.48Å; R53-C56 PolarHBondContact O-N 3.11Å; L54-C56 VanDerWaalsContact C-N 3.35Å; L54-C56 PolarHBondContact O-N 2.99Å; C56-S60 WeakPolarHBondContact O-CB 3.24Å; C56-S60 PolarHBondContact O-N 3.18Å; C56-S60 PolarHBondContact O-OG 2.92Å
57V98.2Very high97.4Very high44 Ų4423.8 Ų23.827%0.26712%0.121SC..Hα-helixtrans-62.3-48.2176172.30000110.7R53 L54 Y55 S60 M61 S324 L328R53-V57 WeakPolarHBondContact O-CG2 3.44Å; R53-V57 PolarHBondContact O-N 3.24Å; L54-V57 PolarHBondContact O-N 2.91Å; Y55-V57 VanDerWaalsContact C-N 3.3Å; Y55-V57 PolarHBondContact O-N 3.04Å; V57-S60 PolarHBondContact O-N 3.21Å; V57-M61 PolarHBondContact O-N 2.95Å; V57-S324 WeakPolarHBondContact O-CB 3.39Å; V57-L328 HydrophobicContact CG1-CD1 3.92Å; V57-L328 HydrophobicContact CG1-CD2 4.38Å; V57-L328 HydrophobicContact CG1-CG 3.93Å
58Y98.4Very high97.6Very high11 Ų1125 Ų254%0.04313%0.129CC..Hα-helixtrans-63.2-48.6-179.1-164.5-91.6000112.4L21 Y28 L54 Y55 S60 M61 V62 Y129 L328L21-Y58 PolarHBondContact O-OH 3.29Å; Y28-Y58 HydrophobicContact CD1-CD2 4.09Å; Y28-Y58 HydrophobicContact CD1-CE2 4.5Å; Y28-Y58 HydrophobicContact CD1-CG 4.46Å; Y28-Y58 AromaticContact CD2-CD2 3.57Å; Y28-Y58 HydrophobicContact CD2-CD2 3.57Å; Y28-Y58 HydrophobicContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CE2-CD2 4.16Å; Y28-Y58 HydrophobicContact CE2-CG 4.12Å; Y28-Y58 AromaticContact CG-CD2 3.5Å; Y28-Y58 HydrophobicContact CG-CD2 3.5Å; Y28-Y58 HydrophobicContact CG-CE2 4.08Å; Y28-Y58 HydrophobicContact CG-CG 4.16Å; L54-Y58 PolarHBondContact O-N 2.62Å; Y55-Y58 PolarHBondContact O-N 2.8Å; Y55-Y58 VanDerWaalsContact O-N 3.16Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 3.27Å; Y58-M61 HydrophobicContact CD2-CE 4.13Å; Y58-M61 HydrophobicContact CE2-CE 3.78Å; Y58-M61 WeakPolarHBondContact O-CB 3.43Å; Y58-M61 PolarHBondContact O-N 2.97Å; Y58-V62 HydrophobicContact CD1-CG2 4.24Å; Y58-V62 HydrophobicContact CE1-CG2 4.08Å; Y58-V62 PolarHBondContact O-N 2.77Å; Y58-Y129 AromaticContact CE1-CE1 3.98Å; Y58-Y129 HydrophobicContact CE1-CE1 3.98Å; Y58-Y129 AromaticContact CZ-CE1 3.9Å; Y58-Y129 PolarHBondContact OH-OH 3.26Å; Y58-L328 HydrophobicContact CD2-CD1 3.89Å
59Q98.4Very high97.7Very high6 Ų626.7 Ų26.73%0.02814%0.135CC..Hα-helixtrans-69.8-29.5179-64.1-53.5-16.500113Y55 M61 V62 L63 D103 L112Y55-Q59 HydrophobicContact CD1-CG 3.72Å; Y55-Q59 HydrophobicContact CD2-CG 4.39Å; Y55-Q59 HydrophobicContact CE1-CB 4.47Å; Y55-Q59 HydrophobicContact CE1-CG 3.34Å; Y55-Q59 HydrophobicContact CE2-CG 4.08Å; Y55-Q59 HydrophobicContact CG-CG 4.26Å; Y55-Q59 PolarHBondContact O-N 2.88Å; Y55-Q59 PolarHBondContact OH-NE2 3.14Å; Q59-M61 VanDerWaalsContact C-N 3.26Å; Q59-M61 PolarHBondContact O-N 2.9Å; Q59-V62 WeakPolarHBondContact O-CB 3.3Å; Q59-V62 PolarHBondContact O-N 3.09Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; Q59-L63 WeakPolarHBondContact O-CG 3.11Å; Q59-L63 PolarHBondContact O-N 3.22Å; Q59-D103 PolarHBondContact OE1-OD2 3.08Å; Q59-L112 HydrophobicContact CB-CD1 3.81Å; Q59-L112 HydrophobicContact CB-CD2 3.59Å; Q59-L112 HydrophobicContact CB-CG 3.69Å; Q59-L112 HydrophobicContact CG-CD1 4.47Å
60S98.6Very high97.8Very high5 Ų525.1 Ų25.14%0.03512%0.121CC..Hα-helixtrans-64-34.3172.7-64.30000111.7C56 V57 Y58 F64 L112 T321 S324C56-S60 WeakPolarHBondContact O-CB 3.24Å; C56-S60 PolarHBondContact O-N 3.18Å; C56-S60 PolarHBondContact O-OG 2.92Å; V57-S60 PolarHBondContact O-N 3.21Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 3.27Å; S60-F64 PolarHBondContact O-N 3.46Å; S60-L112 WeakPolarHBondContact OG-CD2 3.48Å; S60-T321 VanDerWaalsContact O-CB 3.24Å; S60-T321 WeakPolarHBondContact O-CB 3.08Å; S60-T321 WeakPolarHBondContact O-CG2 3.3Å; S60-S324 WeakPolarHBondContact CB-OG 3.34Å
61M98.5Very high97.8Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-69.8-38.6170.3175.9-17573.900112V20 L21 T24 V57 Y58 Q59 L63 F64 F65 M325 L328V20-M61 HydrophobicContact CG1-SD 4.16Å; L21-M61 HydrophobicContact CD2-CE 3.68Å; L21-M61 HydrophobicContact CD2-CG 4.17Å; T24-M61 HydrophobicContact CG2-CE 4.19Å; T24-M61 HydrophobicContact CG2-SD 3.95Å; T24-M61 WeakPolarHBondContact OG1-CE 3.13Å; V57-M61 PolarHBondContact O-N 2.95Å; Y58-M61 HydrophobicContact CD2-CE 4.13Å; Y58-M61 HydrophobicContact CE2-CE 3.78Å; Y58-M61 WeakPolarHBondContact O-CB 3.43Å; Y58-M61 PolarHBondContact O-N 2.97Å; Q59-M61 VanDerWaalsContact C-N 3.26Å; Q59-M61 PolarHBondContact O-N 2.9Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 2.61Å; M61-F64 VanDerWaalsContact O-CB 3.28Å; M61-F64 WeakPolarHBondContact O-CB 3.43Å; M61-F64 PolarHBondContact O-N 3.38Å; M61-F65 HydrophobicContact CG-CE2 4.23Å; M61-F65 WeakPolarHBondContact O-CD2 3.45Å; M61-F65 PolarHBondContact O-N 3.46Å; M61-M325 HydrophobicContact CB-CB 4.31Å; M61-M325 HydrophobicContact CG-CB 3.96Å; M61-M325 HydrophobicContact CG-CG 4.01Å; M61-L328 HydrophobicContact CB-CD1 4.14Å; M61-L328 HydrophobicContact CE-CD1 3.78Å; M61-L328 HydrophobicContact SD-CB 3.77Å; M61-L328 HydrophobicContact SD-CD1 3.78Å; M61-L328 HydrophobicContact SD-CG 4.44Å
62V98.5Very high97.8Very high6 Ų625.8 Ų25.84%0.03614%0.139CC..Hα-helixtrans-56.1-51.7171174.20000109.9L21 Y58 Q59 F64 F65 F66 W99L21-V62 HydrophobicContact CD2-CB 4.42Å; L21-V62 HydrophobicContact CD2-CG2 3.82Å; Y58-V62 HydrophobicContact CD1-CG2 4.24Å; Y58-V62 HydrophobicContact CE1-CG2 4.08Å; Y58-V62 PolarHBondContact O-N 2.77Å; Q59-V62 WeakPolarHBondContact O-CB 3.3Å; Q59-V62 PolarHBondContact O-N 3.09Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; V62-F64 VanDerWaalsContact C-N 3.25Å; V62-F64 PolarHBondContact O-N 2.8Å; V62-F65 PolarHBondContact O-N 3.19Å; V62-F66 HydrophobicContact CG1-CD2 3.75Å; V62-F66 HydrophobicContact CG1-CE2 4.03Å; V62-F66 WeakPolarHBondContact O-CD2 2.76Å; V62-F66 PolarHBondContact O-N 2.79Å; V62-F66 VanDerWaalsContact O-N 3.07Å; V62-W99 HydrophobicContact CG1-CH2 3.81Å; V62-W99 HydrophobicContact CG1-CZ3 4.2Å
63L98.6Very high97.9Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-64-26.6179.7-66.9-176000113.9Q59 M61 F65 F66 E67 I100 D103 I104 I107 L112 L316 T321Q59-L63 WeakPolarHBondContact O-CG 3.11Å; Q59-L63 PolarHBondContact O-N 3.22Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 2.61Å; L63-F65 VanDerWaalsContact C-N 3.26Å; L63-F65 PolarHBondContact O-N 3.03Å; L63-F66 PolarHBondContact O-N 3.17Å; L63-E67 WeakPolarHBondContact O-CB 3.45Å; L63-E67 PolarHBondContact O-N 3.49Å; L63-I100 HydrophobicContact CD2-CG2 3.7Å; L63-D103 HydrophobicContact CD1-CB 4.17Å; L63-D103 HydrophobicContact CD2-CB 3.94Å; L63-D103 HydrophobicContact CG-CB 4.3Å; L63-I104 HydrophobicContact CD2-CG1 3.69Å; L63-I107 HydrophobicContact CD1-CB 3.71Å; L63-I107 HydrophobicContact CD1-CD1 3.81Å; L63-I107 HydrophobicContact CD1-CG1 4.33Å; L63-I107 HydrophobicContact CD1-CG2 3.51Å; L63-L112 HydrophobicContact CD1-CD1 4.33Å; L63-L112 HydrophobicContact CD1-CD2 4.11Å; L63-L316 HydrophobicContact CB-CD2 4.25Å; L63-T321 HydrophobicContact CB-CG2 3.98Å
64F98.6Very high97.9Very high29 Ų2920.8 Ų20.813%0.12712%0.122CC..Iπ-helixtrans-54.5-47.6168.2179.6-96.2000110.6S60 M61 V62 N68 Y69 I318 L322 M325S60-F64 PolarHBondContact O-N 3.46Å; M61-F64 VanDerWaalsContact O-CB 3.28Å; M61-F64 WeakPolarHBondContact O-CB 3.43Å; M61-F64 PolarHBondContact O-N 3.38Å; V62-F64 VanDerWaalsContact C-N 3.25Å; V62-F64 PolarHBondContact O-N 2.8Å; F64-N68 HydrophobicContact CD2-CB 4.1Å; F64-N68 HydrophobicContact CE2-CB 4.32Å; F64-N68 CarbonylContact O-C 3.5Å; F64-N68 WeakPolarHBondContact O-CA 3.42Å; F64-N68 WeakPolarHBondContact O-CB 3.44Å; F64-N68 PolarHBondContact O-N 2.93Å; F64-N68 VanDerWaalsContact O-N 3.08Å; F64-Y69 PolarHBondContact O-N 3.07Å; F64-I318 HydrophobicContact CE2-CD1 4.4Å; F64-I318 HydrophobicContact CE2-CG1 4.43Å; F64-L322 HydrophobicContact CD2-CB 4.35Å; F64-L322 HydrophobicContact CD2-CD1 4.47Å; F64-L322 HydrophobicContact CE2-CB 4.3Å; F64-L322 HydrophobicContact CE2-CD1 3.84Å; F64-L322 HydrophobicContact CZ-CD1 4.33Å; F64-M325 HydrophobicContact CB-CB 4.27Å; F64-M325 HydrophobicContact CD1-CB 4.38Å; F64-M325 HydrophobicContact CD1-CE 4.21Å; F64-M325 HydrophobicContact CD1-CG 3.9Å; F64-M325 HydrophobicContact CE1-CE 3.68Å; F64-M325 HydrophobicContact CE1-CG 4.3Å; F64-M325 HydrophobicContact CE2-CE 4.22Å; F64-M325 HydrophobicContact CG-CB 4.15Å; F64-M325 HydrophobicContact CG-CG 4.19Å; F64-M325 HydrophobicContact CZ-CE 3.68Å
65F98.2Very high97.9Very high4 Ų419.8 Ų19.82%0.01812%0.117CC..Iπ-helixtrans-74.8-37.5-178.1-71.6-69.6000113.1L16 P17 V20 L21 M61 V62 L63 Y69 T70 L251 M325L16-F65 HydrophobicContact CG-CE1 4.47Å; P17-F65 HydrophobicContact CB-CB 4.06Å; P17-F65 HydrophobicContact CB-CD1 3.68Å; P17-F65 HydrophobicContact CB-CE1 4.26Å; P17-F65 HydrophobicContact CB-CG 3.85Å; P17-F65 HydrophobicContact CG-CB 4.46Å; P17-F65 HydrophobicContact CG-CD1 3.64Å; P17-F65 HydrophobicContact CG-CE1 4.21Å; P17-F65 HydrophobicContact CG-CG 4.25Å; V20-F65 HydrophobicContact CB-CE2 3.87Å; V20-F65 HydrophobicContact CB-CZ 3.67Å; V20-F65 HydrophobicContact CG1-CE2 3.66Å; V20-F65 HydrophobicContact CG1-CZ 3.72Å; V20-F65 HydrophobicContact CG2-CZ 4Å; L21-F65 HydrophobicContact CD1-CD2 4.3Å; L21-F65 HydrophobicContact CD2-CD2 3.75Å; L21-F65 HydrophobicContact CD2-CE2 4.14Å; L21-F65 HydrophobicContact CG-CD2 3.89Å; L21-F65 HydrophobicContact CG-CE2 4.28Å; M61-F65 HydrophobicContact CG-CE2 4.23Å; M61-F65 WeakPolarHBondContact O-CD2 3.45Å; M61-F65 PolarHBondContact O-N 3.46Å; V62-F65 PolarHBondContact O-N 3.19Å; L63-F65 VanDerWaalsContact C-N 3.26Å; L63-F65 PolarHBondContact O-N 3.03Å; F65-Y69 HydrophobicContact CD1-CD1 4.33Å; F65-Y69 HydrophobicContact CD1-CG 4.07Å; F65-Y69 WeakPolarHBondContact O-CB 2.95Å; F65-T70 WeakPolarHBondContact O-CG2 2.83Å; F65-T70 PolarHBondContact O-N 2.83Å; F65-L251 HydrophobicContact CB-CD2 4.21Å; F65-M325 HydrophobicContact CE2-CG 4.32Å; F65-M325 HydrophobicContact CZ-CG 4.46Å
66F98.2Very high97.9Very high1 Ų120.2 Ų20.20%0.00412%0.119CC..Iπ-helixtrans-84-22.3-176-78.7-92.6000114.5L21 V62 L63 T70 V72 V97 I100 M247 F250 L251L21-F66 HydrophobicContact CD1-CE2 4.12Å; V62-F66 HydrophobicContact CG1-CD2 3.75Å; V62-F66 HydrophobicContact CG1-CE2 4.03Å; V62-F66 WeakPolarHBondContact O-CD2 2.76Å; V62-F66 PolarHBondContact O-N 2.79Å; V62-F66 VanDerWaalsContact O-N 3.07Å; L63-F66 PolarHBondContact O-N 3.17Å; F66-T70 PolarHBondContact O-OG1 3.16Å; F66-V72 WeakPolarHBondContact O-CG1 3.41Å; F66-V97 HydrophobicContact CD1-CG1 4.37Å; F66-V97 HydrophobicContact CE1-CG2 4.44Å; F66-I100 HydrophobicContact CB-CG2 3.67Å; F66-I100 HydrophobicContact CD1-CD1 3.26Å; F66-I100 HydrophobicContact CD1-CG1 4.5Å; F66-I100 HydrophobicContact CD1-CG2 4.16Å; F66-I100 HydrophobicContact CD2-CD1 3.68Å; F66-I100 HydrophobicContact CD2-CG2 4.45Å; F66-I100 HydrophobicContact CE1-CD1 3.19Å; F66-I100 HydrophobicContact CE2-CD1 3.58Å; F66-I100 HydrophobicContact CG-CD1 3.54Å; F66-I100 HydrophobicContact CG-CG2 3.84Å; F66-I100 HydrophobicContact CZ-CD1 3.35Å; F66-M247 HydrophobicContact CE1-CG 3.59Å; F66-M247 HydrophobicContact CZ-CG 3.33Å; F66-M247 HydrophobicContact CZ-SD 3.82Å; F66-F250 HydrophobicContact CB-CE1 4.12Å; F66-F250 AromaticContact CD1-CD1 3.41Å; F66-F250 HydrophobicContact CD1-CD1 3.41Å; F66-F250 VanDerWaalsContact CD1-CD1 3.41Å; F66-F250 AromaticContact CD1-CE1 3.49Å; F66-F250 HydrophobicContact CD1-CE1 3.49Å; F66-F250 VanDerWaalsContact CD1-CE1 3.49Å; F66-F250 HydrophobicContact CD1-CG 4.4Å; F66-F250 AromaticContact CE1-CD1 3.83Å; F66-F250 HydrophobicContact CE1-CD1 3.83Å; F66-F250 HydrophobicContact CE1-CE1 4.36Å; F66-F250 HydrophobicContact CG-CD1 4.47Å; F66-F250 HydrophobicContact CG-CE1 4.25Å; F66-F250 WeakPolarHBondContact O-CE1 3.39Å; F66-L251 HydrophobicContact CD1-CD2 4.27Å; F66-L251 HydrophobicContact CD2-CD2 4.19Å; F66-L251 HydrophobicContact CE1-CD1 4.39Å; F66-L251 HydrophobicContact CE1-CD2 3.97Å; F66-L251 HydrophobicContact CE1-CG 3.91Å; F66-L251 HydrophobicContact CE2-CD1 4.32Å; F66-L251 HydrophobicContact CE2-CD2 3.93Å; F66-L251 HydrophobicContact CE2-CG 4.37Å; F66-L251 HydrophobicContact CG-CD2 4.35Å; F66-L251 HydrophobicContact CZ-CD1 3.79Å; F66-L251 HydrophobicContact CZ-CD2 3.79Å; F66-L251 HydrophobicContact CZ-CG 3.77Å
67E97.9Very high97.9Very high6 Ų618.4 Ų18.43%0.02811%0.106CC..Iπ-helixtrans-114.5-52.7177.8-157.6177.614600112.2L63 T70 G71 V72 I74 R108 L316L63-E67 WeakPolarHBondContact O-CB 3.45Å; L63-E67 PolarHBondContact O-N 3.49Å; E67-T70 PolarHBondContact O-OG1 3.32Å; E67-G71 WeakPolarHBondContact O-CA 3.48Å; E67-G71 PolarHBondContact O-N 2.81Å; E67-G71 VanDerWaalsContact O-N 3.14Å; E67-V72 HydrophobicContact CG-CG1 4.33Å; E67-I74 HydrophobicContact CG-CG1 4.01Å; E67-R108 IonicContact OE1-CZ 3.97Å; E67-R108 IonicContact OE1-NH1 2.99Å; E67-R108 IonicContact OE1-NH2 3.37Å; E67-R108 PolarHBondContact OE1-NH2 3.07Å; E67-R108 IonicContact OE2-CZ 3.76Å; E67-R108 IonicContact OE2-NH1 3.32Å; E67-R108 PolarHBondContact OE2-NH1 3.48Å; E67-R108 IonicContact OE2-NH2 2.64Å; E67-R108 PolarHBondContact OE2-NH2 2.65Å; E67-L316 HydrophobicContact CB-CD2 4.5Å; E67-L316 HydrophobicContact CG-CB 4.29Å; E67-L316 WeakPolarHBondContact OE1-CA 3.38Å; E67-L316 WeakPolarHBondContact OE1-CB 3.48Å; E67-L316 PolarHBondContact OE1-N 3.13Å; E67-L316 WeakPolarHBondContact OE2-CB 3.44Å
68N97.3Very high97.8Very high39 Ų3918.4 Ų18.421%0.20912%0.115CC..Iπ-helixtrans-77.3-42.9-174.4-58.3110.9000113.3F64 L316 T321F64-N68 HydrophobicContact CD2-CB 4.1Å; F64-N68 HydrophobicContact CE2-CB 4.32Å; F64-N68 CarbonylContact O-C 3.5Å; F64-N68 WeakPolarHBondContact O-CA 3.42Å; F64-N68 WeakPolarHBondContact O-CB 3.44Å; F64-N68 PolarHBondContact O-N 2.93Å; F64-N68 VanDerWaalsContact O-N 3.08Å; N68-L316 PolarHBondContact ND2-O 3.1Å; N68-L316 VanDerWaalsContact ND2-O 3.13Å; N68-T321 PolarHBondContact OD1-OG1 3.23Å
69Y96.7Very high97.3Very high52 Ų5224.8 Ų24.820%0.20415%0.15CC..Iπ-helixtrans-74.1-47.1-179.5169.6-98.1000112.1R13 L16 P17 F64 F65 G71 K253R13-Y69 PolarHBondContact O-OH 3.46Å; L16-Y69 HydrophobicContact CD2-CE2 4.25Å; P17-Y69 HydrophobicContact CG-CD1 3.88Å; P17-Y69 HydrophobicContact CG-CE1 3.53Å; F64-Y69 PolarHBondContact O-N 3.07Å; F65-Y69 HydrophobicContact CD1-CD1 4.33Å; F65-Y69 HydrophobicContact CD1-CG 4.07Å; F65-Y69 WeakPolarHBondContact O-CB 2.95Å; Y69-G71 PolarHBondContact O-N 2.99Å; Y69-K253 WeakPolarHBondContact O-CE 3.36Å; Y69-K253 PolarHBondContact O-NZ 3.36Å
70T96.3Very high97.1Very high9 Ų926.2 Ų26.26%0.05516%0.158CC..THydrogen-bonded Turntrans-60.5-40175.155.70000110.7F65 F66 E67 V72 F250 L251 K253F65-T70 WeakPolarHBondContact O-CG2 2.83Å; F65-T70 PolarHBondContact O-N 2.83Å; F66-T70 PolarHBondContact O-OG1 3.16Å; E67-T70 PolarHBondContact O-OG1 3.32Å; T70-V72 VanDerWaalsContact C-N 3.25Å; T70-V72 WeakPolarHBondContact OG1-CG1 3.11Å; T70-V72 PolarHBondContact OG1-N 3.48Å; T70-F250 HydrophobicContact CG2-CD1 3.92Å; T70-F250 HydrophobicContact CG2-CE1 3.8Å; T70-F250 WeakPolarHBondContact CG2-O 3.26Å; T70-L251 HydrophobicContact CG2-CD2 4.4Å; T70-K253 VanDerWaalsContact O-CD 3.27Å; T70-K253 WeakPolarHBondContact O-CD 3.42Å; T70-K253 WeakPolarHBondContact O-CE 3.37Å; T70-K253 PolarHBondContact O-NZ 2.93Å
71G96Very high96.9Very high58 Ų5827.4 Ų27.460%0.59817%0.165SC*.  trans7518.8-172.600000112.6E67 Y69E67-G71 WeakPolarHBondContact O-CA 3.48Å; E67-G71 PolarHBondContact O-N 2.81Å; E67-G71 VanDerWaalsContact O-N 3.14Å; Y69-G71 PolarHBondContact O-N 2.99Å
72V97.5Very high96.5Very high12 Ų1236.4 Ų36.47%0.07320%0.204CC..  trans-56.6139.5176.367.50000110.5F66 E67 T70 I74 F250 C255 I258F66-V72 WeakPolarHBondContact O-CG1 3.41Å; E67-V72 HydrophobicContact CG-CG1 4.33Å; T70-V72 VanDerWaalsContact C-N 3.25Å; T70-V72 WeakPolarHBondContact OG1-CG1 3.11Å; T70-V72 PolarHBondContact OG1-N 3.48Å; V72-I74 HydrophobicContact CG1-CD1 3.84Å; V72-I74 HydrophobicContact CG2-CD1 4.49Å; V72-F250 HydrophobicContact CB-CZ 4.19Å; V72-F250 HydrophobicContact CG1-CZ 3.95Å; V72-F250 HydrophobicContact CG2-CE2 4.33Å; V72-F250 HydrophobicContact CG2-CZ 4.16Å; V72-C255 WeakPolarHBondContact CG2-O 3.5Å; V72-I258 HydrophobicContact CG2-CD1 4.14Å; V72-I258 HydrophobicContact CG2-CG1 3.72Å
73Q98Very high96.2Very high66 Ų6642.2 Ų42.231%0.30824%0.235SC..EExtended strand (participates in β ladder)trans-85.7124.4174.5-170178.330.800110.3L75 P256 K257 I258 N313Q73-L75 HydrophobicContact CG-CD2 3.97Å; Q73-L75 HydrophobicContact CG-CG 4.27Å; Q73-P256 PolarHBondContact N-O 3.14Å; Q73-K257 HydrophobicContact CB-CB 4.44Å; Q73-K257 HydrophobicContact CB-CG 4.07Å; Q73-K257 CarbonylContact O-C 3.51Å; Q73-K257 VanDerWaalsContact O-CA 3.31Å; Q73-K257 WeakPolarHBondContact O-CA 3.32Å; Q73-K257 VanDerWaalsContact OE1-CD 3.31Å; Q73-I258 PolarHBondContact O-N 3.36Å; Q73-N313 PolarHBondContact NE2-ND2 3.24Å; Q73-N313 VanDerWaalsContact NE2-ND2 3.15Å
74I98.2Very high96Very high1 Ų146.6 Ų46.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-98.8110.6176.5-53-57.2000109.5E67 V72 L76 I104 I258 I260 N313 S314E67-I74 HydrophobicContact CG-CG1 4.01Å; V72-I74 HydrophobicContact CG1-CD1 3.84Å; V72-I74 HydrophobicContact CG2-CD1 4.49Å; I74-L76 HydrophobicContact CG2-CD2 3.76Å; I74-L76 HydrophobicContact CG2-CG 4.25Å; I74-I104 HydrophobicContact CD1-CD1 4.04Å; I74-I104 HydrophobicContact CG1-CG2 4.48Å; I74-I104 HydrophobicContact CG2-CG2 4.14Å; I74-I258 HydrophobicContact CD1-CB 4.03Å; I74-I258 HydrophobicContact CD1-CD1 3.7Å; I74-I258 HydrophobicContact CD1-CG1 4.07Å; I74-I260 HydrophobicContact CG2-CD1 3.74Å; I74-N313 WeakPolarHBondContact O-CA 3.35Å; I74-S314 PolarHBondContact O-N 2.9Å
75L98.1Very high95.9Very high16 Ų1646.7 Ų46.78%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-101.6106.4177.3-61.8179.8000109.4Q73 Y77 K257 I258 H259 I260 N313Q73-L75 HydrophobicContact CG-CD2 3.97Å; Q73-L75 HydrophobicContact CG-CG 4.27Å; L75-Y77 HydrophobicContact CB-CE2 3.89Å; L75-Y77 WeakPolarHBondContact O-CD2 3.43Å; L75-K257 HydrophobicContact CD1-CD 3.98Å; L75-I258 PolarHBondContact N-O 3.15Å; L75-H259 VanDerWaalsContact CD1-CE1 3.42Å; L75-H259 WeakPolarHBondContact CD1-CE1 3.39Å; L75-I260 PolarHBondContact O-N 3.38Å; L75-N313 HydrophobicContact CD2-CB 4.16Å
76L98.1Very high95.9Very high15 Ų1547.7 Ų47.78%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-91.3131.6177.1-59.5-173000110.4I74 L80 L105 I260 S311 V312 S314I74-L76 HydrophobicContact CG2-CD2 3.76Å; I74-L76 HydrophobicContact CG2-CG 4.25Å; L76-L80 HydrophobicContact CD1-CD2 4.45Å; L76-L105 HydrophobicContact CD1-CD2 4.38Å; L76-L105 HydrophobicContact CD2-CD2 3.75Å; L76-I260 CarbonylContact C-O 3.51Å; L76-I260 WeakPolarHBondContact CA-O 3.45Å; L76-I260 HydrophobicContact CD2-CB 3.74Å; L76-I260 HydrophobicContact CD2-CD1 3.79Å; L76-I260 HydrophobicContact CD2-CG1 4.24Å; L76-I260 HydrophobicContact CD2-CG2 4.24Å; L76-S311 CarbonylContact O-C 3.51Å; L76-S311 VanDerWaalsContact O-CA 3.25Å; L76-S311 WeakPolarHBondContact O-CA 3.26Å; L76-V312 PolarHBondContact N-O 3.4Å; L76-V312 PolarHBondContact O-N 2.88Å; L76-S314 VanDerWaalsContact CD1-CB 3.44Å; L76-S314 WeakPolarHBondContact CD1-OG 3.4Å
77Y98.2Very high95.9Very high6 Ų647.6 Ų47.62%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-117.6142.5173.2-56.6-109.3000108.6L75 H259 I260 H261 I262 R306 F307L75-Y77 HydrophobicContact CB-CE2 3.89Å; L75-Y77 WeakPolarHBondContact O-CD2 3.43Å; Y77-H259 HydrophobicContact CE2-CB 3.86Å; Y77-H259 AromaticContact CE2-ND1 3.55Å; Y77-H259 AromaticContact CZ-ND1 3.61Å; Y77-H259 PolarHBondContact OH-ND1 3.1Å; Y77-I260 PolarHBondContact N-O 2.77Å; Y77-H261 WeakPolarHBondContact O-CA 3.27Å; Y77-I262 PolarHBondContact O-N 3.47Å; Y77-R306 HydrophobicContact CE1-CB 4.36Å; Y77-F307 HydrophobicContact CD1-CB 3.68Å; Y77-F307 HydrophobicContact CD2-CB 4.17Å; Y77-F307 AromaticContact CD2-CD2 3.77Å; Y77-F307 HydrophobicContact CD2-CD2 3.77Å; Y77-F307 HydrophobicContact CD2-CG 4.47Å; Y77-F307 HydrophobicContact CE1-CB 3.86Å; Y77-F307 VanDerWaalsContact CE1-O 3.26Å; Y77-F307 WeakPolarHBondContact CE1-O 3.37Å; Y77-F307 HydrophobicContact CE2-CB 4.36Å; Y77-F307 AromaticContact CE2-CD2 3.97Å; Y77-F307 HydrophobicContact CE2-CD2 3.97Å; Y77-F307 HydrophobicContact CG-CB 3.84Å; Y77-F307 HydrophobicContact CG-CD2 4.21Å
78G95.3Very high95.9Very high44 Ų4447.3 Ų47.345%0.45426%0.259SS..SBendtrans77.3-179.6-169.400000112.7
79D87.7Confident96Very high145 Ų14545.5 Ų45.578%0.77525%0.249SC*.  trans-101.7111.1-173.8-70.4-37.8000111.2P81D79-P81 WeakPolarHBondContact O-CD 3.32Å
80L94.7Very high96.1Very high37 Ų3743 Ų4319%0.19424%0.239CC..  trans-82.1118.2165.9-178.166.3000108.9L76 K82 L105 R108 Q109 Y226 I262L76-L80 HydrophobicContact CD1-CD2 4.45Å; L80-K82 PolarHBondContact O-N 3.45Å; L80-L105 HydrophobicContact CD2-CD2 4.1Å; L80-R108 HydrophobicContact CD2-CB 3.86Å; L80-Q109 HydrophobicContact CD1-CG 4.13Å; L80-Q109 HydrophobicContact CD2-CG 4.16Å; L80-Q109 HydrophobicContact CG-CG 4.09Å; L80-Y226 HydrophobicContact CD1-CD2 4.38Å; L80-Y226 HydrophobicContact CD1-CE2 3.86Å; L80-I262 HydrophobicContact CB-CD1 4.06Å; L80-I262 HydrophobicContact CD1-CD1 4Å; L80-I262 HydrophobicContact CG-CD1 4.47Å
81P93.8Very high96.2Very high29 Ų2942.6 Ų42.619%0.18824%0.237CC..  trans-56.6138.2175.5-2737.1000111.6D79 N83 Q109 Y226 R264D79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-N83 VanDerWaalsContact C-N 3.32Å; P81-Q109 WeakPolarHBondContact O-CG 3.42Å; P81-Q109 PolarHBondContact O-NE2 3.16Å; P81-Y226 WeakPolarHBondContact CD-OH 3.41Å; P81-Y226 HydrophobicContact CG-CE1 4.34Å; P81-Y226 VanDerWaalsContact CG-OH 3.29Å; P81-Y226 WeakPolarHBondContact CG-OH 3.38Å; P81-R264 VanDerWaalsContact CG-CD 3.5Å
82K90.8Very high96.3Very high190 Ų19040 Ų4083%0.82621%0.209SC*.SBendtrans-72.2-30.2178.2-65.5-178.6-178.1174.70112.5L80L80-K82 PolarHBondContact O-N 3.45Å
83N93Very high96.3Very high128 Ų12840.7 Ų40.768%0.68421%0.211SC*.SBendtrans-81153.9-179.6-64-22.3000110.3P81 Q109P81-N83 VanDerWaalsContact C-N 3.32Å; N83-Q109 PolarHBondContact O-NE2 3.29Å
84K94Very high96.2Very high92 Ų9237.8 Ų37.840%0.420%0.198SC..  trans-73.1134.4170.5175.9-178.1-68.1-175.50109.3N110 A111 H114K84-N110 WeakPolarHBondContact CE-O 3.38Å; K84-N110 PolarHBondContact NZ-O 3.01Å; K84-A111 HydrophobicContact CG-CB 4.11Å; K84-H114 VanDerWaalsContact CD-CD2 3.44Å; K84-H114 WeakPolarHBondContact CD-CD2 3.33Å; K84-H114 WeakPolarHBondContact CD-NE2 3.26Å; K84-H114 VanDerWaalsContact CE-NE2 3.34Å; K84-H114 WeakPolarHBondContact CE-NE2 3.4Å; K84-H114 PolarHBondContact NZ-CD2 3.04Å; K84-H114 PolarHBondContact NZ-NE2 2.99Å
85E96.5Very high96.2Very high31 Ų3137.9 Ų37.915%0.14520%0.198CC..  trans-130.8152.4178.6-66.8-171.1130.300109.4I87 D223 Y226 R264E85-I87 HydrophobicContact CB-CG2 3.57Å; E85-D223 WeakPolarHBondContact CA-OD2 3.47Å; E85-D223 HydrophobicContact CB-CB 4.01Å; E85-D223 HydrophobicContact CG-CB 4.3Å; E85-Y226 VanDerWaalsContact OE2-CE1 3.32Å; E85-Y226 WeakPolarHBondContact OE2-CE1 3.43Å; E85-Y226 PolarHBondContact OE2-OH 2.86Å; E85-R264 IonicContact OE1-CZ 3.73Å; E85-R264 IonicContact OE1-NE 3.65Å; E85-R264 PolarHBondContact OE1-NE 3.44Å; E85-R264 VanDerWaalsContact OE1-NE 3.16Å; E85-R264 IonicContact OE1-NH2 2.7Å; E85-R264 PolarHBondContact OE1-NH2 3.33Å; E85-R264 IonicContact OE2-CZ 3.2Å; E85-R264 IonicContact OE2-NE 3.16Å; E85-R264 PolarHBondContact OE2-NE 3.35Å; E85-R264 IonicContact OE2-NH2 2.69Å
86N97.8Very high96.1Very high24 Ų2438.8 Ų38.813%0.12821%0.205CC..  trans-81.6111.6166.5-71.5-31.3000108.8P165 M166 Y221 L222 D223N86-P165 VanDerWaalsContact OD1-CA 3.24Å; N86-P165 WeakPolarHBondContact OD1-CA 3.47Å; N86-M166 CarbonylContact C-O 3.59Å; N86-M166 VanDerWaalsContact CA-O 3.23Å; N86-M166 WeakPolarHBondContact CA-O 3.3Å; N86-M166 PolarHBondContact OD1-N 3.49Å; N86-Y221 HydrophobicContact CB-CD1 4.42Å; N86-Y221 WeakPolarHBondContact CB-O 3.31Å; N86-Y221 WeakPolarHBondContact ND2-CE1 3.31Å; N86-Y221 PolarHBondContact ND2-O 3.38Å; N86-L222 CarbonylContact O-C 3.55Å; N86-L222 WeakPolarHBondContact O-CA 3.4Å; N86-D223 PolarHBondContact N-OD2 3.48Å; N86-D223 PolarHBondContact O-N 2.73Å
87I98.2Very high96.1Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-135.6157.2-170.665.883.6000112.9E85 M166 Y167 L168 A224 Y226E85-I87 HydrophobicContact CB-CG2 3.57Å; I87-M166 PolarHBondContact N-O 2.99Å; I87-Y167 HydrophobicContact CD1-CD1 3.69Å; I87-Y167 HydrophobicContact CD1-CD2 3.77Å; I87-Y167 HydrophobicContact CD1-CE1 3.63Å; I87-Y167 HydrophobicContact CD1-CE2 3.71Å; I87-Y167 HydrophobicContact CD1-CG 3.76Å; I87-Y167 HydrophobicContact CG1-CD1 4.4Å; I87-Y167 HydrophobicContact CG1-CD2 3.57Å; I87-Y167 HydrophobicContact CG1-CE1 4.47Å; I87-Y167 HydrophobicContact CG1-CE2 3.64Å; I87-Y167 HydrophobicContact CG1-CG 3.97Å; I87-L168 PolarHBondContact O-N 2.93Å; I87-A224 VanDerWaalsContact CA-O 3.24Å; I87-A224 WeakPolarHBondContact CA-O 3.48Å; I87-A224 WeakPolarHBondContact CB-O 3.43Å; I87-A224 HydrophobicContact CG2-CB 4.18Å; I87-Y226 HydrophobicContact CB-CD1 4.36Å; I87-Y226 HydrophobicContact CB-CE1 4.45Å; I87-Y226 HydrophobicContact CD1-CD2 4.24Å; I87-Y226 HydrophobicContact CD1-CG 4.3Å; I87-Y226 HydrophobicContact CG1-CD2 4.22Å; I87-Y226 HydrophobicContact CG1-CE2 4.34Å; I87-Y226 HydrophobicContact CG1-CG 4.34Å; I87-Y226 HydrophobicContact CG2-CD1 4.05Å; I87-Y226 HydrophobicContact CG2-CE1 3.69Å
88I98.6Very high96.1Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-99.3123.9157.3-60172.2000107.1L90 L168 I170 A214 F215 M218 L222 A224 I225 Y226I88-L90 HydrophobicContact CG2-CD2 3.58Å; I88-L90 HydrophobicContact CG2-CG 4.06Å; I88-L168 CarbonylContact C-O 3.5Å; I88-L168 WeakPolarHBondContact CA-O 3.37Å; I88-I170 HydrophobicContact CG2-CD1 3.81Å; I88-I170 HydrophobicContact CG2-CG1 4.18Å; I88-A214 HydrophobicContact CD1-CB 3.73Å; I88-A214 HydrophobicContact CG1-CB 4.47Å; I88-F215 HydrophobicContact CD1-CB 3.98Å; I88-F215 HydrophobicContact CD1-CD2 4.37Å; I88-M218 HydrophobicContact CD1-CE 3.97Å; I88-M218 HydrophobicContact CG1-CE 3.72Å; I88-L222 HydrophobicContact CD1-CD1 3.62Å; I88-L222 HydrophobicContact CG1-CD1 3.86Å; I88-L222 HydrophobicContact CG1-CD2 3.96Å; I88-A224 PolarHBondContact N-O 2.81Å; I88-I225 HydrophobicContact CB-CG1 4.26Å; I88-I225 CarbonylContact O-C 3.45Å; I88-I225 WeakPolarHBondContact O-CA 3.31Å; I88-Y226 PolarHBondContact O-N 2.92Å
89Y98.7Very high96.2Very high1 Ų139.3 Ų39.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-92.3119.4172.8173.9-77.7000108.3A91 A102 L105 Y167 L168 V169 I170 F171 V228Y89-A91 HydrophobicContact CD1-CB 4.2Å; Y89-A91 HydrophobicContact CE1-CB 3.3Å; Y89-A102 HydrophobicContact CD1-CB 4.39Å; Y89-A102 HydrophobicContact CD2-CB 4.49Å; Y89-A102 HydrophobicContact CE1-CB 4.11Å; Y89-A102 HydrophobicContact CE2-CB 4.24Å; Y89-L105 HydrophobicContact CE2-CD1 3.74Å; Y89-Y167 AromaticContact CD2-CE1 3.93Å; Y89-Y167 HydrophobicContact CD2-CE1 3.93Å; Y89-Y167 HydrophobicContact CG-CE1 4.21Å; Y89-L168 PolarHBondContact N-O 3.38Å; Y89-V169 HydrophobicContact CD1-CB 4.29Å; Y89-V169 HydrophobicContact CD1-CG1 3.72Å; Y89-V169 HydrophobicContact CD1-CG2 4.22Å; Y89-V169 HydrophobicContact CE1-CG1 4.13Å; Y89-V169 HydrophobicContact CG-CG2 4.28Å; Y89-I170 PolarHBondContact O-N 2.76Å; Y89-F171 HydrophobicContact CE1-CE1 4.36Å; Y89-V228 HydrophobicContact CD2-CB 4.45Å; Y89-V228 HydrophobicContact CD2-CG2 3.82Å; Y89-V228 HydrophobicContact CE2-CB 3.67Å; Y89-V228 HydrophobicContact CE2-CG1 3.94Å; Y89-V228 HydrophobicContact CE2-CG2 3.37Å; Y89-V228 WeakPolarHBondContact OH-CG1 3.27Å
90L98.7Very high96.7Very high0 Ų032.4 Ų32.40%016%0.155CC..EExtended strand (participates in β ladder)trans-113.9123.2175.1-58.5-175.5000108.6I88 I170 P172 T211 I225 Y226 V228 W280 L281I88-L90 HydrophobicContact CG2-CD2 3.58Å; I88-L90 HydrophobicContact CG2-CG 4.06Å; L90-I170 HydrophobicContact CD2-CB 3.87Å; L90-I170 HydrophobicContact CD2-CD1 4.47Å; L90-I170 HydrophobicContact CD2-CG2 4.41Å; L90-P172 HydrophobicContact CD2-CG 4Å; L90-T211 HydrophobicContact CD1-CG2 3.92Å; L90-T211 HydrophobicContact CD2-CG2 4.06Å; L90-I225 HydrophobicContact CB-CG2 4.46Å; L90-I225 HydrophobicContact CD1-CD1 4.4Å; L90-I225 HydrophobicContact CD1-CG2 3.68Å; L90-I225 HydrophobicContact CG-CG2 3.81Å; L90-Y226 PolarHBondContact N-O 2.97Å; L90-V228 PolarHBondContact O-N 2.83Å; L90-W280 HydrophobicContact CD1-CH2 4.44Å; L90-W280 HydrophobicContact CD1-CZ3 4.34Å; L90-L281 HydrophobicContact CD1-CD1 3.85Å
91A98.7Very high96.9Very high0 Ų030.7 Ų30.70%015%0.146CC..EExtended strand (participates in β ladder)trans-137.5160.8174.900000113.5Y89 I170 F171 P172 V228Y89-A91 HydrophobicContact CD1-CB 4.2Å; Y89-A91 HydrophobicContact CE1-CB 3.3Å; A91-I170 PolarHBondContact N-O 3.32Å; A91-F171 HydrophobicContact CB-CD1 4.25Å; A91-F171 HydrophobicContact CB-CE1 4.02Å; A91-P172 WeakPolarHBondContact O-CD 3.12Å; A91-V228 VanDerWaalsContact CA-O 3.22Å; A91-V228 WeakPolarHBondContact CA-O 3.44Å; A91-V228 HydrophobicContact CB-CB 4.15Å; A91-V228 WeakPolarHBondContact CB-O 3.36Å
92N98.4Very high97.1Very high2 Ų229.3 Ų29.31%0.01114%0.137CC..  trans-63.9152.4160.664.2-42.1000110.5Q94 E173 V203 T229 V230 K288N92-Q94 PolarHBondContact ND2-NE2 2.78Å; N92-E173 WeakPolarHBondContact CA-OE1 3.48Å; N92-E173 WeakPolarHBondContact CB-OE1 3.44Å; N92-V203 HydrophobicContact CB-CG1 3.71Å; N92-T229 WeakPolarHBondContact OD1-CA 3.16Å; N92-V230 PolarHBondContact ND2-O 3.49Å; N92-V230 VanDerWaalsContact ND2-O 3.1Å; N92-V230 PolarHBondContact OD1-N 3.15Å; N92-K288 HydrophobicContact CB-CD 4.2Å
93H97.7Very high97.5Very high27 Ų2720.2 Ų20.213%0.12510%0.098CC..  trans-126.1116.2-174.7-16431.1000109.6D98 F171 E173 R176 Y177H93-D98 VanDerWaalsContact CA-OD2 3.28Å; H93-D98 WeakPolarHBondContact CA-OD2 3.39Å; H93-D98 IonicContact CE1-OD2 2.81Å; H93-D98 IonicContact CG-OD2 2.83Å; H93-D98 IonicContact ND1-OD2 3.81Å; H93-D98 PolarHBondContact ND1-OD2 2.74Å; H93-F171 HydrophobicContact CB-CB 3.87Å; H93-F171 HydrophobicContact CB-CD1 3.76Å; H93-F171 HydrophobicContact CB-CG 4.01Å; H93-F171 AromaticContact CG-CD1 3.85Å; H93-F171 AromaticContact CG-CG 3.79Å; H93-F171 AromaticContact ND1-CD1 3.76Å; H93-F171 AromaticContact ND1-CG 3.84Å; H93-E173 PolarHBondContact N-OE1 3.42Å; H93-R176 VanDerWaalsContact NE2-CG 3.28Å; H93-R176 WeakPolarHBondContact NE2-CG 3.42Å; H93-R176 CarbonylContact O-C 3.6Å; H93-R176 VanDerWaalsContact O-CA 3.31Å; H93-R176 WeakPolarHBondContact O-CA 3.42Å; H93-Y177 WeakPolarHBondContact O-CB 3.44Å; H93-Y177 PolarHBondContact O-N 3.4Å
94Q96Very high97.7Very high5 Ų514.1 Ų14.12%0.0237%0.065CC..  trans-144.2-17.9-176.668.2-167.2-65.200113.9N92 D98 V230 Y232 S244N92-Q94 PolarHBondContact ND2-NE2 2.78Å; Q94-D98 PolarHBondContact N-OD2 3.08Å; Q94-V230 PolarHBondContact NE2-O 3.04Å; Q94-Y232 HydrophobicContact CG-CD2 4.05Å; Q94-Y232 HydrophobicContact CG-CE2 3.85Å; Q94-S244 VanDerWaalsContact CG-OG 3.27Å; Q94-S244 WeakPolarHBondContact CG-OG 3.44Å; Q94-S244 PolarHBondContact OE1-OG 3.17Å
95S96.9Very high97.9Very high3 Ų39.8 Ų9.82%0.0215%0.046CC..  trans-127.4154.7-177.1177.20000112.1V97 D98 R176 Y232 P245S95-V97 PolarHBondContact O-N 2.82Å; S95-V97 WeakPolarHBondContact OG-CB 3.18Å; S95-V97 PolarHBondContact OG-N 2.73Å; S95-D98 PolarHBondContact N-OD1 2.95Å; S95-D98 PolarHBondContact N-OD2 3.31Å; S95-D98 VanDerWaalsContact O-CG 3.28Å; S95-D98 PolarHBondContact O-N 3.03Å; S95-R176 PolarHBondContact O-NE 3.29Å; S95-Y232 VanDerWaalsContact CB-CE2 3.42Å; S95-P245 PolarHBondContact OG-O 3Å
96T96Very high98Very high36 Ų368.3 Ų8.322%0.2214%0.039CC..THydrogen-bonded Turntrans-63.4-13.9163.347.70000113.1W99 R176 T246 M247T96-W99 PolarHBondContact O-NE1 3.31Å; T96-R176 VanDerWaalsContact CG2-CZ 3.45Å; T96-T246 WeakPolarHBondContact OG1-CA 3.39Å; T96-M247 PolarHBondContact OG1-N 3.46Å
97V97.7Very high98Very high0 Ų07.5 Ų7.50%04%0.035CC..THydrogen-bonded Turntrans-88.6-10.8179.6-177.80000112.1F66 S95 W99 I100 V101 Y232 M247 F250F66-V97 HydrophobicContact CD1-CG1 4.37Å; F66-V97 HydrophobicContact CE1-CG2 4.44Å; S95-V97 PolarHBondContact O-N 2.82Å; S95-V97 WeakPolarHBondContact OG-CB 3.18Å; S95-V97 PolarHBondContact OG-N 2.73Å; V97-W99 VanDerWaalsContact C-N 3.25Å; V97-W99 PolarHBondContact O-N 3.45Å; V97-W99 VanDerWaalsContact O-N 3.07Å; V97-I100 HydrophobicContact CG1-CB 4.06Å; V97-I100 HydrophobicContact CG1-CD1 4.23Å; V97-I100 HydrophobicContact CG1-CG1 4.5Å; V97-I100 WeakPolarHBondContact O-CA 3.25Å; V97-I100 WeakPolarHBondContact O-CB 3.37Å; V97-I100 PolarHBondContact O-N 2.99Å; V97-V101 PolarHBondContact O-N 3.18Å; V97-Y232 HydrophobicContact CB-CE1 4.04Å; V97-Y232 HydrophobicContact CG1-CE1 3.96Å; V97-M247 HydrophobicContact CG2-CB 4.48Å; V97-F250 HydrophobicContact CG1-CD2 4.06Å; V97-F250 HydrophobicContact CG1-CE2 4.03Å; V97-F250 HydrophobicContact CG1-CG 4.31Å; V97-F250 HydrophobicContact CG1-CZ 4.25Å; V97-F250 HydrophobicContact CG2-CB 3.82Å; V97-F250 HydrophobicContact CG2-CD2 4.02Å; V97-F250 HydrophobicContact CG2-CG 3.87Å
98D98.5Very high97.9Very high1 Ų19.3 Ų9.31%0.0054%0.042CC..Hα-helixtrans-57.5-33.9-171.7-66.1-28.2000114.6H93 Q94 S95 I100 V101 A102 F171 Y232H93-D98 VanDerWaalsContact CA-OD2 3.28Å; H93-D98 WeakPolarHBondContact CA-OD2 3.39Å; H93-D98 IonicContact CE1-OD2 2.81Å; H93-D98 IonicContact CG-OD2 2.83Å; H93-D98 IonicContact ND1-OD2 3.81Å; H93-D98 PolarHBondContact ND1-OD2 2.74Å; Q94-D98 PolarHBondContact N-OD2 3.08Å; S95-D98 PolarHBondContact N-OD1 2.95Å; S95-D98 PolarHBondContact N-OD2 3.31Å; S95-D98 VanDerWaalsContact O-CG 3.28Å; S95-D98 PolarHBondContact O-N 3.03Å; D98-I100 VanDerWaalsContact C-N 3.26Å; D98-I100 PolarHBondContact O-N 2.76Å; D98-V101 WeakPolarHBondContact O-CB 3.17Å; D98-V101 PolarHBondContact O-N 2.9Å; D98-V101 VanDerWaalsContact O-N 3.17Å; D98-A102 PolarHBondContact O-N 3.17Å; D98-F171 HydrophobicContact CB-CE1 3.64Å; D98-F171 HydrophobicContact CB-CZ 3.6Å; D98-Y232 VanDerWaalsContact CA-OH 3.28Å; D98-Y232 WeakPolarHBondContact CA-OH 3Å; D98-Y232 PolarHBondContact N-OH 3.45Å; D98-Y232 WeakPolarHBondContact OD1-CE2 3.43Å; D98-Y232 VanDerWaalsContact OD1-CZ 3.3Å; D98-Y232 PolarHBondContact OD1-OH 3.29Å
99W97.8Very high97.8Very high75 Ų759.5 Ų9.528%0.2844%0.043SC..Hα-helixtrans-66.3-31.4176.565.9-87.4000112.2V62 T96 V97 V101 A102 D103 Y117 M247V62-W99 HydrophobicContact CG1-CH2 3.81Å; V62-W99 HydrophobicContact CG1-CZ3 4.2Å; T96-W99 PolarHBondContact O-NE1 3.31Å; V97-W99 VanDerWaalsContact C-N 3.25Å; V97-W99 PolarHBondContact O-N 3.45Å; V97-W99 VanDerWaalsContact O-N 3.07Å; W99-V101 VanDerWaalsContact C-N 3.31Å; W99-A102 WeakPolarHBondContact O-CB 3.5Å; W99-A102 PolarHBondContact O-N 2.81Å; W99-D103 WeakPolarHBondContact CZ3-OD2 3.43Å; W99-D103 PolarHBondContact O-N 3.32Å; W99-Y117 HydrophobicContact CB-CD1 4.36Å; W99-Y117 HydrophobicContact CB-CE1 3.6Å; W99-Y117 PolarHBondContact O-OH 2.89Å; W99-M247 HydrophobicContact CZ2-SD 4.43Å
100I98.4Very high97.6Very high0 Ų014.5 Ų14.50%07%0.07CC..Hα-helixtrans-70.5-32.1175.3-53.3-179.5000110L63 F66 V97 D98 A102 D103 I104L63-I100 HydrophobicContact CD2-CG2 3.7Å; F66-I100 HydrophobicContact CB-CG2 3.67Å; F66-I100 HydrophobicContact CD1-CD1 3.26Å; F66-I100 HydrophobicContact CD1-CG1 4.5Å; F66-I100 HydrophobicContact CD1-CG2 4.16Å; F66-I100 HydrophobicContact CD2-CD1 3.68Å; F66-I100 HydrophobicContact CD2-CG2 4.45Å; F66-I100 HydrophobicContact CE1-CD1 3.19Å; F66-I100 HydrophobicContact CE2-CD1 3.58Å; F66-I100 HydrophobicContact CG-CD1 3.54Å; F66-I100 HydrophobicContact CG-CG2 3.84Å; F66-I100 HydrophobicContact CZ-CD1 3.35Å; V97-I100 HydrophobicContact CG1-CB 4.06Å; V97-I100 HydrophobicContact CG1-CD1 4.23Å; V97-I100 HydrophobicContact CG1-CG1 4.5Å; V97-I100 WeakPolarHBondContact O-CA 3.25Å; V97-I100 WeakPolarHBondContact O-CB 3.37Å; V97-I100 PolarHBondContact O-N 2.99Å; D98-I100 VanDerWaalsContact C-N 3.26Å; D98-I100 PolarHBondContact O-N 2.76Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 2.77Å; I100-D103 CarbonylContact O-C 3.57Å; I100-D103 WeakPolarHBondContact O-CB 3.48Å; I100-D103 PolarHBondContact O-N 2.88Å; I100-D103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 4.34Å; I100-I104 HydrophobicContact CG2-CG1 4.46Å; I100-I104 WeakPolarHBondContact O-CB 3.45Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 2.91Å
101V98.6Very high97.5Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-65.1-37.8174.2179.50000111.4V97 D98 W99 D103 I104 L105 V230 Y232 I258 I260V97-V101 PolarHBondContact O-N 3.18Å; D98-V101 WeakPolarHBondContact O-CB 3.17Å; D98-V101 PolarHBondContact O-N 2.9Å; D98-V101 VanDerWaalsContact O-N 3.17Å; W99-V101 VanDerWaalsContact C-N 3.31Å; V101-D103 VanDerWaalsContact C-N 3.33Å; V101-D103 PolarHBondContact O-N 2.78Å; V101-I104 WeakPolarHBondContact O-CB 3.46Å; V101-I104 PolarHBondContact O-N 3.11Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 2.92Å; V101-L105 VanDerWaalsContact O-N 3.17Å; V101-V230 HydrophobicContact CB-CG2 4.44Å; V101-V230 HydrophobicContact CG1-CG1 4.2Å; V101-V230 HydrophobicContact CG1-CG2 3.71Å; V101-V230 HydrophobicContact CG2-CG1 4.12Å; V101-Y232 HydrophobicContact CG2-CE1 4.07Å; V101-Y232 VanDerWaalsContact CG2-OH 3.28Å; V101-Y232 WeakPolarHBondContact CG2-OH 3.32Å; V101-I258 HydrophobicContact CG2-CD1 4.42Å; V101-I258 HydrophobicContact CG2-CG2 4.47Å; V101-I260 HydrophobicContact CG1-CD1 3.58Å; V101-I260 HydrophobicContact CG1-CG1 3.96Å; V101-I260 HydrophobicContact CG1-CG2 4.4Å
102A98.6Very high97.5Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-61.9-42170.700000111.7Y89 D98 W99 I100 L105 A106 V169Y89-A102 HydrophobicContact CD1-CB 4.39Å; Y89-A102 HydrophobicContact CD2-CB 4.49Å; Y89-A102 HydrophobicContact CE1-CB 4.11Å; Y89-A102 HydrophobicContact CE2-CB 4.24Å; D98-A102 PolarHBondContact O-N 3.17Å; W99-A102 WeakPolarHBondContact O-CB 3.5Å; W99-A102 PolarHBondContact O-N 2.81Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 2.77Å; A102-L105 PolarHBondContact O-N 3.49Å; A102-A106 WeakPolarHBondContact O-CB 3.45Å; A102-A106 PolarHBondContact O-N 3.31Å; A102-V169 HydrophobicContact CB-CG1 4.12Å; A102-V169 HydrophobicContact CB-CG2 3.56Å
103D98.6Very high97.4Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-64.7-39.6176.2-74.4-19.3000113Q59 L63 W99 I100 V101 L105 A106 I107 L112 Y117Q59-D103 PolarHBondContact OE1-OD2 3.08Å; L63-D103 HydrophobicContact CD1-CB 4.17Å; L63-D103 HydrophobicContact CD2-CB 3.94Å; L63-D103 HydrophobicContact CG-CB 4.3Å; W99-D103 WeakPolarHBondContact CZ3-OD2 3.43Å; W99-D103 PolarHBondContact O-N 3.32Å; I100-D103 CarbonylContact O-C 3.57Å; I100-D103 WeakPolarHBondContact O-CB 3.48Å; I100-D103 PolarHBondContact O-N 2.88Å; I100-D103 VanDerWaalsContact O-N 3.16Å; V101-D103 VanDerWaalsContact C-N 3.33Å; V101-D103 PolarHBondContact O-N 2.78Å; D103-L105 VanDerWaalsContact C-N 3.26Å; D103-L105 PolarHBondContact O-N 3.09Å; D103-A106 PolarHBondContact O-N 2.74Å; D103-I107 PolarHBondContact O-N 3.16Å; D103-L112 HydrophobicContact CB-CD1 3.58Å; D103-L112 WeakPolarHBondContact OD1-CD1 3.21Å; D103-Y117 VanDerWaalsContact CG-OH 3.31Å; D103-Y117 PolarHBondContact OD1-OH 2.91Å; D103-Y117 PolarHBondContact OD2-OH 3.16Å
104I98.2Very high97.4Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-55.1-43.9173.3-77.6171.3000109.7L63 I74 I100 V101 I107 R108 I260L63-I104 HydrophobicContact CD2-CG1 3.69Å; I74-I104 HydrophobicContact CD1-CD1 4.04Å; I74-I104 HydrophobicContact CG1-CG2 4.48Å; I74-I104 HydrophobicContact CG2-CG2 4.14Å; I100-I104 HydrophobicContact CG2-CD1 4.34Å; I100-I104 HydrophobicContact CG2-CG1 4.46Å; I100-I104 WeakPolarHBondContact O-CB 3.45Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 2.91Å; V101-I104 WeakPolarHBondContact O-CB 3.46Å; V101-I104 PolarHBondContact O-N 3.11Å; I104-I107 WeakPolarHBondContact O-CG2 3.31Å; I104-R108 VanDerWaalsContact O-CD 3.31Å; I104-R108 WeakPolarHBondContact O-CD 3.39Å; I104-R108 WeakPolarHBondContact O-CG 3.27Å; I104-R108 PolarHBondContact O-NH1 2.96Å; I104-I260 HydrophobicContact CG2-CD1 4.23Å
105L98.1Very high97.5Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-73.3-45.4177.5-63.6176.3000111.7L76 L80 Y89 V101 A102 D103 I107 R108 Q109 V228 I260 I262L76-L105 HydrophobicContact CD1-CD2 4.38Å; L76-L105 HydrophobicContact CD2-CD2 3.75Å; L80-L105 HydrophobicContact CD2-CD2 4.1Å; Y89-L105 HydrophobicContact CE2-CD1 3.74Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 2.92Å; V101-L105 VanDerWaalsContact O-N 3.17Å; A102-L105 PolarHBondContact O-N 3.49Å; D103-L105 VanDerWaalsContact C-N 3.26Å; D103-L105 PolarHBondContact O-N 3.09Å; L105-I107 PolarHBondContact O-N 3.32Å; L105-R108 WeakPolarHBondContact O-CB 3.46Å; L105-R108 PolarHBondContact O-N 3.38Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L105-Q109 PolarHBondContact O-N 2.98Å; L105-V228 HydrophobicContact CD1-CG1 4.08Å; L105-V228 HydrophobicContact CD1-CG2 4.23Å; L105-I260 HydrophobicContact CD1-CG2 3.93Å; L105-I260 HydrophobicContact CD2-CD1 4.45Å; L105-I260 HydrophobicContact CD2-CG2 4.29Å; L105-I262 HydrophobicContact CD1-CD1 3.8Å; L105-I262 HydrophobicContact CD1-CG1 4.27Å; L105-I262 HydrophobicContact CD2-CD1 3.48Å; L105-I262 VanDerWaalsContact CD2-CD1 3.48Å; L105-I262 HydrophobicContact CG-CD1 4.25Å
106A98.2Very high97.5Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-61.3-39.5-17900000112.9A102 D103 R108 Q109 N110 A111 L112 V115 Y167A102-A106 WeakPolarHBondContact O-CB 3.45Å; A102-A106 PolarHBondContact O-N 3.31Å; D103-A106 PolarHBondContact O-N 2.74Å; A106-R108 PolarHBondContact O-N 3Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 PolarHBondContact O-N 3.14Å; A106-Q109 VanDerWaalsContact O-N 3.13Å; A106-N110 PolarHBondContact O-N 2.81Å; A106-A111 HydrophobicContact CB-CB 4.4Å; A106-A111 PolarHBondContact O-N 3.21Å; A106-L112 HydrophobicContact CB-CD1 4.38Å; A106-V115 HydrophobicContact CB-CG2 3.36Å; A106-Y167 HydrophobicContact CB-CD2 4.46Å; A106-Y167 HydrophobicContact CB-CE1 4.41Å; A106-Y167 HydrophobicContact CB-CE2 4.34Å
107I97.6Very high97.6Very high8 Ų813.4 Ų13.44%0.0416%0.062CC..Hα-helixtrans-66-28.2177.8-161.3171.7000112.3L63 D103 I104 L105 Q109 N110 L112 L316 K320 T321L63-I107 HydrophobicContact CD1-CB 3.71Å; L63-I107 HydrophobicContact CD1-CD1 3.81Å; L63-I107 HydrophobicContact CD1-CG1 4.33Å; L63-I107 HydrophobicContact CD1-CG2 3.51Å; D103-I107 PolarHBondContact O-N 3.16Å; I104-I107 WeakPolarHBondContact O-CG2 3.31Å; L105-I107 PolarHBondContact O-N 3.32Å; I107-Q109 PolarHBondContact O-N 3.37Å; I107-N110 PolarHBondContact O-N 3.4Å; I107-L112 HydrophobicContact CB-CB 4.3Å; I107-L112 HydrophobicContact CB-CD2 4.13Å; I107-L112 HydrophobicContact CD1-CD2 3.94Å; I107-L112 HydrophobicContact CG1-CD2 4.07Å; I107-L316 HydrophobicContact CD1-CD1 4.4Å; I107-L316 HydrophobicContact CD1-CD2 4.28Å; I107-L316 HydrophobicContact CG2-CD1 3.75Å; I107-L316 HydrophobicContact CG2-CD2 4.04Å; I107-K320 HydrophobicContact CD1-CB 4.09Å; I107-K320 HydrophobicContact CG1-CD 4.32Å; I107-K320 PolarHBondContact O-NZ 3.24Å; I107-T321 HydrophobicContact CD1-CG2 4.16Å
108R96.4Very high97.6Very high37 Ų3714.4 Ų14.414%0.147%0.068CC..Hα-helixtrans-69-27.1176.8-70.9164.4171.765.7-4.6111.5E67 L80 I104 L105 A106 S314E67-R108 IonicContact OE1-CZ 3.97Å; E67-R108 IonicContact OE1-NH1 2.99Å; E67-R108 IonicContact OE1-NH2 3.37Å; E67-R108 PolarHBondContact OE1-NH2 3.07Å; E67-R108 IonicContact OE2-CZ 3.76Å; E67-R108 IonicContact OE2-NH1 3.32Å; E67-R108 PolarHBondContact OE2-NH1 3.48Å; E67-R108 IonicContact OE2-NH2 2.64Å; E67-R108 PolarHBondContact OE2-NH2 2.65Å; L80-R108 HydrophobicContact CD2-CB 3.86Å; I104-R108 VanDerWaalsContact O-CD 3.31Å; I104-R108 WeakPolarHBondContact O-CD 3.39Å; I104-R108 WeakPolarHBondContact O-CG 3.27Å; I104-R108 PolarHBondContact O-NH1 2.96Å; L105-R108 WeakPolarHBondContact O-CB 3.46Å; L105-R108 PolarHBondContact O-N 3.38Å; L105-R108 VanDerWaalsContact O-N 3.09Å; A106-R108 PolarHBondContact O-N 3Å; R108-S314 PolarHBondContact NE-OG 2.73Å; R108-S314 PolarHBondContact NH2-O 2.67Å
109Q95.3Very high97.4Very high4 Ų415.4 Ų15.42%0.0197%0.073CC..THydrogen-bonded Turntrans-97.97.8176-54.7-177.8-74.300113.4L80 P81 N83 L105 A106 I107 A111 Y226L80-Q109 HydrophobicContact CD1-CG 4.13Å; L80-Q109 HydrophobicContact CD2-CG 4.16Å; L80-Q109 HydrophobicContact CG-CG 4.09Å; P81-Q109 WeakPolarHBondContact O-CG 3.42Å; P81-Q109 PolarHBondContact O-NE2 3.16Å; N83-Q109 PolarHBondContact O-NE2 3.29Å; L105-Q109 PolarHBondContact O-N 2.98Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 PolarHBondContact O-N 3.14Å; A106-Q109 VanDerWaalsContact O-N 3.13Å; I107-Q109 PolarHBondContact O-N 3.37Å; Q109-A111 HydrophobicContact CB-CB 4.26Å; Q109-A111 PolarHBondContact O-N 2.9Å; Q109-Y226 PolarHBondContact NE2-OH 3.45Å
110N95.6Very high97.2Very high107 Ų10719.5 Ų19.557%0.5729%0.093SC*.THydrogen-bonded Turntrans54.929.4-172.6-54.4-42.6000113.2K84 A106 I107 K320K84-N110 WeakPolarHBondContact CE-O 3.38Å; K84-N110 PolarHBondContact NZ-O 3.01Å; A106-N110 PolarHBondContact O-N 2.81Å; I107-N110 PolarHBondContact O-N 3.4Å; N110-K320 PolarHBondContact OD1-NZ 2.85Å
111A97.2Very high96.8Very high1 Ų121.7 Ų21.71%0.00810%0.103CC..  trans-104.35.4-176.600000113.6K84 A106 Q109 G113 H114 Y167K84-A111 HydrophobicContact CG-CB 4.11Å; A106-A111 HydrophobicContact CB-CB 4.4Å; A106-A111 PolarHBondContact O-N 3.21Å; Q109-A111 HydrophobicContact CB-CB 4.26Å; Q109-A111 PolarHBondContact O-N 2.9Å; A111-G113 VanDerWaalsContact C-N 3.27Å; A111-G113 PolarHBondContact O-N 3.34Å; A111-G113 VanDerWaalsContact O-N 3.16Å; A111-H114 WeakPolarHBondContact O-CA 3.41Å; A111-H114 WeakPolarHBondContact O-CB 3.39Å; A111-H114 PolarHBondContact O-N 2.87Å; A111-Y167 HydrophobicContact CB-CD2 4.11Å
112L97.9Very high96.5Very high1 Ų123.8 Ų23.81%0.00513%0.125CC..G310 helixtrans-55.8-37.4-172.8-17161.6000114Y55 Q59 S60 L63 D103 A106 I107 H114 V115Y55-L112 VanDerWaalsContact CD1-O 3.29Å; Y55-L112 WeakPolarHBondContact CD1-O 3.29Å; Y55-L112 WeakPolarHBondContact CE1-O 3.17Å; Q59-L112 HydrophobicContact CB-CD1 3.81Å; Q59-L112 HydrophobicContact CB-CD2 3.59Å; Q59-L112 HydrophobicContact CB-CG 3.69Å; Q59-L112 HydrophobicContact CG-CD1 4.47Å; S60-L112 WeakPolarHBondContact OG-CD2 3.48Å; L63-L112 HydrophobicContact CD1-CD1 4.33Å; L63-L112 HydrophobicContact CD1-CD2 4.11Å; D103-L112 HydrophobicContact CB-CD1 3.58Å; D103-L112 WeakPolarHBondContact OD1-CD1 3.21Å; A106-L112 HydrophobicContact CB-CD1 4.38Å; I107-L112 HydrophobicContact CB-CB 4.3Å; I107-L112 HydrophobicContact CB-CD2 4.13Å; I107-L112 HydrophobicContact CD1-CD2 3.94Å; I107-L112 HydrophobicContact CG1-CD2 4.07Å; L112-H114 PolarHBondContact O-N 3.22Å; L112-V115 HydrophobicContact CD1-CG2 4.45Å; L112-V115 WeakPolarHBondContact O-CG2 3.49Å; L112-V115 PolarHBondContact O-N 3.36Å
113G97.4Very high96.2Very high4 Ų426.9 Ų26.94%0.04114%0.141CC..G310 helixtrans-65.4-17.7175.800000115D52 A111 R116 H136D52-G113 WeakPolarHBondContact CB-O 2.84Å; D52-G113 WeakPolarHBondContact O-CA 3.06Å; A111-G113 VanDerWaalsContact C-N 3.27Å; A111-G113 PolarHBondContact O-N 3.34Å; A111-G113 VanDerWaalsContact O-N 3.16Å; G113-R116 PolarHBondContact O-NH1 3.06Å; G113-H136 PolarHBondContact O-CE1 2.98Å; G113-H136 PolarHBondContact O-NE2 3.16Å
114H95.8Very high95.9Very high24 Ų2427.9 Ų27.911%0.11115%0.145CC..G310 helixtrans-101.3-1-172.3-49.7-25.4000112.3D52 K84 A111 L112 R116 P165 Y167D52-H114 IonicContact OD2-CE1 2.84Å; D52-H114 PolarHBondContact OD2-CE1 3.02Å; D52-H114 IonicContact OD2-CG 3.6Å; D52-H114 IonicContact OD2-ND1 3.64Å; D52-H114 PolarHBondContact OD2-ND1 3.43Å; K84-H114 VanDerWaalsContact CD-CD2 3.44Å; K84-H114 WeakPolarHBondContact CD-CD2 3.33Å; K84-H114 WeakPolarHBondContact CD-NE2 3.26Å; K84-H114 VanDerWaalsContact CE-NE2 3.34Å; K84-H114 WeakPolarHBondContact CE-NE2 3.4Å; K84-H114 PolarHBondContact NZ-CD2 3.04Å; K84-H114 PolarHBondContact NZ-NE2 2.99Å; A111-H114 WeakPolarHBondContact O-CA 3.41Å; A111-H114 WeakPolarHBondContact O-CB 3.39Å; A111-H114 PolarHBondContact O-N 2.87Å; L112-H114 PolarHBondContact O-N 3.22Å; H114-R116 PolarHBondContact O-N 3.41Å; H114-P165 HydrophobicContact CB-CB 4.18Å; H114-P165 VanDerWaalsContact CD2-CB 3.4Å; H114-P165 WeakPolarHBondContact CD2-CB 3.41Å; H114-Y167 PolarHBondContact O-N 2.76Å
115V98.4Very high95.6Very high0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-68128.8179.4-171.60000108.7Y55 A106 L112 Y117 Y167 V169Y55-V115 HydrophobicContact CE1-CB 4.29Å; A106-V115 HydrophobicContact CB-CG2 3.36Å; L112-V115 HydrophobicContact CD1-CG2 4.45Å; L112-V115 WeakPolarHBondContact O-CG2 3.49Å; L112-V115 PolarHBondContact O-N 3.36Å; V115-Y117 HydrophobicContact CB-CE2 4.3Å; V115-Y117 HydrophobicContact CG1-CD2 4.08Å; V115-Y117 HydrophobicContact CG1-CE1 4.31Å; V115-Y117 HydrophobicContact CG1-CE2 3.34Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.48Å; V115-Y167 WeakPolarHBondContact CA-O 3.29Å; V115-Y167 HydrophobicContact CG1-CD1 4.45Å; V115-Y167 HydrophobicContact CG2-CD1 4.2Å; V115-Y167 HydrophobicContact CG2-CG 4.31Å; V115-V169 HydrophobicContact CG1-CG2 3.72Å
116R97.8Very high95.4Very high2 Ų237.2 Ų37.21%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-129.6148.8176.8-59.9-62.3-175.1-89.43.5107.4D52 G113 H114 H136 M166 Y167 L168 V169D52-R116 IonicContact OD1-CZ 3.68Å; D52-R116 IonicContact OD1-NH1 2.74Å; D52-R116 IonicContact OD1-NH2 3.71Å; D52-R116 PolarHBondContact OD1-NH2 3.48Å; G113-R116 PolarHBondContact O-NH1 3.06Å; H114-R116 PolarHBondContact O-N 3.41Å; R116-H136 WeakPolarHBondContact CD-O 3.32Å; R116-H136 VanDerWaalsContact CZ-CE1 3.4Å; R116-H136 PolarHBondContact NE-O 2.92Å; R116-H136 VanDerWaalsContact NE-O 3.16Å; R116-H136 PolarHBondContact NH1-CE1 2.72Å; R116-H136 PolarHBondContact NH1-NE2 3.03Å; R116-H136 PolarHBondContact NH2-CE1 3.43Å; R116-M166 HydrophobicContact CB-CE 4.27Å; R116-M166 HydrophobicContact CG-CE 3.98Å; R116-M166 HydrophobicContact CG-SD 4.18Å; R116-Y167 PolarHBondContact N-O 3.23Å; R116-L168 HydrophobicContact CB-CD1 3.95Å; R116-L168 CarbonylContact O-C 3.41Å; R116-L168 WeakPolarHBondContact O-CA 3.34Å; R116-V169 PolarHBondContact O-N 3.37Å
117Y97.8Very high95.1Very high18 Ų1839.8 Ų39.87%0.07120%0.203CC..EExtended strand (participates in β ladder)trans-125.8140.3-174.6-69.1-92.2000111.7Y55 W99 D103 V115 L119 G138 I139 V169Y55-Y117 WeakPolarHBondContact OH-CE2 3.47Å; W99-Y117 HydrophobicContact CB-CD1 4.36Å; W99-Y117 HydrophobicContact CB-CE1 3.6Å; W99-Y117 PolarHBondContact O-OH 2.89Å; D103-Y117 VanDerWaalsContact CG-OH 3.31Å; D103-Y117 PolarHBondContact OD1-OH 2.91Å; D103-Y117 PolarHBondContact OD2-OH 3.16Å; V115-Y117 HydrophobicContact CB-CE2 4.3Å; V115-Y117 HydrophobicContact CG1-CD2 4.08Å; V115-Y117 HydrophobicContact CG1-CE1 4.31Å; V115-Y117 HydrophobicContact CG1-CE2 3.34Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.48Å; Y117-L119 VanDerWaalsContact CB-CD2 3.42Å; Y117-L119 HydrophobicContact CG-CD2 4.16Å; Y117-L119 PolarHBondContact O-N 3.39Å; Y117-G138 WeakPolarHBondContact O-CA 3.28Å; Y117-I139 PolarHBondContact O-N 3.19Å; Y117-V169 HydrophobicContact CD1-CB 3.47Å; Y117-V169 VanDerWaalsContact CD1-CB 3.47Å; Y117-V169 HydrophobicContact CD1-CG1 3.6Å; Y117-V169 HydrophobicContact CD1-CG2 4.06Å; Y117-V169 HydrophobicContact CE1-CB 3.64Å; Y117-V169 HydrophobicContact CE1-CG1 3.6Å; Y117-V169 HydrophobicContact CE1-CG2 3.75Å; Y117-V169 HydrophobicContact CG-CB 4.23Å
118V97.1Very high94.9Very high21 Ų2140 Ų4013%0.12720%0.203CC..EExtended strand (participates in β ladder)trans-78.8112.3153.7177.50000107.6I139 V141 M152 L168 V169 I170V118-I139 CarbonylContact C-O 3.53Å; V118-I139 WeakPolarHBondContact CA-O 3.21Å; V118-I139 HydrophobicContact CG2-CB 4.43Å; V118-V141 HydrophobicContact CG1-CB 4.34Å; V118-V141 HydrophobicContact CG1-CG1 3.68Å; V118-V141 HydrophobicContact CG1-CG2 3.65Å; V118-M152 HydrophobicContact CG2-CE 4.07Å; V118-L168 HydrophobicContact CG2-CD1 4.35Å; V118-V169 PolarHBondContact N-O 2.93Å; V118-I170 HydrophobicContact CB-CG1 4.45Å; V118-I170 HydrophobicContact CG2-CD1 4.29Å; V118-I170 HydrophobicContact CG2-CG1 3.84Å
119L94.8Very high94.8Very high21 Ų2139.2 Ų39.211%0.1120%0.201CC..EExtended strand (participates in β ladder)trans-108.8144.9-167.3-66.1170.2000111.5Y117 E121 L123 F133 I139 Y140 V141Y117-L119 VanDerWaalsContact CB-CD2 3.42Å; Y117-L119 HydrophobicContact CG-CD2 4.16Å; Y117-L119 PolarHBondContact O-N 3.39Å; L119-E121 PolarHBondContact O-N 3.49Å; L119-L123 HydrophobicContact CB-CD1 4.22Å; L119-L123 HydrophobicContact CD2-CD1 3.87Å; L119-F133 HydrophobicContact CD1-CB 3.86Å; L119-F133 HydrophobicContact CD1-CD2 4.33Å; L119-F133 HydrophobicContact CD1-CG 4.33Å; L119-I139 PolarHBondContact N-O 2.7Å; L119-Y140 HydrophobicContact CB-CD1 3.64Å; L119-Y140 HydrophobicContact CB-CE1 3.75Å; L119-Y140 HydrophobicContact CD1-CD1 4.3Å; L119-Y140 HydrophobicContact CD1-CE1 3.68Å; L119-Y140 HydrophobicContact CG-CE1 4.38Å; L119-Y140 CarbonylContact O-C 3.55Å; L119-Y140 WeakPolarHBondContact O-CA 3.47Å; L119-V141 WeakPolarHBondContact O-CG2 3.43Å; L119-V141 PolarHBondContact O-N 2.93Å
120K92.8Very high94.7Very high162 Ų16239 Ų3970%0.70420%0.2SC*.EExtended strand (participates in β ladder)trans-59.3129.6166.4-178.5-177.7179.6-176.40109G122 L123K120-G122 PolarHBondContact O-N 3Å; K120-G122 VanDerWaalsContact O-N 3.08Å; K120-L123 HydrophobicContact CB-CD1 4.43Å; K120-L123 HydrophobicContact CB-CG 4.5Å; K120-L123 VanDerWaalsContact O-CB 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.39Å; K120-L123 PolarHBondContact O-N 2.66Å
121E91.3Very high94.5Very high46 Ų4635 Ų3522%0.21518%0.18CC..G310 helixtrans-53.1-37.9-175.7-171.6-159.6-161.500113.5L119 L123 K124 V141 K142L119-E121 PolarHBondContact O-N 3.49Å; E121-L123 PolarHBondContact O-N 3.22Å; E121-K124 HydrophobicContact CG-CD 3.77Å; E121-K124 WeakPolarHBondContact O-CB 3.4Å; E121-K124 WeakPolarHBondContact O-CG 3.31Å; E121-K124 PolarHBondContact O-N 3.08Å; E121-K124 WeakPolarHBondContact OE1-CE 3.34Å; E121-K124 IonicContact OE1-NZ 3.67Å; E121-K124 PolarHBondContact OE1-NZ 3.33Å; E121-V141 WeakPolarHBondContact CB-O 3.35Å; E121-V141 PolarHBondContact N-O 3.22Å; E121-K142 HydrophobicContact CB-CG 4.02Å; E121-K142 HydrophobicContact CG-CG 4.26Å; E121-K142 WeakPolarHBondContact OE1-CE 3.27Å; E121-K142 IonicContact OE1-NZ 2.72Å; E121-K142 WeakPolarHBondContact OE2-CD 3.38Å; E121-K142 WeakPolarHBondContact OE2-CE 3.48Å; E121-K142 WeakPolarHBondContact OE2-CG 3.3Å; E121-K142 IonicContact OE2-NZ 3.79Å
122G91.1Very high94.4Very high43 Ų4335.2 Ų35.244%0.44318%0.181SC..G310 helixtrans-54.1-23.9178.200000114.6K120 K124 W125K120-G122 PolarHBondContact O-N 3Å; K120-G122 VanDerWaalsContact O-N 3.08Å; G122-K124 PolarHBondContact O-N 3.33Å; G122-W125 PolarHBondContact O-N 3.45Å
123L92.6Very high94.2Very high65 Ų6537.1 Ų37.134%0.3419%0.189SC..G310 helixtrans-66.8-17.3176.2-67173.4000113.5L119 K120 E121 W125 L126 G130 Y140L119-L123 HydrophobicContact CB-CD1 4.22Å; L119-L123 HydrophobicContact CD2-CD1 3.87Å; K120-L123 HydrophobicContact CB-CD1 4.43Å; K120-L123 HydrophobicContact CB-CG 4.5Å; K120-L123 VanDerWaalsContact O-CB 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.39Å; K120-L123 PolarHBondContact O-N 2.66Å; E121-L123 PolarHBondContact O-N 3.22Å; L123-W125 PolarHBondContact O-N 3.37Å; L123-L126 VanDerWaalsContact O-CB 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.09Å; L123-L126 PolarHBondContact O-N 3.34Å; L123-G130 WeakPolarHBondContact O-CA 3.21Å; L123-Y140 HydrophobicContact CB-CE1 4.03Å
124K92.5Very high94Very high21 Ų2137.2 Ų37.29%0.09119%0.19CC..G310 helixtrans-61.1-23.6173.178.7-172.6-180172.90112.7E121 G122 G130 Y140 V360E121-K124 HydrophobicContact CG-CD 3.77Å; E121-K124 WeakPolarHBondContact O-CB 3.4Å; E121-K124 WeakPolarHBondContact O-CG 3.31Å; E121-K124 PolarHBondContact O-N 3.08Å; E121-K124 WeakPolarHBondContact OE1-CE 3.34Å; E121-K124 IonicContact OE1-NZ 3.67Å; E121-K124 PolarHBondContact OE1-NZ 3.33Å; G122-K124 PolarHBondContact O-N 3.33Å; K124-G130 WeakPolarHBondContact O-CA 3.29Å; K124-Y140 HydrophobicContact CB-CD1 4.28Å; K124-Y140 HydrophobicContact CB-CD2 4.08Å; K124-Y140 HydrophobicContact CB-CE1 4Å; K124-Y140 HydrophobicContact CB-CE2 3.75Å; K124-Y140 HydrophobicContact CB-CG 4.33Å; K124-V360 HydrophobicContact CB-CG2 3.95Å; K124-V360 HydrophobicContact CD-CG1 3.53Å; K124-V360 HydrophobicContact CD-CG2 4.34Å; K124-V360 HydrophobicContact CG-CB 4.49Å; K124-V360 HydrophobicContact CG-CG1 3.69Å; K124-V360 HydrophobicContact CG-CG2 3.87Å; K124-V360 WeakPolarHBondContact O-CG2 3.49Å
125W92.8Very high93.8Very high121 Ų12138 Ų3846%0.45819%0.194SC..G310 helixtrans-90.52.3178.1-60.6107.3000113.7G122 L123 P127 C357 V360G122-W125 PolarHBondContact O-N 3.45Å; L123-W125 PolarHBondContact O-N 3.37Å; W125-P127 WeakPolarHBondContact O-CD 3.05Å; W125-C357 HydrophobicContact CE3-CB 4.42Å; W125-C357 HydrophobicContact CZ3-CB 4.11Å; W125-V360 HydrophobicContact CD2-CG1 3.93Å; W125-V360 HydrophobicContact CE3-CB 4.28Å; W125-V360 HydrophobicContact CE3-CG1 4.04Å; W125-V360 HydrophobicContact CH2-CB 4.1Å; W125-V360 HydrophobicContact CH2-CG1 3.48Å; W125-V360 VanDerWaalsContact CH2-CG1 3.48Å; W125-V360 HydrophobicContact CZ2-CB 4.4Å; W125-V360 HydrophobicContact CZ2-CG1 3.34Å; W125-V360 HydrophobicContact CZ3-CB 4.03Å; W125-V360 HydrophobicContact CZ3-CG1 3.83Å
126L93Very high93.7Very high75 Ų7538.3 Ų38.339%0.39320%0.195SC..SBendtrans-65.8122177.9-169.665.2000109.1L123 L128 Y129 G130 F133L123-L126 VanDerWaalsContact O-CB 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.09Å; L123-L126 PolarHBondContact O-N 3.34Å; L126-L128 PolarHBondContact O-N 3.26Å; L126-Y129 HydrophobicContact CD2-CD2 3.83Å; L126-Y129 HydrophobicContact CD2-CG 4.08Å; L126-Y129 HydrophobicContact CG-CD2 3.97Å; L126-Y129 HydrophobicContact CG-CG 4.49Å; L126-Y129 PolarHBondContact O-N 3.4Å; L126-G130 PolarHBondContact O-N 2.85Å; L126-F133 HydrophobicContact CD2-CE2 4Å
127P93Very high93.5Very high55 Ų5538.2 Ų38.236%0.35720%0.195SC..THydrogen-bonded Turntrans-52134.1-178.3-30.437.8000111.7W125 Y129 W349 T353W125-P127 WeakPolarHBondContact O-CD 3.05Å; P127-Y129 WeakPolarHBondContact O-CD2 3.31Å; P127-Y129 PolarHBondContact O-N 2.96Å; P127-W349 HydrophobicContact CB-CZ3 4.26Å; P127-T353 HydrophobicContact CB-CG2 3.83Å; P127-T353 HydrophobicContact CG-CG2 4.2Å
128L93.2Very high93.4Very high11 Ų1137.5 Ų37.56%0.05819%0.193CC..THydrogen-bonded Turntrans64.7-40.9-175.2-55.8-174.4000116.1A25 P26 V29 L126 T348 W349A25-L128 HydrophobicContact CB-CD1 3.96Å; P26-L128 HydrophobicContact CG-CD1 4Å; V29-L128 HydrophobicContact CG2-CB 4.06Å; L126-L128 PolarHBondContact O-N 3.26Å; L128-T348 WeakPolarHBondContact CD2-O 3.46Å; L128-W349 HydrophobicContact CD1-CD2 3.77Å; L128-W349 HydrophobicContact CD1-CE3 3.41Å; L128-W349 VanDerWaalsContact CD1-CE3 3.41Å; L128-W349 HydrophobicContact CD1-CH2 3.87Å; L128-W349 HydrophobicContact CD1-CZ2 4.22Å; L128-W349 HydrophobicContact CD1-CZ3 3.46Å; L128-W349 VanDerWaalsContact CD1-CZ3 3.46Å; L128-W349 HydrophobicContact CG-CE3 3.76Å; L128-W349 HydrophobicContact CG-CZ3 3.78Å
129Y93.7Very high93.3Very high21 Ų2136.8 Ų36.88%0.08219%0.188CC..Hα-helixtrans-85.6-31.7-171.8-61.4-79.6000114.3L22 A25 Y58 L126 P127 C131 Y132 F133L22-Y129 HydrophobicContact CD2-CE2 4.45Å; A25-Y129 HydrophobicContact CB-CE1 4.34Å; A25-Y129 HydrophobicContact CB-CE2 4.08Å; A25-Y129 WeakPolarHBondContact CB-OH 3.5Å; Y58-Y129 AromaticContact CE1-CE1 3.98Å; Y58-Y129 HydrophobicContact CE1-CE1 3.98Å; Y58-Y129 AromaticContact CZ-CE1 3.9Å; Y58-Y129 PolarHBondContact OH-OH 3.26Å; L126-Y129 HydrophobicContact CD2-CD2 3.83Å; L126-Y129 HydrophobicContact CD2-CG 4.08Å; L126-Y129 HydrophobicContact CG-CD2 3.97Å; L126-Y129 HydrophobicContact CG-CG 4.49Å; L126-Y129 PolarHBondContact O-N 3.4Å; P127-Y129 WeakPolarHBondContact O-CD2 3.31Å; P127-Y129 PolarHBondContact O-N 2.96Å; Y129-C131 PolarHBondContact O-N 3.32Å; Y129-Y132 CarbonylContact O-C 3.57Å; Y129-Y132 WeakPolarHBondContact O-CB 3.25Å; Y129-Y132 PolarHBondContact O-N 3.45Å; Y129-Y132 VanDerWaalsContact O-N 3.09Å; Y129-F133 HydrophobicContact CD1-CE1 4.21Å; Y129-F133 HydrophobicContact CD1-CZ 4.06Å; Y129-F133 HydrophobicContact CG-CE2 4.49Å; Y129-F133 HydrophobicContact CG-CZ 4.13Å; Y129-F133 VanDerWaalsContact O-CG 3.3Å; Y129-F133 WeakPolarHBondContact O-CG 3.35Å; Y129-F133 PolarHBondContact O-N 2.99Å
130G92.6Very high93.2Very high1 Ų137.1 Ų37.11%0.0119%0.188CC..Hα-helixtrans-60.9-44.7-170.600000113.7L123 K124 L126 A134 Y140L123-G130 WeakPolarHBondContact O-CA 3.21Å; K124-G130 WeakPolarHBondContact O-CA 3.29Å; L126-G130 PolarHBondContact O-N 2.85Å; G130-A134 PolarHBondContact O-N 3.47Å; G130-Y140 PolarHBondContact O-OH 3.2Å
131C91.5Very high93.1Very high23 Ų2331.1 Ų31.116%0.15517%0.165CC..Hα-helixtrans-66.6-44.3172.5-178.90000111Y129 F133 A134 Q135 W359Y129-C131 PolarHBondContact O-N 3.32Å; C131-F133 PolarHBondContact O-N 2.92Å; C131-A134 WeakPolarHBondContact O-CB 3.21Å; C131-A134 PolarHBondContact O-N 3.42Å; C131-A134 VanDerWaalsContact O-N 3.13Å; C131-Q135 WeakPolarHBondContact O-CG 3.46Å; C131-Q135 PolarHBondContact O-N 2.9Å; C131-Q135 VanDerWaalsContact O-N 3.16Å; C131-W359 HydrophobicContact CB-CD2 4.31Å; C131-W359 HydrophobicContact CB-CE3 4.12Å
132Y94.8Very high92.8Very high4 Ų434.2 Ų34.22%0.01618%0.178CC..Hα-helixtrans-57.5-50.1179.7174.1-101.5000112.3Y28 W32 D51 Y55 Y129 A134 Q135 H136Y28-Y132 HydrophobicContact CE1-CD1 4.07Å; Y28-Y132 HydrophobicContact CE1-CD2 4.25Å; Y28-Y132 AromaticContact CE1-CE1 3.82Å; Y28-Y132 HydrophobicContact CE1-CE1 3.82Å; Y28-Y132 HydrophobicContact CE1-CE2 4.02Å; Y28-Y132 HydrophobicContact CE1-CG 4.3Å; Y28-Y132 AromaticContact CE1-CZ 3.83Å; Y28-Y132 AromaticContact CZ-CZ 3.81Å; Y28-Y132 WeakPolarHBondContact OH-CE1 3.36Å; Y28-Y132 PolarHBondContact OH-OH 3.46Å; W32-Y132 AromaticContact CD1-CD2 3.82Å; W32-Y132 AromaticContact CD1-CE2 3.47Å; W32-Y132 VanDerWaalsContact CD1-CE2 3.47Å; W32-Y132 AromaticContact CD2-CD2 3.69Å; W32-Y132 HydrophobicContact CD2-CD2 3.69Å; W32-Y132 HydrophobicContact CD2-CE2 4.16Å; W32-Y132 AromaticContact CE2-CD2 3.67Å; W32-Y132 HydrophobicContact CE3-CD2 4.29Å; W32-Y132 AromaticContact CG-CD2 3.8Å; W32-Y132 HydrophobicContact CG-CD2 3.8Å; W32-Y132 AromaticContact CG-CE2 3.8Å; W32-Y132 HydrophobicContact CG-CE2 3.8Å; W32-Y132 HydrophobicContact CZ2-CD2 4.26Å; W32-Y132 AromaticContact NE1-CD2 3.73Å; W32-Y132 AromaticContact NE1-CE2 3.63Å; D51-Y132 WeakPolarHBondContact OD1-CE2 3.28Å; D51-Y132 PolarHBondContact OD1-OH 2.83Å; D51-Y132 VanDerWaalsContact OD1-OH 3.08Å; Y55-Y132 AromaticContact CD2-CE1 3.81Å; Y55-Y132 HydrophobicContact CD2-CE1 3.81Å; Y55-Y132 WeakPolarHBondContact CD2-OH 3.27Å; Y55-Y132 HydrophobicContact CE2-CE1 4.18Å; Y129-Y132 CarbonylContact O-C 3.57Å; Y129-Y132 WeakPolarHBondContact O-CB 3.25Å; Y129-Y132 PolarHBondContact O-N 3.45Å; Y129-Y132 VanDerWaalsContact O-N 3.09Å; Y132-A134 PolarHBondContact O-N 2.93Å; Y132-Q135 CarbonylContact O-C 3.55Å; Y132-Q135 WeakPolarHBondContact O-CA 3.3Å; Y132-Q135 WeakPolarHBondContact O-CB 3.39Å; Y132-Q135 PolarHBondContact O-N 3.21Å; Y132-H136 HydrophobicContact CE1-CB 3.94Å; Y132-H136 HydrophobicContact CE2-CB 4.25Å; Y132-H136 AromaticContact CZ-CG 3.96Å; Y132-H136 PolarHBondContact O-N 3.33Å; Y132-H136 PolarHBondContact OH-ND1 3.36Å
133F95.1Very high92Very high41 Ų4138.3 Ų38.318%0.1818%0.18CC..Hα-helixtrans-56.8-36.1177.7-67.9-25.4000112.1L119 L126 Y129 C131 Q135 H136 G138 Y140L119-F133 HydrophobicContact CD1-CB 3.86Å; L119-F133 HydrophobicContact CD1-CD2 4.33Å; L119-F133 HydrophobicContact CD1-CG 4.33Å; L126-F133 HydrophobicContact CD2-CE2 4Å; Y129-F133 HydrophobicContact CD1-CE1 4.21Å; Y129-F133 HydrophobicContact CD1-CZ 4.06Å; Y129-F133 HydrophobicContact CG-CE2 4.49Å; Y129-F133 HydrophobicContact CG-CZ 4.13Å; Y129-F133 VanDerWaalsContact O-CG 3.3Å; Y129-F133 WeakPolarHBondContact O-CG 3.35Å; Y129-F133 PolarHBondContact O-N 2.99Å; C131-F133 PolarHBondContact O-N 2.92Å; F133-Q135 VanDerWaalsContact C-N 3.32Å; F133-Q135 PolarHBondContact O-N 3.38Å; F133-H136 CarbonylContact O-C 3.6Å; F133-H136 PolarHBondContact O-N 3.4Å; F133-G138 WeakPolarHBondContact O-CA 3.45Å; F133-G138 PolarHBondContact O-N 3.16Å; F133-Y140 WeakPolarHBondContact CB-OH 3.36Å
134A92.6Very high91Very high6 Ų641.3 Ų41.35%0.0521%0.206CC..Hα-helixtrans-68.7-31.8176.200000113.4G130 C131 Y132 Y140 K155 W359G130-A134 PolarHBondContact O-N 3.47Å; C131-A134 WeakPolarHBondContact O-CB 3.21Å; C131-A134 PolarHBondContact O-N 3.42Å; C131-A134 VanDerWaalsContact O-N 3.13Å; Y132-A134 PolarHBondContact O-N 2.93Å; A134-Y140 HydrophobicContact CB-CD2 4.45Å; A134-Y140 HydrophobicContact CB-CE2 3.68Å; A134-K155 PolarHBondContact O-NZ 3.32Å; A134-W359 HydrophobicContact CB-CH2 3.19Å; A134-W359 HydrophobicContact CB-CZ2 3.8Å; A134-W359 HydrophobicContact CB-CZ3 3.91Å
135Q92Very high90Very high42 Ų4242.5 Ų42.520%0.19622%0.22CC..Hα-helixtrans-79-33.9177.3-63.2-68.8-21.800111.7W32 C131 Y132 F133 G137 Y159W32-Q135 HydrophobicContact CH2-CG 4.31Å; W32-Q135 HydrophobicContact CZ2-CB 3.91Å; W32-Q135 HydrophobicContact CZ2-CG 3.84Å; C131-Q135 WeakPolarHBondContact O-CG 3.46Å; C131-Q135 PolarHBondContact O-N 2.9Å; C131-Q135 VanDerWaalsContact O-N 3.16Å; Y132-Q135 CarbonylContact O-C 3.55Å; Y132-Q135 WeakPolarHBondContact O-CA 3.3Å; Y132-Q135 WeakPolarHBondContact O-CB 3.39Å; Y132-Q135 PolarHBondContact O-N 3.21Å; F133-Q135 VanDerWaalsContact C-N 3.32Å; F133-Q135 PolarHBondContact O-N 3.38Å; Q135-G137 PolarHBondContact O-N 3.19Å; Q135-G137 VanDerWaalsContact O-N 3.16Å; Q135-Y159 PolarHBondContact O-OH 3.35Å
136H95.4Very high89.4Confident5 Ų546.2 Ų46.22%0.02324%0.239CC..THydrogen-bonded Turntrans-83.136.1169.2-162.766.1000111.5D51 D52 Y55 G113 R116 Y132 F133 G138D51-H136 IonicContact OD1-ND1 2.6Å; D51-H136 IonicContact OD2-CE1 3.55Å; D51-H136 IonicContact OD2-CG 3.45Å; D51-H136 IonicContact OD2-ND1 2.71Å; D51-H136 PolarHBondContact OD2-ND1 3.29Å; D52-H136 IonicContact OD1-CE1 4Å; Y55-H136 WeakPolarHBondContact CB-CE1 3.38Å; Y55-H136 WeakPolarHBondContact CB-NE2 3.21Å; Y55-H136 AromaticContact CD1-NE2 3.27Å; Y55-H136 VanDerWaalsContact CD1-NE2 3.27Å; Y55-H136 WeakPolarHBondContact CD1-NE2 3.41Å; Y55-H136 AromaticContact CD2-CD2 3.27Å; Y55-H136 WeakPolarHBondContact CD2-CD2 3.36Å; Y55-H136 AromaticContact CD2-CE1 3.88Å; Y55-H136 AromaticContact CD2-CG 3.88Å; Y55-H136 AromaticContact CD2-NE2 3.27Å; Y55-H136 VanDerWaalsContact CD2-NE2 3.27Å; Y55-H136 WeakPolarHBondContact CD2-NE2 3.42Å; Y55-H136 AromaticContact CE1-NE2 3.69Å; Y55-H136 AromaticContact CE2-CD2 3.39Å; Y55-H136 WeakPolarHBondContact CE2-CD2 3.39Å; Y55-H136 AromaticContact CE2-NE2 3.69Å; Y55-H136 AromaticContact CG-CD2 3.59Å; Y55-H136 AromaticContact CG-CE1 3.5Å; Y55-H136 VanDerWaalsContact CG-CE1 3.5Å; Y55-H136 AromaticContact CG-NE2 3.01Å; Y55-H136 AromaticContact CZ-CD2 3.82Å; Y55-H136 AromaticContact CZ-NE2 3.87Å; G113-H136 PolarHBondContact O-CE1 2.98Å; G113-H136 PolarHBondContact O-NE2 3.16Å; R116-H136 WeakPolarHBondContact CD-O 3.32Å; R116-H136 VanDerWaalsContact CZ-CE1 3.4Å; R116-H136 PolarHBondContact NE-O 2.92Å; R116-H136 VanDerWaalsContact NE-O 3.16Å; R116-H136 PolarHBondContact NH1-CE1 2.72Å; R116-H136 PolarHBondContact NH1-NE2 3.03Å; R116-H136 PolarHBondContact NH2-CE1 3.43Å; Y132-H136 HydrophobicContact CE1-CB 3.94Å; Y132-H136 HydrophobicContact CE2-CB 4.25Å; Y132-H136 AromaticContact CZ-CG 3.96Å; Y132-H136 PolarHBondContact O-N 3.33Å; Y132-H136 PolarHBondContact OH-ND1 3.36Å; F133-H136 CarbonylContact O-C 3.6Å; F133-H136 PolarHBondContact O-N 3.4Å; H136-G138 VanDerWaalsContact C-N 3.27Å; H136-G138 PolarHBondContact O-N 3.15Å; H136-G138 VanDerWaalsContact O-N 3.09Å
137G94.3Very high89.1Confident1 Ų144.3 Ų44.31%0.0123%0.228CC..THydrogen-bonded Turntrans68.98.8169.300000117.6Q135 Y159Q135-G137 PolarHBondContact O-N 3.19Å; Q135-G137 VanDerWaalsContact O-N 3.16Å; G137-Y159 VanDerWaalsContact CA-CE2 3.49Å; G137-Y159 VanDerWaalsContact CA-CZ 3.44Å; G137-Y159 WeakPolarHBondContact CA-OH 3.41Å; G137-Y159 PolarHBondContact N-OH 2.73Å
138G95Very high88.9Confident3 Ų345.7 Ų45.73%0.03123%0.232CC..  trans-60.7138.2171.300000112.3Y117 F133 H136 K155Y117-G138 WeakPolarHBondContact O-CA 3.28Å; F133-G138 WeakPolarHBondContact O-CA 3.45Å; F133-G138 PolarHBondContact O-N 3.16Å; H136-G138 VanDerWaalsContact C-N 3.27Å; H136-G138 PolarHBondContact O-N 3.15Å; H136-G138 VanDerWaalsContact O-N 3.09Å; G138-K155 PolarHBondContact O-NZ 2.99Å
139I94.8Very high88.9Confident5 Ų548.8 Ų48.83%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-115.4109.1-175-55.6171.9000108.4Y117 V118 L119 M152 K155 L156 L168Y117-I139 PolarHBondContact O-N 3.19Å; V118-I139 CarbonylContact C-O 3.53Å; V118-I139 WeakPolarHBondContact CA-O 3.21Å; V118-I139 HydrophobicContact CG2-CB 4.43Å; L119-I139 PolarHBondContact N-O 2.7Å; I139-M152 HydrophobicContact CD1-CE 4.16Å; I139-M152 HydrophobicContact CD1-CG 4.03Å; I139-M152 HydrophobicContact CD1-SD 4.34Å; I139-M152 HydrophobicContact CG2-CB 4.01Å; I139-M152 HydrophobicContact CG2-CG 4.02Å; I139-M152 HydrophobicContact CG2-SD 3.97Å; I139-K155 HydrophobicContact CG1-CD 3.8Å; I139-K155 HydrophobicContact CG1-CG 4.44Å; I139-L156 HydrophobicContact CD1-CD1 4.37Å; I139-L156 HydrophobicContact CD1-CD2 3.61Å; I139-L156 HydrophobicContact CD1-CG 3.84Å; I139-L168 HydrophobicContact CD1-CD1 4.31Å
140Y92.8Very high88.9Confident29 Ų2955 Ų5511%0.11427%0.274CS..EExtended strand (participates in β ladder)trans-81.1131.2-176.7-69-61.5000112.1L119 L123 K124 G130 F133 A134L119-Y140 HydrophobicContact CB-CD1 3.64Å; L119-Y140 HydrophobicContact CB-CE1 3.75Å; L119-Y140 HydrophobicContact CD1-CD1 4.3Å; L119-Y140 HydrophobicContact CD1-CE1 3.68Å; L119-Y140 HydrophobicContact CG-CE1 4.38Å; L119-Y140 CarbonylContact O-C 3.55Å; L119-Y140 WeakPolarHBondContact O-CA 3.47Å; L123-Y140 HydrophobicContact CB-CE1 4.03Å; K124-Y140 HydrophobicContact CB-CD1 4.28Å; K124-Y140 HydrophobicContact CB-CD2 4.08Å; K124-Y140 HydrophobicContact CB-CE1 4Å; K124-Y140 HydrophobicContact CB-CE2 3.75Å; K124-Y140 HydrophobicContact CB-CG 4.33Å; G130-Y140 PolarHBondContact O-OH 3.2Å; F133-Y140 WeakPolarHBondContact CB-OH 3.36Å; A134-Y140 HydrophobicContact CB-CD2 4.45Å; A134-Y140 HydrophobicContact CB-CE2 3.68Å
141V91Very high88.9Confident36 Ų3659 Ų5922%0.21829%0.292CS..EExtended strand (participates in β ladder)trans-127.5140178.9-62.10000112.3V118 L119 E121 F147V118-V141 HydrophobicContact CG1-CB 4.34Å; V118-V141 HydrophobicContact CG1-CG1 3.68Å; V118-V141 HydrophobicContact CG1-CG2 3.65Å; L119-V141 WeakPolarHBondContact O-CG2 3.43Å; L119-V141 PolarHBondContact O-N 2.93Å; E121-V141 WeakPolarHBondContact CB-O 3.35Å; E121-V141 PolarHBondContact N-O 3.22Å; V141-F147 HydrophobicContact CG1-CD2 4.05Å; V141-F147 HydrophobicContact CG1-CE2 3.81Å
142K85Confident89Confident110 Ų11058 Ų5848%0.47829%0.285SS..  trans-94.4132.2172.8-76.7177.7-175.6175.20109.9E121 A145E121-K142 HydrophobicContact CB-CG 4.02Å; E121-K142 HydrophobicContact CG-CG 4.26Å; E121-K142 WeakPolarHBondContact OE1-CE 3.27Å; E121-K142 IonicContact OE1-NZ 2.72Å; E121-K142 WeakPolarHBondContact OE2-CD 3.38Å; E121-K142 WeakPolarHBondContact OE2-CE 3.48Å; E121-K142 WeakPolarHBondContact OE2-CG 3.3Å; E121-K142 IonicContact OE2-NZ 3.79Å; K142-A145 HydrophobicContact CB-CB 3.6Å; K142-A145 HydrophobicContact CD-CB 3.48Å; K142-A145 VanDerWaalsContact CD-CB 3.48Å; K142-A145 HydrophobicContact CG-CB 4.15Å
143R74.9Confident89.1Confident130 Ų13060.7 Ų60.749%0.49130%0.295SS..SBendtrans-70.1-36.7178.2-174.8177.1174.9-173.8-0.6113.2T175R143-T175 PolarHBondContact NH1-OG1 3.09Å
144S71.7Confident89.1Confident127 Ų12763.4 Ų63.489%0.88831%0.312SS*.SBendtrans-104.4-3.3-172.652.30000114.4
145A71.6Confident89.2Confident46 Ų4665 Ų6538%0.3832%0.318SS..SBendtrans-108.9167.8-179.100000111.7K142 F147K142-A145 HydrophobicContact CB-CB 3.6Å; K142-A145 HydrophobicContact CD-CB 3.48Å; K142-A145 VanDerWaalsContact CD-CB 3.48Å; K142-A145 HydrophobicContact CG-CB 4.15Å; A145-F147 PolarHBondContact O-N 3.45Å; A145-F147 VanDerWaalsContact O-N 3.16Å
146K80.6Confident89.4Confident199 Ų19963.1 Ų63.187%0.86531%0.309SS*.  trans-57.3121172-172177179.7-179.90109N148K146-N148 PolarHBondContact O-N 3.3Å
147F85.7Confident89.4Confident35 Ų3566.4 Ų66.415%0.15432%0.324CS..  trans-58.4125.8174.1173.3-102.7000110V141 A145 E149 M152 K209 A210 V213V141-F147 HydrophobicContact CG1-CD2 4.05Å; V141-F147 HydrophobicContact CG1-CE2 3.81Å; A145-F147 PolarHBondContact O-N 3.45Å; A145-F147 VanDerWaalsContact O-N 3.16Å; F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 HydrophobicContact CD1-CB 3.97Å; F147-E149 HydrophobicContact CE1-CB 3.87Å; F147-E149 PolarHBondContact O-N 3.39Å; F147-M152 HydrophobicContact CE2-SD 3.94Å; F147-M152 HydrophobicContact CZ-CB 4.28Å; F147-M152 HydrophobicContact CZ-CG 4.41Å; F147-M152 HydrophobicContact CZ-SD 3.47Å; F147-M152 WeakPolarHBondContact CZ-SD 3.29Å; F147-K209 HydrophobicContact CB-CD 4.07Å; F147-K209 HydrophobicContact CD1-CB 4.03Å; F147-K209 HydrophobicContact CD1-CD 4.27Å; F147-K209 HydrophobicContact CE1-CB 4.22Å; F147-K209 HydrophobicContact CG-CB 4.31Å; F147-K209 HydrophobicContact CG-CD 4.38Å; F147-A210 HydrophobicContact CE2-CB 4.1Å; F147-A210 HydrophobicContact CZ-CB 4.28Å; F147-V213 HydrophobicContact CE1-CB 4.37Å; F147-V213 HydrophobicContact CE1-CG2 4Å
148N89.6Confident89.4Confident85 Ų8569 Ų6946%0.45534%0.343SS..  trans-84.277.2-178.4-167.5-4.3000110.7K146 K150 E151 M152K146-N148 PolarHBondContact O-N 3.3Å; N148-K150 VanDerWaalsContact C-N 3.33Å; N148-K150 PolarHBondContact O-N 3.18Å; N148-E151 HydrophobicContact CB-CB 4.18Å; N148-E151 VanDerWaalsContact CG-CB 3.44Å; N148-E151 VanDerWaalsContact ND2-CB 3.31Å; N148-E151 WeakPolarHBondContact ND2-CB 3.43Å; N148-E151 PolarHBondContact ND2-OE2 2.9Å; N148-E151 PolarHBondContact O-N 3.33Å; N148-E151 PolarHBondContact OD1-N 3.47Å; N148-M152 PolarHBondContact O-N 3.05Å
149E93Very high89.3Confident76 Ų7669.7 Ų69.736%0.35534%0.344SS..Hα-helixtrans-57.7-44.1-179.1174.5167.2168.100112.4F147 E151 M152 R153 V213F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 HydrophobicContact CD1-CB 3.97Å; F147-E149 HydrophobicContact CE1-CB 3.87Å; F147-E149 PolarHBondContact O-N 3.39Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.26Å; E149-M152 PolarHBondContact O-N 3.5Å; E149-R153 HydrophobicContact CG-CG 4.11Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.29Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 3.09Å; E149-R153 IonicContact OE1-CZ 3.99Å; E149-R153 VanDerWaalsContact OE1-CZ 3.3Å; E149-R153 IonicContact OE1-NE 3.59Å; E149-R153 PolarHBondContact OE1-NE 2.77Å; E149-R153 IonicContact OE1-NH2 3.56Å; E149-R153 PolarHBondContact OE1-NH2 3.13Å; E149-V213 HydrophobicContact CG-CG1 4.17Å; E149-V213 HydrophobicContact CG-CG2 3.68Å
150K93Very high89.3Confident152 Ų15270.7 Ų70.766%0.66135%0.351SS*.Hα-helixtrans-58.8-44.1-178.9-176.1178.7179.7179.50112.1N148 R153 N154N148-K150 VanDerWaalsContact C-N 3.33Å; N148-K150 PolarHBondContact O-N 3.18Å; K150-R153 PolarHBondContact O-N 3.36Å; K150-N154 WeakPolarHBondContact O-CB 3.45Å; K150-N154 PolarHBondContact O-N 2.83Å; K150-N154 PolarHBondContact O-OD1 3.39Å
151E91.8Very high89.2Confident85 Ų8575 Ų7540%0.39738%0.375SS..Hα-helixtrans-64.7-44.7178.3-178.4-176.617500111.8N148 E149 N154 K155N148-E151 HydrophobicContact CB-CB 4.18Å; N148-E151 VanDerWaalsContact CG-CB 3.44Å; N148-E151 VanDerWaalsContact ND2-CB 3.31Å; N148-E151 WeakPolarHBondContact ND2-CB 3.43Å; N148-E151 PolarHBondContact ND2-OE2 2.9Å; N148-E151 PolarHBondContact O-N 3.33Å; N148-E151 PolarHBondContact OD1-N 3.47Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.26Å; E151-N154 PolarHBondContact O-N 3.21Å; E151-K155 WeakPolarHBondContact O-CB 3.34Å; E151-K155 PolarHBondContact O-N 3.49Å
152M95.3Very high89.3Confident1 Ų174.7 Ų74.71%0.00538%0.377CS..Hα-helixtrans-61.1-46.2176.8177.7153.2179.200111.4V118 I139 F147 N148 E149 K155 L156 L168 A210 V213 A214V118-M152 HydrophobicContact CG2-CE 4.07Å; I139-M152 HydrophobicContact CD1-CE 4.16Å; I139-M152 HydrophobicContact CD1-CG 4.03Å; I139-M152 HydrophobicContact CD1-SD 4.34Å; I139-M152 HydrophobicContact CG2-CB 4.01Å; I139-M152 HydrophobicContact CG2-CG 4.02Å; I139-M152 HydrophobicContact CG2-SD 3.97Å; F147-M152 HydrophobicContact CE2-SD 3.94Å; F147-M152 HydrophobicContact CZ-CB 4.28Å; F147-M152 HydrophobicContact CZ-CG 4.41Å; F147-M152 HydrophobicContact CZ-SD 3.47Å; F147-M152 WeakPolarHBondContact CZ-SD 3.29Å; N148-M152 PolarHBondContact O-N 3.05Å; E149-M152 PolarHBondContact O-N 3.5Å; M152-K155 PolarHBondContact O-N 3.33Å; M152-L156 HydrophobicContact CE-CD1 3.77Å; M152-L156 HydrophobicContact CG-CD1 3.95Å; M152-L156 HydrophobicContact CG-CG 4.38Å; M152-L156 WeakPolarHBondContact O-CB 3.46Å; M152-L156 WeakPolarHBondContact O-CG 3.11Å; M152-L156 PolarHBondContact O-N 2.89Å; M152-L168 HydrophobicContact CE-CD2 4.4Å; M152-A210 HydrophobicContact CE-CB 4.46Å; M152-A210 VanDerWaalsContact CE-O 3.31Å; M152-A210 WeakPolarHBondContact CE-O 3.42Å; M152-A210 HydrophobicContact SD-CB 4.48Å; M152-V213 HydrophobicContact CB-CG1 4.28Å; M152-V213 HydrophobicContact CG-CG1 3.88Å; M152-V213 HydrophobicContact SD-CG1 4.41Å; M152-A214 HydrophobicContact CE-CB 3.67Å
153R96.5Very high89.6Confident60 Ų6071.5 Ų71.523%0.22638%0.375CS..Hα-helixtrans-59-52.3177.1-70.5-175.1172-815.5112E149 K150 K155 L156 Q157 V213 D216 C217E149-R153 HydrophobicContact CG-CG 4.11Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.29Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 3.09Å; E149-R153 IonicContact OE1-CZ 3.99Å; E149-R153 VanDerWaalsContact OE1-CZ 3.3Å; E149-R153 IonicContact OE1-NE 3.59Å; E149-R153 PolarHBondContact OE1-NE 2.77Å; E149-R153 IonicContact OE1-NH2 3.56Å; E149-R153 PolarHBondContact OE1-NH2 3.13Å; K150-R153 PolarHBondContact O-N 3.36Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 3.18Å; R153-L156 PolarHBondContact O-N 3.39Å; R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 PolarHBondContact O-N 3.31Å; R153-V213 HydrophobicContact CG-CG1 3.54Å; R153-D216 IonicContact CZ-OD2 2.67Å; R153-D216 IonicContact NH1-OD2 3.62Å; R153-D216 PolarHBondContact NH1-OD2 2.76Å; R153-D216 IonicContact NH2-OD2 3.71Å; R153-D216 PolarHBondContact NH2-OD2 3.06Å; R153-C217 VanDerWaalsContact CG-SG 3.54Å; R153-C217 PolarHBondContact NH1-SG 3.23Å
154N95.2Very high90.5Very high99 Ų9965.5 Ų65.553%0.52935%0.353SS..Hα-helixtrans-58.6-42.9-179.9-72.3-3.2000111.9K150 E151 S158K150-N154 WeakPolarHBondContact O-CB 3.45Å; K150-N154 PolarHBondContact O-N 2.83Å; K150-N154 PolarHBondContact O-OD1 3.39Å; E151-N154 PolarHBondContact O-N 3.21Å; N154-S158 PolarHBondContact O-N 3.36Å; N154-S158 VanDerWaalsContact O-N 3.08Å
155K94.4Very high91.6Very high40 Ų4061.3 Ų61.317%0.17432%0.323CS..Hα-helixtrans-65.9-51.5179.1-178167.7-95.5-179.50110.9A134 G138 I139 E151 M152 R153 Q157 S158 Y159A134-K155 PolarHBondContact O-NZ 3.32Å; G138-K155 PolarHBondContact O-NZ 2.99Å; I139-K155 HydrophobicContact CG1-CD 3.8Å; I139-K155 HydrophobicContact CG1-CG 4.44Å; E151-K155 WeakPolarHBondContact O-CB 3.34Å; E151-K155 PolarHBondContact O-N 3.49Å; M152-K155 PolarHBondContact O-N 3.33Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 3.18Å; K155-Q157 PolarHBondContact O-N 3.21Å; K155-S158 PolarHBondContact O-N 3.35Å; K155-S158 PolarHBondContact O-OG 3.35Å; K155-Y159 HydrophobicContact CG-CD2 4.31Å; K155-Y159 HydrophobicContact CG-CE2 4.01Å; K155-Y159 VanDerWaalsContact O-CD2 3.26Å; K155-Y159 WeakPolarHBondContact O-CD2 3.31Å; K155-Y159 PolarHBondContact O-N 3.44Å
156L96.6Very high92.8Very high1 Ų159.2 Ų59.21%0.00531%0.305CS..Hα-helixtrans-60.5-44.6179.1-69.6179.2000112.1I139 M152 R153 S158 Y159 V160 M166 L168 A214 C217 M218I139-L156 HydrophobicContact CD1-CD1 4.37Å; I139-L156 HydrophobicContact CD1-CD2 3.61Å; I139-L156 HydrophobicContact CD1-CG 3.84Å; M152-L156 HydrophobicContact CE-CD1 3.77Å; M152-L156 HydrophobicContact CG-CD1 3.95Å; M152-L156 HydrophobicContact CG-CG 4.38Å; M152-L156 WeakPolarHBondContact O-CB 3.46Å; M152-L156 WeakPolarHBondContact O-CG 3.11Å; M152-L156 PolarHBondContact O-N 2.89Å; R153-L156 PolarHBondContact O-N 3.39Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 2.85Å; L156-Y159 PolarHBondContact O-N 2.87Å; L156-Y159 VanDerWaalsContact O-N 3.09Å; L156-V160 WeakPolarHBondContact O-CG2 3.42Å; L156-V160 PolarHBondContact O-N 3.29Å; L156-M166 HydrophobicContact CD2-CE 3.84Å; L156-L168 HydrophobicContact CD1-CD2 4.33Å; L156-L168 HydrophobicContact CD2-CD2 3.98Å; L156-A214 HydrophobicContact CD1-CB 4.14Å; L156-C217 HydrophobicContact CB-CB 4.15Å; L156-C217 HydrophobicContact CD1-CB 4.29Å; L156-M218 HydrophobicContact CB-CG 4.4Å; L156-M218 HydrophobicContact CD1-CE 4.42Å; L156-M218 HydrophobicContact CD1-SD 4.49Å; L156-M218 HydrophobicContact CD2-CE 4.4Å; L156-M218 HydrophobicContact CD2-SD 3.91Å
157Q95.3Very high93.6Very high74 Ų7449.9 Ų49.935%0.34627%0.265SS..Hα-helixtrans-58-41.9177.3-167.663.353.500111.4R153 K155 Y159 V160 D161R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 PolarHBondContact O-N 3.31Å; K155-Q157 PolarHBondContact O-N 3.21Å; Q157-Y159 VanDerWaalsContact C-N 3.27Å; Q157-Y159 PolarHBondContact O-N 2.98Å; Q157-V160 PolarHBondContact O-N 3.34Å; Q157-D161 PolarHBondContact NE2-OD1 2.97Å; Q157-D161 WeakPolarHBondContact O-CB 3.27Å; Q157-D161 PolarHBondContact O-N 3.43Å
158S93.5Very high94.3Very high57 Ų5748.2 Ų48.240%0.39926%0.257SS..Hα-helixtrans-62.1-30178.174.90000114.3N154 K155 L156 A162N154-S158 PolarHBondContact O-N 3.36Å; N154-S158 VanDerWaalsContact O-N 3.08Å; K155-S158 PolarHBondContact O-N 3.35Å; K155-S158 PolarHBondContact O-OG 3.35Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 2.85Å; S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.47Å; S158-A162 PolarHBondContact O-N 3.16Å
159Y93.5Very high94.7Very high16 Ų1644.1 Ų44.16%0.06324%0.236CC..Hα-helixtrans-78.5-39175-78.7-79.4000111.8Q48 Q135 G137 K155 L156 Q157 A162 G163 T164 M166Q48-Y159 HydrophobicContact CG-CE1 4.37Å; Q135-Y159 PolarHBondContact O-OH 3.35Å; G137-Y159 VanDerWaalsContact CA-CE2 3.49Å; G137-Y159 VanDerWaalsContact CA-CZ 3.44Å; G137-Y159 WeakPolarHBondContact CA-OH 3.41Å; G137-Y159 PolarHBondContact N-OH 2.73Å; K155-Y159 HydrophobicContact CG-CD2 4.31Å; K155-Y159 HydrophobicContact CG-CE2 4.01Å; K155-Y159 VanDerWaalsContact O-CD2 3.26Å; K155-Y159 WeakPolarHBondContact O-CD2 3.31Å; K155-Y159 PolarHBondContact O-N 3.44Å; L156-Y159 PolarHBondContact O-N 2.87Å; L156-Y159 VanDerWaalsContact O-N 3.09Å; Q157-Y159 VanDerWaalsContact C-N 3.27Å; Q157-Y159 PolarHBondContact O-N 2.98Å; Y159-A162 PolarHBondContact O-N 2.79Å; Y159-G163 PolarHBondContact O-N 2.89Å; Y159-T164 HydrophobicContact CD1-CG2 3.77Å; Y159-T164 HydrophobicContact CE1-CG2 4.36Å; Y159-T164 PolarHBondContact O-N 3.05Å; Y159-M166 HydrophobicContact CD1-SD 4.41Å; Y159-M166 HydrophobicContact CG-SD 4.09Å
160V93.9Very high94.9Very high27 Ų2740.7 Ų40.716%0.16422%0.22CC..Hα-helixtrans-60.8-49.7173.3173.10000110.4L156 Q157 A162 G163 M218 Y221L156-V160 WeakPolarHBondContact O-CG2 3.42Å; L156-V160 PolarHBondContact O-N 3.29Å; Q157-V160 PolarHBondContact O-N 3.34Å; V160-A162 PolarHBondContact O-N 3.35Å; V160-G163 PolarHBondContact O-N 3.18Å; V160-M218 HydrophobicContact CG2-CB 4.44Å; V160-M218 HydrophobicContact CG2-CG 3.91Å; V160-Y221 HydrophobicContact CG1-CD2 4.23Å; V160-Y221 HydrophobicContact CG1-CG 4.08Å; V160-Y221 HydrophobicContact CG2-CD1 4.08Å; V160-Y221 HydrophobicContact CG2-CG 4.17Å
161D92.4Very high95.2Very high118 Ų11834.8 Ų34.863%0.63119%0.194SC*.Hα-helixtrans-62.4-32.9-179.8-65.4-14.8000112.3Q157 G163Q157-D161 PolarHBondContact NE2-OD1 2.97Å; Q157-D161 WeakPolarHBondContact O-CB 3.27Å; Q157-D161 PolarHBondContact O-N 3.43Å; D161-G163 PolarHBondContact O-N 3.48Å
162A91.2Very high95.4Very high30 Ų3031 Ų3125%0.24818%0.177CC..THydrogen-bonded Turntrans-80.6-3.7176.100000113.6S158 Y159 V160 T164S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.47Å; S158-A162 PolarHBondContact O-N 3.16Å; Y159-A162 PolarHBondContact O-N 2.79Å; V160-A162 PolarHBondContact O-N 3.35Å; A162-T164 VanDerWaalsContact C-N 3.27Å; A162-T164 PolarHBondContact O-N 2.92Å
163G92.3Very high95.5Very high43 Ų4331.1 Ų31.144%0.44318%0.177SC..THydrogen-bonded Turntrans64.130.4-176.400000113.2Y159 V160 D161 Y221Y159-G163 PolarHBondContact O-N 2.89Å; V160-G163 PolarHBondContact O-N 3.18Å; D161-G163 PolarHBondContact O-N 3.48Å; G163-Y221 PolarHBondContact O-OH 3.31Å; G163-Y221 VanDerWaalsContact O-OH 3.13Å
164T94.1Very high95.2Very high4 Ų430.2 Ų30.23%0.02519%0.187CC..  trans-77.4126.7178.2-530000110.1Q48 Y159 A162 M166 Y221Q48-T164 HydrophobicContact CB-CG2 4.46Å; Q48-T164 PolarHBondContact NE2-OG1 3.34Å; Q48-T164 PolarHBondContact OE1-OG1 3.31Å; Y159-T164 HydrophobicContact CD1-CG2 3.77Å; Y159-T164 HydrophobicContact CE1-CG2 4.36Å; Y159-T164 PolarHBondContact O-N 3.05Å; A162-T164 VanDerWaalsContact C-N 3.27Å; A162-T164 PolarHBondContact O-N 2.92Å; T164-M166 WeakPolarHBondContact O-CG 3.46Å; T164-Y221 VanDerWaalsContact C-OH 3.25Å; T164-Y221 PolarHBondContact N-OH 3.12Å; T164-Y221 WeakPolarHBondContact O-CE1 3.3Å; T164-Y221 PolarHBondContact O-OH 2.8Å; T164-Y221 VanDerWaalsContact O-OH 3.08Å
165P95.3Very high95.1Very high40 Ų4026.8 Ų26.826%0.2617%0.169SC..  trans-58.2140.9173.5-23.434000111.9N86 H114N86-P165 VanDerWaalsContact OD1-CA 3.24Å; N86-P165 WeakPolarHBondContact OD1-CA 3.47Å; H114-P165 HydrophobicContact CB-CB 4.18Å; H114-P165 VanDerWaalsContact CD2-CB 3.4Å; H114-P165 WeakPolarHBondContact CD2-CB 3.41Å
166M96Very high95.1Very high2 Ų230 Ų301%0.0118%0.181CC..  trans-124120.8-171-70.8-61.6-67.900112.3N86 I87 R116 L156 Y159 T164 L168 M218 Y221N86-M166 CarbonylContact C-O 3.59Å; N86-M166 VanDerWaalsContact CA-O 3.23Å; N86-M166 WeakPolarHBondContact CA-O 3.3Å; N86-M166 PolarHBondContact OD1-N 3.49Å; I87-M166 PolarHBondContact N-O 2.99Å; R116-M166 HydrophobicContact CB-CE 4.27Å; R116-M166 HydrophobicContact CG-CE 3.98Å; R116-M166 HydrophobicContact CG-SD 4.18Å; L156-M166 HydrophobicContact CD2-CE 3.84Å; Y159-M166 HydrophobicContact CD1-SD 4.41Å; Y159-M166 HydrophobicContact CG-SD 4.09Å; T164-M166 WeakPolarHBondContact O-CG 3.46Å; M166-L168 HydrophobicContact CE-CB 4.48Å; M166-M218 HydrophobicContact CB-SD 4.35Å; M166-M218 HydrophobicContact CE-SD 3.96Å; M166-M218 HydrophobicContact CG-SD 4.22Å; M166-Y221 HydrophobicContact CG-CD1 4.36Å; M166-Y221 HydrophobicContact CG-CE1 4.12Å
167Y98.1Very high95.1Very high2 Ų230.5 Ų30.51%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-12080.5166.8-161.5-70.2000108.1I87 Y89 A106 A111 H114 V115 R116 V169 Y226I87-Y167 HydrophobicContact CD1-CD1 3.69Å; I87-Y167 HydrophobicContact CD1-CD2 3.77Å; I87-Y167 HydrophobicContact CD1-CE1 3.63Å; I87-Y167 HydrophobicContact CD1-CE2 3.71Å; I87-Y167 HydrophobicContact CD1-CG 3.76Å; I87-Y167 HydrophobicContact CG1-CD1 4.4Å; I87-Y167 HydrophobicContact CG1-CD2 3.57Å; I87-Y167 HydrophobicContact CG1-CE1 4.47Å; I87-Y167 HydrophobicContact CG1-CE2 3.64Å; I87-Y167 HydrophobicContact CG1-CG 3.97Å; Y89-Y167 AromaticContact CD2-CE1 3.93Å; Y89-Y167 HydrophobicContact CD2-CE1 3.93Å; Y89-Y167 HydrophobicContact CG-CE1 4.21Å; A106-Y167 HydrophobicContact CB-CD2 4.46Å; A106-Y167 HydrophobicContact CB-CE1 4.41Å; A106-Y167 HydrophobicContact CB-CE2 4.34Å; A111-Y167 HydrophobicContact CB-CD2 4.11Å; H114-Y167 PolarHBondContact O-N 2.76Å; V115-Y167 WeakPolarHBondContact CA-O 3.29Å; V115-Y167 HydrophobicContact CG1-CD1 4.45Å; V115-Y167 HydrophobicContact CG2-CD1 4.2Å; V115-Y167 HydrophobicContact CG2-CG 4.31Å; R116-Y167 PolarHBondContact N-O 3.23Å; Y167-V169 HydrophobicContact CD1-CG2 4.19Å; Y167-V169 HydrophobicContact CE1-CG2 4.44Å; Y167-V169 PolarHBondContact O-N 2.67Å; Y167-Y226 HydrophobicContact CE2-CD2 4.45Å; Y167-Y226 HydrophobicContact CE2-CE2 4.3Å
168L98.6Very high95.1Very high0 Ų027.7 Ų27.70%017%0.17CC..EExtended strand (participates in β ladder)trans-86.8110.2-170.1-177.867000111.5I87 I88 Y89 R116 V118 I139 M152 L156 M166 I170 A214 M218I87-L168 PolarHBondContact O-N 2.93Å; I88-L168 CarbonylContact C-O 3.5Å; I88-L168 WeakPolarHBondContact CA-O 3.37Å; Y89-L168 PolarHBondContact N-O 3.38Å; R116-L168 HydrophobicContact CB-CD1 3.95Å; R116-L168 CarbonylContact O-C 3.41Å; R116-L168 WeakPolarHBondContact O-CA 3.34Å; V118-L168 HydrophobicContact CG2-CD1 4.35Å; I139-L168 HydrophobicContact CD1-CD1 4.31Å; M152-L168 HydrophobicContact CE-CD2 4.4Å; L156-L168 HydrophobicContact CD1-CD2 4.33Å; L156-L168 HydrophobicContact CD2-CD2 3.98Å; M166-L168 HydrophobicContact CE-CB 4.48Å; L168-I170 HydrophobicContact CD2-CD1 4.06Å; L168-I170 HydrophobicContact CD2-CG1 4.36Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 HydrophobicContact CG-CG1 4.15Å; L168-A214 HydrophobicContact CD2-CB 3.6Å; L168-M218 HydrophobicContact CB-CE 4.14Å; L168-M218 HydrophobicContact CD2-CE 3.51Å; L168-M218 HydrophobicContact CG-CE 4.48Å
169V98.7Very high95.1Very high0 Ų026.6 Ų26.60%016%0.161CC..EExtended strand (participates in β ladder)trans-85.8122.4178.7179.50000110.9Y89 A102 V115 R116 Y117 V118 Y167 F171Y89-V169 HydrophobicContact CD1-CB 4.29Å; Y89-V169 HydrophobicContact CD1-CG1 3.72Å; Y89-V169 HydrophobicContact CD1-CG2 4.22Å; Y89-V169 HydrophobicContact CE1-CG1 4.13Å; Y89-V169 HydrophobicContact CG-CG2 4.28Å; A102-V169 HydrophobicContact CB-CG1 4.12Å; A102-V169 HydrophobicContact CB-CG2 3.56Å; V115-V169 HydrophobicContact CG1-CG2 3.72Å; R116-V169 PolarHBondContact O-N 3.37Å; Y117-V169 HydrophobicContact CD1-CB 3.47Å; Y117-V169 VanDerWaalsContact CD1-CB 3.47Å; Y117-V169 HydrophobicContact CD1-CG1 3.6Å; Y117-V169 HydrophobicContact CD1-CG2 4.06Å; Y117-V169 HydrophobicContact CE1-CB 3.64Å; Y117-V169 HydrophobicContact CE1-CG1 3.6Å; Y117-V169 HydrophobicContact CE1-CG2 3.75Å; Y117-V169 HydrophobicContact CG-CB 4.23Å; V118-V169 PolarHBondContact N-O 2.93Å; Y167-V169 HydrophobicContact CD1-CG2 4.19Å; Y167-V169 HydrophobicContact CE1-CG2 4.44Å; Y167-V169 PolarHBondContact O-N 2.67Å; V169-F171 HydrophobicContact CG1-CD2 4.3Å; V169-F171 HydrophobicContact CG1-CE2 3.64Å; V169-F171 HydrophobicContact CG1-CZ 3.85Å
170I98.4Very high95Very high4 Ų431.8 Ų31.82%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-127.3136.4175-49.7-177.6000108.3I88 Y89 L90 A91 V118 L168 P172 A210 A214I88-I170 HydrophobicContact CG2-CD1 3.81Å; I88-I170 HydrophobicContact CG2-CG1 4.18Å; Y89-I170 PolarHBondContact O-N 2.76Å; L90-I170 HydrophobicContact CD2-CB 3.87Å; L90-I170 HydrophobicContact CD2-CD1 4.47Å; L90-I170 HydrophobicContact CD2-CG2 4.41Å; A91-I170 PolarHBondContact N-O 3.32Å; V118-I170 HydrophobicContact CB-CG1 4.45Å; V118-I170 HydrophobicContact CG2-CD1 4.29Å; V118-I170 HydrophobicContact CG2-CG1 3.84Å; L168-I170 HydrophobicContact CD2-CD1 4.06Å; L168-I170 HydrophobicContact CD2-CG1 4.36Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 HydrophobicContact CG-CG1 4.15Å; I170-P172 HydrophobicContact CG2-CG 4.36Å; I170-P172 WeakPolarHBondContact O-CD 3.27Å; I170-A210 HydrophobicContact CG2-CB 4.27Å; I170-A214 HydrophobicContact CD1-CB 3.76Å
171F98Very high95Very high28 Ų2834.9 Ų34.912%0.12320%0.199CC..  trans-109.890.6169.6-67.6-70.2000108.6Y89 A91 H93 D98 V169 E173 G174Y89-F171 HydrophobicContact CE1-CE1 4.36Å; A91-F171 HydrophobicContact CB-CD1 4.25Å; A91-F171 HydrophobicContact CB-CE1 4.02Å; H93-F171 HydrophobicContact CB-CB 3.87Å; H93-F171 HydrophobicContact CB-CD1 3.76Å; H93-F171 HydrophobicContact CB-CG 4.01Å; H93-F171 AromaticContact CG-CD1 3.85Å; H93-F171 AromaticContact CG-CG 3.79Å; H93-F171 AromaticContact ND1-CD1 3.76Å; H93-F171 AromaticContact ND1-CG 3.84Å; D98-F171 HydrophobicContact CB-CE1 3.64Å; D98-F171 HydrophobicContact CB-CZ 3.6Å; V169-F171 HydrophobicContact CG1-CD2 4.3Å; V169-F171 HydrophobicContact CG1-CE2 3.64Å; V169-F171 HydrophobicContact CG1-CZ 3.85Å; F171-E173 PolarHBondContact O-N 2.95Å; F171-E173 VanDerWaalsContact O-N 3.09Å; F171-G174 PolarHBondContact O-N 3.27Å
172P97.2Very high95Very high5 Ų533.8 Ų33.83%0.03220%0.197CC..THydrogen-bonded Turntrans-58.4-26.3-170-29.337.6000114.9L90 A91 I170 G174 P206 R207 L281 F285L90-P172 HydrophobicContact CD2-CG 4Å; A91-P172 WeakPolarHBondContact O-CD 3.12Å; I170-P172 HydrophobicContact CG2-CG 4.36Å; I170-P172 WeakPolarHBondContact O-CD 3.27Å; P172-G174 PolarHBondContact O-N 3.04Å; P172-P206 HydrophobicContact CB-CB 3.56Å; P172-R207 VanDerWaalsContact O-CB 3.31Å; P172-R207 WeakPolarHBondContact O-CB 3.31Å; P172-R207 WeakPolarHBondContact O-CG 3.42Å; P172-R207 PolarHBondContact O-N 3.5Å; P172-L281 HydrophobicContact CB-CD2 4.3Å; P172-L281 HydrophobicContact CG-CD1 4.35Å; P172-F285 HydrophobicContact CB-CE2 4.05Å; P172-F285 HydrophobicContact CB-CZ 3.94Å; P172-F285 HydrophobicContact CG-CE2 3.97Å; P172-F285 HydrophobicContact CG-CZ 3.99Å
173E96Very high95.2Very high4 Ų440.9 Ų40.92%0.01922%0.222CC..THydrogen-bonded Turntrans-57.8-29.4175.8-62-175.1-115.200112.4N92 H93 F171 T175 L204 F285N92-E173 WeakPolarHBondContact CA-OE1 3.48Å; N92-E173 WeakPolarHBondContact CB-OE1 3.44Å; H93-E173 PolarHBondContact N-OE1 3.42Å; F171-E173 PolarHBondContact O-N 2.95Å; F171-E173 VanDerWaalsContact O-N 3.09Å; E173-T175 PolarHBondContact O-N 3.05Å; E173-T175 VanDerWaalsContact O-N 3.12Å; E173-L204 HydrophobicContact CB-CB 4.11Å; E173-L204 HydrophobicContact CB-CD1 4.48Å; E173-L204 HydrophobicContact CG-CB 4.04Å; E173-L204 WeakPolarHBondContact OE2-CA 3.38Å; E173-L204 WeakPolarHBondContact OE2-CB 3.45Å; E173-L204 VanDerWaalsContact OE2-CG 3.3Å; E173-L204 WeakPolarHBondContact OE2-CG 3.38Å; E173-L204 PolarHBondContact OE2-N 2.66Å; E173-F285 HydrophobicContact CG-CD1 4.39Å; E173-F285 HydrophobicContact CG-CE1 3.52Å; E173-F285 HydrophobicContact CG-CZ 4.22Å
174G91Very high95.3Very high41 Ų4140.4 Ų40.442%0.42321%0.21SC..SBendtrans69.40.6179.700000114.8F171 P172F171-G174 PolarHBondContact O-N 3.27Å; P172-G174 PolarHBondContact O-N 3.04Å
175T92.5Very high95.4Very high27 Ų2741.5 Ų41.517%0.16622%0.216CC..SBendtrans-154.1155.4171.8-166.80000108.6R143 E173 V184 L204R143-T175 PolarHBondContact NH1-OG1 3.09Å; E173-T175 PolarHBondContact O-N 3.05Å; E173-T175 VanDerWaalsContact O-N 3.12Å; T175-V184 HydrophobicContact CG2-CG1 3.95Å; T175-L204 HydrophobicContact CG2-CD1 3.2Å
176R95.4Very high95.4Very high108 Ų10842.5 Ų42.541%0.40822%0.224SC..  trans-70.6132.7173.6-64.6173-164.4130.63.5109.8H93 S95 T96H93-R176 VanDerWaalsContact NE2-CG 3.28Å; H93-R176 WeakPolarHBondContact NE2-CG 3.42Å; H93-R176 CarbonylContact O-C 3.6Å; H93-R176 VanDerWaalsContact O-CA 3.31Å; H93-R176 WeakPolarHBondContact O-CA 3.42Å; S95-R176 PolarHBondContact O-NE 3.29Å; T96-R176 VanDerWaalsContact CG2-CZ 3.45Å
177Y96.5Very high95.5Very high10 Ų1045.3 Ų45.34%0.03925%0.247CC..  trans-65.2128.6164.4-178.5-80.8000109.3H93 P179 L185 K201 H202 L204 R241H93-Y177 WeakPolarHBondContact O-CB 3.44Å; H93-Y177 PolarHBondContact O-N 3.4Å; Y177-P179 HydrophobicContact CE1-CB 4.11Å; Y177-P179 HydrophobicContact CE1-CG 4.41Å; Y177-L185 HydrophobicContact CE2-CD1 3.86Å; Y177-L185 HydrophobicContact CE2-CD2 4.46Å; Y177-K201 WeakPolarHBondContact CE2-O 3.26Å; Y177-K201 PolarHBondContact OH-O 2.81Å; Y177-H202 VanDerWaalsContact CE2-C 3.46Å; Y177-L204 HydrophobicContact CD2-CD2 3.98Å; Y177-L204 HydrophobicContact CD2-CG 4.05Å; Y177-R241 VanDerWaalsContact CE1-NH1 3.29Å
178N95.1Very high95.4Very high16 Ų1646.1 Ų46.19%0.08625%0.253CS..  trans-138.3121.2169.4174.2-17.3000107.1E180 Q181 E243N178-E180 PolarHBondContact O-N 2.94Å; N178-E180 WeakPolarHBondContact OD1-CA 3.42Å; N178-E180 VanDerWaalsContact OD1-CB 3.26Å; N178-E180 WeakPolarHBondContact OD1-CB 3.48Å; N178-E180 PolarHBondContact OD1-N 3.17Å; N178-Q181 HydrophobicContact CB-CB 4.25Å; N178-Q181 HydrophobicContact CB-CG 3.97Å; N178-Q181 PolarHBondContact O-N 3.23Å; N178-E243 WeakPolarHBondContact ND2-CG 3.34Å; N178-E243 PolarHBondContact ND2-OE1 3.06Å
179P92.6Very high95.4Very high34 Ų3449 Ų4922%0.22127%0.267CS..THydrogen-bonded Turntrans-62.8-24.3-17826-33.3000113.2Y177 Q181 R242Y177-P179 HydrophobicContact CE1-CB 4.11Å; Y177-P179 HydrophobicContact CE1-CG 4.41Å; P179-Q181 VanDerWaalsContact C-N 3.31Å; P179-R242 VanDerWaalsContact CG-C 3.5Å
180E92.7Very high95.3Very high124 Ų12451.9 Ų51.958%0.57929%0.29SS*.THydrogen-bonded Turntrans-77.8-18.4177.2-55.1173.2-172.700111.9N178 T182N178-E180 PolarHBondContact O-N 2.94Å; N178-E180 WeakPolarHBondContact OD1-CA 3.42Å; N178-E180 VanDerWaalsContact OD1-CB 3.26Å; N178-E180 WeakPolarHBondContact OD1-CB 3.48Å; N178-E180 PolarHBondContact OD1-N 3.17Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.84Å; E180-T182 VanDerWaalsContact O-N 3.11Å
181Q92.5Very high95.2Very high92 Ų9255.8 Ų55.843%0.4331%0.307SS..  trans-87.864.4175.6-66.3-172.320.300112.1N178 P179 K183 V184 L185N178-Q181 HydrophobicContact CB-CB 4.25Å; N178-Q181 HydrophobicContact CB-CG 3.97Å; N178-Q181 PolarHBondContact O-N 3.23Å; P179-Q181 VanDerWaalsContact C-N 3.31Å; Q181-K183 PolarHBondContact O-N 3.25Å; Q181-K183 VanDerWaalsContact O-N 3.09Å; Q181-V184 HydrophobicContact CB-CB 4.43Å; Q181-V184 HydrophobicContact CB-CG2 4.37Å; Q181-V184 PolarHBondContact O-N 3.45Å; Q181-L185 PolarHBondContact O-N 2.99Å
182T92.7Very high95.1Very high96 Ų9654.4 Ų54.459%0.58930%0.301SS*.Hα-helixtrans-53.7-33.9-175.558.30000114.3E180 V184 S186E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.84Å; E180-T182 VanDerWaalsContact O-N 3.11Å; T182-V184 PolarHBondContact O-N 2.77Å; T182-S186 VanDerWaalsContact O-CB 3.32Å; T182-S186 WeakPolarHBondContact O-CB 3.27Å; T182-S186 PolarHBondContact O-N 2.66Å; T182-S186 PolarHBondContact O-OG 3.28Å
183K95.5Very high95.1Very high178 Ų17857.1 Ų57.177%0.77432%0.324SS*.Hα-helixtrans-64.4-37.7177.1-67.7-175-178.8179.20113.2Q181 S186 A187Q181-K183 PolarHBondContact O-N 3.25Å; Q181-K183 VanDerWaalsContact O-N 3.09Å; K183-S186 WeakPolarHBondContact CA-OG 3.24Å; K183-S186 PolarHBondContact O-OG 2.72Å; K183-A187 VanDerWaalsContact O-CB 3.27Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 3.47Å; K183-A187 VanDerWaalsContact O-N 3.15Å
184V94.5Very high95.2Very high33 Ų3364.3 Ų64.320%0.236%0.358CS..Hα-helixtrans-72.6-43.8-180175.60000110T175 Q181 T182 S188 L204T175-V184 HydrophobicContact CG2-CG1 3.95Å; Q181-V184 HydrophobicContact CB-CB 4.43Å; Q181-V184 HydrophobicContact CB-CG2 4.37Å; Q181-V184 PolarHBondContact O-N 3.45Å; T182-V184 PolarHBondContact O-N 2.77Å; V184-S188 PolarHBondContact O-N 3.28Å; V184-L204 HydrophobicContact CG1-CD1 3.86Å; V184-L204 HydrophobicContact CG1-CD2 4.23Å
185L95.4Very high95.3Very high27 Ų2769.3 Ų69.314%0.14136%0.364CS..Hα-helixtrans-62.7-52.2177.4-179.956.4000111.6Y177 Q181 A187 S188 Q189 L204Y177-L185 HydrophobicContact CE2-CD1 3.86Å; Y177-L185 HydrophobicContact CE2-CD2 4.46Å; Q181-L185 PolarHBondContact O-N 2.99Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 3.09Å; L185-S188 WeakPolarHBondContact O-CA 3.19Å; L185-S188 WeakPolarHBondContact O-CB 3.37Å; L185-S188 PolarHBondContact O-N 2.97Å; L185-Q189 HydrophobicContact CD1-CG 4.13Å; L185-Q189 HydrophobicContact CG-CG 4.45Å; L185-Q189 WeakPolarHBondContact O-CG 3.35Å; L185-Q189 PolarHBondContact O-N 3.45Å; L185-L204 HydrophobicContact CD1-CD2 4.15Å
186S96.9Very high95.4Very high61 Ų6171.5 Ų71.543%0.42739%0.392SS..Hα-helixtrans-59.6-40.117952.60000112.8T182 K183 S188 Q189 A190T182-S186 VanDerWaalsContact O-CB 3.32Å; T182-S186 WeakPolarHBondContact O-CB 3.27Å; T182-S186 PolarHBondContact O-N 2.66Å; T182-S186 PolarHBondContact O-OG 3.28Å; K183-S186 WeakPolarHBondContact CA-OG 3.24Å; K183-S186 PolarHBondContact O-OG 2.72Å; S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 2.77Å; S186-Q189 PolarHBondContact O-N 2.88Å; S186-A190 WeakPolarHBondContact O-CB 3.39Å; S186-A190 PolarHBondContact O-N 3.36Å
187A96.3Very high95.4Very high62 Ų6267.7 Ų67.751%0.51238%0.379SS..Hα-helixtrans-63.9-38.5174.300000112.5K183 L185 F191K183-A187 VanDerWaalsContact O-CB 3.27Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 3.47Å; K183-A187 VanDerWaalsContact O-N 3.15Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 3.09Å; A187-F191 WeakPolarHBondContact O-CB 3.35Å; A187-F191 PolarHBondContact O-N 3.39Å; A187-F191 VanDerWaalsContact O-N 3.08Å
188S96.6Very high95.4Very high19 Ų1969.1 Ų69.113%0.13339%0.393CS..Hα-helixtrans-65.2-44174.7-168.20000111.9V184 L185 S186 F191 A192 T205V184-S188 PolarHBondContact O-N 3.28Å; L185-S188 WeakPolarHBondContact O-CA 3.19Å; L185-S188 WeakPolarHBondContact O-CB 3.37Å; L185-S188 PolarHBondContact O-N 2.97Å; S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 2.77Å; S188-F191 PolarHBondContact O-N 2.64Å; S188-A192 PolarHBondContact O-N 3.42Å; S188-T205 PolarHBondContact O-OG1 3.11Å; S188-T205 WeakPolarHBondContact OG-CB 3.37Å; S188-T205 PolarHBondContact OG-N 3.06Å; S188-T205 PolarHBondContact OG-OG1 3.36Å; S188-T205 VanDerWaalsContact OG-OG1 3.05Å
189Q97.8Very high95.6Very high60 Ų6072 Ų7228%0.2841%0.411SS..Hα-helixtrans-66.1-43.4179.5-70.9178-28.300111.9L185 S186 F191 A192 A193 V199 L200L185-Q189 HydrophobicContact CD1-CG 4.13Å; L185-Q189 HydrophobicContact CG-CG 4.45Å; L185-Q189 WeakPolarHBondContact O-CG 3.35Å; L185-Q189 PolarHBondContact O-N 3.45Å; S186-Q189 PolarHBondContact O-N 2.88Å; Q189-F191 VanDerWaalsContact C-N 3.31Å; Q189-F191 PolarHBondContact O-N 2.78Å; Q189-A192 PolarHBondContact O-N 3.33Å; Q189-A193 WeakPolarHBondContact O-CB 3.4Å; Q189-A193 PolarHBondContact O-N 3.07Å; Q189-V199 HydrophobicContact CB-CG1 3.65Å; Q189-V199 HydrophobicContact CG-CG1 3.59Å; Q189-L200 WeakPolarHBondContact CG-O 3.43Å; Q189-L200 PolarHBondContact NE2-O 3.41Å
190A97.8Very high95.8Very high60 Ų6070.7 Ų70.750%0.49640%0.402SS..Hα-helixtrans-60.8-41174.500000111.8S186 A193 Q194S186-A190 WeakPolarHBondContact O-CB 3.39Å; S186-A190 PolarHBondContact O-N 3.36Å; A190-A193 PolarHBondContact O-N 3.44Å; A190-Q194 VanDerWaalsContact O-CB 3.32Å; A190-Q194 WeakPolarHBondContact O-CB 3.47Å; A190-Q194 PolarHBondContact O-N 2.83Å
191F95.7Very high96Very high86 Ų8669 Ų6938%0.37739%0.393SS..Hα-helixtrans-62.2-45174.4173.2-93.6000112.2A187 S188 Q189 Q194 R195 T205A187-F191 WeakPolarHBondContact O-CB 3.35Å; A187-F191 PolarHBondContact O-N 3.39Å; A187-F191 VanDerWaalsContact O-N 3.08Å; S188-F191 PolarHBondContact O-N 2.64Å; Q189-F191 VanDerWaalsContact C-N 3.31Å; Q189-F191 PolarHBondContact O-N 2.78Å; F191-Q194 PolarHBondContact O-N 2.78Å; F191-R195 HydrophobicContact CD2-CG 4.36Å; F191-R195 HydrophobicContact CE1-CG 4.25Å; F191-R195 HydrophobicContact CE2-CG 3.98Å; F191-R195 HydrophobicContact CZ-CG 3.93Å; F191-R195 WeakPolarHBondContact O-CB 3.24Å; F191-R195 VanDerWaalsContact O-CG 3.29Å; F191-R195 WeakPolarHBondContact O-CG 3.34Å; F191-R195 PolarHBondContact O-N 2.88Å; F191-R195 VanDerWaalsContact O-N 3.11Å; F191-T205 HydrophobicContact CD1-CG2 3.86Å; F191-T205 HydrophobicContact CE1-CG2 3.87Å
192A96.8Very high96.2Very high0 Ų065 Ų650%037%0.374CS..Hα-helixtrans-60.3-49.717700000111.4S188 Q189 Q194 R195 G196 L197 V199S188-A192 PolarHBondContact O-N 3.42Å; Q189-A192 PolarHBondContact O-N 3.33Å; A192-Q194 PolarHBondContact O-N 3.4Å; A192-R195 CarbonylContact O-C 3.57Å; A192-R195 PolarHBondContact O-N 2.94Å; A192-R195 VanDerWaalsContact O-N 3.08Å; A192-G196 PolarHBondContact O-N 3.02Å; A192-G196 VanDerWaalsContact O-N 3.14Å; A192-L197 CarbonylContact C-O 3.54Å; A192-L197 HydrophobicContact CB-CB 4.22Å; A192-L197 PolarHBondContact O-N 2.72Å; A192-V199 HydrophobicContact CB-CG2 4.44Å
193A97.2Very high96.4Very high61 Ų6160.6 Ų60.650%0.50435%0.347SS..Hα-helixtrans-58.9-45.817800000112.3Q189 A190 R195 G196 V199Q189-A193 WeakPolarHBondContact O-CB 3.4Å; Q189-A193 PolarHBondContact O-N 3.07Å; A190-A193 PolarHBondContact O-N 3.44Å; A193-R195 PolarHBondContact O-N 3.08Å; A193-G196 PolarHBondContact O-N 2.87Å; A193-G196 VanDerWaalsContact O-N 3.11Å; A193-V199 HydrophobicContact CB-CG2 4.05Å
194Q96.9Very high96.5Very high155 Ų15552.4 Ų52.472%0.72431%0.312SS*.Hα-helixtrans-60.8-31.4177.1-172.7-17523.300112.5A190 F191 A192A190-Q194 VanDerWaalsContact O-CB 3.32Å; A190-Q194 WeakPolarHBondContact O-CB 3.47Å; A190-Q194 PolarHBondContact O-N 2.83Å; F191-Q194 PolarHBondContact O-N 2.78Å; A192-Q194 PolarHBondContact O-N 3.4Å
195R93.8Very high96.7Very high146 Ų14651.4 Ų51.455%0.55131%0.306SS*.THydrogen-bonded Turntrans-91.94.7-179.7-65.6-65-178.4171.3-2.6113.5F191 A192 A193 L197F191-R195 HydrophobicContact CD2-CG 4.36Å; F191-R195 HydrophobicContact CE1-CG 4.25Å; F191-R195 HydrophobicContact CE2-CG 3.98Å; F191-R195 HydrophobicContact CZ-CG 3.93Å; F191-R195 WeakPolarHBondContact O-CB 3.24Å; F191-R195 VanDerWaalsContact O-CG 3.29Å; F191-R195 WeakPolarHBondContact O-CG 3.34Å; F191-R195 PolarHBondContact O-N 2.88Å; F191-R195 VanDerWaalsContact O-N 3.11Å; A192-R195 CarbonylContact O-C 3.57Å; A192-R195 PolarHBondContact O-N 2.94Å; A192-R195 VanDerWaalsContact O-N 3.08Å; A193-R195 PolarHBondContact O-N 3.08Å; R195-L197 HydrophobicContact CB-CD1 4.01Å; R195-L197 HydrophobicContact CB-CG 3.98Å; R195-L197 PolarHBondContact O-N 3.24Å
196G94.2Very high96.8Very high73 Ų7350.9 Ų50.975%0.75330%0.304SS*.THydrogen-bonded Turntrans63.626-176.500000113.2A192 A193A192-G196 PolarHBondContact O-N 3.02Å; A192-G196 VanDerWaalsContact O-N 3.14Å; A193-G196 PolarHBondContact O-N 2.87Å; A193-G196 VanDerWaalsContact O-N 3.11Å
197L95.6Very high96.7Very high29 Ų2954.1 Ų54.115%0.15231%0.307CS..  trans-95.5155176.6-61.8174.2000109.9A192 R195 V199 T205A192-L197 CarbonylContact C-O 3.54Å; A192-L197 HydrophobicContact CB-CB 4.22Å; A192-L197 PolarHBondContact O-N 2.72Å; R195-L197 HydrophobicContact CB-CD1 4.01Å; R195-L197 HydrophobicContact CB-CG 3.98Å; R195-L197 PolarHBondContact O-N 3.24Å; L197-V199 PolarHBondContact O-N 3.23Å; L197-T205 HydrophobicContact CD1-CG2 4.46Å
198A97.1Very high96.6Very high39 Ų3952.1 Ų52.132%0.32229%0.287SS..  trans-57.613417400000111.1L200 H282 E286A198-L200 PolarHBondContact O-N 3.23Å; A198-H282 PolarHBondContact N-NE2 2.9Å; A198-H282 PolarHBondContact O-CE1 2.63Å; A198-H282 PolarHBondContact O-NE2 3.41Å; A198-E286 HydrophobicContact CB-CG 3.81Å; A198-E286 VanDerWaalsContact CB-OE1 3.27Å; A198-E286 WeakPolarHBondContact CB-OE1 3.16Å
199V98Very high96.5Very high78 Ų7856.9 Ų56.947%0.47331%0.306SS..  trans-83.1115.9179.8179.90000109.1Q189 A192 A193 L197Q189-V199 HydrophobicContact CB-CG1 3.65Å; Q189-V199 HydrophobicContact CG-CG1 3.59Å; A192-V199 HydrophobicContact CB-CG2 4.44Å; A193-V199 HydrophobicContact CB-CG2 4.05Å; L197-V199 PolarHBondContact O-N 3.23Å
200L98.1Very high96.3Very high5 Ų554.7 Ų54.73%0.02630%0.298CS..  trans-90.5148.7-174.8-49.6178.2000111.4Q189 A198 V203 F285 E286 D289Q189-L200 WeakPolarHBondContact CG-O 3.43Å; Q189-L200 PolarHBondContact NE2-O 3.41Å; A198-L200 PolarHBondContact O-N 3.23Å; L200-V203 HydrophobicContact CB-CG2 4.1Å; L200-V203 WeakPolarHBondContact CB-O 3.49Å; L200-V203 HydrophobicContact CD1-CG2 3.78Å; L200-V203 HydrophobicContact CG-CG2 4.46Å; L200-F285 HydrophobicContact CD1-CB 3.95Å; L200-E286 HydrophobicContact CD2-CB 4.41Å; L200-E286 HydrophobicContact CD2-CG 3.75Å; L200-D289 HydrophobicContact CB-CB 4.46Å; L200-D289 HydrophobicContact CD2-CB 4.05Å
201K96.1Very high96.3Very high90 Ų9051.9 Ų51.939%0.39128%0.275SS..SBendtrans-106.2-44.6-174.7-174177.3-176.3-179.80113.7Y177 D289 E297Y177-K201 WeakPolarHBondContact CE2-O 3.26Å; Y177-K201 PolarHBondContact OH-O 2.81Å; K201-D289 PolarHBondContact N-OD1 2.81Å; K201-D289 PolarHBondContact N-OD2 3.23Å; K201-E297 WeakPolarHBondContact CE-OE1 3.48Å; K201-E297 IonicContact NZ-OE1 3.24Å; K201-E297 PolarHBondContact NZ-OE1 3.14Å; K201-E297 IonicContact NZ-OE2 2.67Å; K201-E297 PolarHBondContact NZ-OE2 3.2Å
202H96.2Very high96.4Very high8 Ų848.7 Ų48.74%0.03726%0.261CS..SBendtrans-110.2-2.8-170.1-78.7-69000113.9Y177 R241 D289 L292 Y296 E297Y177-H202 VanDerWaalsContact CE2-C 3.46Å; H202-R241 VanDerWaalsContact CA-NH1 3.26Å; H202-R241 VanDerWaalsContact ND1-CD 3.3Å; H202-R241 WeakPolarHBondContact ND1-CD 3.46Å; H202-R241 PolarHBondContact ND1-NH1 3.05Å; H202-R241 PolarHBondContact O-NH1 3.48Å; H202-D289 WeakPolarHBondContact CA-OD1 3.32Å; H202-D289 PolarHBondContact N-OD1 3.43Å; H202-L292 HydrophobicContact CB-CB 3.54Å; H202-L292 HydrophobicContact CB-CD1 3.93Å; H202-L292 HydrophobicContact CB-CG 4.37Å; H202-Y296 AromaticContact CE1-CD2 3.87Å; H202-Y296 AromaticContact ND1-CD2 3.79Å; H202-E297 IonicContact CD2-OE1 2.64Å; H202-E297 IonicContact CE1-OE1 2.66Å; H202-E297 PolarHBondContact CE1-OE1 2.65Å; H202-E297 IonicContact NE2-OE1 3.19Å; H202-E297 PolarHBondContact NE2-OE1 2.93Å
203V97.9Very high96.4Very high2 Ų248.8 Ų48.81%0.01226%0.262CS..SBendtrans-135.6159.9167.1-70.30000110.2N92 L200 F285 K288 D289 L292N92-V203 HydrophobicContact CB-CG1 3.71Å; L200-V203 HydrophobicContact CB-CG2 4.1Å; L200-V203 WeakPolarHBondContact CB-O 3.49Å; L200-V203 HydrophobicContact CD1-CG2 3.78Å; L200-V203 HydrophobicContact CG-CG2 4.46Å; V203-F285 HydrophobicContact CB-CD1 4.08Å; V203-F285 HydrophobicContact CG2-CB 4.49Å; V203-F285 HydrophobicContact CG2-CD1 3.96Å; V203-K288 HydrophobicContact CG1-CB 4.47Å; V203-D289 HydrophobicContact CG2-CB 3.89Å; V203-D289 PolarHBondContact N-OD1 3.26Å; V203-D289 VanDerWaalsContact N-OD1 3.14Å; V203-L292 HydrophobicContact CG1-CD1 3.51Å
204L97.9Very high96.4Very high6 Ų645.9 Ų45.93%0.03124%0.238CC..PPolyproline II helixtrans-85.2158.1170.8-53175.3000110.7E173 T175 Y177 V184 L185E173-L204 HydrophobicContact CB-CB 4.11Å; E173-L204 HydrophobicContact CB-CD1 4.48Å; E173-L204 HydrophobicContact CG-CB 4.04Å; E173-L204 WeakPolarHBondContact OE2-CA 3.38Å; E173-L204 WeakPolarHBondContact OE2-CB 3.45Å; E173-L204 VanDerWaalsContact OE2-CG 3.3Å; E173-L204 WeakPolarHBondContact OE2-CG 3.38Å; E173-L204 PolarHBondContact OE2-N 2.66Å; T175-L204 HydrophobicContact CG2-CD1 3.2Å; Y177-L204 HydrophobicContact CD2-CD2 3.98Å; Y177-L204 HydrophobicContact CD2-CG 4.05Å; V184-L204 HydrophobicContact CG1-CD1 3.86Å; V184-L204 HydrophobicContact CG1-CD2 4.23Å; L185-L204 HydrophobicContact CD1-CD2 4.15Å
205T97.8Very high96.5Very high12 Ų1238.8 Ų38.87%0.07420%0.204CC..PPolyproline II helixtrans-63.8123176.6-54.90000110.1S188 F191 L197S188-T205 PolarHBondContact O-OG1 3.11Å; S188-T205 WeakPolarHBondContact OG-CB 3.37Å; S188-T205 PolarHBondContact OG-N 3.06Å; S188-T205 PolarHBondContact OG-OG1 3.36Å; S188-T205 VanDerWaalsContact OG-OG1 3.05Å; F191-T205 HydrophobicContact CD1-CG2 3.86Å; F191-T205 HydrophobicContact CE1-CG2 3.87Å; L197-T205 HydrophobicContact CD1-CG2 4.46Å
206P97.5Very high96.6Very high17 Ų1734.4 Ų34.411%0.1119%0.192CC..PPolyproline II helixtrans-70.2148.5-175.529.6-37000112.4P172 L281 F285P172-P206 HydrophobicContact CB-CB 3.56Å; P206-L281 HydrophobicContact CB-CD2 4Å; P206-L281 HydrophobicContact CB-CG 3.9Å; P206-L281 HydrophobicContact CG-CD2 4.43Å; P206-L281 HydrophobicContact CG-CG 3.95Å; P206-F285 HydrophobicContact CB-CD1 4.19Å; P206-F285 HydrophobicContact CB-CD2 3.71Å; P206-F285 HydrophobicContact CB-CE1 4.23Å; P206-F285 HydrophobicContact CB-CE2 3.73Å; P206-F285 HydrophobicContact CB-CG 3.95Å; P206-F285 HydrophobicContact CB-CZ 4.01Å; P206-F285 HydrophobicContact CG-CB 3.96Å; P206-F285 HydrophobicContact CG-CD1 4.2Å; P206-F285 HydrophobicContact CG-CD2 3.64Å; P206-F285 HydrophobicContact CG-CE2 4.2Å; P206-F285 HydrophobicContact CG-CG 3.64Å
207R94.7Very high96.7Very high128 Ų12831.7 Ų31.748%0.48316%0.161SC..PPolyproline II helixtrans-99.3125.6175.7-58.2178.1179.7-124-9.5110.1P172P172-R207 VanDerWaalsContact O-CB 3.31Å; P172-R207 WeakPolarHBondContact O-CB 3.31Å; P172-R207 WeakPolarHBondContact O-CG 3.42Å; P172-R207 PolarHBondContact O-N 3.5Å
208I94.6Very high96.8Very high20 Ų2030.4 Ų30.410%0.10315%0.154CC..Hα-helixtrans-77.4-31.2-170.7-172.456.4000115.2A210 T211 H212 Q274 M277 R278 L281I208-A210 PolarHBondContact O-N 3.09Å; I208-T211 PolarHBondContact O-N 2.85Å; I208-T211 VanDerWaalsContact O-N 3.16Å; I208-H212 HydrophobicContact CD1-CB 4.29Å; I208-H212 HydrophobicContact CG1-CB 4.11Å; I208-H212 WeakPolarHBondContact O-CB 3.19Å; I208-H212 PolarHBondContact O-N 3.35Å; I208-Q274 HydrophobicContact CG1-CG 4.41Å; I208-M277 HydrophobicContact CD1-CB 4.04Å; I208-M277 HydrophobicContact CD1-CG 3.74Å; I208-M277 HydrophobicContact CD1-SD 3.83Å; I208-R278 HydrophobicContact CB-CB 4.32Å; I208-R278 HydrophobicContact CB-CG 4.27Å; I208-R278 HydrophobicContact CG1-CB 4.08Å; I208-R278 HydrophobicContact CG2-CG 4.29Å; I208-L281 HydrophobicContact CD1-CB 4.27Å; I208-L281 HydrophobicContact CD1-CD2 3.76Å
209K93.9Very high96.6Very high119 Ų11931.5 Ų31.552%0.51715%0.152SC..Hα-helixtrans-55.3-49.9-163.9-68.3-169.3176.3-172.30114.6F147 V213F147-K209 HydrophobicContact CB-CD 4.07Å; F147-K209 HydrophobicContact CD1-CB 4.03Å; F147-K209 HydrophobicContact CD1-CD 4.27Å; F147-K209 HydrophobicContact CE1-CB 4.22Å; F147-K209 HydrophobicContact CG-CB 4.31Å; F147-K209 HydrophobicContact CG-CD 4.38Å; K209-V213 WeakPolarHBondContact O-CB 3.44Å; K209-V213 VanDerWaalsContact O-CG2 3.3Å; K209-V213 WeakPolarHBondContact O-CG2 3.37Å; K209-V213 PolarHBondContact O-N 2.99Å
210A95.2Very high96.4Very high15 Ų1534.8 Ų34.812%0.12417%0.167CC..Hα-helixtrans-66.7-42.5-178.400000111.5F147 M152 I170 I208 A214F147-A210 HydrophobicContact CE2-CB 4.1Å; F147-A210 HydrophobicContact CZ-CB 4.28Å; M152-A210 HydrophobicContact CE-CB 4.46Å; M152-A210 VanDerWaalsContact CE-O 3.31Å; M152-A210 WeakPolarHBondContact CE-O 3.42Å; M152-A210 HydrophobicContact SD-CB 4.48Å; I170-A210 HydrophobicContact CG2-CB 4.27Å; I208-A210 PolarHBondContact O-N 3.09Å; A210-A214 WeakPolarHBondContact O-CB 3.46Å; A210-A214 PolarHBondContact O-N 3.02Å
211T97.2Very high96.2Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-61.7-49177.1-57.40000111.6L90 I208 A214 F215 M277 L281L90-T211 HydrophobicContact CD1-CG2 3.92Å; L90-T211 HydrophobicContact CD2-CG2 4.06Å; I208-T211 PolarHBondContact O-N 2.85Å; I208-T211 VanDerWaalsContact O-N 3.16Å; T211-A214 PolarHBondContact O-N 2.71Å; T211-F215 WeakPolarHBondContact O-CB 3.15Å; T211-F215 PolarHBondContact O-N 2.7Å; T211-M277 HydrophobicContact CG2-SD 4.25Å; T211-L281 HydrophobicContact CG2-CD2 4.38Å
212H97.5Very high96.3Very high20 Ų2032.8 Ų32.89%0.09316%0.157CC..Hα-helixtrans-61.7-49179.5174.3-103.7000112.2I208 A214 F215 D216 Q274 M277I208-H212 HydrophobicContact CD1-CB 4.29Å; I208-H212 HydrophobicContact CG1-CB 4.11Å; I208-H212 WeakPolarHBondContact O-CB 3.19Å; I208-H212 PolarHBondContact O-N 3.35Å; H212-A214 VanDerWaalsContact C-N 3.32Å; H212-A214 PolarHBondContact O-N 3.35Å; H212-F215 PolarHBondContact O-N 3.47Å; H212-D216 VanDerWaalsContact O-CB 3.26Å; H212-D216 WeakPolarHBondContact O-CB 3.28Å; H212-D216 PolarHBondContact O-N 3.07Å; H212-Q274 HydrophobicContact CB-CG 4.36Å; H212-M277 VanDerWaalsContact CA-SD 3.52Å; H212-M277 HydrophobicContact CB-SD 3.87Å
213V96.9Very high96.4Very high2 Ų235.4 Ų35.41%0.01217%0.171CC..Hα-helixtrans-64.7-38179.4172.10000111.6F147 E149 M152 R153 K209 C217F147-V213 HydrophobicContact CE1-CB 4.37Å; F147-V213 HydrophobicContact CE1-CG2 4Å; E149-V213 HydrophobicContact CG-CG1 4.17Å; E149-V213 HydrophobicContact CG-CG2 3.68Å; M152-V213 HydrophobicContact CB-CG1 4.28Å; M152-V213 HydrophobicContact CG-CG1 3.88Å; M152-V213 HydrophobicContact SD-CG1 4.41Å; R153-V213 HydrophobicContact CG-CG1 3.54Å; K209-V213 WeakPolarHBondContact O-CB 3.44Å; K209-V213 VanDerWaalsContact O-CG2 3.3Å; K209-V213 WeakPolarHBondContact O-CG2 3.37Å; K209-V213 PolarHBondContact O-N 2.99Å; V213-C217 WeakPolarHBondContact O-CB 3.28Å; V213-C217 PolarHBondContact O-N 2.57Å; V213-C217 VanDerWaalsContact O-N 3.1Å
214A97.8Very high96.4Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-62-48.9174.500000112.3I88 M152 L156 L168 I170 A210 T211 H212 M218I88-A214 HydrophobicContact CD1-CB 3.73Å; I88-A214 HydrophobicContact CG1-CB 4.47Å; M152-A214 HydrophobicContact CE-CB 3.67Å; L156-A214 HydrophobicContact CD1-CB 4.14Å; L168-A214 HydrophobicContact CD2-CB 3.6Å; I170-A214 HydrophobicContact CD1-CB 3.76Å; A210-A214 WeakPolarHBondContact O-CB 3.46Å; A210-A214 PolarHBondContact O-N 3.02Å; T211-A214 PolarHBondContact O-N 2.71Å; H212-A214 VanDerWaalsContact C-N 3.32Å; H212-A214 PolarHBondContact O-N 3.35Å; A214-M218 HydrophobicContact CB-CE 4.07Å; A214-M218 WeakPolarHBondContact O-CB 3.38Å; A214-M218 WeakPolarHBondContact O-CE 3.27Å; A214-M218 WeakPolarHBondContact O-CG 3.47Å; A214-M218 PolarHBondContact O-N 3.31Å; A214-M218 VanDerWaalsContact O-N 3.15Å
215F98Very high96.4Very high6 Ų635.1 Ų35.13%0.02617%0.17CC..Hα-helixtrans-64.5-49.6-179-174.6-93000111.1I88 T211 H212 C217 M218 K219 L222 I225 V270 E272 M277I88-F215 HydrophobicContact CD1-CB 3.98Å; I88-F215 HydrophobicContact CD1-CD2 4.37Å; T211-F215 WeakPolarHBondContact O-CB 3.15Å; T211-F215 PolarHBondContact O-N 2.7Å; H212-F215 PolarHBondContact O-N 3.47Å; F215-C217 PolarHBondContact O-N 3.17Å; F215-M218 CarbonylContact O-C 3.48Å; F215-M218 PolarHBondContact O-N 3.41Å; F215-M218 VanDerWaalsContact O-N 3.14Å; F215-K219 HydrophobicContact CE1-CB 4.4Å; F215-K219 WeakPolarHBondContact O-CA 3.44Å; F215-K219 WeakPolarHBondContact O-CB 3.43Å; F215-K219 PolarHBondContact O-N 3.26Å; F215-L222 HydrophobicContact CD2-CD1 3.92Å; F215-L222 HydrophobicContact CE2-CD1 4.4Å; F215-I225 HydrophobicContact CD2-CD1 3.95Å; F215-I225 HydrophobicContact CD2-CG1 4.44Å; F215-I225 HydrophobicContact CE2-CD1 4.34Å; F215-V270 HydrophobicContact CD1-CG1 4.49Å; F215-V270 HydrophobicContact CD2-CB 4.4Å; F215-V270 HydrophobicContact CD2-CG1 3.92Å; F215-V270 HydrophobicContact CE1-CB 4.45Å; F215-V270 HydrophobicContact CE1-CG1 4.21Å; F215-V270 HydrophobicContact CE2-CB 3.59Å; F215-V270 HydrophobicContact CE2-CG1 3.59Å; F215-V270 HydrophobicContact CE2-CG2 4.01Å; F215-V270 HydrophobicContact CG-CG1 4.35Å; F215-V270 HydrophobicContact CZ-CB 3.62Å; F215-V270 HydrophobicContact CZ-CG1 3.75Å; F215-V270 HydrophobicContact CZ-CG2 4.47Å; F215-E272 HydrophobicContact CE1-CG 4.23Å; F215-M277 HydrophobicContact CB-CE 3.86Å; F215-M277 HydrophobicContact CD1-CE 3.5Å; F215-M277 VanDerWaalsContact CD1-CE 3.5Å; F215-M277 HydrophobicContact CE1-CE 4.26Å; F215-M277 HydrophobicContact CG-CE 3.8Å
216D96.9Very high96.4Very high53 Ų5334.6 Ų34.628%0.28317%0.166SC..Hα-helixtrans-58.9-44.1-179.8-179.350.4000112.4R153 H212 M218R153-D216 IonicContact CZ-OD2 2.67Å; R153-D216 IonicContact NH1-OD2 3.62Å; R153-D216 PolarHBondContact NH1-OD2 2.76Å; R153-D216 IonicContact NH2-OD2 3.71Å; R153-D216 PolarHBondContact NH2-OD2 3.06Å; H212-D216 VanDerWaalsContact O-CB 3.26Å; H212-D216 WeakPolarHBondContact O-CB 3.28Å; H212-D216 PolarHBondContact O-N 3.07Å; D216-M218 PolarHBondContact O-N 2.83Å
217C96.5Very high96.5Very high17 Ų1733.9 Ų33.912%0.11516%0.162CC..Hα-helixtrans-68.2-30.1177-92.10000114.3R153 L156 V213 F215R153-C217 VanDerWaalsContact CG-SG 3.54Å; R153-C217 PolarHBondContact NH1-SG 3.23Å; L156-C217 HydrophobicContact CB-CB 4.15Å; L156-C217 HydrophobicContact CD1-CB 4.29Å; V213-C217 WeakPolarHBondContact O-CB 3.28Å; V213-C217 PolarHBondContact O-N 2.57Å; V213-C217 VanDerWaalsContact O-N 3.1Å; F215-C217 PolarHBondContact O-N 3.17Å
218M96.8Very high96.7Very high1 Ų127.8 Ų27.81%0.00514%0.139CC..Hα-helixtrans-111.24.9-171.8-58.3-172.1-65.500113.5I88 L156 V160 M166 L168 A214 F215 D216 N220 Y221 L222I88-M218 HydrophobicContact CD1-CE 3.97Å; I88-M218 HydrophobicContact CG1-CE 3.72Å; L156-M218 HydrophobicContact CB-CG 4.4Å; L156-M218 HydrophobicContact CD1-CE 4.42Å; L156-M218 HydrophobicContact CD1-SD 4.49Å; L156-M218 HydrophobicContact CD2-CE 4.4Å; L156-M218 HydrophobicContact CD2-SD 3.91Å; V160-M218 HydrophobicContact CG2-CB 4.44Å; V160-M218 HydrophobicContact CG2-CG 3.91Å; M166-M218 HydrophobicContact CB-SD 4.35Å; M166-M218 HydrophobicContact CE-SD 3.96Å; M166-M218 HydrophobicContact CG-SD 4.22Å; L168-M218 HydrophobicContact CB-CE 4.14Å; L168-M218 HydrophobicContact CD2-CE 3.51Å; L168-M218 HydrophobicContact CG-CE 4.48Å; A214-M218 HydrophobicContact CB-CE 4.07Å; A214-M218 WeakPolarHBondContact O-CB 3.38Å; A214-M218 WeakPolarHBondContact O-CE 3.27Å; A214-M218 WeakPolarHBondContact O-CG 3.47Å; A214-M218 PolarHBondContact O-N 3.31Å; A214-M218 VanDerWaalsContact O-N 3.15Å; F215-M218 CarbonylContact O-C 3.48Å; F215-M218 PolarHBondContact O-N 3.41Å; F215-M218 VanDerWaalsContact O-N 3.14Å; D216-M218 PolarHBondContact O-N 2.83Å; M218-N220 VanDerWaalsContact C-N 3.28Å; M218-N220 PolarHBondContact O-N 3.16Å; M218-N220 VanDerWaalsContact O-N 3.1Å; M218-Y221 CarbonylContact O-C 3.58Å; M218-Y221 WeakPolarHBondContact O-CA 3.42Å; M218-Y221 WeakPolarHBondContact O-CB 3.4Å; M218-Y221 PolarHBondContact O-N 3.22Å; M218-L222 HydrophobicContact CB-CD1 3.96Å; M218-L222 HydrophobicContact CB-CD2 4.23Å; M218-L222 HydrophobicContact CB-CG 3.75Å; M218-L222 HydrophobicContact CE-CD2 4.2Å; M218-L222 WeakPolarHBondContact O-CG 3.32Å; M218-L222 PolarHBondContact O-N 3.5Å
219K93.4Very high96.9Very high62 Ų6226.8 Ų26.827%0.2713%0.134SC..THydrogen-bonded Turntrans-53.8-37.7-169.465-174.1-172.3179.20115.4F215 Y221 E272F215-K219 HydrophobicContact CE1-CB 4.4Å; F215-K219 WeakPolarHBondContact O-CA 3.44Å; F215-K219 WeakPolarHBondContact O-CB 3.43Å; F215-K219 PolarHBondContact O-N 3.26Å; K219-Y221 VanDerWaalsContact C-N 3.26Å; K219-Y221 PolarHBondContact O-N 3.49Å; K219-E272 IonicContact NZ-OE2 2.61Å; K219-E272 PolarHBondContact NZ-OE2 2.98Å
220N93.4Very high97.1Very high148 Ų14821.2 Ų21.279%0.79111%0.109SC*.THydrogen-bonded Turntrans-77.9-14.5177.9-65.7-25.3000113.1M218M218-N220 VanDerWaalsContact C-N 3.28Å; M218-N220 PolarHBondContact O-N 3.16Å; M218-N220 VanDerWaalsContact O-N 3.1Å
221Y95.1Very high97.2Very high52 Ų5220.5 Ų20.520%0.20410%0.103CC..THydrogen-bonded Turntrans-106.4-24-174.4-161.4-111.8000113.4N86 V160 G163 T164 M166 M218 K219N86-Y221 HydrophobicContact CB-CD1 4.42Å; N86-Y221 WeakPolarHBondContact CB-O 3.31Å; N86-Y221 WeakPolarHBondContact ND2-CE1 3.31Å; N86-Y221 PolarHBondContact ND2-O 3.38Å; V160-Y221 HydrophobicContact CG1-CD2 4.23Å; V160-Y221 HydrophobicContact CG1-CG 4.08Å; V160-Y221 HydrophobicContact CG2-CD1 4.08Å; V160-Y221 HydrophobicContact CG2-CG 4.17Å; G163-Y221 PolarHBondContact O-OH 3.31Å; G163-Y221 VanDerWaalsContact O-OH 3.13Å; T164-Y221 VanDerWaalsContact C-OH 3.25Å; T164-Y221 PolarHBondContact N-OH 3.12Å; T164-Y221 WeakPolarHBondContact O-CE1 3.3Å; T164-Y221 PolarHBondContact O-OH 2.8Å; T164-Y221 VanDerWaalsContact O-OH 3.08Å; M166-Y221 HydrophobicContact CG-CD1 4.36Å; M166-Y221 HydrophobicContact CG-CE1 4.12Å; M218-Y221 CarbonylContact O-C 3.58Å; M218-Y221 WeakPolarHBondContact O-CA 3.42Å; M218-Y221 WeakPolarHBondContact O-CB 3.4Å; M218-Y221 PolarHBondContact O-N 3.22Å; K219-Y221 VanDerWaalsContact C-N 3.26Å; K219-Y221 PolarHBondContact O-N 3.49Å
222L97.1Very high97.1Very high1 Ų121 Ų211%0.00511%0.105CC..  trans-72.6150.7176.4-68.3171.6000111.6N86 I88 F215 M218 K267N86-L222 CarbonylContact O-C 3.55Å; N86-L222 WeakPolarHBondContact O-CA 3.4Å; I88-L222 HydrophobicContact CD1-CD1 3.62Å; I88-L222 HydrophobicContact CG1-CD1 3.86Å; I88-L222 HydrophobicContact CG1-CD2 3.96Å; F215-L222 HydrophobicContact CD2-CD1 3.92Å; F215-L222 HydrophobicContact CE2-CD1 4.4Å; M218-L222 HydrophobicContact CB-CD1 3.96Å; M218-L222 HydrophobicContact CB-CD2 4.23Å; M218-L222 HydrophobicContact CB-CG 3.75Å; M218-L222 HydrophobicContact CE-CD2 4.2Å; M218-L222 WeakPolarHBondContact O-CG 3.32Å; M218-L222 PolarHBondContact O-N 3.5Å; L222-K267 WeakPolarHBondContact O-CD 3.3Å; L222-K267 WeakPolarHBondContact O-CE 3.31Å; L222-K267 PolarHBondContact O-NZ 2.82Å
223D97.5Very high96.9Very high63 Ų6320.8 Ų20.834%0.33710%0.104SC..  trans-99.3-43.8166.4-61-58000110.5E85 N86 K267E85-D223 WeakPolarHBondContact CA-OD2 3.47Å; E85-D223 HydrophobicContact CB-CB 4.01Å; E85-D223 HydrophobicContact CG-CB 4.3Å; N86-D223 PolarHBondContact N-OD2 3.48Å; N86-D223 PolarHBondContact O-N 2.73Å; D223-K267 PolarHBondContact O-N 3.05Å
224A97.8Very high96.1Very high1 Ų122.7 Ų22.71%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-157.6167.6-172.600000113.6I87 I88 Y226 R264 I265I87-A224 VanDerWaalsContact CA-O 3.24Å; I87-A224 WeakPolarHBondContact CA-O 3.48Å; I87-A224 WeakPolarHBondContact CB-O 3.43Å; I87-A224 HydrophobicContact CG2-CB 4.18Å; I88-A224 PolarHBondContact N-O 2.81Å; A224-Y226 HydrophobicContact CB-CD1 4.31Å; A224-Y226 HydrophobicContact CB-CE1 4.12Å; A224-R264 HydrophobicContact CB-CG 3.89Å; A224-I265 CarbonylContact C-O 3.53Å; A224-I265 VanDerWaalsContact CA-O 3.25Å; A224-I265 WeakPolarHBondContact CA-O 3.26Å; A224-I265 VanDerWaalsContact CB-O 3.25Å; A224-I265 WeakPolarHBondContact CB-O 3.39Å
225I98.4Very high95.3Very high1 Ų125.6 Ų25.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-102.9130.6159-65.3-170.2000108.3I88 L90 F215 I265 V270 W280I88-I225 HydrophobicContact CB-CG1 4.26Å; I88-I225 CarbonylContact O-C 3.45Å; I88-I225 WeakPolarHBondContact O-CA 3.31Å; L90-I225 HydrophobicContact CB-CG2 4.46Å; L90-I225 HydrophobicContact CD1-CD1 4.4Å; L90-I225 HydrophobicContact CD1-CG2 3.68Å; L90-I225 HydrophobicContact CG-CG2 3.81Å; F215-I225 HydrophobicContact CD2-CD1 3.95Å; F215-I225 HydrophobicContact CD2-CG1 4.44Å; F215-I225 HydrophobicContact CE2-CD1 4.34Å; I225-I265 HydrophobicContact CB-CB 4.47Å; I225-I265 PolarHBondContact N-O 3.49Å; I225-I265 PolarHBondContact O-N 3.33Å; I225-V270 HydrophobicContact CB-CG2 4.48Å; I225-V270 HydrophobicContact CD1-CB 4.41Å; I225-V270 HydrophobicContact CD1-CG1 3.84Å; I225-V270 HydrophobicContact CD1-CG2 3.72Å; I225-V270 HydrophobicContact CG1-CG2 4.01Å; I225-W280 HydrophobicContact CD1-CH2 3.92Å; I225-W280 HydrophobicContact CD1-CZ3 4.38Å; I225-W280 HydrophobicContact CG2-CH2 4.39Å
226Y98.6Very high94.1Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-95.5110.7169.3-72.98.1000108.6L80 P81 E85 I87 I88 L90 Q109 Y167 A224 R264L80-Y226 HydrophobicContact CD1-CD2 4.38Å; L80-Y226 HydrophobicContact CD1-CE2 3.86Å; P81-Y226 WeakPolarHBondContact CD-OH 3.41Å; P81-Y226 HydrophobicContact CG-CE1 4.34Å; P81-Y226 VanDerWaalsContact CG-OH 3.29Å; P81-Y226 WeakPolarHBondContact CG-OH 3.38Å; E85-Y226 VanDerWaalsContact OE2-CE1 3.32Å; E85-Y226 WeakPolarHBondContact OE2-CE1 3.43Å; E85-Y226 PolarHBondContact OE2-OH 2.86Å; I87-Y226 HydrophobicContact CB-CD1 4.36Å; I87-Y226 HydrophobicContact CB-CE1 4.45Å; I87-Y226 HydrophobicContact CD1-CD2 4.24Å; I87-Y226 HydrophobicContact CD1-CG 4.3Å; I87-Y226 HydrophobicContact CG1-CD2 4.22Å; I87-Y226 HydrophobicContact CG1-CE2 4.34Å; I87-Y226 HydrophobicContact CG1-CG 4.34Å; I87-Y226 HydrophobicContact CG2-CD1 4.05Å; I87-Y226 HydrophobicContact CG2-CE1 3.69Å; I88-Y226 PolarHBondContact O-N 2.92Å; L90-Y226 PolarHBondContact N-O 2.97Å; Q109-Y226 PolarHBondContact NE2-OH 3.45Å; Y167-Y226 HydrophobicContact CE2-CD2 4.45Å; Y167-Y226 HydrophobicContact CE2-CE2 4.3Å; A224-Y226 HydrophobicContact CB-CD1 4.31Å; A224-Y226 HydrophobicContact CB-CE1 4.12Å; Y226-R264 HydrophobicContact CD1-CB 4.29Å; Y226-R264 HydrophobicContact CD1-CG 4.06Å; Y226-R264 HydrophobicContact CE1-CB 4.26Å; Y226-R264 HydrophobicContact CE1-CG 3.75Å
227D98.6Very high92.6Very high2 Ų229 Ų291%0.01116%0.156CC..EExtended strand (participates in β ladder)trans-95.3105177.5-171.833.9000110.1D263 I265 R284 K288D227-D263 HydrophobicContact CB-CB 4.42Å; D227-D263 PolarHBondContact N-O 3.14Å; D227-D263 PolarHBondContact O-N 3.36Å; D227-I265 HydrophobicContact CB-CD1 3.83Å; D227-R284 IonicContact OD2-CZ 2.97Å; D227-R284 IonicContact OD2-NE 3.74Å; D227-R284 PolarHBondContact OD2-NE 3.27Å; D227-R284 IonicContact OD2-NH2 3.78Å; D227-R284 PolarHBondContact OD2-NH2 3.18Å; D227-K288 WeakPolarHBondContact OD1-CE 3.34Å; D227-K288 IonicContact OD1-NZ 3.53Å; D227-K288 PolarHBondContact OD1-NZ 3.01Å; D227-K288 IonicContact OD2-NZ 2.78Å; D227-K288 PolarHBondContact OD2-NZ 3.11Å
228V98.8Very high91.1Very high0 Ų032.1 Ų32.10%019%0.191CC..EExtended strand (participates in β ladder)trans-113.1135.1-166.2-177.80000111.5Y89 L90 A91 L105 V230 I260 H261 I262 K288Y89-V228 HydrophobicContact CD2-CB 4.45Å; Y89-V228 HydrophobicContact CD2-CG2 3.82Å; Y89-V228 HydrophobicContact CE2-CB 3.67Å; Y89-V228 HydrophobicContact CE2-CG1 3.94Å; Y89-V228 HydrophobicContact CE2-CG2 3.37Å; Y89-V228 WeakPolarHBondContact OH-CG1 3.27Å; L90-V228 PolarHBondContact O-N 2.83Å; A91-V228 VanDerWaalsContact CA-O 3.22Å; A91-V228 WeakPolarHBondContact CA-O 3.44Å; A91-V228 HydrophobicContact CB-CB 4.15Å; A91-V228 WeakPolarHBondContact CB-O 3.36Å; L105-V228 HydrophobicContact CD1-CG1 4.08Å; L105-V228 HydrophobicContact CD1-CG2 4.23Å; V228-V230 HydrophobicContact CG1-CG2 4.03Å; V228-I260 HydrophobicContact CG1-CG2 3.55Å; V228-H261 CarbonylContact C-O 3.55Å; V228-H261 VanDerWaalsContact CA-O 3.29Å; V228-H261 WeakPolarHBondContact CA-O 3.22Å; V228-I262 HydrophobicContact CG1-CG1 4.41Å; V228-I262 HydrophobicContact CG2-CG1 4.21Å; V228-I262 HydrophobicContact CG2-CG2 4.22Å; V228-K288 WeakPolarHBondContact O-CE 3.32Å; V228-K288 PolarHBondContact O-NZ 2.72Å
229T98.7Very high89.7Confident0 Ų033.8 Ų33.80%021%0.208CC..EExtended strand (participates in β ladder)trans-120.8121.5176.1-47.80000108.9N92 I260 H261 K288 M291 L292 F307N92-T229 WeakPolarHBondContact OD1-CA 3.16Å; T229-I260 WeakPolarHBondContact O-CA 3.49Å; T229-H261 PolarHBondContact N-O 2.72Å; T229-H261 PolarHBondContact O-N 3.45Å; T229-K288 HydrophobicContact CG2-CB 4.13Å; T229-K288 HydrophobicContact CG2-CG 4.37Å; T229-K288 WeakPolarHBondContact OG1-CG 3.49Å; T229-K288 PolarHBondContact OG1-NZ 2.91Å; T229-K288 VanDerWaalsContact OG1-NZ 3.16Å; T229-M291 HydrophobicContact CG2-CE 4.25Å; T229-M291 VanDerWaalsContact OG1-CE 3.28Å; T229-M291 WeakPolarHBondContact OG1-CE 2.93Å; T229-L292 HydrophobicContact CG2-CD1 4.44Å; T229-L292 HydrophobicContact CG2-CD2 4.24Å; T229-L292 HydrophobicContact CG2-CG 4.24Å; T229-F307 HydrophobicContact CG2-CE1 4.21Å; T229-F307 HydrophobicContact CG2-CZ 3.87Å; T229-F307 WeakPolarHBondContact O-CE2 3.31Å
230V98.3Very high88.9Confident1 Ų137.9 Ų37.91%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-109.9142.2-176-172.60000109.5N92 Q94 V101 V228 Y232 I258 H259N92-V230 PolarHBondContact ND2-O 3.49Å; N92-V230 VanDerWaalsContact ND2-O 3.1Å; N92-V230 PolarHBondContact OD1-N 3.15Å; Q94-V230 PolarHBondContact NE2-O 3.04Å; V101-V230 HydrophobicContact CB-CG2 4.44Å; V101-V230 HydrophobicContact CG1-CG1 4.2Å; V101-V230 HydrophobicContact CG1-CG2 3.71Å; V101-V230 HydrophobicContact CG2-CG1 4.12Å; V228-V230 HydrophobicContact CG1-CG2 4.03Å; V230-Y232 HydrophobicContact CG1-CD2 4.32Å; V230-Y232 HydrophobicContact CG1-CE1 4.29Å; V230-Y232 HydrophobicContact CG1-CE2 3.71Å; V230-I258 HydrophobicContact CG1-CG2 3.76Å; V230-H259 CarbonylContact C-O 3.49Å; V230-H259 WeakPolarHBondContact CA-O 3.49Å
231V97.1Very high88.7Confident0 Ų032.1 Ų32.10%020%0.195CC..EExtended strand (participates in β ladder)trans-135.9139.4163.9171.30000109.3I258 H259 L292 F295 Y296 F307V231-I258 WeakPolarHBondContact O-CA 3.49Å; V231-H259 HydrophobicContact CB-CB 4.36Å; V231-H259 PolarHBondContact N-O 2.86Å; V231-H259 PolarHBondContact O-N 3.1Å; V231-L292 HydrophobicContact CG2-CD2 3.18Å; V231-F295 HydrophobicContact CB-CE1 4.28Å; V231-F295 HydrophobicContact CB-CE2 4.25Å; V231-F295 HydrophobicContact CB-CZ 4.07Å; V231-F295 HydrophobicContact CG1-CD1 3.9Å; V231-F295 HydrophobicContact CG1-CE1 3.33Å; V231-F295 HydrophobicContact CG1-CE2 4.1Å; V231-F295 HydrophobicContact CG1-CZ 3.43Å; V231-F295 VanDerWaalsContact CG1-CZ 3.43Å; V231-F295 HydrophobicContact CG2-CD1 4.41Å; V231-F295 HydrophobicContact CG2-CD2 4.44Å; V231-F295 HydrophobicContact CG2-CG 4.37Å; V231-Y296 HydrophobicContact CG1-CE1 4.26Å; V231-Y296 VanDerWaalsContact CG1-OH 3.26Å; V231-Y296 WeakPolarHBondContact CG1-OH 3.44Å; V231-Y296 HydrophobicContact CG2-CE2 4.39Å; V231-F307 HydrophobicContact CB-CZ 4.18Å; V231-F307 HydrophobicContact CG2-CE1 4.08Å; V231-F307 HydrophobicContact CG2-CZ 3.6Å
232Y96Very high88.5Confident10 Ų1035 Ų354%0.03921%0.206CC..EExtended strand (participates in β ladder)trans-106.8121.8174.1-56.1-89.7000108.8Q94 S95 V97 D98 V101 V230 P245 F250 I258Q94-Y232 HydrophobicContact CG-CD2 4.05Å; Q94-Y232 HydrophobicContact CG-CE2 3.85Å; S95-Y232 VanDerWaalsContact CB-CE2 3.42Å; V97-Y232 HydrophobicContact CB-CE1 4.04Å; V97-Y232 HydrophobicContact CG1-CE1 3.96Å; D98-Y232 VanDerWaalsContact CA-OH 3.28Å; D98-Y232 WeakPolarHBondContact CA-OH 3Å; D98-Y232 PolarHBondContact N-OH 3.45Å; D98-Y232 WeakPolarHBondContact OD1-CE2 3.43Å; D98-Y232 VanDerWaalsContact OD1-CZ 3.3Å; D98-Y232 PolarHBondContact OD1-OH 3.29Å; V101-Y232 HydrophobicContact CG2-CE1 4.07Å; V101-Y232 VanDerWaalsContact CG2-OH 3.28Å; V101-Y232 WeakPolarHBondContact CG2-OH 3.32Å; V230-Y232 HydrophobicContact CG1-CD2 4.32Å; V230-Y232 HydrophobicContact CG1-CE1 4.29Å; V230-Y232 HydrophobicContact CG1-CE2 3.71Å; Y232-P245 HydrophobicContact CD1-CG 4.27Å; Y232-P245 HydrophobicContact CG-CG 4.1Å; Y232-F250 HydrophobicContact CD1-CE2 4.34Å; Y232-F250 HydrophobicContact CE1-CE2 4.47Å; Y232-I258 HydrophobicContact CD1-CD1 4.18Å; Y232-I258 HydrophobicContact CD1-CG1 3.96Å; Y232-I258 HydrophobicContact CD1-CG2 4.27Å; Y232-I258 HydrophobicContact CE1-CD1 4.03Å; Y232-I258 HydrophobicContact CE1-CG1 4.28Å; Y232-I258 HydrophobicContact CE1-CG2 4.26Å
233E92.5Very high88.3Confident16 Ų1638 Ų388%0.07522%0.22CC..  trans-75.4157.3169.8-70.7-166.9167.200110.6C255 P256 K257 H259E233-C255 WeakPolarHBondContact O-CA 3.4Å; E233-C255 PolarHBondContact O-SG 3.45Å; E233-P256 HydrophobicContact CB-CG 4.16Å; E233-P256 WeakPolarHBondContact O-CD 3.21Å; E233-K257 HydrophobicContact CB-CB 4.24Å; E233-K257 HydrophobicContact CG-CB 4.11Å; E233-K257 PolarHBondContact N-O 2.73Å; E233-K257 IonicContact OE1-NZ 2.77Å; E233-K257 VanDerWaalsContact OE2-CD 3.27Å; E233-K257 WeakPolarHBondContact OE2-CD 3.5Å; E233-K257 WeakPolarHBondContact OE2-CG 3.36Å; E233-K257 IonicContact OE2-NZ 3.81Å; E233-K257 PolarHBondContact OE2-NZ 2.87Å; E233-H259 IonicContact OE1-CE1 2.67Å; E233-H259 IonicContact OE1-NE2 3.73Å; E233-H259 PolarHBondContact OE1-NE2 3.24Å
234G81.9Confident88.1Confident42 Ų4235.5 Ų35.543%0.43321%0.207SC..SBendtrans136-39.816100000114.8D236G234-D236 PolarHBondContact N-OD1 2.77Å; G234-D236 VanDerWaalsContact N-OD1 3.17Å
235K80.5Confident88Confident61 Ų6135.6 Ų35.627%0.26521%0.208SC..SBendtrans-98.1-3.7-178.6-77.1-173.2163.7-1750114.4D237 R242 E243 E249K235-D237 PolarHBondContact O-N 3.16Å; K235-R242 HydrophobicContact CB-CB 4.25Å; K235-R242 WeakPolarHBondContact O-CB 3.45Å; K235-R242 WeakPolarHBondContact O-CD 3.44Å; K235-R242 WeakPolarHBondContact O-CG 3.4Å; K235-E243 VanDerWaalsContact CD-O 3.27Å; K235-E243 WeakPolarHBondContact CD-O 3.31Å; K235-E249 WeakPolarHBondContact CE-OE1 3.17Å; K235-E249 WeakPolarHBondContact CE-OE2 3.5Å; K235-E249 IonicContact NZ-OE1 2.97Å; K235-E249 PolarHBondContact NZ-OE1 2.84Å; K235-E249 IonicContact NZ-OE2 2.76Å; K235-E249 PolarHBondContact NZ-OE2 2.83Å
236D72.5Confident87.8Confident38 Ų3837.7 Ų37.720%0.20322%0.22CC..  trans-70125.9178.157.4-62.1000111G234 K305G234-D236 PolarHBondContact N-OD1 2.77Å; G234-D236 VanDerWaalsContact N-OD1 3.17Å; D236-K305 IonicContact OD1-NZ 2.83Å; D236-K305 WeakPolarHBondContact OD2-CE 3.34Å; D236-K305 IonicContact OD2-NZ 3.2Å; D236-K305 PolarHBondContact OD2-NZ 3.49Å
237D65.7Low87.7Confident94 Ų9441.2 Ų41.250%0.50324%0.238SC..BIsolated β-bridgetrans-115.6116.8-177.4-179.720.6000109.7K235 G239 Q240 R242K235-D237 PolarHBondContact O-N 3.16Å; D237-G239 PolarHBondContact O-N 3.08Å; D237-Q240 PolarHBondContact N-O 2.88Å; D237-Q240 PolarHBondContact O-N 3.35Å; D237-R242 IonicContact OD2-CZ 2.71Å; D237-R242 IonicContact OD2-NH2 3.92Å; D237-R242 PolarHBondContact OD2-NH2 2.86Å
238G64.4Low87.5Confident82 Ų8244.3 Ų44.385%0.84526%0.257SS*.THydrogen-bonded Turntrans57.620.7174.800000115.8
239G67.6Low87.3Confident36 Ų3646.4 Ų46.437%0.37127%0.267SS..THydrogen-bonded Turntrans95.4-1.6-176.100000115.1D237D237-G239 PolarHBondContact O-N 3.08Å
240Q76.4Confident87.2Confident148 Ų14846.5 Ų46.569%0.69227%0.267SS*.BIsolated β-bridgetrans-87.1124.2171.8-65.4-171.510.300110.9D237 R242D237-Q240 PolarHBondContact N-O 2.88Å; D237-Q240 PolarHBondContact O-N 3.35Å; Q240-R242 PolarHBondContact O-N 3.34Å
241R89Confident87.1Confident27 Ų2746.6 Ų46.610%0.10227%0.268CS..  trans-67.8125.7173.5-174.7-175.9-174.5-172.8-2.6110.2Y177 H202 Y296Y177-R241 VanDerWaalsContact CE1-NH1 3.29Å; H202-R241 VanDerWaalsContact CA-NH1 3.26Å; H202-R241 VanDerWaalsContact ND1-CD 3.3Å; H202-R241 WeakPolarHBondContact ND1-CD 3.46Å; H202-R241 PolarHBondContact ND1-NH1 3.05Å; H202-R241 PolarHBondContact O-NH1 3.48Å; R241-Y296 HydrophobicContact CB-CD1 3.96Å; R241-Y296 HydrophobicContact CB-CD2 4.35Å; R241-Y296 HydrophobicContact CB-CE1 4.16Å; R241-Y296 HydrophobicContact CB-CG 4.07Å; R241-Y296 HydrophobicContact CG-CD1 4.11Å; R241-Y296 HydrophobicContact CG-CD2 4.25Å; R241-Y296 HydrophobicContact CG-CE1 3.8Å; R241-Y296 HydrophobicContact CG-CE2 3.98Å; R241-Y296 HydrophobicContact CG-CG 4.33Å; R241-Y296 PolarHBondContact NE-OH 2.84Å
242R91.1Very high87Confident113 Ų11347.1 Ų47.143%0.42627%0.271SS..  trans-107.8177.9173.2-61.6-160.2-177179.9-0.5111.9P179 K235 D237 Q240 S244P179-R242 VanDerWaalsContact CG-C 3.5Å; K235-R242 HydrophobicContact CB-CB 4.25Å; K235-R242 WeakPolarHBondContact O-CB 3.45Å; K235-R242 WeakPolarHBondContact O-CD 3.44Å; K235-R242 WeakPolarHBondContact O-CG 3.4Å; D237-R242 IonicContact OD2-CZ 2.71Å; D237-R242 IonicContact OD2-NH2 3.92Å; D237-R242 PolarHBondContact OD2-NH2 2.86Å; Q240-R242 PolarHBondContact O-N 3.34Å; R242-S244 PolarHBondContact O-N 3.06Å
243E92.5Very high86.8Confident64 Ų6450.8 Ų50.830%0.29929%0.287SS..PPolyproline II helixtrans-53.7134.8171.6-175174.1-144.300111.1N178 K235N178-E243 WeakPolarHBondContact ND2-CG 3.34Å; N178-E243 PolarHBondContact ND2-OE1 3.06Å; K235-E243 VanDerWaalsContact CD-O 3.27Å; K235-E243 WeakPolarHBondContact CD-O 3.31Å
244S94.7Very high86.8Confident9 Ų954.2 Ų54.26%0.06330%0.303CS..PPolyproline II helixtrans-66.1150.1175.8-60.40000111.4Q94 R242 T246Q94-S244 VanDerWaalsContact CG-OG 3.27Å; Q94-S244 WeakPolarHBondContact CG-OG 3.44Å; Q94-S244 PolarHBondContact OE1-OG 3.17Å; R242-S244 PolarHBondContact O-N 3.06Å; S244-T246 PolarHBondContact O-N 3.09Å
245P94.8Very high87.4Confident3 Ų352.4 Ų52.42%0.01928%0.284CS..PPolyproline II helixtrans-58.4138.4-175.824.3-34.4000111.5S95 Y232 E249 F250 C255S95-P245 PolarHBondContact OG-O 3Å; Y232-P245 HydrophobicContact CD1-CG 4.27Å; Y232-P245 HydrophobicContact CG-CG 4.1Å; P245-E249 WeakPolarHBondContact CA-OE2 3.49Å; P245-E249 HydrophobicContact CB-CB 4.23Å; P245-F250 HydrophobicContact CG-CD2 4.49Å; P245-C255 HydrophobicContact CG-CB 4.04Å
246T95.4Very high88.1Confident45 Ų4552.8 Ų52.828%0.27629%0.293SS..PPolyproline II helixtrans-71.6168.4167.9680000110.5T96 S244 T248 E249 F250T96-T246 WeakPolarHBondContact OG1-CA 3.39Å; S244-T246 PolarHBondContact O-N 3.09Å; T246-T248 VanDerWaalsContact C-N 3.25Å; T246-T248 PolarHBondContact O-N 3.43Å; T246-E249 PolarHBondContact N-OE2 3.08Å; T246-E249 PolarHBondContact O-N 3.44Å; T246-E249 VanDerWaalsContact OG1-CG 3.31Å; T246-E249 WeakPolarHBondContact OG1-CG 3.23Å; T246-E249 PolarHBondContact OG1-N 3.35Å; T246-E249 PolarHBondContact OG1-OE2 3.41Å; T246-F250 VanDerWaalsContact O-CB 3.24Å; T246-F250 WeakPolarHBondContact O-CB 3.44Å; T246-F250 PolarHBondContact O-N 2.78Å
247M94.9Very high89.2Confident74 Ų7454.2 Ų54.237%0.36530%0.297SS..Hα-helixtrans-60.9-37.3179.5-165.6174.669.700111.6F66 T96 V97 W99 L251F66-M247 HydrophobicContact CE1-CG 3.59Å; F66-M247 HydrophobicContact CZ-CG 3.33Å; F66-M247 HydrophobicContact CZ-SD 3.82Å; T96-M247 PolarHBondContact OG1-N 3.46Å; V97-M247 HydrophobicContact CG2-CB 4.48Å; W99-M247 HydrophobicContact CZ2-SD 4.43Å; M247-L251 WeakPolarHBondContact O-CB 3.19Å; M247-L251 VanDerWaalsContact O-CG 3.3Å; M247-L251 WeakPolarHBondContact O-CG 3.24Å; M247-L251 PolarHBondContact O-N 2.87Å
248T94.5Very high90.8Very high67 Ų6749.8 Ų49.841%0.41127%0.273SS..Hα-helixtrans-65.5-49.8176.5-53.10000111.4Y14 T246 F250 L251 C252Y14-T248 HydrophobicContact CD1-CG2 3.6Å; Y14-T248 HydrophobicContact CD2-CG2 4.12Å; Y14-T248 HydrophobicContact CE1-CG2 3.99Å; Y14-T248 HydrophobicContact CE2-CG2 4.48Å; Y14-T248 HydrophobicContact CG-CG2 3.68Å; T246-T248 VanDerWaalsContact C-N 3.25Å; T246-T248 PolarHBondContact O-N 3.43Å; T248-F250 VanDerWaalsContact C-N 3.31Å; T248-F250 PolarHBondContact O-N 2.8Å; T248-L251 PolarHBondContact O-N 2.95Å; T248-C252 PolarHBondContact O-N 2.96Å; T248-C252 PolarHBondContact O-SG 2.87Å
249E94.4Very high92.4Very high45 Ų4546 Ų4621%0.2123%0.233CC..Hα-helixtrans-62.4-41.5179.4-68.5167.4158.500111.1K235 P245 T246 L251 C252 K253 E254K235-E249 WeakPolarHBondContact CE-OE1 3.17Å; K235-E249 WeakPolarHBondContact CE-OE2 3.5Å; K235-E249 IonicContact NZ-OE1 2.97Å; K235-E249 PolarHBondContact NZ-OE1 2.84Å; K235-E249 IonicContact NZ-OE2 2.76Å; K235-E249 PolarHBondContact NZ-OE2 2.83Å; P245-E249 WeakPolarHBondContact CA-OE2 3.49Å; P245-E249 HydrophobicContact CB-CB 4.23Å; T246-E249 PolarHBondContact N-OE2 3.08Å; T246-E249 PolarHBondContact O-N 3.44Å; T246-E249 VanDerWaalsContact OG1-CG 3.31Å; T246-E249 WeakPolarHBondContact OG1-CG 3.23Å; T246-E249 PolarHBondContact OG1-N 3.35Å; T246-E249 PolarHBondContact OG1-OE2 3.41Å; E249-L251 PolarHBondContact O-N 3.16Å; E249-C252 CarbonylContact O-C 3.57Å; E249-C252 WeakPolarHBondContact O-CA 3.37Å; E249-C252 WeakPolarHBondContact O-CB 3.39Å; E249-C252 PolarHBondContact O-N 3.13Å; E249-K253 PolarHBondContact O-N 2.87Å; E249-E254 HydrophobicContact CB-CB 4.32Å; E249-E254 HydrophobicContact CB-CG 4.49Å; E249-E254 WeakPolarHBondContact CB-OE2 3.39Å; E249-E254 WeakPolarHBondContact CG-OE2 3.46Å; E249-E254 WeakPolarHBondContact O-CB 3.35Å; E249-E254 PolarHBondContact O-N 3.38Å; E249-E254 VanDerWaalsContact O-N 3.09Å
250F96.3Very high93.8Very high1 Ų144.2 Ų44.20%0.00422%0.216CC..Hα-helixtrans-59.6-46.1175.2-170.2-80.1000111.7F66 T70 V72 V97 Y232 P245 T246 T248 C252 K253 C255 I258F66-F250 HydrophobicContact CB-CE1 4.12Å; F66-F250 AromaticContact CD1-CD1 3.41Å; F66-F250 HydrophobicContact CD1-CD1 3.41Å; F66-F250 VanDerWaalsContact CD1-CD1 3.41Å; F66-F250 AromaticContact CD1-CE1 3.49Å; F66-F250 HydrophobicContact CD1-CE1 3.49Å; F66-F250 VanDerWaalsContact CD1-CE1 3.49Å; F66-F250 HydrophobicContact CD1-CG 4.4Å; F66-F250 AromaticContact CE1-CD1 3.83Å; F66-F250 HydrophobicContact CE1-CD1 3.83Å; F66-F250 HydrophobicContact CE1-CE1 4.36Å; F66-F250 HydrophobicContact CG-CD1 4.47Å; F66-F250 HydrophobicContact CG-CE1 4.25Å; F66-F250 WeakPolarHBondContact O-CE1 3.39Å; T70-F250 HydrophobicContact CG2-CD1 3.92Å; T70-F250 HydrophobicContact CG2-CE1 3.8Å; T70-F250 WeakPolarHBondContact CG2-O 3.26Å; V72-F250 HydrophobicContact CB-CZ 4.19Å; V72-F250 HydrophobicContact CG1-CZ 3.95Å; V72-F250 HydrophobicContact CG2-CE2 4.33Å; V72-F250 HydrophobicContact CG2-CZ 4.16Å; V97-F250 HydrophobicContact CG1-CD2 4.06Å; V97-F250 HydrophobicContact CG1-CE2 4.03Å; V97-F250 HydrophobicContact CG1-CG 4.31Å; V97-F250 HydrophobicContact CG1-CZ 4.25Å; V97-F250 HydrophobicContact CG2-CB 3.82Å; V97-F250 HydrophobicContact CG2-CD2 4.02Å; V97-F250 HydrophobicContact CG2-CG 3.87Å; Y232-F250 HydrophobicContact CD1-CE2 4.34Å; Y232-F250 HydrophobicContact CE1-CE2 4.47Å; P245-F250 HydrophobicContact CG-CD2 4.49Å; T246-F250 VanDerWaalsContact O-CB 3.24Å; T246-F250 WeakPolarHBondContact O-CB 3.44Å; T246-F250 PolarHBondContact O-N 2.78Å; T248-F250 VanDerWaalsContact C-N 3.31Å; T248-F250 PolarHBondContact O-N 2.8Å; F250-C252 PolarHBondContact O-N 2.9Å; F250-K253 WeakPolarHBondContact O-CA 3.44Å; F250-K253 PolarHBondContact O-N 3.3Å; F250-C255 HydrophobicContact CD2-CB 3.55Å; F250-C255 HydrophobicContact CE2-CB 3.82Å; F250-C255 HydrophobicContact CG-CB 4.42Å; F250-I258 HydrophobicContact CE2-CD1 3.6Å; F250-I258 HydrophobicContact CE2-CG1 4.11Å; F250-I258 HydrophobicContact CZ-CD1 3.75Å
251L96.1Very high94.9Very high4 Ų438.9 Ų38.92%0.02119%0.191CC..Hα-helixtrans-68.4-21.7174.9-70.9170.6000113.3P17 F65 F66 T70 M247 T248 E249 K253P17-L251 HydrophobicContact CB-CD1 3.95Å; P17-L251 HydrophobicContact CB-CD2 3.86Å; P17-L251 HydrophobicContact CB-CG 4.43Å; P17-L251 HydrophobicContact CG-CD2 3.98Å; F65-L251 HydrophobicContact CB-CD2 4.21Å; F66-L251 HydrophobicContact CD1-CD2 4.27Å; F66-L251 HydrophobicContact CD2-CD2 4.19Å; F66-L251 HydrophobicContact CE1-CD1 4.39Å; F66-L251 HydrophobicContact CE1-CD2 3.97Å; F66-L251 HydrophobicContact CE1-CG 3.91Å; F66-L251 HydrophobicContact CE2-CD1 4.32Å; F66-L251 HydrophobicContact CE2-CD2 3.93Å; F66-L251 HydrophobicContact CE2-CG 4.37Å; F66-L251 HydrophobicContact CG-CD2 4.35Å; F66-L251 HydrophobicContact CZ-CD1 3.79Å; F66-L251 HydrophobicContact CZ-CD2 3.79Å; F66-L251 HydrophobicContact CZ-CG 3.77Å; T70-L251 HydrophobicContact CG2-CD2 4.4Å; M247-L251 WeakPolarHBondContact O-CB 3.19Å; M247-L251 VanDerWaalsContact O-CG 3.3Å; M247-L251 WeakPolarHBondContact O-CG 3.24Å; M247-L251 PolarHBondContact O-N 2.87Å; T248-L251 PolarHBondContact O-N 2.95Å; E249-L251 PolarHBondContact O-N 3.16Å; L251-K253 PolarHBondContact O-N 3.41Å
252C95Very high95.3Very high10 Ų1037.8 Ų37.87%0.06819%0.187CC..THydrogen-bonded Turntrans-77.60.5169.2-64.30000113.7T248 E249 F250 E254T248-C252 PolarHBondContact O-N 2.96Å; T248-C252 PolarHBondContact O-SG 2.87Å; E249-C252 CarbonylContact O-C 3.57Å; E249-C252 WeakPolarHBondContact O-CA 3.37Å; E249-C252 WeakPolarHBondContact O-CB 3.39Å; E249-C252 PolarHBondContact O-N 3.13Å; F250-C252 PolarHBondContact O-N 2.9Å; C252-E254 HydrophobicContact CB-CG 4.28Å
253K93.1Very high95.6Very high87 Ų8735.2 Ų35.238%0.37818%0.181SC..THydrogen-bonded Turntrans69.630.2-179.4-44.4-170.5173.8-151.30113.7Y69 T70 E249 F250 L251 C255Y69-K253 WeakPolarHBondContact O-CE 3.36Å; Y69-K253 PolarHBondContact O-NZ 3.36Å; T70-K253 VanDerWaalsContact O-CD 3.27Å; T70-K253 WeakPolarHBondContact O-CD 3.42Å; T70-K253 WeakPolarHBondContact O-CE 3.37Å; T70-K253 PolarHBondContact O-NZ 2.93Å; E249-K253 PolarHBondContact O-N 2.87Å; F250-K253 WeakPolarHBondContact O-CA 3.44Å; F250-K253 PolarHBondContact O-N 3.3Å; L251-K253 PolarHBondContact O-N 3.41Å; K253-C255 PolarHBondContact O-N 2.92Å
254E92.1Very high95.9Very high89 Ų8936 Ų3642%0.41618%0.181SC..  trans-80-6176.2-62.7-178.9-160.200113.3E249 C252E249-E254 HydrophobicContact CB-CB 4.32Å; E249-E254 HydrophobicContact CB-CG 4.49Å; E249-E254 WeakPolarHBondContact CB-OE2 3.39Å; E249-E254 WeakPolarHBondContact CG-OE2 3.46Å; E249-E254 WeakPolarHBondContact O-CB 3.35Å; E249-E254 PolarHBondContact O-N 3.38Å; E249-E254 VanDerWaalsContact O-N 3.09Å; C252-E254 HydrophobicContact CB-CG 4.28Å
255C94.9Very high96Very high4 Ų436.2 Ų36.23%0.02718%0.182CC..  trans-111.3101.1174.6-176.20000109.7V72 E233 P245 F250 K253 K257V72-C255 WeakPolarHBondContact CG2-O 3.5Å; E233-C255 WeakPolarHBondContact O-CA 3.4Å; E233-C255 PolarHBondContact O-SG 3.45Å; P245-C255 HydrophobicContact CG-CB 4.04Å; F250-C255 HydrophobicContact CD2-CB 3.55Å; F250-C255 HydrophobicContact CE2-CB 3.82Å; F250-C255 HydrophobicContact CG-CB 4.42Å; K253-C255 PolarHBondContact O-N 2.92Å; C255-K257 PolarHBondContact SG-O 2.83Å; C255-K257 VanDerWaalsContact SG-O 3.33Å
256P94.4Very high96.1Very high69 Ų6938.2 Ų38.245%0.44819%0.192SC..  trans-74.5-32.1-179.327.9-34000112.7Q73 E233Q73-P256 PolarHBondContact N-O 3.14Å; E233-P256 HydrophobicContact CB-CG 4.16Å; E233-P256 WeakPolarHBondContact O-CD 3.21Å
257K96.6Very high96.2Very high68 Ų6839.6 Ų39.630%0.29620%0.195SC..EExtended strand (participates in β ladder)trans-141.7146.5-177.1-47.9-169.4-165.6137.70112.7Q73 L75 E233 C255Q73-K257 HydrophobicContact CB-CB 4.44Å; Q73-K257 HydrophobicContact CB-CG 4.07Å; Q73-K257 CarbonylContact O-C 3.51Å; Q73-K257 VanDerWaalsContact O-CA 3.31Å; Q73-K257 WeakPolarHBondContact O-CA 3.32Å; Q73-K257 VanDerWaalsContact OE1-CD 3.31Å; L75-K257 HydrophobicContact CD1-CD 3.98Å; E233-K257 HydrophobicContact CB-CB 4.24Å; E233-K257 HydrophobicContact CG-CB 4.11Å; E233-K257 PolarHBondContact N-O 2.73Å; E233-K257 IonicContact OE1-NZ 2.77Å; E233-K257 VanDerWaalsContact OE2-CD 3.27Å; E233-K257 WeakPolarHBondContact OE2-CD 3.5Å; E233-K257 WeakPolarHBondContact OE2-CG 3.36Å; E233-K257 IonicContact OE2-NZ 3.81Å; E233-K257 PolarHBondContact OE2-NZ 2.87Å; C255-K257 PolarHBondContact SG-O 2.83Å; C255-K257 VanDerWaalsContact SG-O 3.33Å
258I97.7Very high96.3Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-118.2127166.7-49.8176.8000108V72 Q73 I74 L75 V101 V230 V231 Y232 F250 I260V72-I258 HydrophobicContact CG2-CD1 4.14Å; V72-I258 HydrophobicContact CG2-CG1 3.72Å; Q73-I258 PolarHBondContact O-N 3.36Å; I74-I258 HydrophobicContact CD1-CB 4.03Å; I74-I258 HydrophobicContact CD1-CD1 3.7Å; I74-I258 HydrophobicContact CD1-CG1 4.07Å; L75-I258 PolarHBondContact N-O 3.15Å; V101-I258 HydrophobicContact CG2-CD1 4.42Å; V101-I258 HydrophobicContact CG2-CG2 4.47Å; V230-I258 HydrophobicContact CG1-CG2 3.76Å; V231-I258 WeakPolarHBondContact O-CA 3.49Å; Y232-I258 HydrophobicContact CD1-CD1 4.18Å; Y232-I258 HydrophobicContact CD1-CG1 3.96Å; Y232-I258 HydrophobicContact CD1-CG2 4.27Å; Y232-I258 HydrophobicContact CE1-CD1 4.03Å; Y232-I258 HydrophobicContact CE1-CG1 4.28Å; Y232-I258 HydrophobicContact CE1-CG2 4.26Å; F250-I258 HydrophobicContact CE2-CD1 3.6Å; F250-I258 HydrophobicContact CE2-CG1 4.11Å; F250-I258 HydrophobicContact CZ-CD1 3.75Å; I258-I260 HydrophobicContact CG2-CD1 4.18Å; I258-I260 HydrophobicContact CG2-CG1 3.71Å
259H98.1Very high96.4Very high2 Ų245.1 Ų45.11%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-98.6124.7171.7-60-108.4000107.9L75 Y77 V230 V231 E233 F295 K305 F307L75-H259 VanDerWaalsContact CD1-CE1 3.42Å; L75-H259 WeakPolarHBondContact CD1-CE1 3.39Å; Y77-H259 HydrophobicContact CE2-CB 3.86Å; Y77-H259 AromaticContact CE2-ND1 3.55Å; Y77-H259 AromaticContact CZ-ND1 3.61Å; Y77-H259 PolarHBondContact OH-ND1 3.1Å; V230-H259 CarbonylContact C-O 3.49Å; V230-H259 WeakPolarHBondContact CA-O 3.49Å; V231-H259 HydrophobicContact CB-CB 4.36Å; V231-H259 PolarHBondContact N-O 2.86Å; V231-H259 PolarHBondContact O-N 3.1Å; E233-H259 IonicContact OE1-CE1 2.67Å; E233-H259 IonicContact OE1-NE2 3.73Å; E233-H259 PolarHBondContact OE1-NE2 3.24Å; H259-F295 HydrophobicContact CB-CE2 4.05Å; H259-F295 AromaticContact CD2-CE2 3.9Å; H259-F295 AromaticContact CD2-CZ 3.73Å; H259-F295 AromaticContact CG-CE2 3.65Å; H259-F295 AromaticContact CG-CZ 3.98Å; H259-F295 AromaticContact ND1-CE2 3.79Å; H259-F295 AromaticContact NE2-CZ 3.96Å; H259-K305 PolarHBondContact CE1-O 3.38Å; H259-F307 HydrophobicContact CB-CD2 3.89Å; H259-F307 HydrophobicContact CB-CE2 3.69Å
260I98.6Very high96.5Very high0 Ų043.3 Ų43.30%021%0.207CC..EExtended strand (participates in β ladder)trans-127.8106.9-178.3-51.1170.8000107.5I74 L75 L76 Y77 V101 I104 L105 V228 T229 I258 I262I74-I260 HydrophobicContact CG2-CD1 3.74Å; L75-I260 PolarHBondContact O-N 3.38Å; L76-I260 CarbonylContact C-O 3.51Å; L76-I260 WeakPolarHBondContact CA-O 3.45Å; L76-I260 HydrophobicContact CD2-CB 3.74Å; L76-I260 HydrophobicContact CD2-CD1 3.79Å; L76-I260 HydrophobicContact CD2-CG1 4.24Å; L76-I260 HydrophobicContact CD2-CG2 4.24Å; Y77-I260 PolarHBondContact N-O 2.77Å; V101-I260 HydrophobicContact CG1-CD1 3.58Å; V101-I260 HydrophobicContact CG1-CG1 3.96Å; V101-I260 HydrophobicContact CG1-CG2 4.4Å; I104-I260 HydrophobicContact CG2-CD1 4.23Å; L105-I260 HydrophobicContact CD1-CG2 3.93Å; L105-I260 HydrophobicContact CD2-CD1 4.45Å; L105-I260 HydrophobicContact CD2-CG2 4.29Å; V228-I260 HydrophobicContact CG1-CG2 3.55Å; T229-I260 WeakPolarHBondContact O-CA 3.49Å; I258-I260 HydrophobicContact CG2-CD1 4.18Å; I258-I260 HydrophobicContact CG2-CG1 3.71Å; I260-I262 HydrophobicContact CG2-CD1 4.3Å; I260-I262 HydrophobicContact CG2-CG1 3.96Å
261H98.6Very high96.6Very high36 Ų3645.1 Ų45.117%0.16722%0.219CC..EExtended strand (participates in β ladder)trans-91.1132.8169.9-178.3-73.4000109.9Y77 V228 T229 M291 F307Y77-H261 WeakPolarHBondContact O-CA 3.27Å; V228-H261 CarbonylContact C-O 3.55Å; V228-H261 VanDerWaalsContact CA-O 3.29Å; V228-H261 WeakPolarHBondContact CA-O 3.22Å; T229-H261 PolarHBondContact N-O 2.72Å; T229-H261 PolarHBondContact O-N 3.45Å; H261-M291 HydrophobicContact CB-SD 4.36Å; H261-F307 HydrophobicContact CB-CB 4.4Å; H261-F307 HydrophobicContact CB-CD2 3.59Å; H261-F307 HydrophobicContact CB-CE2 3.91Å; H261-F307 HydrophobicContact CB-CG 4.05Å
262I98Very high96.6Very high4 Ų450.4 Ų50.42%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-125.5125.6-177.9-53173.7000108.3Y77 L80 L105 V228 I260Y77-I262 PolarHBondContact O-N 3.47Å; L80-I262 HydrophobicContact CB-CD1 4.06Å; L80-I262 HydrophobicContact CD1-CD1 4Å; L80-I262 HydrophobicContact CG-CD1 4.47Å; L105-I262 HydrophobicContact CD1-CD1 3.8Å; L105-I262 HydrophobicContact CD1-CG1 4.27Å; L105-I262 HydrophobicContact CD2-CD1 3.48Å; L105-I262 VanDerWaalsContact CD2-CD1 3.48Å; L105-I262 HydrophobicContact CG-CD1 4.25Å; V228-I262 HydrophobicContact CG1-CG1 4.41Å; V228-I262 HydrophobicContact CG2-CG1 4.21Å; V228-I262 HydrophobicContact CG2-CG2 4.22Å; I260-I262 HydrophobicContact CG2-CD1 4.3Å; I260-I262 HydrophobicContact CG2-CG1 3.96Å
263D97.5Very high96.6Very high58 Ų5855.2 Ų55.231%0.3127%0.266SS..EExtended strand (participates in β ladder)trans-114.3121.6166.5-170.914.5000108.9D227 R284D227-D263 HydrophobicContact CB-CB 4.42Å; D227-D263 PolarHBondContact N-O 3.14Å; D227-D263 PolarHBondContact O-N 3.36Å; D263-R284 IonicContact OD2-CZ 2.98Å; D263-R284 VanDerWaalsContact OD2-CZ 3.24Å; D263-R284 IonicContact OD2-NH1 3.63Å; D263-R284 PolarHBondContact OD2-NH1 3.46Å; D263-R284 IonicContact OD2-NH2 2.72Å; D263-R284 PolarHBondContact OD2-NH2 2.88Å
264R97.7Very high96.7Very high80 Ų8054.8 Ų54.830%0.30227%0.265SS..EExtended strand (participates in β ladder)trans-92.3111.9176.9176.2-172-175-77.12.6108.6P81 E85 A224 Y226 D266P81-R264 VanDerWaalsContact CG-CD 3.5Å; E85-R264 IonicContact OE1-CZ 3.73Å; E85-R264 IonicContact OE1-NE 3.65Å; E85-R264 PolarHBondContact OE1-NE 3.44Å; E85-R264 VanDerWaalsContact OE1-NE 3.16Å; E85-R264 IonicContact OE1-NH2 2.7Å; E85-R264 PolarHBondContact OE1-NH2 3.33Å; E85-R264 IonicContact OE2-CZ 3.2Å; E85-R264 IonicContact OE2-NE 3.16Å; E85-R264 PolarHBondContact OE2-NE 3.35Å; E85-R264 IonicContact OE2-NH2 2.69Å; A224-R264 HydrophobicContact CB-CG 3.89Å; Y226-R264 HydrophobicContact CD1-CB 4.29Å; Y226-R264 HydrophobicContact CD1-CG 4.06Å; Y226-R264 HydrophobicContact CE1-CB 4.26Å; Y226-R264 HydrophobicContact CE1-CG 3.75Å; R264-D266 IonicContact NH1-OD2 2.98Å
265I97.7Very high96.8Very high14 Ų1454 Ų547%0.07226%0.261CS..EExtended strand (participates in β ladder)trans-101.3118.2179.5-50.7173.3000108.1A224 I225 D227 D269 V270 W280 R284A224-I265 CarbonylContact C-O 3.53Å; A224-I265 VanDerWaalsContact CA-O 3.25Å; A224-I265 WeakPolarHBondContact CA-O 3.26Å; A224-I265 VanDerWaalsContact CB-O 3.25Å; A224-I265 WeakPolarHBondContact CB-O 3.39Å; I225-I265 HydrophobicContact CB-CB 4.47Å; I225-I265 PolarHBondContact N-O 3.49Å; I225-I265 PolarHBondContact O-N 3.33Å; D227-I265 HydrophobicContact CB-CD1 3.83Å; I265-D269 HydrophobicContact CG2-CB 4.01Å; I265-V270 HydrophobicContact CG2-CG2 4Å; I265-W280 HydrophobicContact CD1-CH2 4.16Å; I265-W280 HydrophobicContact CD1-CZ2 3.57Å; I265-W280 HydrophobicContact CG2-CZ2 4.17Å; I265-R284 HydrophobicContact CD1-CG 4.49Å
266D97.3Very high96.9Very high45 Ų4558.1 Ų58.124%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-61.9143.7176.8-164.9-80.4000110.2R264 K268 D269R264-D266 IonicContact NH1-OD2 2.98Å; D266-K268 HydrophobicContact CB-CG 4.2Å; D266-K268 PolarHBondContact O-N 3.37Å; D266-K268 WeakPolarHBondContact OD1-CD 3.49Å; D266-K268 VanDerWaalsContact OD1-CG 3.24Å; D266-K268 WeakPolarHBondContact OD1-CG 2.99Å; D266-K268 PolarHBondContact OD1-N 3.13Å; D266-K268 VanDerWaalsContact OD1-N 3.15Å; D266-D269 WeakPolarHBondContact CB-OD2 3.28Å; D266-D269 PolarHBondContact O-N 2.91Å
267K96.1Very high97.1Very high74 Ų7454.9 Ų54.932%0.32226%0.259SS..G310 helixtrans-56.3-29.5-177.274.7-168.3-174.4175.30113.5L222 D223 D269 V270L222-K267 WeakPolarHBondContact O-CD 3.3Å; L222-K267 WeakPolarHBondContact O-CE 3.31Å; L222-K267 PolarHBondContact O-NZ 2.82Å; D223-K267 PolarHBondContact O-N 3.05Å; K267-D269 PolarHBondContact O-N 3.41Å; K267-V270 PolarHBondContact O-N 3.39Å
268K96.5Very high97.1Very high160 Ų16054.4 Ų54.470%0.69626%0.255SS*.G310 helixtrans-68.4-22.1179.277-167.3177.4174.50112.9D266 V270D266-K268 HydrophobicContact CB-CG 4.2Å; D266-K268 PolarHBondContact O-N 3.37Å; D266-K268 WeakPolarHBondContact OD1-CD 3.49Å; D266-K268 VanDerWaalsContact OD1-CG 3.24Å; D266-K268 WeakPolarHBondContact OD1-CG 2.99Å; D266-K268 PolarHBondContact OD1-N 3.13Å; D266-K268 VanDerWaalsContact OD1-N 3.15Å; K268-V270 VanDerWaalsContact C-N 3.32Å
269D97.2Very high97Very high97 Ų9760.5 Ų60.552%0.51928%0.278SS..G310 helixtrans-92.32.9-177.8-56.2-39.5000111.7I265 D266 K267I265-D269 HydrophobicContact CG2-CB 4.01Å; D266-D269 WeakPolarHBondContact CB-OD2 3.28Å; D266-D269 PolarHBondContact O-N 2.91Å; K267-D269 PolarHBondContact O-N 3.41Å
270V97.6Very high97.1Very high7 Ų761.8 Ų61.84%0.04228%0.283CS..SBendtrans-99.8124.1178.3-176.50000109.5F215 I225 I265 K267 K268 E272 M277 W280F215-V270 HydrophobicContact CD1-CG1 4.49Å; F215-V270 HydrophobicContact CD2-CB 4.4Å; F215-V270 HydrophobicContact CD2-CG1 3.92Å; F215-V270 HydrophobicContact CE1-CB 4.45Å; F215-V270 HydrophobicContact CE1-CG1 4.21Å; F215-V270 HydrophobicContact CE2-CB 3.59Å; F215-V270 HydrophobicContact CE2-CG1 3.59Å; F215-V270 HydrophobicContact CE2-CG2 4.01Å; F215-V270 HydrophobicContact CG-CG1 4.35Å; F215-V270 HydrophobicContact CZ-CB 3.62Å; F215-V270 HydrophobicContact CZ-CG1 3.75Å; F215-V270 HydrophobicContact CZ-CG2 4.47Å; I225-V270 HydrophobicContact CB-CG2 4.48Å; I225-V270 HydrophobicContact CD1-CB 4.41Å; I225-V270 HydrophobicContact CD1-CG1 3.84Å; I225-V270 HydrophobicContact CD1-CG2 3.72Å; I225-V270 HydrophobicContact CG1-CG2 4.01Å; I265-V270 HydrophobicContact CG2-CG2 4Å; K267-V270 PolarHBondContact O-N 3.39Å; K268-V270 VanDerWaalsContact C-N 3.32Å; V270-E272 PolarHBondContact O-N 2.99Å; V270-M277 HydrophobicContact CG1-CE 4.32Å; V270-W280 HydrophobicContact CG1-CH2 4.21Å; V270-W280 HydrophobicContact CG1-CZ2 4.42Å; V270-W280 HydrophobicContact CG1-CZ3 4.27Å; V270-W280 HydrophobicContact CG2-CH2 4.26Å; V270-W280 HydrophobicContact CG2-CZ2 4.07Å
271P97.5Very high97Very high39 Ų3961.9 Ų61.925%0.25328%0.283SS..  trans-64.2133.2178.5-20.932.2000112.3H276 M277 W280P271-H276 HydrophobicContact CB-CB 3.78Å; P271-M277 WeakPolarHBondContact O-CE 3.45Å; P271-W280 HydrophobicContact CG-CB 3.81Å; P271-W280 HydrophobicContact CG-CG 3.91Å
272E95.6Very high97Very high115 Ų11560.4 Ų60.454%0.53728%0.277SS..  trans-78-38178.6-58.6-158.6-170.400112.9F215 K219 V270F215-E272 HydrophobicContact CE1-CG 4.23Å; K219-E272 IonicContact NZ-OE2 2.61Å; K219-E272 PolarHBondContact NZ-OE2 2.98Å; V270-E272 PolarHBondContact O-N 2.99Å
273E96Very high97Very high112 Ų11265.1 Ų65.152%0.52330%0.298SS..SBendtrans-71.5132.5-176-165.7-154.6147.600111.5E275 H276 M277E273-E275 PolarHBondContact O-N 2.8Å; E273-H276 HydrophobicContact CB-CB 4.44Å; E273-H276 PolarHBondContact O-N 2.72Å; E273-H276 VanDerWaalsContact O-N 3.14Å; E273-H276 IonicContact OE2-CE1 3.42Å; E273-H276 PolarHBondContact OE2-CE1 2.96Å; E273-H276 IonicContact OE2-CG 3.35Å; E273-H276 IonicContact OE2-ND1 3.89Å; E273-H276 PolarHBondContact OE2-ND1 2.73Å; E273-H276 IonicContact OE2-NE2 2.73Å; E273-M277 WeakPolarHBondContact O-CB 3.48Å; E273-M277 PolarHBondContact O-N 2.7Å
274Q95.1Very high97.1Very high77 Ų7763.8 Ų63.836%0.3629%0.289SS..Hα-helixtrans-52.7-43.6-172.7-165.1-176.5-74.700114.8I208 H212 R278I208-Q274 HydrophobicContact CG1-CG 4.41Å; H212-Q274 HydrophobicContact CB-CG 4.36Å; Q274-R278 WeakPolarHBondContact O-CB 3.31Å; Q274-R278 PolarHBondContact O-N 2.73Å
275E94.5Very high97.1Very high74 Ų7460 Ų6035%0.34628%0.275SS..Hα-helixtrans-73.3-36.6-178.6-75.9-54.4138.700112.7E273 R278 R279E273-E275 PolarHBondContact O-N 2.8Å; E275-R278 WeakPolarHBondContact O-CB 3.37Å; E275-R278 PolarHBondContact O-N 2.66Å; E275-R278 IonicContact OE2-CZ 2.84Å; E275-R278 IonicContact OE2-NE 3.3Å; E275-R278 PolarHBondContact OE2-NE 3.17Å; E275-R278 IonicContact OE2-NH2 2.77Å; E275-R279 PolarHBondContact O-N 3.38Å
276H97.2Very high97.2Very high90 Ų9063 Ų6342%0.41729%0.288SS..Hα-helixtrans-65.5-43.6171.6-67.2142.9000111.2P271 E273 R278 R279 W280P271-H276 HydrophobicContact CB-CB 3.78Å; E273-H276 HydrophobicContact CB-CB 4.44Å; E273-H276 PolarHBondContact O-N 2.72Å; E273-H276 VanDerWaalsContact O-N 3.14Å; E273-H276 IonicContact OE2-CE1 3.42Å; E273-H276 PolarHBondContact OE2-CE1 2.96Å; E273-H276 IonicContact OE2-CG 3.35Å; E273-H276 IonicContact OE2-ND1 3.89Å; E273-H276 PolarHBondContact OE2-ND1 2.73Å; E273-H276 IonicContact OE2-NE2 2.73Å; H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 2.95Å; H276-R279 PolarHBondContact O-N 3.36Å; H276-W280 WeakPolarHBondContact O-CB 3.39Å; H276-W280 PolarHBondContact O-N 3.23Å
277M97.9Very high97.2Very high0 Ų064.5 Ų64.50%030%0.296CS..Hα-helixtrans-63.6-33.6175-164.4-168.8-71.400111.8I208 T211 H212 F215 V270 P271 E273 W280 L281I208-M277 HydrophobicContact CD1-CB 4.04Å; I208-M277 HydrophobicContact CD1-CG 3.74Å; I208-M277 HydrophobicContact CD1-SD 3.83Å; T211-M277 HydrophobicContact CG2-SD 4.25Å; H212-M277 VanDerWaalsContact CA-SD 3.52Å; H212-M277 HydrophobicContact CB-SD 3.87Å; F215-M277 HydrophobicContact CB-CE 3.86Å; F215-M277 HydrophobicContact CD1-CE 3.5Å; F215-M277 VanDerWaalsContact CD1-CE 3.5Å; F215-M277 HydrophobicContact CE1-CE 4.26Å; F215-M277 HydrophobicContact CG-CE 3.8Å; V270-M277 HydrophobicContact CG1-CE 4.32Å; P271-M277 WeakPolarHBondContact O-CE 3.45Å; E273-M277 WeakPolarHBondContact O-CB 3.48Å; E273-M277 PolarHBondContact O-N 2.7Å; M277-W280 HydrophobicContact CG-CE3 4.22Å; M277-L281 WeakPolarHBondContact O-CB 3.2Å; M277-L281 PolarHBondContact O-N 2.96Å
278R96.7Very high97.4Very high58 Ų5861 Ų6122%0.21928%0.281CS..Hα-helixtrans-61.5-46.1175.1-173.2176.781.394.30.5111.7I208 Q274 E275 H276 H282I208-R278 HydrophobicContact CB-CB 4.32Å; I208-R278 HydrophobicContact CB-CG 4.27Å; I208-R278 HydrophobicContact CG1-CB 4.08Å; I208-R278 HydrophobicContact CG2-CG 4.29Å; Q274-R278 WeakPolarHBondContact O-CB 3.31Å; Q274-R278 PolarHBondContact O-N 2.73Å; E275-R278 WeakPolarHBondContact O-CB 3.37Å; E275-R278 PolarHBondContact O-N 2.66Å; E275-R278 IonicContact OE2-CZ 2.84Å; E275-R278 IonicContact OE2-NE 3.3Å; E275-R278 PolarHBondContact OE2-NE 3.17Å; E275-R278 IonicContact OE2-NH2 2.77Å; H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 2.95Å; R278-H282 PolarHBondContact O-N 2.88Å; R278-H282 VanDerWaalsContact O-N 3.14Å
279R96.7Very high97.4Very high129 Ų12953.9 Ų53.949%0.48725%0.25SC..Hα-helixtrans-66.5-50.2177-66.2-177.6-164.2139.56.7110.8E275 H276 L281 H282 E283E275-R279 PolarHBondContact O-N 3.38Å; H276-R279 PolarHBondContact O-N 3.36Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.8Å; R279-H282 WeakPolarHBondContact O-CA 3.33Å; R279-H282 WeakPolarHBondContact O-CB 3.07Å; R279-H282 PolarHBondContact O-N 3.32Å; R279-E283 WeakPolarHBondContact O-CG 3.36Å; R279-E283 PolarHBondContact O-N 3.43Å
280W98.2Very high97.5Very high29 Ų2955.6 Ų55.611%0.1125%0.253CS..Hα-helixtrans-54.6-45.5176.7172.490.7000112.3L90 I225 I265 V270 P271 H276 M277 H282 E283 R284L90-W280 HydrophobicContact CD1-CH2 4.44Å; L90-W280 HydrophobicContact CD1-CZ3 4.34Å; I225-W280 HydrophobicContact CD1-CH2 3.92Å; I225-W280 HydrophobicContact CD1-CZ3 4.38Å; I225-W280 HydrophobicContact CG2-CH2 4.39Å; I265-W280 HydrophobicContact CD1-CH2 4.16Å; I265-W280 HydrophobicContact CD1-CZ2 3.57Å; I265-W280 HydrophobicContact CG2-CZ2 4.17Å; V270-W280 HydrophobicContact CG1-CH2 4.21Å; V270-W280 HydrophobicContact CG1-CZ2 4.42Å; V270-W280 HydrophobicContact CG1-CZ3 4.27Å; V270-W280 HydrophobicContact CG2-CH2 4.26Å; V270-W280 HydrophobicContact CG2-CZ2 4.07Å; P271-W280 HydrophobicContact CG-CB 3.81Å; P271-W280 HydrophobicContact CG-CG 3.91Å; H276-W280 WeakPolarHBondContact O-CB 3.39Å; H276-W280 PolarHBondContact O-N 3.23Å; M277-W280 HydrophobicContact CG-CE3 4.22Å; W280-H282 VanDerWaalsContact C-N 3.31Å; W280-H282 PolarHBondContact O-N 3.09Å; W280-E283 WeakPolarHBondContact O-CB 3.41Å; W280-E283 PolarHBondContact O-N 2.95Å; W280-R284 HydrophobicContact CD2-CG 4.11Å; W280-R284 HydrophobicContact CE3-CG 4.32Å; W280-R284 HydrophobicContact CH2-CG 4.07Å; W280-R284 HydrophobicContact CZ2-CG 3.88Å; W280-R284 HydrophobicContact CZ3-CG 4.29Å; W280-R284 WeakPolarHBondContact O-CG 3.48Å; W280-R284 PolarHBondContact O-N 2.78Å
281L98.5Very high97.4Very high2 Ų256 Ų561%0.0126%0.255CS..Hα-helixtrans-64.6-37178.2-17961.9000111.6L90 P172 P206 I208 T211 M277 R279 R284 F285L90-L281 HydrophobicContact CD1-CD1 3.85Å; P172-L281 HydrophobicContact CB-CD2 4.3Å; P172-L281 HydrophobicContact CG-CD1 4.35Å; P206-L281 HydrophobicContact CB-CD2 4Å; P206-L281 HydrophobicContact CB-CG 3.9Å; P206-L281 HydrophobicContact CG-CD2 4.43Å; P206-L281 HydrophobicContact CG-CG 3.95Å; I208-L281 HydrophobicContact CD1-CB 4.27Å; I208-L281 HydrophobicContact CD1-CD2 3.76Å; T211-L281 HydrophobicContact CG2-CD2 4.38Å; M277-L281 WeakPolarHBondContact O-CB 3.2Å; M277-L281 PolarHBondContact O-N 2.96Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.8Å; L281-R284 PolarHBondContact O-N 3.14Å; L281-F285 HydrophobicContact CD1-CD2 4.22Å; L281-F285 HydrophobicContact CD1-CE2 4.05Å; L281-F285 WeakPolarHBondContact O-CD2 3.35Å; L281-F285 PolarHBondContact O-N 3.46Å
282H98.3Very high97.4Very high5 Ų554.2 Ų54.22%0.02324%0.243CC..Hα-helixtrans-66.4-43.7174.6-166.885.3000111.3A198 R278 R279 W280 R284 F285 E286A198-H282 PolarHBondContact N-NE2 2.9Å; A198-H282 PolarHBondContact O-CE1 2.63Å; A198-H282 PolarHBondContact O-NE2 3.41Å; R278-H282 PolarHBondContact O-N 2.88Å; R278-H282 VanDerWaalsContact O-N 3.14Å; R279-H282 WeakPolarHBondContact O-CA 3.33Å; R279-H282 WeakPolarHBondContact O-CB 3.07Å; R279-H282 PolarHBondContact O-N 3.32Å; W280-H282 VanDerWaalsContact C-N 3.31Å; W280-H282 PolarHBondContact O-N 3.09Å; H282-R284 VanDerWaalsContact C-N 3.33Å; H282-R284 PolarHBondContact O-N 3.25Å; H282-F285 CarbonylContact O-C 3.53Å; H282-F285 WeakPolarHBondContact O-CA 3.42Å; H282-F285 WeakPolarHBondContact O-CB 3.22Å; H282-F285 PolarHBondContact O-N 3.19Å; H282-E286 IonicContact CD2-OE1 3.05Å; H282-E286 PolarHBondContact CD2-OE1 2.78Å; H282-E286 IonicContact NE2-OE1 3.32Å; H282-E286 PolarHBondContact O-N 3.13Å
283E98.3Very high97.3Very high102 Ų10251.6 Ų51.648%0.47723%0.232SC..Hα-helixtrans-60.1-39.8174.2-69.3165.2-170.200111.9R279 W280 F285 E286 I287R279-E283 WeakPolarHBondContact O-CG 3.36Å; R279-E283 PolarHBondContact O-N 3.43Å; W280-E283 WeakPolarHBondContact O-CB 3.41Å; W280-E283 PolarHBondContact O-N 2.95Å; E283-F285 VanDerWaalsContact C-N 3.25Å; E283-F285 PolarHBondContact O-N 2.82Å; E283-E286 WeakPolarHBondContact O-CB 3.36Å; E283-E286 PolarHBondContact O-N 2.89Å; E283-E286 VanDerWaalsContact O-N 3.13Å; E283-I287 WeakPolarHBondContact O-CG1 3.46Å; E283-I287 PolarHBondContact O-N 2.86Å
284R98.5Very high97.2Very high31 Ų3148.8 Ų48.812%0.11722%0.219CC..Hα-helixtrans-57.1-42.1171.6-67.1-43.8-55-168.6-2.8111.2D227 D263 I265 W280 L281 H282 I287 K288D227-R284 IonicContact OD2-CZ 2.97Å; D227-R284 IonicContact OD2-NE 3.74Å; D227-R284 PolarHBondContact OD2-NE 3.27Å; D227-R284 IonicContact OD2-NH2 3.78Å; D227-R284 PolarHBondContact OD2-NH2 3.18Å; D263-R284 IonicContact OD2-CZ 2.98Å; D263-R284 VanDerWaalsContact OD2-CZ 3.24Å; D263-R284 IonicContact OD2-NH1 3.63Å; D263-R284 PolarHBondContact OD2-NH1 3.46Å; D263-R284 IonicContact OD2-NH2 2.72Å; D263-R284 PolarHBondContact OD2-NH2 2.88Å; I265-R284 HydrophobicContact CD1-CG 4.49Å; W280-R284 HydrophobicContact CD2-CG 4.11Å; W280-R284 HydrophobicContact CE3-CG 4.32Å; W280-R284 HydrophobicContact CH2-CG 4.07Å; W280-R284 HydrophobicContact CZ2-CG 3.88Å; W280-R284 HydrophobicContact CZ3-CG 4.29Å; W280-R284 WeakPolarHBondContact O-CG 3.48Å; W280-R284 PolarHBondContact O-N 2.78Å; L281-R284 PolarHBondContact O-N 3.14Å; H282-R284 VanDerWaalsContact C-N 3.33Å; H282-R284 PolarHBondContact O-N 3.25Å; R284-I287 WeakPolarHBondContact O-CB 3.35Å; R284-I287 PolarHBondContact O-N 2.73Å; R284-K288 WeakPolarHBondContact O-CG 3.35Å; R284-K288 PolarHBondContact O-N 3.49Å; R284-K288 VanDerWaalsContact O-N 3.16Å
285F98.7Very high97.2Very high0 Ų045.3 Ų45.30%020%0.203CC..Hα-helixtrans-72.2-28.3176.7-88-108.9000113.5P172 E173 L200 V203 P206 L281 H282 E283 I287 K288 D289P172-F285 HydrophobicContact CB-CE2 4.05Å; P172-F285 HydrophobicContact CB-CZ 3.94Å; P172-F285 HydrophobicContact CG-CE2 3.97Å; P172-F285 HydrophobicContact CG-CZ 3.99Å; E173-F285 HydrophobicContact CG-CD1 4.39Å; E173-F285 HydrophobicContact CG-CE1 3.52Å; E173-F285 HydrophobicContact CG-CZ 4.22Å; L200-F285 HydrophobicContact CD1-CB 3.95Å; V203-F285 HydrophobicContact CB-CD1 4.08Å; V203-F285 HydrophobicContact CG2-CB 4.49Å; V203-F285 HydrophobicContact CG2-CD1 3.96Å; P206-F285 HydrophobicContact CB-CD1 4.19Å; P206-F285 HydrophobicContact CB-CD2 3.71Å; P206-F285 HydrophobicContact CB-CE1 4.23Å; P206-F285 HydrophobicContact CB-CE2 3.73Å; P206-F285 HydrophobicContact CB-CG 3.95Å; P206-F285 HydrophobicContact CB-CZ 4.01Å; P206-F285 HydrophobicContact CG-CB 3.96Å; P206-F285 HydrophobicContact CG-CD1 4.2Å; P206-F285 HydrophobicContact CG-CD2 3.64Å; P206-F285 HydrophobicContact CG-CE2 4.2Å; P206-F285 HydrophobicContact CG-CG 3.64Å; L281-F285 HydrophobicContact CD1-CD2 4.22Å; L281-F285 HydrophobicContact CD1-CE2 4.05Å; L281-F285 WeakPolarHBondContact O-CD2 3.35Å; L281-F285 PolarHBondContact O-N 3.46Å; H282-F285 CarbonylContact O-C 3.53Å; H282-F285 WeakPolarHBondContact O-CA 3.42Å; H282-F285 WeakPolarHBondContact O-CB 3.22Å; H282-F285 PolarHBondContact O-N 3.19Å; E283-F285 VanDerWaalsContact C-N 3.25Å; E283-F285 PolarHBondContact O-N 2.82Å; F285-I287 VanDerWaalsContact C-N 3.35Å; F285-K288 HydrophobicContact CD1-CD 4.47Å; F285-K288 HydrophobicContact CE1-CD 4.44Å; F285-K288 HydrophobicContact CZ-CD 4.48Å; F285-K288 WeakPolarHBondContact O-CB 3.33Å; F285-K288 PolarHBondContact O-N 3.18Å; F285-D289 WeakPolarHBondContact O-CB 3.49Å; F285-D289 PolarHBondContact O-N 3.46Å
286E98.6Very high97.1Very high77 Ų7742.8 Ų42.836%0.3619%0.19SC..Hα-helixtrans-62.5-41.7168.6-68.8177.8-14400111.6A198 L200 H282 E283 K288 D289 K290A198-E286 HydrophobicContact CB-CG 3.81Å; A198-E286 VanDerWaalsContact CB-OE1 3.27Å; A198-E286 WeakPolarHBondContact CB-OE1 3.16Å; L200-E286 HydrophobicContact CD2-CB 4.41Å; L200-E286 HydrophobicContact CD2-CG 3.75Å; H282-E286 IonicContact CD2-OE1 3.05Å; H282-E286 PolarHBondContact CD2-OE1 2.78Å; H282-E286 IonicContact NE2-OE1 3.32Å; H282-E286 PolarHBondContact O-N 3.13Å; E283-E286 WeakPolarHBondContact O-CB 3.36Å; E283-E286 PolarHBondContact O-N 2.89Å; E283-E286 VanDerWaalsContact O-N 3.13Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 2.94Å; E286-D289 PolarHBondContact O-N 3.33Å; E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 2.76Å
287I98.4Very high96.8Very high77 Ų7742.3 Ų42.340%0.39519%0.188SC..Hα-helixtrans-61.7-43.5175-62.7166.1000110.3E283 R284 F285 K290 M291E283-I287 WeakPolarHBondContact O-CG1 3.46Å; E283-I287 PolarHBondContact O-N 2.86Å; R284-I287 WeakPolarHBondContact O-CB 3.35Å; R284-I287 PolarHBondContact O-N 2.73Å; F285-I287 VanDerWaalsContact C-N 3.35Å; I287-K290 PolarHBondContact O-N 3.05Å; I287-M291 HydrophobicContact CG2-CE 4.15Å; I287-M291 WeakPolarHBondContact O-CG 3.45Å; I287-M291 PolarHBondContact O-N 3.25Å
288K98.4Very high96.4Very high0 Ų042.7 Ų42.70%019%0.19CC..Hα-helixtrans-59.8-47.6173.7-56.6-167.3-176.1-61.80111.6N92 V203 D227 V228 T229 R284 F285 E286 K290 M291 L292N92-K288 HydrophobicContact CB-CD 4.2Å; V203-K288 HydrophobicContact CG1-CB 4.47Å; D227-K288 WeakPolarHBondContact OD1-CE 3.34Å; D227-K288 IonicContact OD1-NZ 3.53Å; D227-K288 PolarHBondContact OD1-NZ 3.01Å; D227-K288 IonicContact OD2-NZ 2.78Å; D227-K288 PolarHBondContact OD2-NZ 3.11Å; V228-K288 WeakPolarHBondContact O-CE 3.32Å; V228-K288 PolarHBondContact O-NZ 2.72Å; T229-K288 HydrophobicContact CG2-CB 4.13Å; T229-K288 HydrophobicContact CG2-CG 4.37Å; T229-K288 WeakPolarHBondContact OG1-CG 3.49Å; T229-K288 PolarHBondContact OG1-NZ 2.91Å; T229-K288 VanDerWaalsContact OG1-NZ 3.16Å; R284-K288 WeakPolarHBondContact O-CG 3.35Å; R284-K288 PolarHBondContact O-N 3.49Å; R284-K288 VanDerWaalsContact O-N 3.16Å; F285-K288 HydrophobicContact CD1-CD 4.47Å; F285-K288 HydrophobicContact CE1-CD 4.44Å; F285-K288 HydrophobicContact CZ-CD 4.48Å; F285-K288 WeakPolarHBondContact O-CB 3.33Å; F285-K288 PolarHBondContact O-N 3.18Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 2.94Å; K288-K290 VanDerWaalsContact C-N 3.33Å; K288-K290 PolarHBondContact O-N 2.92Å; K288-M291 PolarHBondContact O-N 3.24Å; K288-L292 VanDerWaalsContact O-CG 3.23Å; K288-L292 WeakPolarHBondContact O-CG 3.16Å; K288-L292 PolarHBondContact O-N 3.31Å
289D98.3Very high96Very high10 Ų1045.6 Ų45.65%0.05322%0.217CC..Hα-helixtrans-59.8-46.3-177.9-157.961.9000110.7L200 K201 H202 V203 F285 E286 M291 L292 I293L200-D289 HydrophobicContact CB-CB 4.46Å; L200-D289 HydrophobicContact CD2-CB 4.05Å; K201-D289 PolarHBondContact N-OD1 2.81Å; K201-D289 PolarHBondContact N-OD2 3.23Å; H202-D289 WeakPolarHBondContact CA-OD1 3.32Å; H202-D289 PolarHBondContact N-OD1 3.43Å; V203-D289 HydrophobicContact CG2-CB 3.89Å; V203-D289 PolarHBondContact N-OD1 3.26Å; V203-D289 VanDerWaalsContact N-OD1 3.14Å; F285-D289 WeakPolarHBondContact O-CB 3.49Å; F285-D289 PolarHBondContact O-N 3.46Å; E286-D289 PolarHBondContact O-N 3.33Å; D289-M291 PolarHBondContact O-N 2.8Å; D289-L292 CarbonylContact O-C 3.59Å; D289-L292 PolarHBondContact O-N 3.08Å; D289-L292 VanDerWaalsContact O-N 3.12Å; D289-I293 VanDerWaalsContact O-CG1 3.29Å; D289-I293 WeakPolarHBondContact O-CG1 3.34Å; D289-I293 PolarHBondContact O-N 3.11Å
290K97.7Very high95.7Very high134 Ų13442.4 Ų42.458%0.58321%0.209SC*.Hα-helixtrans-58.9-46.2175.6-173.9-179.1177.7-177.30112.3E286 I287 K288 L292 I293 E294E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 2.76Å; I287-K290 PolarHBondContact O-N 3.05Å; K288-K290 VanDerWaalsContact C-N 3.33Å; K288-K290 PolarHBondContact O-N 2.92Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 3.43Å; K290-I293 PolarHBondContact O-N 3.14Å; K290-E294 WeakPolarHBondContact CE-OE1 3.24Å; K290-E294 PolarHBondContact O-N 3.35Å
291M96.7Very high95.2Very high16 Ų1645.3 Ų45.38%0.07923%0.232CC..Hα-helixtrans-60.3-37.6175.9-75.6-169.7-67.800112T229 H261 I287 K288 D289 F295 F307 P308T229-M291 HydrophobicContact CG2-CE 4.25Å; T229-M291 VanDerWaalsContact OG1-CE 3.28Å; T229-M291 WeakPolarHBondContact OG1-CE 2.93Å; H261-M291 HydrophobicContact CB-SD 4.36Å; I287-M291 HydrophobicContact CG2-CE 4.15Å; I287-M291 WeakPolarHBondContact O-CG 3.45Å; I287-M291 PolarHBondContact O-N 3.25Å; K288-M291 PolarHBondContact O-N 3.24Å; D289-M291 PolarHBondContact O-N 2.8Å; M291-F295 VanDerWaalsContact O-CB 3.3Å; M291-F295 WeakPolarHBondContact O-CB 3.44Å; M291-F295 PolarHBondContact O-N 2.9Å; M291-F307 HydrophobicContact CB-CD1 3.96Å; M291-F307 HydrophobicContact CB-CE1 4.06Å; M291-F307 HydrophobicContact SD-CD1 4.42Å; M291-P308 HydrophobicContact CG-CG 4.46Å
292L96Very high94.6Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-73.7-38178.1-65.1165.3000112.1H202 V203 T229 V231 K288 D289 K290 E294 F295 Y296 F307H202-L292 HydrophobicContact CB-CB 3.54Å; H202-L292 HydrophobicContact CB-CD1 3.93Å; H202-L292 HydrophobicContact CB-CG 4.37Å; V203-L292 HydrophobicContact CG1-CD1 3.51Å; T229-L292 HydrophobicContact CG2-CD1 4.44Å; T229-L292 HydrophobicContact CG2-CD2 4.24Å; T229-L292 HydrophobicContact CG2-CG 4.24Å; V231-L292 HydrophobicContact CG2-CD2 3.18Å; K288-L292 VanDerWaalsContact O-CG 3.23Å; K288-L292 WeakPolarHBondContact O-CG 3.16Å; K288-L292 PolarHBondContact O-N 3.31Å; D289-L292 CarbonylContact O-C 3.59Å; D289-L292 PolarHBondContact O-N 3.08Å; D289-L292 VanDerWaalsContact O-N 3.12Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 3.43Å; L292-E294 VanDerWaalsContact C-N 3.34Å; L292-F295 PolarHBondContact O-N 3.37Å; L292-Y296 HydrophobicContact CB-CD2 4.32Å; L292-Y296 HydrophobicContact CB-CE2 4.25Å; L292-Y296 HydrophobicContact CD2-CE2 3.93Å; L292-Y296 WeakPolarHBondContact O-CD2 3.2Å; L292-Y296 PolarHBondContact O-N 2.81Å; L292-F307 HydrophobicContact CD2-CE1 4.35Å
293I94.7Very high94.1Very high61 Ų6157.8 Ų57.831%0.31329%0.285SS..Hα-helixtrans-57.3-49.8171.5-68.8165.8000109.5D289 K290 F295 Y296 E297D289-I293 VanDerWaalsContact O-CG1 3.29Å; D289-I293 WeakPolarHBondContact O-CG1 3.34Å; D289-I293 PolarHBondContact O-N 3.11Å; K290-I293 PolarHBondContact O-N 3.14Å; I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 PolarHBondContact O-N 3.33Å; I293-Y296 PolarHBondContact O-N 2.87Å; I293-E297 WeakPolarHBondContact O-CA 3.37Å; I293-E297 WeakPolarHBondContact O-CB 2.99Å; I293-E297 PolarHBondContact O-N 2.84Å
294E93.8Very high93.7Very high52 Ų5258.1 Ų58.124%0.24328%0.282CS..Hα-helixtrans-62-42.3177.4-70.5179.6-16500111.6K290 L292 Y296 S298K290-E294 WeakPolarHBondContact CE-OE1 3.24Å; K290-E294 PolarHBondContact O-N 3.35Å; L292-E294 VanDerWaalsContact C-N 3.34Å; E294-Y296 PolarHBondContact O-N 3.45Å; E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 2.97Å
295F94.1Very high93.3Very high5 Ų561.2 Ų61.22%0.02230%0.296CS..Hα-helixtrans-60.5-45-179.6-168.9-77.7000112.8V231 H259 M291 L292 I293 R304 K305 F307V231-F295 HydrophobicContact CB-CE1 4.28Å; V231-F295 HydrophobicContact CB-CE2 4.25Å; V231-F295 HydrophobicContact CB-CZ 4.07Å; V231-F295 HydrophobicContact CG1-CD1 3.9Å; V231-F295 HydrophobicContact CG1-CE1 3.33Å; V231-F295 HydrophobicContact CG1-CE2 4.1Å; V231-F295 HydrophobicContact CG1-CZ 3.43Å; V231-F295 VanDerWaalsContact CG1-CZ 3.43Å; V231-F295 HydrophobicContact CG2-CD1 4.41Å; V231-F295 HydrophobicContact CG2-CD2 4.44Å; V231-F295 HydrophobicContact CG2-CG 4.37Å; H259-F295 HydrophobicContact CB-CE2 4.05Å; H259-F295 AromaticContact CD2-CE2 3.9Å; H259-F295 AromaticContact CD2-CZ 3.73Å; H259-F295 AromaticContact CG-CE2 3.65Å; H259-F295 AromaticContact CG-CZ 3.98Å; H259-F295 AromaticContact ND1-CE2 3.79Å; H259-F295 AromaticContact NE2-CZ 3.96Å; M291-F295 VanDerWaalsContact O-CB 3.3Å; M291-F295 WeakPolarHBondContact O-CB 3.44Å; M291-F295 PolarHBondContact O-N 2.9Å; L292-F295 PolarHBondContact O-N 3.37Å; I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 PolarHBondContact O-N 3.33Å; F295-R304 WeakPolarHBondContact O-CA 3.25Å; F295-K305 HydrophobicContact CE1-CB 4.33Å; F295-K305 HydrophobicContact CE1-CG 4.37Å; F295-K305 VanDerWaalsContact CZ-CA 3.42Å; F295-K305 HydrophobicContact CZ-CB 4.18Å; F295-K305 PolarHBondContact O-N 2.86Å; F295-F307 HydrophobicContact CD2-CD1 4.05Å; F295-F307 HydrophobicContact CD2-CE1 4.04Å
296Y92.4Very high93Very high20 Ų2066.7 Ų66.78%0.07832%0.317CS..Hα-helixtrans-93.4-33.9-174.5-64.7-64.4000113.8H202 V231 R241 L292 I293 E294H202-Y296 AromaticContact CE1-CD2 3.87Å; H202-Y296 AromaticContact ND1-CD2 3.79Å; V231-Y296 HydrophobicContact CG1-CE1 4.26Å; V231-Y296 VanDerWaalsContact CG1-OH 3.26Å; V231-Y296 WeakPolarHBondContact CG1-OH 3.44Å; V231-Y296 HydrophobicContact CG2-CE2 4.39Å; R241-Y296 HydrophobicContact CB-CD1 3.96Å; R241-Y296 HydrophobicContact CB-CD2 4.35Å; R241-Y296 HydrophobicContact CB-CE1 4.16Å; R241-Y296 HydrophobicContact CB-CG 4.07Å; R241-Y296 HydrophobicContact CG-CD1 4.11Å; R241-Y296 HydrophobicContact CG-CD2 4.25Å; R241-Y296 HydrophobicContact CG-CE1 3.8Å; R241-Y296 HydrophobicContact CG-CE2 3.98Å; R241-Y296 HydrophobicContact CG-CG 4.33Å; R241-Y296 PolarHBondContact NE-OH 2.84Å; L292-Y296 HydrophobicContact CB-CD2 4.32Å; L292-Y296 HydrophobicContact CB-CE2 4.25Å; L292-Y296 HydrophobicContact CD2-CE2 3.93Å; L292-Y296 WeakPolarHBondContact O-CD2 3.2Å; L292-Y296 PolarHBondContact O-N 2.81Å; I293-Y296 PolarHBondContact O-N 2.87Å; E294-Y296 PolarHBondContact O-N 3.45Å
297E91.4Very high92.9Very high80 Ų8063.1 Ų63.137%0.37430%0.3SS..Hα-helixtrans-124.14-163.7-56.5178.8-161.200114.1K201 H202 I293K201-E297 WeakPolarHBondContact CE-OE1 3.48Å; K201-E297 IonicContact NZ-OE1 3.24Å; K201-E297 PolarHBondContact NZ-OE1 3.14Å; K201-E297 IonicContact NZ-OE2 2.67Å; K201-E297 PolarHBondContact NZ-OE2 3.2Å; H202-E297 IonicContact CD2-OE1 2.64Å; H202-E297 IonicContact CE1-OE1 2.66Å; H202-E297 PolarHBondContact CE1-OE1 2.65Å; H202-E297 IonicContact NE2-OE1 3.19Å; H202-E297 PolarHBondContact NE2-OE1 2.93Å; I293-E297 WeakPolarHBondContact O-CA 3.37Å; I293-E297 WeakPolarHBondContact O-CB 2.99Å; I293-E297 PolarHBondContact O-N 2.84Å
298S90.8Very high92.7Very high8 Ų862.6 Ų62.66%0.05630%0.301CS..  trans-54131.4-178.8170.60000111.9E294 D300 R303 R304E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 2.97Å; S298-D300 PolarHBondContact O-N 2.81Å; S298-D300 PolarHBondContact OG-N 3.43Å; S298-D300 VanDerWaalsContact OG-N 3.13Å; S298-D300 PolarHBondContact OG-O 3.37Å; S298-R303 WeakPolarHBondContact OG-CB 3.36Å; S298-R304 PolarHBondContact O-NE 2.83Å; S298-R304 PolarHBondContact O-NH2 2.88Å
299P88Confident92.4Very high120 Ų12065.4 Ų65.478%0.77933%0.33SS*.SBendtrans-64.8-33.4173.126.5-33.1000111.5P301P299-P301 VanDerWaalsContact O-CD 3.28Å; P299-P301 WeakPolarHBondContact O-CD 2.89Å
300D90.5Very high92.2Very high61 Ų6173.7 Ų73.733%0.32637%0.366SS..SBendtrans-75.21121731792.3000109.9S298 E302 R303S298-D300 PolarHBondContact O-N 2.81Å; S298-D300 PolarHBondContact OG-N 3.43Å; S298-D300 VanDerWaalsContact OG-N 3.13Å; S298-D300 PolarHBondContact OG-O 3.37Å; D300-E302 PolarHBondContact O-N 2.9Å; D300-E302 WeakPolarHBondContact OD1-CB 2.96Å; D300-E302 PolarHBondContact OD1-N 2.94Å; D300-R303 HydrophobicContact CB-CB 4.43Å; D300-R303 HydrophobicContact CB-CG 4.22Å; D300-R303 PolarHBondContact O-N 2.97Å; D300-R303 WeakPolarHBondContact OD2-CG 3.49Å; D300-R303 IonicContact OD2-NE 3.16Å; D300-R303 PolarHBondContact OD2-NE 2.64Å; D300-R303 VanDerWaalsContact OD2-NE 3.16Å
301P86.3Confident92.1Very high91 Ų9169.4 Ų69.459%0.59135%0.353SS*.G310 helixtrans-60-29.9-179.7-22.634.8000113.2P299 R303 R304P299-P301 VanDerWaalsContact O-CD 3.28Å; P299-P301 WeakPolarHBondContact O-CD 2.89Å; P301-R303 PolarHBondContact O-N 3.17Å; P301-R304 PolarHBondContact O-N 3.37Å
302E86.1Confident92.1Very high138 Ų13873 Ų7365%0.64538%0.376SS*.G310 helixtrans-68.1-18.7178.4-70-67.3142.700112.2D300 R306D300-E302 PolarHBondContact O-N 2.9Å; D300-E302 WeakPolarHBondContact OD1-CB 2.96Å; D300-E302 PolarHBondContact OD1-N 2.94Å; E302-R306 WeakPolarHBondContact O-CD 3.27Å; E302-R306 VanDerWaalsContact O-CZ 3.24Å; E302-R306 PolarHBondContact O-NE 2.88Å; E302-R306 PolarHBondContact O-NH2 2.92Å
303R87.9Confident92.1Very high131 Ų13177 Ų7749%0.49440%0.397SS..G310 helixtrans-96.2-13.8176.6-65.6178.2-167-155.1-2.6113.2S298 D300 P301S298-R303 WeakPolarHBondContact OG-CB 3.36Å; D300-R303 HydrophobicContact CB-CB 4.43Å; D300-R303 HydrophobicContact CB-CG 4.22Å; D300-R303 PolarHBondContact O-N 2.97Å; D300-R303 WeakPolarHBondContact OD2-CG 3.49Å; D300-R303 IonicContact OD2-NE 3.16Å; D300-R303 PolarHBondContact OD2-NE 2.64Å; D300-R303 VanDerWaalsContact OD2-NE 3.16Å; P301-R303 PolarHBondContact O-N 3.17Å
304R89.7Confident92.2Very high108 Ų10875.5 Ų75.541%0.40839%0.392SS..THydrogen-bonded Turntrans-68.5151.7174.5-64.2-174.5-160.8164.28.7110.3F295 S298 P301 R306F295-R304 WeakPolarHBondContact O-CA 3.25Å; S298-R304 PolarHBondContact O-NE 2.83Å; S298-R304 PolarHBondContact O-NH2 2.88Å; P301-R304 PolarHBondContact O-N 3.37Å; R304-R306 PolarHBondContact O-N 2.87Å; R304-R306 VanDerWaalsContact O-N 3.12Å
305K90.6Very high92.3Very high96 Ų9681.5 Ų81.542%0.41742%0.417SS..THydrogen-bonded Turntrans56.625.4176.2-56.6-170.7178.1-156.70115.2D236 H259 F295D236-K305 IonicContact OD1-NZ 2.83Å; D236-K305 WeakPolarHBondContact OD2-CE 3.34Å; D236-K305 IonicContact OD2-NZ 3.2Å; D236-K305 PolarHBondContact OD2-NZ 3.49Å; H259-K305 PolarHBondContact CE1-O 3.38Å; F295-K305 HydrophobicContact CE1-CB 4.33Å; F295-K305 HydrophobicContact CE1-CG 4.37Å; F295-K305 VanDerWaalsContact CZ-CA 3.42Å; F295-K305 HydrophobicContact CZ-CB 4.18Å; F295-K305 PolarHBondContact O-N 2.86Å
306R93.6Very high92.4Very high116 Ų11681.6 Ų81.644%0.43842%0.418SS..SBendtrans-150149.2168.965.1174.7-170.5157.8-7110.6Y77 E302 R304Y77-R306 HydrophobicContact CE1-CB 4.36Å; E302-R306 WeakPolarHBondContact O-CD 3.27Å; E302-R306 VanDerWaalsContact O-CZ 3.24Å; E302-R306 PolarHBondContact O-NE 2.88Å; E302-R306 PolarHBondContact O-NH2 2.92Å; R304-R306 PolarHBondContact O-N 2.87Å; R304-R306 VanDerWaalsContact O-N 3.12Å
307F96.1Very high92.6Very high2 Ų283.5 Ų83.51%0.00943%0.434CS..  trans-80.5162.6167.1-66.5-50.2000111.1Y77 T229 V231 H259 H261 M291 L292 F295Y77-F307 HydrophobicContact CD1-CB 3.68Å; Y77-F307 HydrophobicContact CD2-CB 4.17Å; Y77-F307 AromaticContact CD2-CD2 3.77Å; Y77-F307 HydrophobicContact CD2-CD2 3.77Å; Y77-F307 HydrophobicContact CD2-CG 4.47Å; Y77-F307 HydrophobicContact CE1-CB 3.86Å; Y77-F307 VanDerWaalsContact CE1-O 3.26Å; Y77-F307 WeakPolarHBondContact CE1-O 3.37Å; Y77-F307 HydrophobicContact CE2-CB 4.36Å; Y77-F307 AromaticContact CE2-CD2 3.97Å; Y77-F307 HydrophobicContact CE2-CD2 3.97Å; Y77-F307 HydrophobicContact CG-CB 3.84Å; Y77-F307 HydrophobicContact CG-CD2 4.21Å; T229-F307 HydrophobicContact CG2-CE1 4.21Å; T229-F307 HydrophobicContact CG2-CZ 3.87Å; T229-F307 WeakPolarHBondContact O-CE2 3.31Å; V231-F307 HydrophobicContact CB-CZ 4.18Å; V231-F307 HydrophobicContact CG2-CE1 4.08Å; V231-F307 HydrophobicContact CG2-CZ 3.6Å; H259-F307 HydrophobicContact CB-CD2 3.89Å; H259-F307 HydrophobicContact CB-CE2 3.69Å; H261-F307 HydrophobicContact CB-CB 4.4Å; H261-F307 HydrophobicContact CB-CD2 3.59Å; H261-F307 HydrophobicContact CB-CE2 3.91Å; H261-F307 HydrophobicContact CB-CG 4.05Å; M291-F307 HydrophobicContact CB-CD1 3.96Å; M291-F307 HydrophobicContact CB-CE1 4.06Å; M291-F307 HydrophobicContact SD-CD1 4.42Å; L292-F307 HydrophobicContact CD2-CE1 4.35Å; F295-F307 HydrophobicContact CD2-CD1 4.05Å; F295-F307 HydrophobicContact CD2-CE1 4.04Å
308P93.1Very high92.9Very high65 Ų6583.9 Ų83.942%0.42244%0.438SS..SBendtrans-55.9148.7172-25.135000112.5M291M291-P308 HydrophobicContact CG-CG 4.46Å
309G92.9Very high93.2Very high59 Ų5991.8 Ų91.861%0.60847%0.471SS*.SBendtrans85-177.4179.300000114.6
310K93.9Very high93.6Very high185 Ų18589.5 Ų89.580%0.80445%0.449SS*.  trans-84.3129.2-179.6-175.2178.5-180179.80109.9
311S95.9Very high94Very high44 Ų4486.6 Ų86.631%0.30843%0.433SS..EExtended strand (participates in β ladder)trans-86.8145.9169.4610000112L76L76-S311 CarbonylContact O-C 3.51Å; L76-S311 VanDerWaalsContact O-CA 3.25Å; L76-S311 WeakPolarHBondContact O-CA 3.26Å
312V96.1Very high94.6Very high91 Ų9184.8 Ų84.855%0.55242%0.418SS*.EExtended strand (participates in β ladder)trans-110.4126.9166179.90000109L76 S314L76-V312 PolarHBondContact N-O 3.4Å; L76-V312 PolarHBondContact O-N 2.88Å; V312-S314 PolarHBondContact O-N 2.96Å
313N96.5Very high95.1Very high85 Ų8581.1 Ų81.146%0.45541%0.407SS..EExtended strand (participates in β ladder)trans-70.1102.4169.3-176.45.5000108.9Q73 I74 L75 K315Q73-N313 PolarHBondContact NE2-ND2 3.24Å; Q73-N313 VanDerWaalsContact NE2-ND2 3.15Å; I74-N313 WeakPolarHBondContact O-CA 3.35Å; L75-N313 HydrophobicContact CD2-CB 4.16Å; N313-K315 PolarHBondContact O-N 3.42Å
314S96.2Very high95.6Very high29 Ų2975.6 Ų75.620%0.20339%0.388CS..  trans-97.881-174.5-170.90000109.2I74 L76 R108 V312I74-S314 PolarHBondContact O-N 2.9Å; L76-S314 VanDerWaalsContact CD1-CB 3.44Å; L76-S314 WeakPolarHBondContact CD1-OG 3.4Å; R108-S314 PolarHBondContact NE-OG 2.73Å; R108-S314 PolarHBondContact NH2-O 2.67Å; V312-S314 PolarHBondContact O-N 2.96Å
315K95.6Very high96Very high178 Ų17871.9 Ų71.977%0.77438%0.376SS*.PPolyproline II helixtrans-78.1124.9178.5-175.5176.1-179.3176.40111.2N313 S317N313-K315 PolarHBondContact O-N 3.42Å; K315-S317 PolarHBondContact O-N 2.85Å
316L96Very high96.4Very high7 Ų772 Ų724%0.03738%0.381CS..PPolyproline II helixtrans-70.9124.1174.1-17463.6000111.3L63 E67 N68 I107 I318 K320 T321L63-L316 HydrophobicContact CB-CD2 4.25Å; E67-L316 HydrophobicContact CB-CD2 4.5Å; E67-L316 HydrophobicContact CG-CB 4.29Å; E67-L316 WeakPolarHBondContact OE1-CA 3.38Å; E67-L316 WeakPolarHBondContact OE1-CB 3.48Å; E67-L316 PolarHBondContact OE1-N 3.13Å; E67-L316 WeakPolarHBondContact OE2-CB 3.44Å; N68-L316 PolarHBondContact ND2-O 3.1Å; N68-L316 VanDerWaalsContact ND2-O 3.13Å; I107-L316 HydrophobicContact CD1-CD1 4.4Å; I107-L316 HydrophobicContact CD1-CD2 4.28Å; I107-L316 HydrophobicContact CG2-CD1 3.75Å; I107-L316 HydrophobicContact CG2-CD2 4.04Å; L316-I318 PolarHBondContact O-N 2.82Å; L316-K320 HydrophobicContact CD1-CB 4.03Å; L316-K320 HydrophobicContact CD1-CD 3.7Å; L316-K320 HydrophobicContact CD1-CG 4.36Å; L316-K320 HydrophobicContact CG-CB 4.46Å; L316-T321 HydrophobicContact CD2-CG2 3.44Å; L316-T321 VanDerWaalsContact CD2-CG2 3.44Å; L316-T321 HydrophobicContact CG-CG2 4.18Å
317S96.5Very high96.6Very high60 Ų6071 Ų7142%0.4238%0.383SS..PPolyproline II helixtrans-60.1130.3174.8178.40000110.6K315 K319 K320K315-S317 PolarHBondContact O-N 2.85Å; S317-K319 PolarHBondContact O-N 2.88Å; S317-K319 PolarHBondContact OG-N 3.06Å; S317-K320 WeakPolarHBondContact O-CB 3.05Å; S317-K320 PolarHBondContact O-N 2.88Å
318I97.6Very high96.7Very high88 Ų8871.5 Ų71.545%0.45139%0.385SS..G310 helixtrans-56.1-25.7176.2-166.9163000112.4F64 L316 K320 T321 L322F64-I318 HydrophobicContact CE2-CD1 4.4Å; F64-I318 HydrophobicContact CE2-CG1 4.43Å; L316-I318 PolarHBondContact O-N 2.82Å; I318-K320 PolarHBondContact O-N 2.67Å; I318-T321 PolarHBondContact O-N 2.96Å; I318-T321 PolarHBondContact O-OG1 2.95Å; I318-L322 HydrophobicContact CD1-CD2 4.08Å; I318-L322 HydrophobicContact CG1-CB 3.69Å; I318-L322 HydrophobicContact CG1-CD2 3.98Å; I318-L322 HydrophobicContact CG1-CG 4.4Å; I318-L322 WeakPolarHBondContact O-CB 3.46Å; I318-L322 PolarHBondContact O-N 3.45Å
319K97.8Very high96.9Very high173 Ų17369.9 Ų69.975%0.75238%0.376SS*.G310 helixtrans-64.1-20.7176-60.8-175.6-179.4-177.80113.2S317 P323S317-K319 PolarHBondContact O-N 2.88Å; S317-K319 PolarHBondContact OG-N 3.06Å; K319-P323 WeakPolarHBondContact O-CD 3.4Å; K319-P323 WeakPolarHBondContact O-CG 3.37Å
320K97.1Very high97.2Very high72 Ų7269 Ų6931%0.31337%0.367SS..G310 helixtrans-82.5-19.9178-75.5-163159.1-162.50113.6I107 N110 L316 S317 I318I107-K320 HydrophobicContact CD1-CB 4.09Å; I107-K320 HydrophobicContact CG1-CD 4.32Å; I107-K320 PolarHBondContact O-NZ 3.24Å; N110-K320 PolarHBondContact OD1-NZ 2.85Å; L316-K320 HydrophobicContact CD1-CB 4.03Å; L316-K320 HydrophobicContact CD1-CD 3.7Å; L316-K320 HydrophobicContact CD1-CG 4.36Å; L316-K320 HydrophobicContact CG-CB 4.46Å; S317-K320 WeakPolarHBondContact O-CB 3.05Å; S317-K320 PolarHBondContact O-N 2.88Å; I318-K320 PolarHBondContact O-N 2.67Å
321T98.3Very high97.3Very high0 Ų065.2 Ų65.20%036%0.355CS..THydrogen-bonded Turntrans-124-39.7-168.954.80000112.8S60 L63 N68 I107 L316 I318 S324 M325S60-T321 VanDerWaalsContact O-CB 3.24Å; S60-T321 WeakPolarHBondContact O-CB 3.08Å; S60-T321 WeakPolarHBondContact O-CG2 3.3Å; L63-T321 HydrophobicContact CB-CG2 3.98Å; N68-T321 PolarHBondContact OD1-OG1 3.23Å; I107-T321 HydrophobicContact CD1-CG2 4.16Å; L316-T321 HydrophobicContact CD2-CG2 3.44Å; L316-T321 VanDerWaalsContact CD2-CG2 3.44Å; L316-T321 HydrophobicContact CG-CG2 4.18Å; I318-T321 PolarHBondContact O-N 2.96Å; I318-T321 PolarHBondContact O-OG1 2.95Å; T321-S324 PolarHBondContact O-N 2.81Å; T321-M325 PolarHBondContact O-N 2.86Å; T321-M325 VanDerWaalsContact O-N 3.09Å
322L98.2Very high97.4Very high53 Ų5363.6 Ų63.628%0.27734%0.343SS..Hα-helixtrans-59.8-43.8-177.9178.564000113.5F64 I318 S324 M325 L326F64-L322 HydrophobicContact CD2-CB 4.35Å; F64-L322 HydrophobicContact CD2-CD1 4.47Å; F64-L322 HydrophobicContact CE2-CB 4.3Å; F64-L322 HydrophobicContact CE2-CD1 3.84Å; F64-L322 HydrophobicContact CZ-CD1 4.33Å; I318-L322 HydrophobicContact CD1-CD2 4.08Å; I318-L322 HydrophobicContact CG1-CB 3.69Å; I318-L322 HydrophobicContact CG1-CD2 3.98Å; I318-L322 HydrophobicContact CG1-CG 4.4Å; I318-L322 WeakPolarHBondContact O-CB 3.46Å; I318-L322 PolarHBondContact O-N 3.45Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.16Å; L322-M325 HydrophobicContact CD1-CE 3.63Å; L322-M325 PolarHBondContact O-N 3.31Å; L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.25Å; L322-L326 HydrophobicContact CD1-CG 3.84Å; L322-L326 HydrophobicContact CD2-CD1 4.48Å; L322-L326 HydrophobicContact CG-CD1 3.87Å; L322-L326 HydrophobicContact CG-CG 4.18Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 2.85Å
323P98.4Very high97.5Very high61 Ų6161.5 Ų61.540%0.39634%0.336SS..Hα-helixtrans-57.7-44.4178.2-26.336.3000112.6K319 L326 I327K319-P323 WeakPolarHBondContact O-CD 3.4Å; K319-P323 WeakPolarHBondContact O-CG 3.37Å; P323-L326 PolarHBondContact O-N 3.49Å; P323-I327 WeakPolarHBondContact O-CB 3.49Å; P323-I327 WeakPolarHBondContact O-CD1 3.44Å; P323-I327 WeakPolarHBondContact O-CG1 3.29Å; P323-I327 PolarHBondContact O-N 2.88Å
324S98.3Very high97.5Very high15 Ų1559 Ų5911%0.10533%0.329CS..Hα-helixtrans-65.1-40.3178.2-57.80000112.4V57 S60 T321 L322 I327 L328V57-S324 WeakPolarHBondContact O-CB 3.39Å; S60-S324 WeakPolarHBondContact CB-OG 3.34Å; T321-S324 PolarHBondContact O-N 2.81Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.16Å; S324-I327 PolarHBondContact O-N 2.8Å; S324-L328 WeakPolarHBondContact O-CB 3.28Å; S324-L328 PolarHBondContact O-N 3.13Å
325M98.2Very high97.5Very high30 Ų3058.8 Ų58.815%0.14833%0.325CS..Hα-helixtrans-60.8-47174.2-174.7-78.9-84.400111.3M61 F64 F65 T321 L322 S329M61-M325 HydrophobicContact CB-CB 4.31Å; M61-M325 HydrophobicContact CG-CB 3.96Å; M61-M325 HydrophobicContact CG-CG 4.01Å; F64-M325 HydrophobicContact CB-CB 4.27Å; F64-M325 HydrophobicContact CD1-CB 4.38Å; F64-M325 HydrophobicContact CD1-CE 4.21Å; F64-M325 HydrophobicContact CD1-CG 3.9Å; F64-M325 HydrophobicContact CE1-CE 3.68Å; F64-M325 HydrophobicContact CE1-CG 4.3Å; F64-M325 HydrophobicContact CE2-CE 4.22Å; F64-M325 HydrophobicContact CG-CB 4.15Å; F64-M325 HydrophobicContact CG-CG 4.19Å; F64-M325 HydrophobicContact CZ-CE 3.68Å; F65-M325 HydrophobicContact CE2-CG 4.32Å; F65-M325 HydrophobicContact CZ-CG 4.46Å; T321-M325 PolarHBondContact O-N 2.86Å; T321-M325 VanDerWaalsContact O-N 3.09Å; L322-M325 HydrophobicContact CD1-CE 3.63Å; L322-M325 PolarHBondContact O-N 3.31Å; M325-S329 WeakPolarHBondContact O-CB 3.36Å; M325-S329 PolarHBondContact O-N 3.32Å; M325-S329 PolarHBondContact O-OG 3.34Å
326L98.3Very high97.5Very high100 Ų10053.5 Ų53.552%0.52431%0.305SS..Hα-helixtrans-65.3-42.2179.5-68.8175000112.2L322 P323 G330L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.25Å; L322-L326 HydrophobicContact CD1-CG 3.84Å; L322-L326 HydrophobicContact CD2-CD1 4.48Å; L322-L326 HydrophobicContact CG-CD1 3.87Å; L322-L326 HydrophobicContact CG-CG 4.18Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 2.85Å; P323-L326 PolarHBondContact O-N 3.49Å; L326-G330 WeakPolarHBondContact O-CA 3.34Å; L326-G330 PolarHBondContact O-N 3.2Å
327I97.8Very high97.6Very high95 Ų9560.3 Ų60.349%0.48734%0.339SS..Hα-helixtrans-63-53179-71.1164.4000110.5P323 S324 G330 L331P323-I327 WeakPolarHBondContact O-CB 3.49Å; P323-I327 WeakPolarHBondContact O-CD1 3.44Å; P323-I327 WeakPolarHBondContact O-CG1 3.29Å; P323-I327 PolarHBondContact O-N 2.88Å; S324-I327 PolarHBondContact O-N 2.8Å; I327-G330 PolarHBondContact O-N 2.99Å; I327-L331 HydrophobicContact CG2-CD1 3.91Å; I327-L331 HydrophobicContact CG2-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CB 3.39Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 2.95Å; I327-L331 PolarHBondContact O-N 3.35Å
328L97.9Very high97.6Very high11 Ų1161 Ų616%0.05834%0.34CS..Hα-helixtrans-66.3-41.6-177.8-74.9174.6000112T24 V57 Y58 M61 S324 T332T24-L328 HydrophobicContact CG2-CB 4.06Å; V57-L328 HydrophobicContact CG1-CD1 3.92Å; V57-L328 HydrophobicContact CG1-CD2 4.38Å; V57-L328 HydrophobicContact CG1-CG 3.93Å; Y58-L328 HydrophobicContact CD2-CD1 3.89Å; M61-L328 HydrophobicContact CB-CD1 4.14Å; M61-L328 HydrophobicContact CE-CD1 3.78Å; M61-L328 HydrophobicContact SD-CB 3.77Å; M61-L328 HydrophobicContact SD-CD1 3.78Å; M61-L328 HydrophobicContact SD-CG 4.44Å; S324-L328 WeakPolarHBondContact O-CB 3.28Å; S324-L328 PolarHBondContact O-N 3.13Å; L328-T332 VanDerWaalsContact O-CB 3.29Å; L328-T332 WeakPolarHBondContact O-CB 3.41Å; L328-T332 PolarHBondContact O-N 2.61Å; L328-T332 PolarHBondContact O-OG1 2.84Å
329S97.8Very high97.6Very high32 Ų3261.9 Ų61.922%0.22435%0.346CS..Hα-helixtrans-65.8-42177-56.10000111.3M325 T332 A333M325-S329 WeakPolarHBondContact O-CB 3.36Å; M325-S329 PolarHBondContact O-N 3.32Å; M325-S329 PolarHBondContact O-OG 3.34Å; S329-T332 PolarHBondContact O-N 3.16Å; S329-A333 WeakPolarHBondContact O-CB 3.49Å; S329-A333 PolarHBondContact O-N 3.48Å
330G97.8Very high97.6Very high41 Ų4157.1 Ų57.142%0.42334%0.339SS..Hα-helixtrans-65.3-44.7178.200000113L326 I327 T332 A333 G334L326-G330 WeakPolarHBondContact O-CA 3.34Å; L326-G330 PolarHBondContact O-N 3.2Å; I327-G330 PolarHBondContact O-N 2.99Å; G330-T332 VanDerWaalsContact C-N 3.33Å; G330-T332 PolarHBondContact O-N 3.33Å; G330-A333 PolarHBondContact O-N 2.87Å; G330-G334 PolarHBondContact O-N 2.97Å
331L97.2Very high97.6Very high104 Ų10454.1 Ų54.155%0.54533%0.328SS..Hα-helixtrans-62.7-41.1174.2-71.5173.2000111.7T27 I327 G334 M335T27-L331 HydrophobicContact CG2-CB 3.76Å; I327-L331 HydrophobicContact CG2-CD1 3.91Å; I327-L331 HydrophobicContact CG2-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CB 3.39Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 2.95Å; I327-L331 PolarHBondContact O-N 3.35Å; L331-G334 PolarHBondContact O-N 3.38Å; L331-M335 PolarHBondContact O-N 2.96Å
332T97.9Very high97.6Very high10 Ų1059.1 Ų59.16%0.06135%0.347CS..Hα-helixtrans-65.3-45.9177.4-56.40000110.9G23 T24 T27 L328 S329 G330 G334 M335 L336 Y345G23-T332 WeakPolarHBondContact O-CG2 3.33Å; T24-T332 WeakPolarHBondContact CG2-OG1 3.39Å; T27-T332 WeakPolarHBondContact CB-OG1 3.48Å; T27-T332 WeakPolarHBondContact OG1-CB 3.38Å; T27-T332 PolarHBondContact OG1-OG1 2.95Å; L328-T332 VanDerWaalsContact O-CB 3.29Å; L328-T332 WeakPolarHBondContact O-CB 3.41Å; L328-T332 PolarHBondContact O-N 2.61Å; L328-T332 PolarHBondContact O-OG1 2.84Å; S329-T332 PolarHBondContact O-N 3.16Å; G330-T332 VanDerWaalsContact C-N 3.33Å; G330-T332 PolarHBondContact O-N 3.33Å; T332-G334 VanDerWaalsContact C-N 3.35Å; T332-G334 PolarHBondContact O-N 2.71Å; T332-M335 PolarHBondContact O-N 2.83Å; T332-L336 HydrophobicContact CG2-CD1 4.08Å; T332-L336 VanDerWaalsContact O-CG 3.3Å; T332-L336 WeakPolarHBondContact O-CG 3.32Å; T332-L336 PolarHBondContact O-N 3.35Å; T332-Y345 HydrophobicContact CG2-CE2 4.23Å
333A97.3Very high97.5Very high48 Ų4863.6 Ų63.640%0.39737%0.365SS..Hα-helixtrans-59.8-45.5174.400000111.3S329 G330 M335 L336 M337S329-A333 WeakPolarHBondContact O-CB 3.49Å; S329-A333 PolarHBondContact O-N 3.48Å; G330-A333 PolarHBondContact O-N 2.87Å; A333-M335 VanDerWaalsContact C-N 3.32Å; A333-M335 PolarHBondContact O-N 2.55Å; A333-L336 PolarHBondContact O-N 3.48Å; A333-L336 VanDerWaalsContact O-N 3.07Å; A333-M337 VanDerWaalsContact O-CG 3.31Å; A333-M337 WeakPolarHBondContact O-CG 3.27Å; A333-M337 PolarHBondContact O-N 3.2Å
334G96.7Very high97.5Very high31 Ų3164.7 Ų64.732%0.3237%0.366SS..Hα-helixtrans-52.5-47.3174.300000113.1G330 L331 T332 M337G330-G334 PolarHBondContact O-N 2.97Å; L331-G334 PolarHBondContact O-N 3.38Å; T332-G334 VanDerWaalsContact C-N 3.35Å; T332-G334 PolarHBondContact O-N 2.71Å; G334-M337 PolarHBondContact O-N 3.41Å
335M95.9Very high97.4Very high25 Ų2565.4 Ų65.412%0.12337%0.367CS..Hα-helixtrans-64.7-42.1175.9-178.6170.741.800111.8T27 L30 L331 T332 A333 M337 T338 G341 R342 L344 Y345T27-M335 HydrophobicContact CG2-CE 4.27Å; T27-M335 WeakPolarHBondContact OG1-CE 3.29Å; L30-M335 HydrophobicContact CD1-CE 4.38Å; L30-M335 HydrophobicContact CD1-SD 3.8Å; L331-M335 PolarHBondContact O-N 2.96Å; T332-M335 PolarHBondContact O-N 2.83Å; A333-M335 VanDerWaalsContact C-N 3.32Å; A333-M335 PolarHBondContact O-N 2.55Å; M335-M337 VanDerWaalsContact C-N 3.3Å; M335-M337 PolarHBondContact O-N 3.47Å; M335-T338 PolarHBondContact O-N 2.88Å; M335-T338 PolarHBondContact O-OG1 3.41Å; M335-G341 VanDerWaalsContact CG-O 3.22Å; M335-G341 WeakPolarHBondContact CG-O 3.34Å; M335-G341 CarbonylContact O-C 3.16Å; M335-G341 WeakPolarHBondContact O-CA 3.46Å; M335-R342 PolarHBondContact O-N 2.69Å; M335-L344 HydrophobicContact SD-CD2 4.32Å; M335-L344 HydrophobicContact SD-CG 4.41Å; M335-Y345 HydrophobicContact CE-CD2 3.55Å; M335-Y345 HydrophobicContact CE-CE2 4.37Å; M335-Y345 HydrophobicContact CE-CG 4.43Å; M335-Y345 HydrophobicContact SD-CD2 4.41Å
336L97.3Very high97.4Very high68 Ų6867.6 Ų67.636%0.35638%0.382SS..Hα-helixtrans-72.1-20-178.8-66.1175.2000114.1T332 A333 T338 R342 Y345T332-L336 HydrophobicContact CG2-CD1 4.08Å; T332-L336 VanDerWaalsContact O-CG 3.3Å; T332-L336 WeakPolarHBondContact O-CG 3.32Å; T332-L336 PolarHBondContact O-N 3.35Å; A333-L336 PolarHBondContact O-N 3.48Å; A333-L336 VanDerWaalsContact O-N 3.07Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 3.25Å; L336-R342 HydrophobicContact CD2-CG 4.22Å; L336-R342 VanDerWaalsContact O-CD 3.3Å; L336-R342 WeakPolarHBondContact O-CD 3.36Å; L336-R342 WeakPolarHBondContact O-CG 3.38Å; L336-R342 PolarHBondContact O-NH1 2.93Å; L336-R342 VanDerWaalsContact O-NH1 3.11Å; L336-Y345 HydrophobicContact CD2-CD1 3.88Å; L336-Y345 HydrophobicContact CD2-CD2 4.05Å; L336-Y345 HydrophobicContact CD2-CE1 4.33Å; L336-Y345 HydrophobicContact CD2-CE2 4.44Å; L336-Y345 HydrophobicContact CD2-CG 3.73Å
337M97.3Very high97.3Very high150 Ų15066.1 Ų66.174%0.73937%0.374SS*.THydrogen-bonded Turntrans-71.6-15.3177.9-76.5-170.6-63.800114A333 G334 M335A333-M337 VanDerWaalsContact O-CG 3.31Å; A333-M337 WeakPolarHBondContact O-CG 3.27Å; A333-M337 PolarHBondContact O-N 3.2Å; G334-M337 PolarHBondContact O-N 3.41Å; M335-M337 VanDerWaalsContact C-N 3.3Å; M335-M337 PolarHBondContact O-N 3.47Å
338T97Very high97.2Very high73 Ų7362.2 Ų62.245%0.44836%0.355SS..SBendtrans-115.2148.2-178.767.90000111.8M335 L336 A340 G341 R342M335-T338 PolarHBondContact O-N 2.88Å; M335-T338 PolarHBondContact O-OG1 3.41Å; L336-T338 VanDerWaalsContact C-N 3.26Å; L336-T338 PolarHBondContact O-N 3.25Å; T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 2.84Å; T338-G341 PolarHBondContact O-N 2.87Å; T338-G341 WeakPolarHBondContact OG1-CA 3.41Å; T338-G341 PolarHBondContact OG1-N 3.02Å; T338-R342 WeakPolarHBondContact O-CG 3.42Å; T338-R342 PolarHBondContact O-N 3.16Å; T338-R342 PolarHBondContact O-NH1 3.26Å
339D97.2Very high97.1Very high107 Ų10765 Ų6557%0.57237%0.365SS*.Hα-helixtrans-60-44.1177.3-70.812.3000111.8R342 K343D339-R342 PolarHBondContact O-N 3.31Å; D339-R342 IonicContact OD1-CZ 3.48Å; D339-R342 IonicContact OD1-NH1 3.98Å; D339-R342 IonicContact OD1-NH2 2.96Å; D339-R342 PolarHBondContact OD1-NH2 2.83Å; D339-K343 WeakPolarHBondContact O-CG 3.46Å; D339-K343 PolarHBondContact O-N 3.14Å
340A97.2Very high97Very high74 Ų7467.5 Ų67.561%0.61238%0.375SS*.Hα-helixtrans-62.5-44.3176.900000111.4T338 K343 L344T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 2.84Å; A340-K343 PolarHBondContact O-N 3.2Å; A340-L344 WeakPolarHBondContact O-CB 3.46Å; A340-L344 PolarHBondContact O-N 3.06Å
341G97.3Very high96.8Very high8 Ų872.1 Ų72.18%0.08238%0.381CS..Hα-helixtrans-68.3-37.4178.400000113M335 T338 K343 L344 Y345M335-G341 VanDerWaalsContact CG-O 3.22Å; M335-G341 WeakPolarHBondContact CG-O 3.34Å; M335-G341 CarbonylContact O-C 3.16Å; M335-G341 WeakPolarHBondContact O-CA 3.46Å; T338-G341 PolarHBondContact O-N 2.87Å; T338-G341 WeakPolarHBondContact OG1-CA 3.41Å; T338-G341 PolarHBondContact OG1-N 3.02Å; G341-K343 PolarHBondContact O-N 3.34Å; G341-L344 PolarHBondContact O-N 3.15Å; G341-Y345 VanDerWaalsContact O-CB 3.29Å; G341-Y345 WeakPolarHBondContact O-CB 3.25Å; G341-Y345 PolarHBondContact O-N 3.28Å
342R97.9Very high96.6Very high106 Ų10668 Ų6840%0.436%0.364SS..Hα-helixtrans-62.3-42.3171.5-71.4-165.3-59-79.64112.1M335 L336 T338 D339 Y345 V346M335-R342 PolarHBondContact O-N 2.69Å; L336-R342 HydrophobicContact CD2-CG 4.22Å; L336-R342 VanDerWaalsContact O-CD 3.3Å; L336-R342 WeakPolarHBondContact O-CD 3.36Å; L336-R342 WeakPolarHBondContact O-CG 3.38Å; L336-R342 PolarHBondContact O-NH1 2.93Å; L336-R342 VanDerWaalsContact O-NH1 3.11Å; T338-R342 WeakPolarHBondContact O-CG 3.42Å; T338-R342 PolarHBondContact O-N 3.16Å; T338-R342 PolarHBondContact O-NH1 3.26Å; D339-R342 PolarHBondContact O-N 3.31Å; D339-R342 IonicContact OD1-CZ 3.48Å; D339-R342 IonicContact OD1-NH1 3.98Å; D339-R342 IonicContact OD1-NH2 2.96Å; D339-R342 PolarHBondContact OD1-NH2 2.83Å; R342-Y345 WeakPolarHBondContact O-CB 3.25Å; R342-Y345 PolarHBondContact O-N 3.46Å; R342-V346 WeakPolarHBondContact O-CG2 3.26Å; R342-V346 PolarHBondContact O-N 2.79Å
343K97.5Very high96.3Very high147 Ų14769.1 Ų69.164%0.63937%0.37SS*.Hα-helixtrans-61.2-47.2173.8-72.8175.8-176.7178.50110.9D339 A340 G341 Y345 V346 N347D339-K343 WeakPolarHBondContact O-CG 3.46Å; D339-K343 PolarHBondContact O-N 3.14Å; A340-K343 PolarHBondContact O-N 3.2Å; G341-K343 PolarHBondContact O-N 3.34Å; K343-Y345 VanDerWaalsContact C-N 3.33Å; K343-Y345 PolarHBondContact O-N 3.05Å; K343-V346 PolarHBondContact O-N 3.44Å; K343-N347 WeakPolarHBondContact O-CB 3.45Å; K343-N347 PolarHBondContact O-N 3.37Å; K343-N347 PolarHBondContact O-ND2 2.93Å
344L97.1Very high96.2Very high83 Ų8371.9 Ų71.944%0.43538%0.378SS..Hα-helixtrans-59.8-43.3177.3-179.161000112L30 M335 A340 G341 N347 T348L30-L344 HydrophobicContact CD1-CD1 4.43Å; L30-L344 HydrophobicContact CD1-CD2 3.95Å; L30-L344 HydrophobicContact CD1-CG 3.86Å; L30-L344 HydrophobicContact CD2-CD1 4.06Å; L30-L344 HydrophobicContact CD2-CG 4.37Å; M335-L344 HydrophobicContact SD-CD2 4.32Å; M335-L344 HydrophobicContact SD-CG 4.41Å; A340-L344 WeakPolarHBondContact O-CB 3.46Å; A340-L344 PolarHBondContact O-N 3.06Å; G341-L344 PolarHBondContact O-N 3.15Å; L344-N347 PolarHBondContact O-N 3.48Å; L344-T348 WeakPolarHBondContact O-CB 3.42Å; L344-T348 PolarHBondContact O-N 2.95Å; L344-T348 PolarHBondContact O-OG1 2.97Å
345Y97.3Very high95.9Very high31 Ų3175.9 Ų75.912%0.12239%0.392CS..Hα-helixtrans-58.6-53.6176.8-178.4-92.9000112.3G23 P26 T332 M335 L336 G341 R342 K343 T348 W349G23-Y345 WeakPolarHBondContact CA-OH 3.3Å; G23-Y345 WeakPolarHBondContact O-CE2 3.33Å; G23-Y345 PolarHBondContact O-OH 3.15Å; P26-Y345 HydrophobicContact CB-CD2 3.67Å; P26-Y345 HydrophobicContact CB-CE2 3.7Å; P26-Y345 HydrophobicContact CB-CG 4.42Å; P26-Y345 HydrophobicContact CG-CD2 3.83Å; P26-Y345 HydrophobicContact CG-CE1 4.33Å; P26-Y345 HydrophobicContact CG-CE2 3.4Å; P26-Y345 HydrophobicContact CG-CG 4.48Å; T332-Y345 HydrophobicContact CG2-CE2 4.23Å; M335-Y345 HydrophobicContact CE-CD2 3.55Å; M335-Y345 HydrophobicContact CE-CE2 4.37Å; M335-Y345 HydrophobicContact CE-CG 4.43Å; M335-Y345 HydrophobicContact SD-CD2 4.41Å; L336-Y345 HydrophobicContact CD2-CD1 3.88Å; L336-Y345 HydrophobicContact CD2-CD2 4.05Å; L336-Y345 HydrophobicContact CD2-CE1 4.33Å; L336-Y345 HydrophobicContact CD2-CE2 4.44Å; L336-Y345 HydrophobicContact CD2-CG 3.73Å; G341-Y345 VanDerWaalsContact O-CB 3.29Å; G341-Y345 WeakPolarHBondContact O-CB 3.25Å; G341-Y345 PolarHBondContact O-N 3.28Å; R342-Y345 WeakPolarHBondContact O-CB 3.25Å; R342-Y345 PolarHBondContact O-N 3.46Å; K343-Y345 VanDerWaalsContact C-N 3.33Å; K343-Y345 PolarHBondContact O-N 3.05Å; Y345-T348 WeakPolarHBondContact O-CB 3.45Å; Y345-T348 PolarHBondContact O-N 3.12Å; Y345-W349 AromaticContact CD1-CD1 3.93Å; Y345-W349 AromaticContact CE1-CD1 3.44Å; Y345-W349 VanDerWaalsContact CE1-CD1 3.44Å; Y345-W349 AromaticContact CE1-NE1 3.37Å; Y345-W349 AromaticContact CZ-CD1 3.83Å; Y345-W349 AromaticContact CZ-NE1 3.34Å; Y345-W349 VanDerWaalsContact CZ-NE1 3.34Å; Y345-W349 PolarHBondContact O-N 3.05Å; Y345-W349 VanDerWaalsContact O-N 3.12Å; Y345-W349 PolarHBondContact OH-NE1 2.77Å; Y345-W349 VanDerWaalsContact OH-NE1 3.11Å
346V96.8Very high95.7Very high75 Ų7575.3 Ų75.346%0.45539%0.392SS..Hα-helixtrans-63.9-43179.5172.90000110.8R342 K343 T348 W349 I350R342-V346 WeakPolarHBondContact O-CG2 3.26Å; R342-V346 PolarHBondContact O-N 2.79Å; K343-V346 PolarHBondContact O-N 3.44Å; V346-T348 VanDerWaalsContact C-N 3.27Å; V346-T348 PolarHBondContact O-N 3.03Å; V346-W349 WeakPolarHBondContact O-CB 3.39Å; V346-W349 PolarHBondContact O-N 2.85Å; V346-I350 HydrophobicContact CG1-CD1 3.86Å; V346-I350 WeakPolarHBondContact O-CG1 3.39Å; V346-I350 PolarHBondContact O-N 3.45Å
347N96.6Very high95.3Very high69 Ų6974 Ų7437%0.36939%0.388SS..Hα-helixtrans-62-36.8176.5-75.4-9.2000111.8K343 L344 I350 Y351K343-N347 WeakPolarHBondContact O-CB 3.45Å; K343-N347 PolarHBondContact O-N 3.37Å; K343-N347 PolarHBondContact O-ND2 2.93Å; L344-N347 PolarHBondContact O-N 3.48Å; N347-I350 PolarHBondContact O-N 3.26Å; N347-Y351 HydrophobicContact CB-CD2 3.83Å; N347-Y351 HydrophobicContact CB-CE2 4Å; N347-Y351 WeakPolarHBondContact O-CB 3.29Å; N347-Y351 WeakPolarHBondContact O-CD2 3.24Å; N347-Y351 PolarHBondContact O-N 2.98Å
348T96.5Very high95.1Very high13 Ų1371.5 Ų71.58%0.0838%0.377CS..Hα-helixtrans-65.5-42.6176.4-59.50000111P26 V29 L30 L128 L344 Y345 V346 I350 G352P26-T348 HydrophobicContact CB-CG2 3.74Å; V29-T348 HydrophobicContact CG1-CG2 4.43Å; L30-T348 HydrophobicContact CD1-CG2 4.48Å; L30-T348 HydrophobicContact CD2-CG2 4.36Å; L30-T348 WeakPolarHBondContact CD2-OG1 3.45Å; L30-T348 HydrophobicContact CG-CG2 3.99Å; L128-T348 WeakPolarHBondContact CD2-O 3.46Å; L344-T348 WeakPolarHBondContact O-CB 3.42Å; L344-T348 PolarHBondContact O-N 2.95Å; L344-T348 PolarHBondContact O-OG1 2.97Å; Y345-T348 WeakPolarHBondContact O-CB 3.45Å; Y345-T348 PolarHBondContact O-N 3.12Å; V346-T348 VanDerWaalsContact C-N 3.27Å; V346-T348 PolarHBondContact O-N 3.03Å; T348-I350 PolarHBondContact O-N 2.94Å; T348-G352 WeakPolarHBondContact O-CA 3.47Å; T348-G352 PolarHBondContact O-N 2.87Å
349W95.3Very high94.8Very high69 Ų6970.6 Ų70.626%0.26137%0.366SS..Hα-helixtrans-56.5-50.5172.4-89.9117000112L22 A25 P26 P127 L128 Y345 V346 T353L22-W349 VanDerWaalsContact O-CZ2 3.28Å; L22-W349 WeakPolarHBondContact O-CZ2 3.3Å; A25-W349 HydrophobicContact CB-CH2 4.19Å; A25-W349 HydrophobicContact CB-CZ2 4.27Å; P26-W349 HydrophobicContact CG-CD2 3.98Å; P26-W349 VanDerWaalsContact CG-CE2 3.5Å; P26-W349 HydrophobicContact CG-CG 3.93Å; P26-W349 HydrophobicContact CG-CZ2 4.12Å; P127-W349 HydrophobicContact CB-CZ3 4.26Å; L128-W349 HydrophobicContact CD1-CD2 3.77Å; L128-W349 HydrophobicContact CD1-CE3 3.41Å; L128-W349 VanDerWaalsContact CD1-CE3 3.41Å; L128-W349 HydrophobicContact CD1-CH2 3.87Å; L128-W349 HydrophobicContact CD1-CZ2 4.22Å; L128-W349 HydrophobicContact CD1-CZ3 3.46Å; L128-W349 VanDerWaalsContact CD1-CZ3 3.46Å; L128-W349 HydrophobicContact CG-CE3 3.76Å; L128-W349 HydrophobicContact CG-CZ3 3.78Å; Y345-W349 AromaticContact CD1-CD1 3.93Å; Y345-W349 AromaticContact CE1-CD1 3.44Å; Y345-W349 VanDerWaalsContact CE1-CD1 3.44Å; Y345-W349 AromaticContact CE1-NE1 3.37Å; Y345-W349 AromaticContact CZ-CD1 3.83Å; Y345-W349 AromaticContact CZ-NE1 3.34Å; Y345-W349 VanDerWaalsContact CZ-NE1 3.34Å; Y345-W349 PolarHBondContact O-N 3.05Å; Y345-W349 VanDerWaalsContact O-N 3.12Å; Y345-W349 PolarHBondContact OH-NE1 2.77Å; Y345-W349 VanDerWaalsContact OH-NE1 3.11Å; V346-W349 WeakPolarHBondContact O-CB 3.39Å; V346-W349 PolarHBondContact O-N 2.85Å; W349-T353 WeakPolarHBondContact O-CB 3.45Å; W349-T353 PolarHBondContact O-N 2.88Å; W349-T353 PolarHBondContact O-OG1 2.67Å
350I95Very high94.2Very high85 Ų8565.6 Ų65.644%0.43634%0.339SS..Hα-helixtrans-69.1-63.5-176.2-63169.2000110.4V346 N347 T348 T353 L354V346-I350 HydrophobicContact CG1-CD1 3.86Å; V346-I350 WeakPolarHBondContact O-CG1 3.39Å; V346-I350 PolarHBondContact O-N 3.45Å; N347-I350 PolarHBondContact O-N 3.26Å; T348-I350 PolarHBondContact O-N 2.94Å; I350-T353 PolarHBondContact O-N 2.98Å; I350-L354 HydrophobicContact CG2-CD1 3.94Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.48Å; I350-L354 PolarHBondContact O-N 3.07Å
351Y94.4Very high93.8Very high138 Ų13866.1 Ų66.154%0.54133%0.334SS..Hα-helixtrans-72.6-35.3-173.3-61.3-63.7000112.5N347 T353 L354 L355N347-Y351 HydrophobicContact CB-CD2 3.83Å; N347-Y351 HydrophobicContact CB-CE2 4Å; N347-Y351 WeakPolarHBondContact O-CB 3.29Å; N347-Y351 WeakPolarHBondContact O-CD2 3.24Å; N347-Y351 PolarHBondContact O-N 2.98Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 3.36Å; Y351-L354 HydrophobicContact CD1-CD1 4.38Å; Y351-L354 PolarHBondContact O-N 2.88Å; Y351-L355 VanDerWaalsContact O-CB 3.23Å; Y351-L355 WeakPolarHBondContact O-CB 3.48Å; Y351-L355 WeakPolarHBondContact O-CG 3.44Å; Y351-L355 PolarHBondContact O-N 3.3Å
352G92.8Very high93.3Very high19 Ų1971.8 Ų71.820%0.19636%0.361CS..Hα-helixtrans-62.6-38.9174.300000111.8T348 G356T348-G352 WeakPolarHBondContact O-CA 3.47Å; T348-G352 PolarHBondContact O-N 2.87Å; G352-G356 PolarHBondContact O-N 2.81Å
353T92.9Very high92.3Very high32 Ų3273.6 Ų73.620%0.19637%0.372CS..Hα-helixtrans-68.6-47.8174.3-59.20000111.3P127 W349 I350 Y351 L355 G356 C357P127-T353 HydrophobicContact CB-CG2 3.83Å; P127-T353 HydrophobicContact CG-CG2 4.2Å; W349-T353 WeakPolarHBondContact O-CB 3.45Å; W349-T353 PolarHBondContact O-N 2.88Å; W349-T353 PolarHBondContact O-OG1 2.67Å; I350-T353 PolarHBondContact O-N 2.98Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 3.36Å; T353-L355 PolarHBondContact O-N 3.12Å; T353-G356 PolarHBondContact O-N 2.89Å; T353-G356 VanDerWaalsContact O-N 3.14Å; T353-C357 PolarHBondContact O-N 3.49Å; T353-C357 PolarHBondContact O-SG 3.45Å; T353-C357 VanDerWaalsContact O-SG 3.33Å
354L93.7Very high90.6Very high106 Ų10671.7 Ų71.756%0.55538%0.384SS*.Hα-helixtrans-59.6-45.2178.5-71.2172.7000112.1I350 Y351 G356 C357 L358I350-L354 HydrophobicContact CG2-CD1 3.94Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.48Å; I350-L354 PolarHBondContact O-N 3.07Å; Y351-L354 HydrophobicContact CD1-CD1 4.38Å; Y351-L354 PolarHBondContact O-N 2.88Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.05Å; L354-C357 PolarHBondContact O-N 3.22Å; L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.72Å
355L91.5Very high90.2Very high116 Ų11671.1 Ų71.161%0.60738%0.381SS*.Hα-helixtrans-63.9-38.7175.6-72.1170.8000111.6Y351 T353 L358 W359Y351-L355 VanDerWaalsContact O-CB 3.23Å; Y351-L355 WeakPolarHBondContact O-CB 3.48Å; Y351-L355 WeakPolarHBondContact O-CG 3.44Å; Y351-L355 PolarHBondContact O-N 3.3Å; T353-L355 PolarHBondContact O-N 3.12Å; L355-L358 PolarHBondContact O-N 3.26Å; L355-W359 VanDerWaalsContact O-CB 3.29Å; L355-W359 WeakPolarHBondContact O-CB 3.25Å; L355-W359 PolarHBondContact O-N 3.43Å
356G90.3Very high89.9Confident12 Ų1273.2 Ų73.212%0.12440%0.395CS..Hα-helixtrans-60.9-49173.300000112.2G352 T353 L354 L358 W359 V360G352-G356 PolarHBondContact O-N 2.81Å; T353-G356 PolarHBondContact O-N 2.89Å; T353-G356 VanDerWaalsContact O-N 3.14Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.05Å; G356-L358 PolarHBondContact O-N 2.85Å; G356-W359 PolarHBondContact O-N 2.67Å; G356-V360 WeakPolarHBondContact O-CG2 3.39Å; G356-V360 PolarHBondContact O-N 2.98Å
357C90.5Very high89.5Confident42 Ų4273.1 Ų73.128%0.28439%0.392SS..Hα-helixtrans-62.2-40.9176.1-67.70000112.2W125 T353 L354 V360 T361W125-C357 HydrophobicContact CE3-CB 4.42Å; W125-C357 HydrophobicContact CZ3-CB 4.11Å; T353-C357 PolarHBondContact O-N 3.49Å; T353-C357 PolarHBondContact O-SG 3.45Å; T353-C357 VanDerWaalsContact O-SG 3.33Å; L354-C357 PolarHBondContact O-N 3.22Å; C357-V360 PolarHBondContact O-N 3.27Å; C357-T361 WeakPolarHBondContact O-CB 3.03Å; C357-T361 PolarHBondContact O-N 3.2Å; C357-T361 PolarHBondContact O-OG1 3.41Å
358L91.8Very high89.1Confident96 Ų9673.4 Ų73.450%0.50339%0.393SS..Hα-helixtrans-63.8-46.1176-17963.5000111.1L354 L355 G356 V360 T361 I362L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.72Å; L355-L358 PolarHBondContact O-N 3.26Å; G356-L358 PolarHBondContact O-N 2.85Å; L358-V360 VanDerWaalsContact C-N 3.3Å; L358-V360 PolarHBondContact O-N 3.07Å; L358-T361 PolarHBondContact O-N 3.05Å; L358-T361 VanDerWaalsContact O-N 3.08Å; L358-I362 HydrophobicContact CD1-CD1 3.96Å; L358-I362 HydrophobicContact CD1-CG1 4.25Å; L358-I362 HydrophobicContact CD2-CD1 4.47Å; L358-I362 HydrophobicContact CG-CD1 3.81Å; L358-I362 HydrophobicContact CG-CG1 4.47Å; L358-I362 WeakPolarHBondContact O-CG1 3.28Å; L358-I362 PolarHBondContact O-N 3.13Å
359W90.4Very high88.6Confident55 Ų5577.1 Ų77.121%0.20841%0.413CS..Hα-helixtrans-57.5-43.9175.9175.590000111.7C131 A134 L355 G356 T361 K363C131-W359 HydrophobicContact CB-CD2 4.31Å; C131-W359 HydrophobicContact CB-CE3 4.12Å; A134-W359 HydrophobicContact CB-CH2 3.19Å; A134-W359 HydrophobicContact CB-CZ2 3.8Å; A134-W359 HydrophobicContact CB-CZ3 3.91Å; L355-W359 VanDerWaalsContact O-CB 3.29Å; L355-W359 WeakPolarHBondContact O-CB 3.25Å; L355-W359 PolarHBondContact O-N 3.43Å; G356-W359 PolarHBondContact O-N 2.67Å; W359-T361 VanDerWaalsContact C-N 3.33Å; W359-T361 PolarHBondContact O-N 3.16Å; W359-K363 HydrophobicContact CH2-CD 4.13Å; W359-K363 HydrophobicContact CZ2-CD 3.53Å; W359-K363 HydrophobicContact CZ2-CG 4.49Å; W359-K363 WeakPolarHBondContact O-CB 3.43Å; W359-K363 PolarHBondContact O-N 2.65Å; W359-K363 VanDerWaalsContact O-N 3.13Å
360V86.4Confident88.2Confident2 Ų277.7 Ų77.71%0.01242%0.423CS..Hα-helixtrans-61-44.6174.8170.70000110.9K124 W125 G356 C357 L358 K363 A364K124-V360 HydrophobicContact CB-CG2 3.95Å; K124-V360 HydrophobicContact CD-CG1 3.53Å; K124-V360 HydrophobicContact CD-CG2 4.34Å; K124-V360 HydrophobicContact CG-CB 4.49Å; K124-V360 HydrophobicContact CG-CG1 3.69Å; K124-V360 HydrophobicContact CG-CG2 3.87Å; K124-V360 WeakPolarHBondContact O-CG2 3.49Å; W125-V360 HydrophobicContact CD2-CG1 3.93Å; W125-V360 HydrophobicContact CE3-CB 4.28Å; W125-V360 HydrophobicContact CE3-CG1 4.04Å; W125-V360 HydrophobicContact CH2-CB 4.1Å; W125-V360 HydrophobicContact CH2-CG1 3.48Å; W125-V360 VanDerWaalsContact CH2-CG1 3.48Å; W125-V360 HydrophobicContact CZ2-CB 4.4Å; W125-V360 HydrophobicContact CZ2-CG1 3.34Å; W125-V360 HydrophobicContact CZ3-CB 4.03Å; W125-V360 HydrophobicContact CZ3-CG1 3.83Å; G356-V360 WeakPolarHBondContact O-CG2 3.39Å; G356-V360 PolarHBondContact O-N 2.98Å; C357-V360 PolarHBondContact O-N 3.27Å; L358-V360 VanDerWaalsContact C-N 3.3Å; L358-V360 PolarHBondContact O-N 3.07Å; V360-K363 PolarHBondContact O-N 3.17Å; V360-A364 WeakPolarHBondContact O-CB 3.38Å; V360-A364 PolarHBondContact O-N 3.22Å
361T87.5Confident87.7Confident84 Ų8477.1 Ų77.152%0.51542%0.422SS..Hα-helixtrans-67.2-36.7-176.3-54.50000112.1C357 L358 W359C357-T361 WeakPolarHBondContact O-CB 3.03Å; C357-T361 PolarHBondContact O-N 3.2Å; C357-T361 PolarHBondContact O-OG1 3.41Å; L358-T361 PolarHBondContact O-N 3.05Å; L358-T361 VanDerWaalsContact O-N 3.08Å; W359-T361 VanDerWaalsContact C-N 3.33Å; W359-T361 PolarHBondContact O-N 3.16Å
362I86.5Confident87.2Confident127 Ų12772.5 Ų72.565%0.65141%0.412SS*.Hα-helixtrans-71.7-31.8177.2-66.4168.5000111.7L358L358-I362 HydrophobicContact CD1-CD1 3.96Å; L358-I362 HydrophobicContact CD1-CG1 4.25Å; L358-I362 HydrophobicContact CD2-CD1 4.47Å; L358-I362 HydrophobicContact CG-CD1 3.81Å; L358-I362 HydrophobicContact CG-CG1 4.47Å; L358-I362 WeakPolarHBondContact O-CG1 3.28Å; L358-I362 PolarHBondContact O-N 3.13Å
363K78Confident86.7Confident144 Ų14476.9 Ų76.963%0.62643%0.431SS*.Hα-helixtrans-92.7-21.2-178.8-76.5-150.2178.6-170.10115.2W359 V360W359-K363 HydrophobicContact CH2-CD 4.13Å; W359-K363 HydrophobicContact CZ2-CD 3.53Å; W359-K363 HydrophobicContact CZ2-CG 4.49Å; W359-K363 WeakPolarHBondContact O-CB 3.43Å; W359-K363 PolarHBondContact O-N 2.65Å; W359-K363 VanDerWaalsContact O-N 3.13Å; V360-K363 PolarHBondContact O-N 3.17Å
364A60.8Low86.1Confident107 Ų10781 Ų8188%0.88445%0.452SS*.  trans-70.90178.100000110.6V360V360-A364 WeakPolarHBondContact O-CB 3.38Å; V360-A364 PolarHBondContact O-N 3.22Å

Retrieved 364 of 364 residues in 263.8 ms (Link to these results)

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