A0A077ZIB5_TRITR Loading...

HTH OST-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZIB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M54.2Low72.8Confident235 Ų235122.4 Ų122.4100%1.15861%0.607SS**  02.40-107.6-167-71.200112.7
2E58.3Low74.6Confident165 Ų165118.5 Ų118.577%0.77159%0.588SS**G310 helixtrans-81.8-15.6-170.9-68.2169.4161.900114.9K4 E5E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.15Å; E2-E5 PolarHBondContact O-N 3.38Å
3E59Low76.2Confident157 Ų157109.4 Ų109.473%0.73454%0.542SS*.G310 helixtrans-72.1-14.3-172.9-151.5-175.4158.800114.6
4K58.8Low77.6Confident191 Ų191102.2 Ų102.283%0.8351%0.507SS*.G310 helixtrans-82.4-21.9178.9-86.7-174.2176.7178.90113.8E2E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.15Å
5E62.1Low78.7Confident153 Ų15399.7 Ų99.772%0.71550%0.503SS*.THydrogen-bonded Turntrans-80.2-34.9-176.1-154.3158.5-163.800111.5E2 K7 A8E2-E5 PolarHBondContact O-N 3.38Å; E5-K7 PolarHBondContact O-N 3.32Å; E5-K7 VanDerWaalsContact O-N 3.08Å; E5-A8 WeakPolarHBondContact O-CB 2.76Å; E5-A8 PolarHBondContact O-N 3.26Å; E5-A8 VanDerWaalsContact O-N 3.09Å
6N62.5Low79.7Confident108 Ų10893.8 Ų93.858%0.57847%0.474SS*.THydrogen-bonded Turntrans-63.7-19.4-179-69.2-4.3000114.7P10N6-P10 WeakPolarHBondContact O-CD 3.24Å
7K76.3Confident80.7Confident150 Ų15088.4 Ų88.465%0.65245%0.446SS*.THydrogen-bonded Turntrans-85.7-13.4178.4-67.1-175.7-178.4176.60113.6E5 V11E5-K7 PolarHBondContact O-N 3.32Å; E5-K7 VanDerWaalsContact O-N 3.08Å; K7-V11 WeakPolarHBondContact O-CG2 3.31Å
8A88.8Confident81.5Confident45 Ų4584.2 Ų84.237%0.37243%0.425SS..Hα-helixtrans-77.5-34.9-176.500000112.3E5 M12E5-A8 WeakPolarHBondContact O-CB 2.76Å; E5-A8 PolarHBondContact O-N 3.26Å; E5-A8 VanDerWaalsContact O-N 3.09Å; A8-M12 HydrophobicContact CB-CE 3.97Å; A8-M12 PolarHBondContact O-N 3.04Å; A8-M12 VanDerWaalsContact O-N 3.13Å
9L93.1Very high82Confident11 Ų1184.1 Ų84.16%0.05843%0.429CS..Hα-helixtrans-64.5-51.1-175.9-177.971.9000113.4V11 M12 V13 F41 P42 N46 L54 M58L9-V11 VanDerWaalsContact C-N 3.25Å; L9-V11 PolarHBondContact O-N 3.06Å; L9-M12 PolarHBondContact O-N 3.2Å; L9-M12 VanDerWaalsContact O-N 3.14Å; L9-V13 HydrophobicContact CD1-CG2 4.14Å; L9-V13 HydrophobicContact CG-CG2 4.15Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.02Å; L9-F41 HydrophobicContact CD1-CE2 4.11Å; L9-P42 HydrophobicContact CD1-CG 3.85Å; L9-N46 HydrophobicContact CD2-CB 4.36Å; L9-N46 WeakPolarHBondContact CD2-ND2 3.49Å; L9-L54 HydrophobicContact CD2-CD1 4.04Å; L9-L54 HydrophobicContact CD2-CD2 4.33Å; L9-M58 HydrophobicContact CD2-CE 4.32Å
10P94.2Very high82.6Confident37 Ų3781.7 Ų81.724%0.2442%0.416CS..Hα-helixtrans-62-35.8-177.8-20.532.9000111.9N6 V13 H14 V61N6-P10 WeakPolarHBondContact O-CD 3.24Å; P10-V13 PolarHBondContact O-N 2.93Å; P10-H14 VanDerWaalsContact O-CB 3.28Å; P10-H14 WeakPolarHBondContact O-CB 2.95Å; P10-H14 PolarHBondContact O-N 3.23Å; P10-V61 HydrophobicContact CB-CG2 3.91Å; P10-V61 WeakPolarHBondContact O-CG1 3.39Å
11V93.3Very high82.9Confident94 Ų9481.5 Ų81.557%0.5741%0.412SS*.Hα-helixtrans-64.7-42.6176.8177.80000111.4K7 L9 S15K7-V11 WeakPolarHBondContact O-CG2 3.31Å; L9-V11 VanDerWaalsContact C-N 3.25Å; L9-V11 PolarHBondContact O-N 3.06Å; V11-S15 WeakPolarHBondContact O-CB 3.05Å; V11-S15 PolarHBondContact O-N 3.46Å; V11-S15 PolarHBondContact O-OG 2.86Å
12M94Very high84.7Confident76 Ų7673 Ų7337%0.37437%0.371SS..Hα-helixtrans-66.9-45.9175.9-75.5-171.1-88.400112A8 L9 H14 S15 V16 Y33A8-M12 HydrophobicContact CB-CE 3.97Å; A8-M12 PolarHBondContact O-N 3.04Å; A8-M12 VanDerWaalsContact O-N 3.13Å; L9-M12 PolarHBondContact O-N 3.2Å; L9-M12 VanDerWaalsContact O-N 3.14Å; M12-H14 VanDerWaalsContact C-N 3.3Å; M12-H14 PolarHBondContact O-N 3.21Å; M12-S15 PolarHBondContact O-N 3.35Å; M12-V16 WeakPolarHBondContact O-CG2 3.07Å; M12-V16 PolarHBondContact O-N 3.21Å; M12-Y33 HydrophobicContact CB-CE2 4.1Å
13V96.5Very high86.5Confident0 Ų065.6 Ų65.60%034%0.34CS..Hα-helixtrans-56.9-45.8176.11730000110.6L9 P10 S15 V16 L17 F29 F41 M55 M58 V62L9-V13 HydrophobicContact CD1-CG2 4.14Å; L9-V13 HydrophobicContact CG-CG2 4.15Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.02Å; P10-V13 PolarHBondContact O-N 2.93Å; V13-S15 PolarHBondContact O-N 3.07Å; V13-V16 PolarHBondContact O-N 2.87Å; V13-L17 HydrophobicContact CG1-CD1 3.83Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.41Å; V13-F29 HydrophobicContact CB-CZ 4.37Å; V13-F29 HydrophobicContact CG1-CE2 4.12Å; V13-F29 HydrophobicContact CG1-CZ 3.98Å; V13-F29 HydrophobicContact CG2-CZ 4.11Å; V13-F41 HydrophobicContact CG2-CE2 3.91Å; V13-F41 HydrophobicContact CG2-CZ 4.12Å; V13-M55 HydrophobicContact CG1-CE 3.9Å; V13-M55 HydrophobicContact CG1-SD 3.98Å; V13-M58 HydrophobicContact CB-SD 4.07Å; V13-M58 HydrophobicContact CG1-SD 3.74Å; V13-M58 HydrophobicContact CG2-CE 4.39Å; V13-M58 HydrophobicContact CG2-SD 4.12Å; V13-V62 HydrophobicContact CG1-CG2 3.9Å
14H95.6Very high88.3Confident9 Ų958.1 Ų58.14%0.04231%0.305CS..Hα-helixtrans-58.4-48.3176.9-166.4-115.1000112.5P10 M12 V16 L17 L18 V61 K77 T82P10-H14 VanDerWaalsContact O-CB 3.28Å; P10-H14 WeakPolarHBondContact O-CB 2.95Å; P10-H14 PolarHBondContact O-N 3.23Å; M12-H14 VanDerWaalsContact C-N 3.3Å; M12-H14 PolarHBondContact O-N 3.21Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.47Å; H14-L17 PolarHBondContact O-N 3.36Å; H14-L18 VanDerWaalsContact CE1-CD1 3.41Å; H14-L18 WeakPolarHBondContact CE1-CD1 3.5Å; H14-L18 WeakPolarHBondContact ND1-CD1 3.37Å; H14-L18 WeakPolarHBondContact O-CB 3.25Å; H14-L18 WeakPolarHBondContact O-CG 3.16Å; H14-L18 PolarHBondContact O-N 2.89Å; H14-V61 HydrophobicContact CB-CG1 3.49Å; H14-V61 VanDerWaalsContact CB-CG1 3.49Å; H14-K77 PolarHBondContact NE2-O 2.91Å; H14-T82 PolarHBondContact CE1-OG1 3.26Å
15S93.5Very high90.1Very high64 Ų6451 Ų5145%0.44827%0.274SS..Hα-helixtrans-62.6-40-177.4-58.50000111.7V11 M12 V13V11-S15 WeakPolarHBondContact O-CB 3.05Å; V11-S15 PolarHBondContact O-N 3.46Å; V11-S15 PolarHBondContact O-OG 2.86Å; M12-S15 PolarHBondContact O-N 3.35Å; V13-S15 PolarHBondContact O-N 3.07Å
16V95.6Very high91.8Very high6 Ų644.6 Ų44.64%0.03625%0.249CC..Hα-helixtrans-69.8-45.6175.6175.70000110.6M12 V13 H14 L18 T19 F20 F29 A32 Y33 C36M12-V16 WeakPolarHBondContact O-CG2 3.07Å; M12-V16 PolarHBondContact O-N 3.21Å; V13-V16 PolarHBondContact O-N 2.87Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.47Å; V16-L18 VanDerWaalsContact C-N 3.26Å; V16-L18 PolarHBondContact O-N 3.22Å; V16-T19 PolarHBondContact O-N 2.92Å; V16-T19 VanDerWaalsContact O-N 3.15Å; V16-T19 PolarHBondContact O-OG1 3.07Å; V16-F20 HydrophobicContact CG1-CE2 4.29Å; V16-F20 WeakPolarHBondContact O-CD2 3.31Å; V16-F29 HydrophobicContact CB-CE2 4.04Å; V16-F29 HydrophobicContact CG1-CD2 3.92Å; V16-F29 HydrophobicContact CG1-CE2 3.8Å; V16-A32 HydrophobicContact CG1-CB 3.93Å; V16-Y33 HydrophobicContact CG2-CD2 4.1Å; V16-C36 HydrophobicContact CG2-CB 3.99Å
17L96.4Very high93.4Very high1 Ų143.2 Ų43.21%0.00525%0.248CC..Hα-helixtrans-66.4-27.3179.5-72.1175.4000113.3V13 H14 T19 F20 A24 F29 M55 V62 Y74 A76V13-L17 HydrophobicContact CG1-CD1 3.83Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.41Å; H14-L17 PolarHBondContact O-N 3.36Å; L17-T19 PolarHBondContact O-N 3.12Å; L17-F20 PolarHBondContact O-N 3.35Å; L17-A24 HydrophobicContact CD2-CB 4.17Å; L17-F29 HydrophobicContact CD2-CD2 3.47Å; L17-F29 VanDerWaalsContact CD2-CD2 3.47Å; L17-F29 HydrophobicContact CD2-CE2 4Å; L17-F29 HydrophobicContact CD2-CG 4.34Å; L17-F29 HydrophobicContact CG-CD2 3.88Å; L17-F29 HydrophobicContact CG-CE2 3.85Å; L17-M55 HydrophobicContact CD1-SD 4.49Å; L17-V62 HydrophobicContact CD1-CB 4.34Å; L17-V62 HydrophobicContact CD1-CG1 3.93Å; L17-V62 HydrophobicContact CD1-CG2 3.6Å; L17-Y74 WeakPolarHBondContact CD2-O 3.32Å; L17-A76 HydrophobicContact CB-CB 3.7Å
18L94.1Very high94.4Very high14 Ų1439.4 Ų39.47%0.07323%0.232CC..THydrogen-bonded Turntrans-62.1-22.6174.5-88.4166000113.2H14 V16 F20 A76 T82 L85 Q86H14-L18 VanDerWaalsContact CE1-CD1 3.41Å; H14-L18 WeakPolarHBondContact CE1-CD1 3.5Å; H14-L18 WeakPolarHBondContact ND1-CD1 3.37Å; H14-L18 WeakPolarHBondContact O-CB 3.25Å; H14-L18 WeakPolarHBondContact O-CG 3.16Å; H14-L18 PolarHBondContact O-N 2.89Å; V16-L18 VanDerWaalsContact C-N 3.26Å; V16-L18 PolarHBondContact O-N 3.22Å; L18-F20 VanDerWaalsContact C-N 3.25Å; L18-F20 PolarHBondContact O-N 3.17Å; L18-A76 HydrophobicContact CD2-CB 4.27Å; L18-A76 HydrophobicContact CG-CB 3.98Å; L18-T82 HydrophobicContact CD1-CG2 4.05Å; L18-L85 HydrophobicContact CB-CD2 4.4Å; L18-L85 HydrophobicContact CD1-CD2 3.97Å; L18-Q86 HydrophobicContact CD2-CB 4.41Å
19T91.6Very high94.8Very high82 Ų8237.2 Ų37.250%0.50321%0.214SC..THydrogen-bonded Turntrans-74.6-18.9174.870.90000112.2V16 L17V16-T19 PolarHBondContact O-N 2.92Å; V16-T19 VanDerWaalsContact O-N 3.15Å; V16-T19 PolarHBondContact O-OG1 3.07Å; L17-T19 PolarHBondContact O-N 3.12Å
20F93.4Very high95Very high36 Ų3639.6 Ų39.616%0.15823%0.227CC..  trans-100.895-179-64.5-90.6000111.3V16 L17 L18 N22 G23 A24 E28 A32V16-F20 HydrophobicContact CG1-CE2 4.29Å; V16-F20 WeakPolarHBondContact O-CD2 3.31Å; L17-F20 PolarHBondContact O-N 3.35Å; L18-F20 VanDerWaalsContact C-N 3.25Å; L18-F20 PolarHBondContact O-N 3.17Å; F20-N22 PolarHBondContact O-N 3.49Å; F20-N22 VanDerWaalsContact O-N 3.1Å; F20-G23 PolarHBondContact O-N 3.36Å; F20-A24 HydrophobicContact CB-CB 4.19Å; F20-A24 HydrophobicContact CD1-CB 3.75Å; F20-A24 HydrophobicContact CD2-CB 3.81Å; F20-A24 HydrophobicContact CE1-CB 3.95Å; F20-A24 HydrophobicContact CE2-CB 4.02Å; F20-A24 HydrophobicContact CG-CB 3.66Å; F20-A24 HydrophobicContact CZ-CB 4.07Å; F20-E28 HydrophobicContact CE1-CB 4.27Å; F20-E28 HydrophobicContact CZ-CB 4.49Å; F20-A32 HydrophobicContact CE2-CB 3.63Å; F20-A32 HydrophobicContact CZ-CB 3.55Å
21K90.5Very high95.1Very high77 Ų7741.7 Ų41.734%0.33524%0.239SC..THydrogen-bonded Turntrans-53.3-36.3-176.6-175.2174.6-175.3166.50114.7A90 A94K21-A90 PolarHBondContact NZ-O 3.37Å; K21-A94 HydrophobicContact CD-CB 4.47Å
22N91.6Very high95.2Very high56 Ų5638 Ų3830%0.29922%0.218SC..THydrogen-bonded Turntrans-106.59.1-177.8-58.9-38.3000112.8F20 F103F20-N22 PolarHBondContact O-N 3.49Å; F20-N22 VanDerWaalsContact O-N 3.1Å; N22-F103 HydrophobicContact CB-CE2 3.98Å
23G95.1Very high95.3Very high11 Ų1134.8 Ų34.811%0.11320%0.202CC..  trans85167.7-168.600000113.8F20 Y74F20-G23 PolarHBondContact O-N 3.36Å; G23-Y74 CarbonylContact C-O 3.5Å; G23-Y74 WeakPolarHBondContact CA-O 3.43Å
24A96.6Very high95.3Very high0 Ų040.9 Ų40.90%023%0.228CC..BIsolated β-bridgetrans-118.4144.7-178.300000110.9L17 F20 E28 F29 Y74L17-A24 HydrophobicContact CD2-CB 4.17Å; F20-A24 HydrophobicContact CB-CB 4.19Å; F20-A24 HydrophobicContact CD1-CB 3.75Å; F20-A24 HydrophobicContact CD2-CB 3.81Å; F20-A24 HydrophobicContact CE1-CB 3.95Å; F20-A24 HydrophobicContact CE2-CB 4.02Å; F20-A24 HydrophobicContact CG-CB 3.66Å; F20-A24 HydrophobicContact CZ-CB 4.07Å; A24-E28 HydrophobicContact CB-CB 4.33Å; A24-F29 HydrophobicContact CB-CB 4Å; A24-Y74 PolarHBondContact N-O 3.42Å; A24-Y74 PolarHBondContact O-N 2.8Å
25K97.3Very high95.1Very high41 Ų4146.3 Ų46.318%0.17826%0.258CS..  trans-66.8158.7162.7-62-172.9-173.7-154.40109.7S27 E28 F29 E71 L73K25-S27 VanDerWaalsContact C-N 3.26Å; K25-S27 PolarHBondContact O-N 2.95Å; K25-E28 HydrophobicContact CB-CB 4.4Å; K25-E28 HydrophobicContact CB-CG 4.15Å; K25-E28 PolarHBondContact N-OE2 3.35Å; K25-E28 PolarHBondContact O-N 2.95Å; K25-E28 VanDerWaalsContact O-N 3.14Å; K25-F29 WeakPolarHBondContact O-CB 3.03Å; K25-F29 PolarHBondContact O-N 3.39Å; K25-E71 VanDerWaalsContact CE-OE2 3.29Å; K25-E71 WeakPolarHBondContact CE-OE2 3.45Å; K25-E71 IonicContact NZ-OE1 2.89Å; K25-E71 IonicContact NZ-OE2 3.9Å; K25-E71 PolarHBondContact NZ-OE2 3.46Å; K25-L73 HydrophobicContact CB-CD2 4.43Å; K25-L73 HydrophobicContact CG-CD2 3.61Å
26G97Very high95Very high19 Ų1947.4 Ų47.420%0.19627%0.265CS..Hα-helixtrans-55.2-39.6178.100000114L30 L51G26-L30 VanDerWaalsContact O-CG 3.26Å; G26-L30 WeakPolarHBondContact O-CG 3.43Å; G26-L30 PolarHBondContact O-N 2.8Å; G26-L30 VanDerWaalsContact O-N 3.08Å; G26-L51 VanDerWaalsContact CA-CD2 3.46Å
27S96.5Very high94.7Very high79 Ų7949.4 Ų49.455%0.55228%0.282SS*.Hα-helixtrans-68.7-41.1176.950.50000113.4K25 T31K25-S27 VanDerWaalsContact C-N 3.26Å; K25-S27 PolarHBondContact O-N 2.95Å; S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 VanDerWaalsContact O-N 3.11Å; S27-T31 PolarHBondContact O-OG1 2.89Å
28E96.8Very high94.4Very high69 Ų6952.8 Ų52.832%0.32232%0.317SS..Hα-helixtrans-66-44.4177.9-67.8167.4175.200110.5F20 A24 K25 T31 A32F20-E28 HydrophobicContact CE1-CB 4.27Å; F20-E28 HydrophobicContact CZ-CB 4.49Å; A24-E28 HydrophobicContact CB-CB 4.33Å; K25-E28 HydrophobicContact CB-CB 4.4Å; K25-E28 HydrophobicContact CB-CG 4.15Å; K25-E28 PolarHBondContact N-OE2 3.35Å; K25-E28 PolarHBondContact O-N 2.95Å; K25-E28 VanDerWaalsContact O-N 3.14Å; E28-T31 PolarHBondContact O-N 2.91Å; E28-A32 WeakPolarHBondContact O-CB 3.41Å; E28-A32 PolarHBondContact O-N 3.46Å
29F97.6Very high94.2Very high0 Ų053.6 Ų53.60%033%0.328CS..Hα-helixtrans-59.1-48.5175.8172.5-98.7000111.8V13 V16 L17 A24 K25 T31 A32 Y33 F41 L51 M55V13-F29 HydrophobicContact CB-CZ 4.37Å; V13-F29 HydrophobicContact CG1-CE2 4.12Å; V13-F29 HydrophobicContact CG1-CZ 3.98Å; V13-F29 HydrophobicContact CG2-CZ 4.11Å; V16-F29 HydrophobicContact CB-CE2 4.04Å; V16-F29 HydrophobicContact CG1-CD2 3.92Å; V16-F29 HydrophobicContact CG1-CE2 3.8Å; L17-F29 HydrophobicContact CD2-CD2 3.47Å; L17-F29 VanDerWaalsContact CD2-CD2 3.47Å; L17-F29 HydrophobicContact CD2-CE2 4Å; L17-F29 HydrophobicContact CD2-CG 4.34Å; L17-F29 HydrophobicContact CG-CD2 3.88Å; L17-F29 HydrophobicContact CG-CE2 3.85Å; A24-F29 HydrophobicContact CB-CB 4Å; K25-F29 WeakPolarHBondContact O-CB 3.03Å; K25-F29 PolarHBondContact O-N 3.39Å; F29-T31 VanDerWaalsContact C-N 3.28Å; F29-T31 PolarHBondContact O-N 3.39Å; F29-A32 PolarHBondContact O-N 3Å; F29-Y33 AromaticContact CZ-CD2 3.96Å; F29-Y33 HydrophobicContact CZ-CD2 3.96Å; F29-Y33 VanDerWaalsContact O-CB 3.28Å; F29-Y33 WeakPolarHBondContact O-CB 3.35Å; F29-Y33 PolarHBondContact O-N 3.04Å; F29-F41 HydrophobicContact CE1-CD2 4.06Å; F29-F41 HydrophobicContact CE1-CE1 4.24Å; F29-F41 AromaticContact CE1-CE2 3.6Å; F29-F41 HydrophobicContact CE1-CE2 3.6Å; F29-F41 AromaticContact CE1-CZ 3.7Å; F29-F41 HydrophobicContact CE1-CZ 3.7Å; F29-F41 HydrophobicContact CZ-CD2 4.44Å; F29-F41 AromaticContact CZ-CE2 3.79Å; F29-F41 HydrophobicContact CZ-CE2 3.79Å; F29-F41 HydrophobicContact CZ-CZ 4.13Å; F29-L51 HydrophobicContact CD1-CD1 3.92Å; F29-L51 HydrophobicContact CD1-CD2 4.14Å; F29-L51 HydrophobicContact CE1-CD1 3.9Å; F29-M55 HydrophobicContact CD1-CE 3.55Å; F29-M55 HydrophobicContact CD2-CE 4.15Å; F29-M55 HydrophobicContact CE1-CE 3.26Å; F29-M55 HydrophobicContact CE2-CE 3.89Å; F29-M55 HydrophobicContact CG-CE 3.99Å; F29-M55 HydrophobicContact CZ-CE 3.45Å; F29-M55 VanDerWaalsContact CZ-CE 3.45Å
30L97Very high94.2Very high60 Ų6058.3 Ų58.331%0.31434%0.344SS..Hα-helixtrans-62.5-37.3179.6-72.9171000112.3G26 K34 F41 L51G26-L30 VanDerWaalsContact O-CG 3.26Å; G26-L30 WeakPolarHBondContact O-CG 3.43Å; G26-L30 PolarHBondContact O-N 2.8Å; G26-L30 VanDerWaalsContact O-N 3.08Å; L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 2.8Å; L30-F41 HydrophobicContact CD2-CB 3.57Å; L30-F41 HydrophobicContact CD2-CD1 3.69Å; L30-F41 HydrophobicContact CD2-CG 3.76Å; L30-L51 HydrophobicContact CD1-CD2 4.28Å; L30-L51 HydrophobicContact CD2-CD1 4.41Å; L30-L51 HydrophobicContact CD2-CD2 4.49Å; L30-L51 HydrophobicContact CG-CD2 4.09Å
31T96.5Very high94.2Very high82 Ų8257.5 Ų57.550%0.50334%0.341SS..Hα-helixtrans-65.4-52176.4-54.70000110.3S27 E28 F29 Y33 K34 D35S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 VanDerWaalsContact O-N 3.11Å; S27-T31 PolarHBondContact O-OG1 2.89Å; E28-T31 PolarHBondContact O-N 2.91Å; F29-T31 VanDerWaalsContact C-N 3.28Å; F29-T31 PolarHBondContact O-N 3.39Å; T31-Y33 VanDerWaalsContact C-N 3.34Å; T31-Y33 PolarHBondContact O-N 2.86Å; T31-K34 WeakPolarHBondContact O-CB 3.3Å; T31-K34 PolarHBondContact O-N 2.89Å; T31-D35 VanDerWaalsContact O-CG 3.26Å; T31-D35 PolarHBondContact O-N 2.76Å
32A95.6Very high94.3Very high15 Ų1555 Ų5512%0.12433%0.332CS..Hα-helixtrans-64.3-36.7178.700000113V16 F20 E28 F29 K34 D35 C36V16-A32 HydrophobicContact CG1-CB 3.93Å; F20-A32 HydrophobicContact CE2-CB 3.63Å; F20-A32 HydrophobicContact CZ-CB 3.55Å; E28-A32 WeakPolarHBondContact O-CB 3.41Å; E28-A32 PolarHBondContact O-N 3.46Å; F29-A32 PolarHBondContact O-N 3Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 2.78Å; A32-D35 PolarHBondContact O-N 2.75Å; A32-C36 WeakPolarHBondContact O-CB 3.29Å; A32-C36 PolarHBondContact O-N 2.84Å; A32-C36 PolarHBondContact O-SG 2.77Å
33Y96.7Very high94.3Very high9 Ų955.2 Ų55.24%0.03533%0.333CS..Hα-helixtrans-61.5-45.2174.7-174.9-82.8000110.9M12 V16 F29 T31 D35 C36 A37 F41M12-Y33 HydrophobicContact CB-CE2 4.1Å; V16-Y33 HydrophobicContact CG2-CD2 4.1Å; F29-Y33 AromaticContact CZ-CD2 3.96Å; F29-Y33 HydrophobicContact CZ-CD2 3.96Å; F29-Y33 VanDerWaalsContact O-CB 3.28Å; F29-Y33 WeakPolarHBondContact O-CB 3.35Å; F29-Y33 PolarHBondContact O-N 3.04Å; T31-Y33 VanDerWaalsContact C-N 3.34Å; T31-Y33 PolarHBondContact O-N 2.86Å; Y33-D35 VanDerWaalsContact C-N 3.28Å; Y33-D35 PolarHBondContact O-N 3.01Å; Y33-C36 PolarHBondContact O-N 3.2Å; Y33-A37 HydrophobicContact CD1-CB 4.04Å; Y33-A37 HydrophobicContact CE1-CB 3.66Å; Y33-A37 HydrophobicContact CE2-CB 4.45Å; Y33-A37 VanDerWaalsContact O-CB 3.28Å; Y33-A37 WeakPolarHBondContact O-CB 3.23Å; Y33-A37 PolarHBondContact O-N 2.88Å; Y33-F41 HydrophobicContact CD1-CB 4.05Å; Y33-F41 AromaticContact CD1-CD2 3.57Å; Y33-F41 HydrophobicContact CD1-CD2 3.57Å; Y33-F41 HydrophobicContact CD1-CG 4.29Å; Y33-F41 AromaticContact CD2-CD2 3.62Å; Y33-F41 HydrophobicContact CD2-CD2 3.62Å; Y33-F41 AromaticContact CD2-CE2 3.8Å; Y33-F41 HydrophobicContact CD2-CE2 3.8Å; Y33-F41 HydrophobicContact CE1-CB 4.29Å; Y33-F41 AromaticContact CE1-CD2 3.6Å; Y33-F41 HydrophobicContact CE1-CD2 3.6Å; Y33-F41 HydrophobicContact CE1-CE2 4.47Å; Y33-F41 HydrophobicContact CE1-CG 4.43Å; Y33-F41 AromaticContact CE2-CD2 3.64Å; Y33-F41 HydrophobicContact CE2-CD2 3.64Å; Y33-F41 AromaticContact CE2-CE2 3.72Å; Y33-F41 HydrophobicContact CE2-CE2 3.72Å; Y33-F41 AromaticContact CG-CD2 3.58Å; Y33-F41 HydrophobicContact CG-CD2 3.58Å; Y33-F41 HydrophobicContact CG-CE2 4.21Å; Y33-F41 AromaticContact CZ-CD2 3.63Å
34K95.9Very high94.1Very high128 Ų12859.6 Ų59.656%0.55736%0.362SS*.Hα-helixtrans-60.5-41.6176.8-174.2-174.2178.4-173.80111.5L30 T31 A32 G38 G39L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 2.8Å; T31-K34 WeakPolarHBondContact O-CB 3.3Å; T31-K34 PolarHBondContact O-N 2.89Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 2.78Å; K34-G38 WeakPolarHBondContact O-CA 3.5Å; K34-G38 PolarHBondContact O-N 3.5Å; K34-G39 WeakPolarHBondContact CA-O 3.44Å
35D92.2Very high93.8Very high124 Ų12467.2 Ų67.266%0.66340%0.397SS*.Hα-helixtrans-69.1-37.5179.5-64.5-18.8000112T31 A32 Y33T31-D35 VanDerWaalsContact O-CG 3.26Å; T31-D35 PolarHBondContact O-N 2.76Å; A32-D35 PolarHBondContact O-N 2.75Å; Y33-D35 VanDerWaalsContact C-N 3.28Å; Y33-D35 PolarHBondContact O-N 3.01Å
36C91Very high93.5Very high87 Ų8767.6 Ų67.659%0.58840%0.401SS*.Hα-helixtrans-82.6-41.1-179.2-68.20000114.2V16 A32 Y33V16-C36 HydrophobicContact CG2-CB 3.99Å; A32-C36 WeakPolarHBondContact O-CB 3.29Å; A32-C36 PolarHBondContact O-N 2.84Å; A32-C36 PolarHBondContact O-SG 2.77Å; Y33-C36 PolarHBondContact O-N 3.2Å
37A89.5Confident93.4Very high48 Ų4869.5 Ų69.540%0.39742%0.421SS..Hα-helixtrans-93.5-12.8-175.100000113.1Y33 G39Y33-A37 HydrophobicContact CD1-CB 4.04Å; Y33-A37 HydrophobicContact CE1-CB 3.66Å; Y33-A37 HydrophobicContact CE2-CB 4.45Å; Y33-A37 VanDerWaalsContact O-CB 3.28Å; Y33-A37 WeakPolarHBondContact O-CB 3.23Å; Y33-A37 PolarHBondContact O-N 2.88Å; A37-G39 PolarHBondContact O-N 3.19Å
38G89.3Confident93.3Very high72 Ų7268.4 Ų68.474%0.74241%0.406SS*.SBendtrans72.410.6179.900000114.8K34K34-G38 WeakPolarHBondContact O-CA 3.5Å; K34-G38 PolarHBondContact O-N 3.5Å
39G89.8Confident93.2Very high30 Ų3074 Ų7431%0.30943%0.432SS..SBendtrans-139.1170.4-174.300000113.4K34 A37K34-G39 WeakPolarHBondContact CA-O 3.44Å; A37-G39 PolarHBondContact O-N 3.19Å
40Q92.6Very high93.2Very high181 Ų18176.8 Ų76.885%0.84645%0.447SS*.  trans-71.8149.9168.2-63.9-172.919.700109.7P42Q40-P42 WeakPolarHBondContact O-CD 3.34Å
41F93.6Very high93.2Very high19 Ų1974.6 Ų74.68%0.08344%0.435CS..  trans-69.2122.1-179.7-171.3-115.5000110.5L9 V13 F29 L30 Y33 M43 L51 L54L9-F41 HydrophobicContact CD1-CE2 4.11Å; V13-F41 HydrophobicContact CG2-CE2 3.91Å; V13-F41 HydrophobicContact CG2-CZ 4.12Å; F29-F41 HydrophobicContact CE1-CD2 4.06Å; F29-F41 HydrophobicContact CE1-CE1 4.24Å; F29-F41 AromaticContact CE1-CE2 3.6Å; F29-F41 HydrophobicContact CE1-CE2 3.6Å; F29-F41 AromaticContact CE1-CZ 3.7Å; F29-F41 HydrophobicContact CE1-CZ 3.7Å; F29-F41 HydrophobicContact CZ-CD2 4.44Å; F29-F41 AromaticContact CZ-CE2 3.79Å; F29-F41 HydrophobicContact CZ-CE2 3.79Å; F29-F41 HydrophobicContact CZ-CZ 4.13Å; L30-F41 HydrophobicContact CD2-CB 3.57Å; L30-F41 HydrophobicContact CD2-CD1 3.69Å; L30-F41 HydrophobicContact CD2-CG 3.76Å; Y33-F41 HydrophobicContact CD1-CB 4.05Å; Y33-F41 AromaticContact CD1-CD2 3.57Å; Y33-F41 HydrophobicContact CD1-CD2 3.57Å; Y33-F41 HydrophobicContact CD1-CG 4.29Å; Y33-F41 AromaticContact CD2-CD2 3.62Å; Y33-F41 HydrophobicContact CD2-CD2 3.62Å; Y33-F41 AromaticContact CD2-CE2 3.8Å; Y33-F41 HydrophobicContact CD2-CE2 3.8Å; Y33-F41 HydrophobicContact CE1-CB 4.29Å; Y33-F41 AromaticContact CE1-CD2 3.6Å; Y33-F41 HydrophobicContact CE1-CD2 3.6Å; Y33-F41 HydrophobicContact CE1-CE2 4.47Å; Y33-F41 HydrophobicContact CE1-CG 4.43Å; Y33-F41 AromaticContact CE2-CD2 3.64Å; Y33-F41 HydrophobicContact CE2-CD2 3.64Å; Y33-F41 AromaticContact CE2-CE2 3.72Å; Y33-F41 HydrophobicContact CE2-CE2 3.72Å; Y33-F41 AromaticContact CG-CD2 3.58Å; Y33-F41 HydrophobicContact CG-CD2 3.58Å; Y33-F41 HydrophobicContact CG-CE2 4.21Å; Y33-F41 AromaticContact CZ-CD2 3.63Å; F41-M43 VanDerWaalsContact C-N 3.27Å; F41-M43 HydrophobicContact CD1-CG 3.44Å; F41-M43 VanDerWaalsContact CD1-CG 3.44Å; F41-M43 HydrophobicContact CD1-SD 4.18Å; F41-M43 HydrophobicContact CE1-CG 3.89Å; F41-M43 PolarHBondContact O-N 2.82Å; F41-L51 HydrophobicContact CD1-CD1 4.04Å; F41-L51 HydrophobicContact CE1-CD1 3.41Å; F41-L51 VanDerWaalsContact CE1-CD1 3.41Å; F41-L51 HydrophobicContact CZ-CD1 4Å; F41-L54 HydrophobicContact CD1-CD2 4.42Å; F41-L54 HydrophobicContact CE1-CD2 3.18Å; F41-L54 HydrophobicContact CE2-CD2 4.45Å; F41-L54 HydrophobicContact CZ-CD2 3.21Å
42P92Very high93.2Very high24 Ų2472.3 Ų72.316%0.15642%0.422CS..  trans-78.865-167.832.6-37.4000112.7L9 Q40 E45 N46L9-P42 HydrophobicContact CD1-CG 3.85Å; Q40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-E45 HydrophobicContact CB-CB 4.26Å; P42-E45 HydrophobicContact CB-CG 4.43Å; P42-E45 VanDerWaalsContact CB-OE2 3.3Å; P42-E45 WeakPolarHBondContact CB-OE2 3.49Å; P42-N46 PolarHBondContact O-ND2 2.95Å
43M92Very high93.3Very high62 Ų6273.7 Ų73.731%0.30543%0.43SS..THydrogen-bonded Turntrans-66.5-48.1-178.9-66.1-174.8-75.700112.2F41 E45 N46 G47 F48 L51F41-M43 VanDerWaalsContact C-N 3.27Å; F41-M43 HydrophobicContact CD1-CG 3.44Å; F41-M43 VanDerWaalsContact CD1-CG 3.44Å; F41-M43 HydrophobicContact CD1-SD 4.18Å; F41-M43 HydrophobicContact CE1-CG 3.89Å; F41-M43 PolarHBondContact O-N 2.82Å; M43-E45 PolarHBondContact O-N 3.15Å; M43-N46 PolarHBondContact O-N 3.36Å; M43-G47 PolarHBondContact O-N 3.37Å; M43-F48 CarbonylContact C-O 3.57Å; M43-F48 PolarHBondContact O-N 3.26Å; M43-F48 VanDerWaalsContact O-O 3.12Å; M43-L51 HydrophobicContact SD-CB 4.41Å
44S91Very high93.2Very high103 Ų10373.4 Ų73.472%0.7243%0.429SS*.G310 helixtrans-66.8-35.6-175.850.40000113N46 G47S44-N46 PolarHBondContact O-N 3.29Å; S44-G47 PolarHBondContact O-N 2.73Å
45E90.8Very high93.3Very high159 Ų15967.3 Ų67.374%0.74340%0.403SS*.G310 helixtrans-67.2-26.3-179.7-65.1173.6-175.300112.1P42 M43P42-E45 HydrophobicContact CB-CB 4.26Å; P42-E45 HydrophobicContact CB-CG 4.43Å; P42-E45 VanDerWaalsContact CB-OE2 3.3Å; P42-E45 WeakPolarHBondContact CB-OE2 3.49Å; M43-E45 PolarHBondContact O-N 3.15Å
46N89.5Confident93.6Very high49 Ų4967.3 Ų67.326%0.26239%0.394SS..G310 helixtrans-96.64.9179.7-68.2-83000113.1L9 P42 M43 S44 F48 L54L9-N46 HydrophobicContact CD2-CB 4.36Å; L9-N46 WeakPolarHBondContact CD2-ND2 3.49Å; P42-N46 PolarHBondContact O-ND2 2.95Å; M43-N46 PolarHBondContact O-N 3.36Å; S44-N46 PolarHBondContact O-N 3.29Å; N46-F48 HydrophobicContact CB-CD2 3.78Å; N46-F48 HydrophobicContact CB-CE2 4.1Å; N46-F48 WeakPolarHBondContact O-CD2 3.18Å; N46-F48 WeakPolarHBondContact O-CE2 3.49Å; N46-L54 HydrophobicContact CB-CD1 4.47Å
47G94.7Very high93.8Very high59 Ų5966 Ų6661%0.60839%0.389SS*.THydrogen-bonded Turntrans7620.4178.500000114.9M43 S44M43-G47 PolarHBondContact O-N 3.37Å; S44-G47 PolarHBondContact O-N 2.73Å
48F95.6Very high94.1Very high57 Ų5764.6 Ų64.625%0.2538%0.375CS..  trans-109.2137.9177.6-62.6-87.4000111.2M43 N46 L54 A57M43-F48 CarbonylContact C-O 3.57Å; M43-F48 PolarHBondContact O-N 3.26Å; M43-F48 VanDerWaalsContact O-O 3.12Å; N46-F48 HydrophobicContact CB-CD2 3.78Å; N46-F48 HydrophobicContact CB-CE2 4.1Å; N46-F48 WeakPolarHBondContact O-CD2 3.18Å; N46-F48 WeakPolarHBondContact O-CE2 3.49Å; F48-L54 HydrophobicContact CB-CB 3.98Å; F48-L54 HydrophobicContact CD1-CB 4.07Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CD2-CB 4.12Å; F48-L54 HydrophobicContact CD2-CD1 3.25Å; F48-L54 HydrophobicContact CD2-CG 4.24Å; F48-L54 HydrophobicContact CE2-CD1 3.36Å; F48-L54 HydrophobicContact CG-CB 3.78Å; F48-L54 HydrophobicContact CG-CD1 3.86Å; F48-L54 HydrophobicContact CG-CG 4.4Å; F48-L54 HydrophobicContact CZ-CD1 4.04Å; F48-A57 HydrophobicContact CE1-CB 3.52Å; F48-A57 HydrophobicContact CZ-CB 3.41Å; F48-A57 VanDerWaalsContact CZ-CB 3.41Å
49H95.6Very high94.5Very high186 Ų18664.7 Ų64.786%0.86136%0.362SS*.SBendtrans-91.3-20.2179.1-63.4-66000113.3
50D96.1Very high94.7Very high59 Ų5968.8 Ų68.832%0.31638%0.377SS..SBendtrans-144.4145.9-175.367.8-57000111.5P52 S53 L54D50-P52 WeakPolarHBondContact OD2-CD 3.38Å; D50-S53 PolarHBondContact O-N 3.17Å; D50-S53 WeakPolarHBondContact OD1-CB 3.38Å; D50-S53 PolarHBondContact OD1-OG 3.08Å; D50-S53 PolarHBondContact OD2-N 3.04Å; D50-S53 VanDerWaalsContact OD2-N 3.14Å; D50-S53 PolarHBondContact OD2-OG 3.45Å; D50-L54 PolarHBondContact O-N 2.83Å
51L96.6Very high94.9Very high14 Ų1461 Ų617%0.07334%0.342CS..Hα-helixtrans-56.8-43.7178.6179.470.4000113G26 F29 L30 F41 M43 S53 L54 M55 Y74G26-L51 VanDerWaalsContact CA-CD2 3.46Å; F29-L51 HydrophobicContact CD1-CD1 3.92Å; F29-L51 HydrophobicContact CD1-CD2 4.14Å; F29-L51 HydrophobicContact CE1-CD1 3.9Å; L30-L51 HydrophobicContact CD1-CD2 4.28Å; L30-L51 HydrophobicContact CD2-CD1 4.41Å; L30-L51 HydrophobicContact CD2-CD2 4.49Å; L30-L51 HydrophobicContact CG-CD2 4.09Å; F41-L51 HydrophobicContact CD1-CD1 4.04Å; F41-L51 HydrophobicContact CE1-CD1 3.41Å; F41-L51 VanDerWaalsContact CE1-CD1 3.41Å; F41-L51 HydrophobicContact CZ-CD1 4Å; M43-L51 HydrophobicContact SD-CB 4.41Å; L51-S53 PolarHBondContact O-N 3.49Å; L51-L54 PolarHBondContact O-N 3.35Å; L51-M55 HydrophobicContact CD1-CE 3.65Å; L51-M55 HydrophobicContact CD1-CG 4.18Å; L51-M55 HydrophobicContact CG-CE 4.39Å; L51-M55 HydrophobicContact CG-CG 4.27Å; L51-M55 VanDerWaalsContact O-CG 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.4Å; L51-M55 PolarHBondContact O-N 2.68Å; L51-Y74 HydrophobicContact CD2-CE2 4.01Å; L51-Y74 HydrophobicContact CG-CE2 4.42Å
52P97.1Very high95.1Very high33 Ų3360.4 Ų60.421%0.21434%0.34CS..Hα-helixtrans-58.1-42.9176.8-23.632.5000113.6D50 M55 R56 Y74D50-P52 WeakPolarHBondContact OD2-CD 3.38Å; P52-M55 PolarHBondContact O-N 3.05Å; P52-R56 VanDerWaalsContact O-CG 3.29Å; P52-R56 WeakPolarHBondContact O-CG 3.11Å; P52-R56 PolarHBondContact O-N 2.79Å; P52-Y74 WeakPolarHBondContact CG-OH 3.24Å
53S97.2Very high95.3Very high44 Ų4462.8 Ų62.831%0.30835%0.349SS..Hα-helixtrans-63.8-40.6177.5-63.60000112.8D50 L51 R56 A57D50-S53 PolarHBondContact O-N 3.17Å; D50-S53 WeakPolarHBondContact OD1-CB 3.38Å; D50-S53 PolarHBondContact OD1-OG 3.08Å; D50-S53 PolarHBondContact OD2-N 3.04Å; D50-S53 VanDerWaalsContact OD2-N 3.14Å; D50-S53 PolarHBondContact OD2-OG 3.45Å; L51-S53 PolarHBondContact O-N 3.49Å; S53-R56 PolarHBondContact O-N 2.85Å; S53-A57 PolarHBondContact O-N 3.34Å; S53-A57 VanDerWaalsContact O-N 3.13Å
54L96.3Very high95.6Very high3 Ų362.5 Ų62.52%0.01635%0.348CS..Hα-helixtrans-63-46.3174.7176.671.8000111.6L9 F41 N46 F48 D50 L51 R56 A57 M58L9-L54 HydrophobicContact CD2-CD1 4.04Å; L9-L54 HydrophobicContact CD2-CD2 4.33Å; F41-L54 HydrophobicContact CD1-CD2 4.42Å; F41-L54 HydrophobicContact CE1-CD2 3.18Å; F41-L54 HydrophobicContact CE2-CD2 4.45Å; F41-L54 HydrophobicContact CZ-CD2 3.21Å; N46-L54 HydrophobicContact CB-CD1 4.47Å; F48-L54 HydrophobicContact CB-CB 3.98Å; F48-L54 HydrophobicContact CD1-CB 4.07Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CD2-CB 4.12Å; F48-L54 HydrophobicContact CD2-CD1 3.25Å; F48-L54 HydrophobicContact CD2-CG 4.24Å; F48-L54 HydrophobicContact CE2-CD1 3.36Å; F48-L54 HydrophobicContact CG-CB 3.78Å; F48-L54 HydrophobicContact CG-CD1 3.86Å; F48-L54 HydrophobicContact CG-CG 4.4Å; F48-L54 HydrophobicContact CZ-CD1 4.04Å; D50-L54 PolarHBondContact O-N 2.83Å; L51-L54 PolarHBondContact O-N 3.35Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 2.82Å; L54-A57 WeakPolarHBondContact O-CB 3.12Å; L54-A57 PolarHBondContact O-N 2.82Å; L54-M58 HydrophobicContact CD1-CE 3.73Å; L54-M58 HydrophobicContact CD2-CE 4.38Å; L54-M58 HydrophobicContact CG-CE 3.8Å
55M97.5Very high95.9Very high1 Ų161.2 Ų61.21%0.00533%0.327CS..Hα-helixtrans-62.6-36.2-180-69.1-68.4-178.300111.8V13 L17 F29 L51 P52 A57 M58 V62 I64 Y74V13-M55 HydrophobicContact CG1-CE 3.9Å; V13-M55 HydrophobicContact CG1-SD 3.98Å; L17-M55 HydrophobicContact CD1-SD 4.49Å; F29-M55 HydrophobicContact CD1-CE 3.55Å; F29-M55 HydrophobicContact CD2-CE 4.15Å; F29-M55 HydrophobicContact CE1-CE 3.26Å; F29-M55 HydrophobicContact CE2-CE 3.89Å; F29-M55 HydrophobicContact CG-CE 3.99Å; F29-M55 HydrophobicContact CZ-CE 3.45Å; F29-M55 VanDerWaalsContact CZ-CE 3.45Å; L51-M55 HydrophobicContact CD1-CE 3.65Å; L51-M55 HydrophobicContact CD1-CG 4.18Å; L51-M55 HydrophobicContact CG-CE 4.39Å; L51-M55 HydrophobicContact CG-CG 4.27Å; L51-M55 VanDerWaalsContact O-CG 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.4Å; L51-M55 PolarHBondContact O-N 2.68Å; P52-M55 PolarHBondContact O-N 3.05Å; M55-A57 VanDerWaalsContact C-N 3.29Å; M55-A57 PolarHBondContact O-N 2.79Å; M55-M58 WeakPolarHBondContact O-CG 3.43Å; M55-M58 PolarHBondContact O-N 3.37Å; M55-M58 HydrophobicContact SD-SD 4.44Å; M55-V62 HydrophobicContact CB-CG1 4.43Å; M55-V62 HydrophobicContact SD-CB 4.34Å; M55-V62 HydrophobicContact SD-CG1 3.95Å; M55-V62 HydrophobicContact SD-CG2 3.79Å; M55-I64 HydrophobicContact CB-CD1 4.26Å; M55-Y74 HydrophobicContact CB-CD1 3.67Å; M55-Y74 HydrophobicContact CB-CE1 3.6Å; M55-Y74 HydrophobicContact CE-CG 4.48Å; M55-Y74 HydrophobicContact CG-CD1 3.57Å; M55-Y74 HydrophobicContact CG-CE1 3.63Å; M55-Y74 HydrophobicContact CG-CG 4.08Å; M55-Y74 HydrophobicContact SD-CD1 4.2Å; M55-Y74 HydrophobicContact SD-CG 4.32Å
56R97.5Very high96.2Very high124 Ų12460.4 Ų60.447%0.46832%0.321SS..Hα-helixtrans-67.9-26.4173.7-71.9178.4-159.11152.2113.2P52 S53 L54 M58 I64 E72P52-R56 VanDerWaalsContact O-CG 3.29Å; P52-R56 WeakPolarHBondContact O-CG 3.11Å; P52-R56 PolarHBondContact O-N 2.79Å; S53-R56 PolarHBondContact O-N 2.85Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 2.82Å; R56-M58 VanDerWaalsContact C-N 3.26Å; R56-M58 PolarHBondContact O-N 3.46Å; R56-I64 HydrophobicContact CB-CD1 4.39Å; R56-I64 HydrophobicContact CG-CD1 3.4Å; R56-E72 IonicContact CZ-OE1 3.31Å; R56-E72 IonicContact NH2-OE1 2.99Å; R56-E72 PolarHBondContact NH2-OE1 2.9Å; R56-E72 IonicContact NH2-OE2 3.7Å; R56-E72 PolarHBondContact NH2-OE2 2.92Å
57A96.4Very high96.4Very high59 Ų5958.8 Ų58.849%0.48831%0.312SS..THydrogen-bonded Turntrans-77-9176.900000113.8F48 S53 L54 M55 P59F48-A57 HydrophobicContact CE1-CB 3.52Å; F48-A57 HydrophobicContact CZ-CB 3.41Å; F48-A57 VanDerWaalsContact CZ-CB 3.41Å; S53-A57 PolarHBondContact O-N 3.34Å; S53-A57 VanDerWaalsContact O-N 3.13Å; L54-A57 WeakPolarHBondContact O-CB 3.12Å; L54-A57 PolarHBondContact O-N 2.82Å; M55-A57 VanDerWaalsContact C-N 3.29Å; M55-A57 PolarHBondContact O-N 2.79Å; A57-P59 WeakPolarHBondContact O-CD 3.42Å
58M95.6Very high96.3Very high19 Ų1962.3 Ų62.39%0.09431%0.311CS..  trans-12357.9178.557.5-17969.300113.5L9 V13 L54 M55 R56 D60 V61 V62L9-M58 HydrophobicContact CD2-CE 4.32Å; V13-M58 HydrophobicContact CB-SD 4.07Å; V13-M58 HydrophobicContact CG1-SD 3.74Å; V13-M58 HydrophobicContact CG2-CE 4.39Å; V13-M58 HydrophobicContact CG2-SD 4.12Å; L54-M58 HydrophobicContact CD1-CE 3.73Å; L54-M58 HydrophobicContact CD2-CE 4.38Å; L54-M58 HydrophobicContact CG-CE 3.8Å; M55-M58 WeakPolarHBondContact O-CG 3.43Å; M55-M58 PolarHBondContact O-N 3.37Å; M55-M58 HydrophobicContact SD-SD 4.44Å; R56-M58 VanDerWaalsContact C-N 3.26Å; R56-M58 PolarHBondContact O-N 3.46Å; M58-D60 PolarHBondContact O-N 3.19Å; M58-D60 VanDerWaalsContact O-N 3.13Å; M58-V61 HydrophobicContact CB-CB 4.43Å; M58-V61 PolarHBondContact O-N 2.84Å; M58-V62 HydrophobicContact CG-CB 4.4Å; M58-V62 HydrophobicContact CG-CG2 3.84Å; M58-V62 PolarHBondContact O-N 3.14Å; M58-V62 HydrophobicContact SD-CG2 3.91Å
59P96.8Very high96.2Very high73 Ų7365.8 Ų65.847%0.47433%0.328SS..THydrogen-bonded Turntrans-68-13.1-17631.5-37.9000114.2A57 V61 K77A57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-V61 VanDerWaalsContact C-N 3.31Å; P59-K77 WeakPolarHBondContact O-CD 3.15Å; P59-K77 PolarHBondContact O-NZ 3.43Å
60D95.5Very high96.2Very high117 Ų11759.1 Ų59.163%0.62631%0.309SS*.THydrogen-bonded Turntrans-77.1-22.5173.7-63.9-33.3000112.3M58 K77M58-D60 PolarHBondContact O-N 3.19Å; M58-D60 VanDerWaalsContact O-N 3.13Å; D60-K77 WeakPolarHBondContact O-CD 3.36Å
61V95.7Very high96.2Very high18 Ų1860 Ų6011%0.10931%0.312CS..THydrogen-bonded Turntrans-109.9-33.9-174.8179.10000111.7P10 H14 M58 P59 K77P10-V61 HydrophobicContact CB-CG2 3.91Å; P10-V61 WeakPolarHBondContact O-CG1 3.39Å; H14-V61 HydrophobicContact CB-CG1 3.49Å; H14-V61 VanDerWaalsContact CB-CG1 3.49Å; M58-V61 HydrophobicContact CB-CB 4.43Å; M58-V61 PolarHBondContact O-N 2.84Å; P59-V61 VanDerWaalsContact C-N 3.31Å; V61-K77 WeakPolarHBondContact O-CB 3.44Å; V61-K77 PolarHBondContact O-N 3.28Å
62V97.5Very high96.2Very high6 Ų661.7 Ų61.74%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-124129.8-171.4-173.60000110.8V13 L17 M55 M58 I64 Y74 V75V13-V62 HydrophobicContact CG1-CG2 3.9Å; L17-V62 HydrophobicContact CD1-CB 4.34Å; L17-V62 HydrophobicContact CD1-CG1 3.93Å; L17-V62 HydrophobicContact CD1-CG2 3.6Å; M55-V62 HydrophobicContact CB-CG1 4.43Å; M55-V62 HydrophobicContact SD-CB 4.34Å; M55-V62 HydrophobicContact SD-CG1 3.95Å; M55-V62 HydrophobicContact SD-CG2 3.79Å; M58-V62 HydrophobicContact CG-CB 4.4Å; M58-V62 HydrophobicContact CG-CG2 3.84Å; M58-V62 PolarHBondContact O-N 3.14Å; M58-V62 HydrophobicContact SD-CG2 3.91Å; V62-I64 HydrophobicContact CG1-CG1 4.43Å; V62-Y74 HydrophobicContact CG1-CD1 4.17Å; V62-V75 WeakPolarHBondContact CA-O 3.21Å
63E97.5Very high96.2Very high74 Ų7460.6 Ų60.635%0.34631%0.311SS..EExtended strand (participates in β ladder)trans-102.1122.6167.6-172.6-168.615700108.6R65 V75E63-R65 VanDerWaalsContact CD-NH2 3.29Å; E63-R65 HydrophobicContact CG-CG 4.46Å; E63-R65 IonicContact OE1-CZ 2.63Å; E63-R65 VanDerWaalsContact OE1-CZ 3.31Å; E63-R65 IonicContact OE1-NE 2.82Å; E63-R65 PolarHBondContact OE1-NE 3.45Å; E63-R65 IonicContact OE1-NH2 2.68Å; E63-R65 PolarHBondContact OE1-NH2 3.42Å; E63-R65 IonicContact OE2-CZ 3.89Å; E63-R65 IonicContact OE2-NE 2.76Å; E63-R65 IonicContact OE2-NH2 2.8Å; E63-R65 PolarHBondContact OE2-NH2 2.99Å; E63-V75 HydrophobicContact CB-CB 4.33Å; E63-V75 PolarHBondContact N-O 2.81Å; E63-V75 PolarHBondContact O-N 3.17Å
64I97.9Very high96.3Very high56 Ų5658.9 Ų58.929%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-94119.2179-53.6178.6000108.8M55 R56 V62 E72 L73 Y74M55-I64 HydrophobicContact CB-CD1 4.26Å; R56-I64 HydrophobicContact CB-CD1 4.39Å; R56-I64 HydrophobicContact CG-CD1 3.4Å; V62-I64 HydrophobicContact CG1-CG1 4.43Å; I64-E72 HydrophobicContact CG2-CB 4.14Å; I64-E72 HydrophobicContact CG2-CG 4.21Å; I64-L73 WeakPolarHBondContact CA-O 3.41Å; I64-Y74 HydrophobicContact CD1-CE1 4.26Å; I64-Y74 HydrophobicContact CG1-CD1 4.05Å; I64-Y74 HydrophobicContact CG1-CE1 4.23Å; I64-Y74 HydrophobicContact CG2-CE1 4.39Å
65R96.7Very high96.3Very high76 Ų7659.3 Ų59.329%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-111.5163.6175.5-64-168.8179.5162.27.3110.5E63 E72 L73 V75E63-R65 VanDerWaalsContact CD-NH2 3.29Å; E63-R65 HydrophobicContact CG-CG 4.46Å; E63-R65 IonicContact OE1-CZ 2.63Å; E63-R65 VanDerWaalsContact OE1-CZ 3.31Å; E63-R65 IonicContact OE1-NE 2.82Å; E63-R65 PolarHBondContact OE1-NE 3.45Å; E63-R65 IonicContact OE1-NH2 2.68Å; E63-R65 PolarHBondContact OE1-NH2 3.42Å; E63-R65 IonicContact OE2-CZ 3.89Å; E63-R65 IonicContact OE2-NE 2.76Å; E63-R65 IonicContact OE2-NH2 2.8Å; E63-R65 PolarHBondContact OE2-NH2 2.99Å; R65-E72 CarbonylContact O-C 3.54Å; R65-E72 WeakPolarHBondContact O-CA 3.21Å; R65-L73 PolarHBondContact N-O 2.89Å; R65-L73 PolarHBondContact O-N 3.38Å; R65-V75 HydrophobicContact CG-CG2 4.13Å
66K96.4Very high96.3Very high142 Ų14259.9 Ų59.962%0.61731%0.306SS*.EExtended strand (participates in β ladder)trans-114.2134.9169.1-67-173178.2-173.30109.9E71K66-E71 VanDerWaalsContact CA-O 3.29Å; K66-E71 WeakPolarHBondContact CA-O 3.41Å
67N93.7Very high96.2Very high15 Ų1558.3 Ų58.38%0.0830%0.302CS..  trans-76.1178.8171.172.16.6000110.8Q69 G70 E71 L73 F103N67-Q69 PolarHBondContact O-N 2.83Å; N67-Q69 WeakPolarHBondContact OD1-CA 3.42Å; N67-Q69 WeakPolarHBondContact OD1-CB 3.47Å; N67-Q69 PolarHBondContact OD1-N 2.86Å; N67-G70 PolarHBondContact O-N 3.42Å; N67-G70 PolarHBondContact OD1-N 2.77Å; N67-E71 PolarHBondContact N-O 2.86Å; N67-E71 PolarHBondContact ND2-OE2 2.81Å; N67-E71 PolarHBondContact OD1-N 2.88Å; N67-L73 HydrophobicContact CB-CD1 4.11Å; N67-F103 HydrophobicContact CB-CE1 3.96Å
68K92.7Very high95.8Very high133 Ų13358.6 Ų58.658%0.57830%0.298SS*.THydrogen-bonded Turntrans-61.8-23176.8-69.7-174.7178.4159.90113.8G70 A101 E102K68-G70 VanDerWaalsContact C-N 3.29Å; K68-A101 PolarHBondContact NZ-O 3.37Å; K68-E102 HydrophobicContact CD-CB 4Å; K68-E102 HydrophobicContact CD-CG 3.82Å; K68-E102 WeakPolarHBondContact CE-O 3.09Å; K68-E102 HydrophobicContact CG-CB 4.14Å; K68-E102 HydrophobicContact CG-CG 4.41Å; K68-E102 VanDerWaalsContact CG-O 3.27Å; K68-E102 WeakPolarHBondContact CG-O 3.2Å
69Q94.4Very high95.6Very high130 Ų13060.9 Ų60.961%0.60731%0.31SS*.THydrogen-bonded Turntrans-84.7-4.6178.3-60.3177.5-28.100112.2N67 E71N67-Q69 PolarHBondContact O-N 2.83Å; N67-Q69 WeakPolarHBondContact OD1-CA 3.42Å; N67-Q69 WeakPolarHBondContact OD1-CB 3.47Å; N67-Q69 PolarHBondContact OD1-N 2.86Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 HydrophobicContact CB-CG 4.21Å; Q69-E71 PolarHBondContact OE1-OE2 3.14Å
70G95.7Very high95.1Very high45 Ų4564 Ų6446%0.46432%0.319SS..SBendtrans82.93.9-177.400000114.6N67 K68N67-G70 PolarHBondContact O-N 3.42Å; N67-G70 PolarHBondContact OD1-N 2.77Å; K68-G70 VanDerWaalsContact C-N 3.29Å
71E95.6Very high94.7Very high78 Ų7863.5 Ų63.536%0.36432%0.324SS..  trans-74.3141.4176.2-52.2176.5136.700110.5K25 K66 N67 Q69K25-E71 VanDerWaalsContact CE-OE2 3.29Å; K25-E71 WeakPolarHBondContact CE-OE2 3.45Å; K25-E71 IonicContact NZ-OE1 2.89Å; K25-E71 IonicContact NZ-OE2 3.9Å; K25-E71 PolarHBondContact NZ-OE2 3.46Å; K66-E71 VanDerWaalsContact CA-O 3.29Å; K66-E71 WeakPolarHBondContact CA-O 3.41Å; N67-E71 PolarHBondContact N-O 2.86Å; N67-E71 PolarHBondContact ND2-OE2 2.81Å; N67-E71 PolarHBondContact OD1-N 2.88Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 HydrophobicContact CB-CG 4.21Å; Q69-E71 PolarHBondContact OE1-OE2 3.14Å
72E97Very high94.3Very high50 Ų5063.8 Ų63.823%0.23433%0.326CS..EExtended strand (participates in β ladder)trans-74.9131.9176.2-64.5-174.116200111.1R56 I64 R65 Y74R56-E72 IonicContact CZ-OE1 3.31Å; R56-E72 IonicContact NH2-OE1 2.99Å; R56-E72 PolarHBondContact NH2-OE1 2.9Å; R56-E72 IonicContact NH2-OE2 3.7Å; R56-E72 PolarHBondContact NH2-OE2 2.92Å; I64-E72 HydrophobicContact CG2-CB 4.14Å; I64-E72 HydrophobicContact CG2-CG 4.21Å; R65-E72 CarbonylContact O-C 3.54Å; R65-E72 WeakPolarHBondContact O-CA 3.21Å; E72-Y74 PolarHBondContact OE2-OH 3.23Å
73L97.7Very high93.9Very high9 Ų969.6 Ų69.65%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-116.7133.4171.2-66.4178.8000109.5K25 I64 R65 N67 F103K25-L73 HydrophobicContact CB-CD2 4.43Å; K25-L73 HydrophobicContact CG-CD2 3.61Å; I64-L73 WeakPolarHBondContact CA-O 3.41Å; R65-L73 PolarHBondContact N-O 2.89Å; R65-L73 PolarHBondContact O-N 3.38Å; N67-L73 HydrophobicContact CB-CD1 4.11Å; L73-F103 HydrophobicContact CD1-CD1 4.26Å; L73-F103 HydrophobicContact CD1-CE1 3.17Å; L73-F103 HydrophobicContact CD1-CZ 3.45Å; L73-F103 VanDerWaalsContact CD1-CZ 3.45Å
74Y98.1Very high93.3Very high8 Ų869.9 Ų69.93%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-95.4120.2177.5-52.8-66.9000108.7L17 G23 A24 L51 P52 M55 V62 I64 E72L17-Y74 WeakPolarHBondContact CD2-O 3.32Å; G23-Y74 CarbonylContact C-O 3.5Å; G23-Y74 WeakPolarHBondContact CA-O 3.43Å; A24-Y74 PolarHBondContact N-O 3.42Å; A24-Y74 PolarHBondContact O-N 2.8Å; L51-Y74 HydrophobicContact CD2-CE2 4.01Å; L51-Y74 HydrophobicContact CG-CE2 4.42Å; P52-Y74 WeakPolarHBondContact CG-OH 3.24Å; M55-Y74 HydrophobicContact CB-CD1 3.67Å; M55-Y74 HydrophobicContact CB-CE1 3.6Å; M55-Y74 HydrophobicContact CE-CG 4.48Å; M55-Y74 HydrophobicContact CG-CD1 3.57Å; M55-Y74 HydrophobicContact CG-CE1 3.63Å; M55-Y74 HydrophobicContact CG-CG 4.08Å; M55-Y74 HydrophobicContact SD-CD1 4.2Å; M55-Y74 HydrophobicContact SD-CG 4.32Å; V62-Y74 HydrophobicContact CG1-CD1 4.17Å; I64-Y74 HydrophobicContact CD1-CE1 4.26Å; I64-Y74 HydrophobicContact CG1-CD1 4.05Å; I64-Y74 HydrophobicContact CG1-CE1 4.23Å; I64-Y74 HydrophobicContact CG2-CE1 4.39Å; E72-Y74 PolarHBondContact OE2-OH 3.23Å
75V97.1Very high92.7Very high13 Ų1371.5 Ų71.58%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-114.8135.5180-175.80000108.5V62 E63 R65 K77V62-V75 WeakPolarHBondContact CA-O 3.21Å; E63-V75 HydrophobicContact CB-CB 4.33Å; E63-V75 PolarHBondContact N-O 2.81Å; E63-V75 PolarHBondContact O-N 3.17Å; R65-V75 HydrophobicContact CG-CG2 4.13Å; V75-K77 PolarHBondContact O-N 3.39Å
76A96.7Very high92.1Very high12 Ų1271.4 Ų71.410%0.09937%0.369CS..EExtended strand (participates in β ladder)trans-65.9127172.400000110.3L17 L18L17-A76 HydrophobicContact CB-CB 3.7Å; L18-A76 HydrophobicContact CD2-CB 4.27Å; L18-A76 HydrophobicContact CG-CB 3.98Å
77K95.7Very high91.6Very high91 Ų9170.7 Ų70.740%0.39637%0.368SS..PPolyproline II helixtrans-73.3131.5171-157.8-177.9-165.3172.60108.8H14 P59 D60 V61 V75 L79H14-K77 PolarHBondContact NE2-O 2.91Å; P59-K77 WeakPolarHBondContact O-CD 3.15Å; P59-K77 PolarHBondContact O-NZ 3.43Å; D60-K77 WeakPolarHBondContact O-CD 3.36Å; V61-K77 WeakPolarHBondContact O-CB 3.44Å; V61-K77 PolarHBondContact O-N 3.28Å; V75-K77 PolarHBondContact O-N 3.39Å; K77-L79 PolarHBondContact O-N 3.41Å; K77-L79 VanDerWaalsContact O-N 3.14Å
78T88.8Confident91.2Very high65 Ų6575.3 Ų75.340%0.39939%0.392SS..PPolyproline II helixtrans-66116.1179.3-51.40000110.5R83 Q86T78-R83 HydrophobicContact CG2-CB 4.46Å; T78-Q86 PolarHBondContact OG1-NE2 3.06Å; T78-Q86 PolarHBondContact OG1-OE1 3.07Å
79L90.2Very high90.8Very high67 Ų6770.1 Ų70.135%0.35137%0.372SS..PPolyproline II helixtrans-91.5147166-60.3174.6000109K77 S81 T82 R83K77-L79 PolarHBondContact O-N 3.41Å; K77-L79 VanDerWaalsContact O-N 3.14Å; L79-S81 PolarHBondContact O-N 3.18Å; L79-S81 VanDerWaalsContact O-N 3.16Å; L79-T82 PolarHBondContact N-OG1 3.44Å; L79-T82 PolarHBondContact O-N 3.49Å; L79-T82 PolarHBondContact O-OG1 2.97Å; L79-R83 PolarHBondContact O-N 2.84Å
80E87.5Confident90.2Very high140 Ų14066.4 Ų66.465%0.65436%0.363SS*.G310 helixtrans-56.7-35.7-178.6-163.461-152.400111.8T82 R83E80-T82 PolarHBondContact O-N 3.46Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 2.86Å; E80-R83 IonicContact OE1-NH1 3.83Å; E80-R83 PolarHBondContact OE1-NH1 2.99Å; E80-R83 IonicContact OE2-NH1 3.92Å
81S85.9Confident89.6Confident106 Ų10667.1 Ų67.174%0.74137%0.371SS*.G310 helixtrans-63.9-22.7175.454.10000114.3L79L79-S81 PolarHBondContact O-N 3.18Å; L79-S81 VanDerWaalsContact O-N 3.16Å
82T87.5Confident88.8Confident24 Ų2468.1 Ų68.115%0.14738%0.375CS..G310 helixtrans-109.82.2-174.560.40000113.7H14 L18 L79 E80 S84 L85 Q86H14-T82 PolarHBondContact CE1-OG1 3.26Å; L18-T82 HydrophobicContact CD1-CG2 4.05Å; L79-T82 PolarHBondContact N-OG1 3.44Å; L79-T82 PolarHBondContact O-N 3.49Å; L79-T82 PolarHBondContact O-OG1 2.97Å; E80-T82 PolarHBondContact O-N 3.46Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 2.54Å; T82-L85 PolarHBondContact O-N 2.74Å; T82-L85 VanDerWaalsContact O-N 3.15Å; T82-Q86 PolarHBondContact O-N 2.9Å
83R88.1Confident87.6Confident127 Ų12777.2 Ų77.248%0.47941%0.407SS..Hα-helixtrans-57.9-41-176.7-169.6176.9-173.6162.22.6113.1T78 L79 E80 Q86 Q87T78-R83 HydrophobicContact CG2-CB 4.46Å; L79-R83 PolarHBondContact O-N 2.84Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 2.86Å; E80-R83 IonicContact OE1-NH1 3.83Å; E80-R83 PolarHBondContact OE1-NH1 2.99Å; E80-R83 IonicContact OE2-NH1 3.92Å; R83-Q86 PolarHBondContact O-N 3.42Å; R83-Q87 WeakPolarHBondContact O-CG 3.17Å; R83-Q87 PolarHBondContact O-N 3.21Å
84S86.4Confident85.8Confident81 Ų8179.3 Ų79.357%0.56643%0.426SS*.Hα-helixtrans-65.5-42.4177.7-179.20000111.9T82 Q86 Q87 L88T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 2.54Å; S84-Q86 PolarHBondContact O-N 3.49Å; S84-Q87 PolarHBondContact O-N 3.2Å; S84-L88 WeakPolarHBondContact O-CG 3.13Å; S84-L88 PolarHBondContact O-N 3.4Å; S84-L88 VanDerWaalsContact O-N 3.11Å
85L85.1Confident83.8Confident90 Ų9087 Ų8747%0.47146%0.459SS..Hα-helixtrans-63.5-43176.3-164.985.8000111L18 T82 Q87 L88 V89L18-L85 HydrophobicContact CB-CD2 4.4Å; L18-L85 HydrophobicContact CD1-CD2 3.97Å; T82-L85 PolarHBondContact O-N 2.74Å; T82-L85 VanDerWaalsContact O-N 3.15Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.07Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.18Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-V89 WeakPolarHBondContact O-CG2 3.25Å; L85-V89 PolarHBondContact O-N 3.22Å
86Q84.6Confident81.9Confident73 Ų7391.6 Ų91.634%0.34148%0.484SS..Hα-helixtrans-62.1-37.5177.2-167.4-17216.900112.1L18 T78 T82 R83 S84 L88 V89 A90L18-Q86 HydrophobicContact CD2-CB 4.41Å; T78-Q86 PolarHBondContact OG1-NE2 3.06Å; T78-Q86 PolarHBondContact OG1-OE1 3.07Å; T82-Q86 PolarHBondContact O-N 2.9Å; R83-Q86 PolarHBondContact O-N 3.42Å; S84-Q86 PolarHBondContact O-N 3.49Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-V89 PolarHBondContact O-N 2.95Å; Q86-A90 WeakPolarHBondContact O-CB 3.48Å; Q86-A90 PolarHBondContact O-N 2.87Å
87Q86Confident79.7Confident128 Ų12897.7 Ų97.760%0.59851%0.514SS*.Hα-helixtrans-63.4-39.9174.1-74.5175.8-7.300111.8R83 S84 L85 A90 G91R83-Q87 WeakPolarHBondContact O-CG 3.17Å; R83-Q87 PolarHBondContact O-N 3.21Å; S84-Q87 PolarHBondContact O-N 3.2Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.07Å; Q87-A90 PolarHBondContact O-N 3.49Å; Q87-G91 PolarHBondContact O-N 3.44Å
88L84.5Confident77.9Confident112 Ų11299 Ų9959%0.58652%0.52SS*.Hα-helixtrans-63.7-48.5175.1-67.8170.7000111.4S84 L85 Q86 A90 G91 Q92S84-L88 WeakPolarHBondContact O-CG 3.13Å; S84-L88 PolarHBondContact O-N 3.4Å; S84-L88 VanDerWaalsContact O-N 3.11Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.18Å; L85-L88 VanDerWaalsContact O-N 3.12Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 2.84Å; L88-G91 PolarHBondContact O-N 2.85Å; L88-G91 VanDerWaalsContact O-N 3.13Å; L88-Q92 PolarHBondContact O-N 3.12Å; L88-Q92 VanDerWaalsContact O-N 3.08Å
89V83.5Confident76.2Confident24 Ų24102.3 Ų102.315%0.14553%0.529CS..Hα-helixtrans-64.1-35.7176.8177.50000111.3L85 Q86 G91 Q92L85-V89 WeakPolarHBondContact O-CG2 3.25Å; L85-V89 PolarHBondContact O-N 3.22Å; Q86-V89 PolarHBondContact O-N 2.95Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 2.94Å; V89-Q92 WeakPolarHBondContact O-CB 3.43Å; V89-Q92 PolarHBondContact O-N 2.83Å
90A82.3Confident74.5Confident51 Ų51109.7 Ų109.742%0.42155%0.552SS.*Hα-helixtrans-67-32.6175.500000112.4K21 Q86 Q87 L88K21-A90 PolarHBondContact NZ-O 3.37Å; Q86-A90 WeakPolarHBondContact O-CB 3.48Å; Q86-A90 PolarHBondContact O-N 2.87Å; Q87-A90 PolarHBondContact O-N 3.49Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 2.84Å
91G82.9Confident73Confident61 Ų61106.9 Ų106.963%0.62955%0.553SS**Hα-helixtrans-74.9-24.1174.900000113.9Q87 L88 V89 R93Q87-G91 PolarHBondContact O-N 3.44Å; L88-G91 PolarHBondContact O-N 2.85Å; L88-G91 VanDerWaalsContact O-N 3.13Å; V89-G91 VanDerWaalsContact C-N 3.3Å; V89-G91 PolarHBondContact O-N 2.94Å; G91-R93 PolarHBondContact O-N 2.76Å
92Q80.3Confident71.7Confident99 Ų99103.6 Ų103.646%0.46353%0.526SS..SBendtrans-61.4124.3171.5-71.1174.5-20.200109.3L88 V89 A94L88-Q92 PolarHBondContact O-N 3.12Å; L88-Q92 VanDerWaalsContact O-N 3.08Å; V89-Q92 WeakPolarHBondContact O-CB 3.43Å; V89-Q92 PolarHBondContact O-N 2.83Å; Q92-A94 PolarHBondContact O-N 3.05Å
93R71Confident70.1Confident241 Ų241105.4 Ų105.491%0.90953%0.532SS*.  trans-72.684.7172.6-68.7-175.3179.9-168.50.7107.2G91 K95G91-R93 PolarHBondContact O-N 2.76Å; R93-K95 PolarHBondContact O-N 3.32Å
94A58.9Low68.4Low52 Ų52108.9 Ų108.943%0.4355%0.55SS.*  trans-55.3122.7-18000000109.8K21 Q92K21-A94 HydrophobicContact CD-CB 4.47Å; Q92-A94 PolarHBondContact O-N 3.05Å
95K57.6Low66.6Low171 Ų171109.3 Ų109.374%0.74355%0.55SS*.  trans-82.86.6167.8-153.3-179.6-179.8-176.60111.7R93 D97R93-K95 PolarHBondContact O-N 3.32Å; K95-D97 PolarHBondContact O-N 3.18Å
96D56.4Low64.8Low109 Ų109114.8 Ų114.858%0.58356%0.564SS**  trans-70.482.4165.8-78.4-22.9000108.4F98D96-F98 PolarHBondContact O-N 3.17Å
97D51Low63Low139 Ų139116.4 Ų116.474%0.74358%0.583SS**  trans-66.724.4174.3-74.3-37000112.9K95 K99K95-D97 PolarHBondContact O-N 3.18Å; D97-K99 PolarHBondContact O-N 3.38Å
98F56.8Low61Low120 Ų120116.6 Ų116.653%0.52658%0.584SS.*SBendtrans-7280.3161.6-109.2-81.9000109D96 R100D96-F98 PolarHBondContact O-N 3.17Å; F98-R100 PolarHBondContact O-N 3.2Å
99K53.3Low59.3Low134 Ų134118.3 Ų118.358%0.58359%0.594SS**  trans20.587158.1-62.2-177.8-178.8177.90113.5D97 A101 E102D97-K99 PolarHBondContact O-N 3.38Å; K99-A101 PolarHBondContact O-N 2.87Å; K99-E102 HydrophobicContact CB-CG 3.98Å; K99-E102 HydrophobicContact CD-CG 4.41Å; K99-E102 PolarHBondContact O-N 3.22Å
100R54.6Low57.6Low221 Ų221122.8 Ų122.883%0.83462%0.623SS**THydrogen-bonded Turntrans-46.4-15.7166.6-146.8176.2-173.1-176.10.2113.9F98F98-R100 PolarHBondContact O-N 3.2Å
101A55.9Low56.2Low81 Ų81128.5 Ų128.567%0.66964%0.641SS**THydrogen-bonded Turntrans-83.2-1.8177.700000115.6K68 K99K68-A101 PolarHBondContact NZ-O 3.37Å; K99-A101 PolarHBondContact O-N 2.87Å
102E58.5Low54.7Low37 Ų37131 Ų13117%0.17365%0.646CS.*  trans-96.3-12.6-172-67.2-16116600117.4K68 K99 K104K68-E102 HydrophobicContact CD-CB 4Å; K68-E102 HydrophobicContact CD-CG 3.82Å; K68-E102 WeakPolarHBondContact CE-O 3.09Å; K68-E102 HydrophobicContact CG-CB 4.14Å; K68-E102 HydrophobicContact CG-CG 4.41Å; K68-E102 VanDerWaalsContact CG-O 3.27Å; K68-E102 WeakPolarHBondContact CG-O 3.2Å; K99-E102 HydrophobicContact CB-CG 3.98Å; K99-E102 HydrophobicContact CD-CG 4.41Å; K99-E102 PolarHBondContact O-N 3.22Å; E102-K104 PolarHBondContact O-N 3.41Å
103F54.7Low53.7Low62 Ų62134.2 Ų134.227%0.27267%0.666SS.*  trans-99.5101.8-175.2-58.1-65.7000112.5N22 N67 L73N22-F103 HydrophobicContact CB-CE2 3.98Å; N67-F103 HydrophobicContact CB-CE1 3.96Å; L73-F103 HydrophobicContact CD1-CD1 4.26Å; L73-F103 HydrophobicContact CD1-CE1 3.17Å; L73-F103 HydrophobicContact CD1-CZ 3.45Å; L73-F103 VanDerWaalsContact CD1-CZ 3.45Å
104K51.5Low53.5Low200 Ų200128 Ų12887%0.8766%0.656SS**  trans-8699.9158.3-87-176.3174.1-177.70107.7E102 R106E102-K104 PolarHBondContact O-N 3.41Å; K104-R106 PolarHBondContact O-N 2.76Å
105T49.5Very low53.6Low90 Ų90131.2 Ų131.255%0.55267%0.673SS**  trans-64.6101.9170.2-42.10000108S107T105-S107 PolarHBondContact O-N 2.87Å
106R47.7Very low53.2Low205 Ų205133.2 Ų133.277%0.77468%0.682SS**  trans-76.965173.1-164.1179.5-175.8179.40.8108.9K104 Q108K104-R106 PolarHBondContact O-N 2.76Å; R106-Q108 HydrophobicContact CG-CB 4.31Å; R106-Q108 HydrophobicContact CG-CG 3.82Å; R106-Q108 VanDerWaalsContact NH2-OE1 3.13Å; R106-Q108 PolarHBondContact O-N 3.34Å; R106-Q108 VanDerWaalsContact O-N 3.09Å
107S46.6Very low53.6Low107 Ų107136.9 Ų136.975%0.74870%0.695SS**  trans-78.577.2157.3-174.70000106.2T105 L109T105-S107 PolarHBondContact O-N 2.87Å; S107-L109 PolarHBondContact O-N 3.01Å
108Q44.2Very low53.7Low132 Ų132135.9 Ų135.962%0.61770%0.697SS**  trans-86.689.4166.5-79.2-173.4-21.900106.8R106R106-Q108 HydrophobicContact CG-CB 4.31Å; R106-Q108 HydrophobicContact CG-CG 3.82Å; R106-Q108 VanDerWaalsContact NH2-OE1 3.13Å; R106-Q108 PolarHBondContact O-N 3.34Å; R106-Q108 VanDerWaalsContact O-N 3.09Å
109L47.6Very low53.3Low149 Ų149138.4 Ų138.478%0.7871%0.714SS**  trans-56.3137.8144.7-16673.2000106.6S107 E111S107-L109 PolarHBondContact O-N 3.01Å; L109-E111 PolarHBondContact O-N 3.21Å
110P48.8Very low53.6Low118 Ų118138.7 Ų138.777%0.76673%0.726SS**  trans-59.4108.9-176.3-18.730.1000110
111E53.2Low53.8Low171 Ų171134.6 Ų134.680%0.79972%0.721SS**PPolyproline II helixtrans-70.1131.6174.3-161.1164-170.200108.1L109 L113L109-E111 PolarHBondContact O-N 3.21Å; E111-L113 PolarHBondContact O-N 2.9Å
112P51.6Low53.3Low113 Ų113136.4 Ų136.473%0.73473%0.726SS**PPolyproline II helixtrans-59.3132.4-179.4-17.729.4000110
113L59.4Low53Low167 Ų167145.1 Ų145.187%0.87476%0.757SS**PPolyproline II helixtrans-47.9125.1179.6-69.1165.3000111.3E111E111-L113 PolarHBondContact O-N 2.9Å
114P66.7Low52.9Low110 Ų110150.5 Ų150.571%0.71479%0.788SS**PPolyproline II helixtrans-72145.2169.928.8-31.2000109.8K116P114-K116 PolarHBondContact O-N 2.85Å
115P59.3Low53Low120 Ų120149.2 Ų149.278%0.77979%0.79SS**PPolyproline II helixtrans-65131.1176.826.2-31.3000110.3Q117P115-Q117 PolarHBondContact O-N 2.93Å
116K49.3Very low53.8Low213 Ų213150.6 Ų150.693%0.92680%0.8SS**  trans-37.3118.8171.7-91172.7168.8175.40111.5P114P114-K116 PolarHBondContact O-N 2.85Å
117Q66.5Low54.2Low185 Ų185146.7 Ų146.786%0.86480%0.801SS**PPolyproline II helixtrans-103.1150.6159.6-75.9-167.9-1900111.1P115P115-Q117 PolarHBondContact O-N 2.93Å
118P52.2Low54.5Low119 Ų119145.8 Ų145.877%0.77380%0.8SS**PPolyproline II helixtrans-81.6150-168.2-4.624.7000112.5
119I48.6Very low55.1Low172 Ų172148.7 Ų148.788%0.88281%0.814SS**PPolyproline II helixtrans-46.9124.6174.3-63.5153000111.8
120V59.2Low55.2Low141 Ų141147.1 Ų147.186%0.85581%0.812SS**  trans-136.6136.7162.3-174.70000110.4
121D58.6Low55.2Low134 Ų134146.1 Ų146.172%0.71782%0.815SS**  trans-45141-167.5-114.4-49.5000119.2
122P46.4Very low55.1Low119 Ų119144.7 Ų144.777%0.77382%0.822SS**  trans-92.7105.1171.233.2-26.6000111.9
123R51.6Low55.1Low221 Ų221143.4 Ų143.483%0.83482%0.82SS**  trans-141.9143.1161.3-70.8-171.9177.4-179.7-1110.5
124L51.8Low55.4Low174 Ų174145.1 Ų145.191%0.91182%0.821SS**  trans103.877.3168.6-54.3165.6000116.1
125L54.9Low54.3Low174 Ų174145.5 Ų145.591%0.91182%0.823SS**  trans-93.7149.3144.3-85163.7000109.1
126P65.8Low54.1Low118 Ų118147.9 Ų147.977%0.76683%0.828SS**  trans-125.5153.8141.732-19.5000113
127P55.3Low54.1Low124 Ų124141.9 Ų141.981%0.80582%0.818SS**  trans-107.2173.5-171.540.4-32.3000115
128A52.6Low53.5Low88 Ų88140.3 Ų140.373%0.72782%0.82SS**  trans84.6125.2151.800000119.1
129Q57.3Low53.8Low192 Ų192138.8 Ų138.890%0.89782%0.818SS**  178.1163.290.7-89.5-167.2-6.300113.3
130P50.8Low54Low116 Ų116136.3 Ų136.375%0.75381%0.813SS**  trans-120.6175.6-157.641-26.6000116.6
131A48Very low53.8Low98 Ų98138.7 Ų138.781%0.8181%0.812SS**  trans70.3121.8146.600000121.5
132C51.9Low53.6Low140 Ų140139.5 Ų139.595%0.94681%0.809SS**  trans-156.6134.8134.2-135.20000112.5
133A51.8Low53.9Low86 Ų86142.8 Ų142.871%0.71181%0.811SS**  trans-96.5162.5-175.100000112.8
134K63.9Low54.1Low203 Ų203136.6 Ų136.688%0.88381%0.807SS**  171.4139.9124.2-91.6165.9-170-176.90113.1
135P45.2Very low54.1Low118 Ų118138.1 Ų138.177%0.76681%0.807SS**  trans-109.1155.417338.7-29000112.8
136I54.5Low54.1Low171 Ų171140 Ų14088%0.87781%0.807SS**  trans-144.9131.3160.1-61.7-176.1000110.6
137A49.2Very low53.4Low87 Ų87144.3 Ų144.372%0.71981%0.814SS**  trans-89.2151.6177.500000112.8
138V54.9Low53.3Low151 Ų151148.7 Ų148.792%0.91582%0.821SS**  trans-151.8135144.6-175.50000110.8
139A57.8Low53.3Low88 Ų88153.9 Ų153.973%0.72783%0.827SS**  trans-92.6-179.2-169.900000114.3
140P53.6Low53Low119 Ų119153.9 Ų153.977%0.77382%0.823SS**  trans-107.5167.2-153.641.4-36.3000116
141K55Low52.8Low191 Ų191157.3 Ų157.383%0.8383%0.827SS**  trans-157.9152.9166.1-71.1-175.5-175.3164.70107.3
142K53Low52.8Low152 Ų152162.7 Ų162.766%0.66183%0.832SS**  cis176.9149.6-7-108.9173.9176.4177.90105
143K53.2Low52.8Low188 Ų188164.8 Ų164.882%0.81783%0.825SS**  trans72.5150.1146.2-65.8169.3179.3-172.10117.2
144A54.6Low52.6Low90 Ų90170.3 Ų170.374%0.74483%0.833SS**  cis-166148.53.300000111.5
145K53.2Low51.8Low207 Ų207168 Ų16890%0.983%0.83SS**  trans8.5129.8143.4-74.9170.6169.2171.20119.1
146K55.4Low51.7Low213 Ų213168 Ų16893%0.92683%0.832SS**  -155112.9126.6-127.1169.7-176.4171.20113.4
147K50.5Low51.3Low209 Ų209163.3 Ų163.391%0.90983%0.826SS**  trans-69.8139.6162-86.9174168.31730109.4
148K53.3Low50.9Low216 Ų216166.9 Ų166.994%0.93983%0.833SS**  trans-141.8111151.5-121.1179.4-178.8-178.50111.3
149K51.4Low50.4Low197 Ų197167.9 Ų167.986%0.85783%0.832SS**  trans-79165.2162.4-94.9179.2169.5-179.20109.6
150K51Low49.6Very low191 Ų191170.2 Ų170.283%0.8383%0.833SS**  trans110136.5164.3-67.5175.8173.7178.10111.2
151K48.6Very low49.1Very low188 Ų188172.4 Ų172.482%0.81784%0.837SS**  cis-163.8133.26.6-127.1175.3174.2-174.90105.7
152K47.3Very low48.6Very low211 Ų211169 Ų16992%0.91783%0.834SS**  trans-66.8134.9161.6-83.2177170.9176.10108.6
153K52.1Low48.2Very low185 Ų185168.3 Ų168.380%0.80484%0.842SS**  trans-131106.8161.6-153.9177.3-176.1-174.60107.8
154K46.5Very low47.8Very low202 Ų202168.5 Ų168.588%0.87885%0.846SS**  trans-74.4134.6163.3-79.2-179.5171-175.50107.2
155L47.7Very low47.2Very low155 Ų155168.7 Ų168.781%0.81285%0.848SS**  trans-128.8102.5163-99.8148.4000106.3
156S43.8Very low46.7Very low116 Ų116162.8 Ų162.881%0.81184%0.838SS**  trans-84.5126.6161.2500000107.4
157G45.9Very low46.5Very low73 Ų73160.6 Ų160.675%0.75384%0.836SS**  trans-142.395.2171.700000108.6
158N40.5Very low46.3Very low162 Ų162155.4 Ų155.487%0.86683%0.832SS**  trans-70.6129.7164.3-82-19.9000108.1
159L43.1Very low46.6Very low173 Ų173152.6 Ų152.691%0.90683%0.826SS**  trans-125.7105.3163.2-102150.2000106.8
160N42.1Very low46.9Very low137 Ų137148.3 Ų148.373%0.73382%0.818SS**  trans-89.9161.8164.3-82-33.2000109.3
161L43.8Very low46.9Very low165 Ų165144.4 Ų144.486%0.86481%0.812SS**  trans97.4148.9159.4-55.1171.4000116.3
162P43.6Very low47.1Very low118 Ų118141.2 Ų141.277%0.76681%0.811SS**  cis-131.8168.8-23.927.9-6.8000113.9
163V45.3Very low46.9Very low139 Ų139135.4 Ų135.484%0.84280%0.802SS**  trans-84.6118.9169.2170.90000108.9
164E43.8Very low46.6Very low191 Ų191131.7 Ų131.789%0.89380%0.797SS**  trans173.7140.9158.7-109.6175.9145.100106.1
165A42.3Very low46.4Very low94 Ų94131 Ų13178%0.77780%0.797SS**  cis-151.2156.81800000109.9
166A43.6Very low46.3Very low84 Ų84128.3 Ų128.369%0.69480%0.797SS**  trans-67163173.500000112.8
167N50.2Low46.5Very low166 Ų166125.8 Ų125.889%0.88877%0.774SS**  trans85.865.5169.6-51.7-29.9000116.6
168A46.8Very low46.7Very low100 Ų100124.7 Ų124.783%0.82676%0.763SS**  trans-107121.6156.900000109.8
169I59.5Low47.3Very low157 Ų157119 Ų11981%0.80574%0.738SS**PPolyproline II helixtrans-52.3134.8172.6-63.6164.7000108.8
170P57.8Low47.6Very low108 Ų108117 Ų11770%0.70172%0.719SS**PPolyproline II helixtrans-58.3134.517923.2-32.4000109.9
171P50.7Low48.1Very low108 Ų108117.4 Ų117.470%0.70171%0.71SS**PPolyproline II helixtrans-61.2143.9174.426.3-32.6000109.4
172P52.8Low48.4Very low122 Ų122111.6 Ų111.679%0.79268%0.679SS**PPolyproline II helixtrans-55.3143.6172.424.2-32.6000109.8
173A44Very low48.9Very low89 Ų89108.5 Ų108.574%0.73666%0.659SS**PPolyproline II helixtrans-49.6132.2-179.100000110.2E175A173-E175 PolarHBondContact O-N 3.3Å; A173-E175 VanDerWaalsContact O-N 3.15Å
174P44.6Very low49.2Very low107 Ų107103.2 Ų103.270%0.69563%0.628SS**PPolyproline II helixtrans-59.4124177.323.8-31.2000108.4A176P174-A176 PolarHBondContact O-N 2.94Å
175E42.8Very low49.7Very low187 Ų18799.8 Ų99.887%0.87462%0.616SS**PPolyproline II helixtrans-48.1127.5170.6-72.5-177.1160.400108.8A173 I177A173-E175 PolarHBondContact O-N 3.3Å; A173-E175 VanDerWaalsContact O-N 3.15Å; E175-I177 PolarHBondContact O-N 3.27Å
176A45Very low50.3Low98 Ų9898.8 Ų98.881%0.8161%0.607SS**  trans-56.1114.2-169.700000110.5P174 G178P174-A176 PolarHBondContact O-N 2.94Å; A176-G178 PolarHBondContact O-N 3.09Å
177I48.3Very low50.8Low63 Ų6398.7 Ų98.732%0.32359%0.591SS.*  trans-53.7114.7167.9-59.8167.5000106.6E175 A179 D249E175-I177 PolarHBondContact O-N 3.27Å; I177-A179 VanDerWaalsContact C-N 3.25Å; I177-A179 PolarHBondContact O-N 3.34Å; I177-D249 HydrophobicContact CD1-CB 3.95Å; I177-D249 WeakPolarHBondContact CD1-OD2 3.5Å
178G50.2Low50.5Low51 Ų5196.5 Ų96.553%0.52659%0.586SS.*  trans-6584.4177.900000110.6A176 W180A176-G178 PolarHBondContact O-N 3.09Å; G178-W180 PolarHBondContact O-N 3.49Å; G178-W180 VanDerWaalsContact O-N 3.14Å
179A52.6Low50.5Low43 Ų4395.5 Ų95.536%0.35558%0.578SS.*  trans-72.9102.6177.300000109.3I177I177-A179 VanDerWaalsContact C-N 3.25Å; I177-A179 PolarHBondContact O-N 3.34Å
180W48.8Very low50.2Low129 Ų12991.5 Ų91.549%0.48956%0.564SS.*  trans-70136.1170.8-79.279.5000110.2G178 S209 M217 L222G178-W180 PolarHBondContact O-N 3.49Å; G178-W180 VanDerWaalsContact O-N 3.14Å; W180-S209 VanDerWaalsContact O-CB 3.25Å; W180-S209 WeakPolarHBondContact O-CB 3.31Å; W180-M217 HydrophobicContact CH2-SD 3.77Å; W180-M217 HydrophobicContact CZ2-SD 4.05Å; W180-L222 HydrophobicContact CB-CD2 4.16Å
181R52.7Low50.1Low147 Ų14791 Ų9156%0.55557%0.569SS**  trans-90.7123.3179.2-72.2-174.6-169.6-171.57.3108.8P183 D207R181-P183 WeakPolarHBondContact O-CD 3.26Å; R181-D207 HydrophobicContact CB-CB 3.83Å; R181-D207 WeakPolarHBondContact CD-OD2 3.46Å; R181-D207 HydrophobicContact CG-CB 4Å
182I51.4Low50.6Low43 Ų4388.7 Ų88.722%0.22156%0.559CS.*BIsolated β-bridgetrans-88.1115.7164.8-62.1169.9000106.1C184 A186 W208 L222I182-C184 PolarHBondContact O-N 3.34Å; I182-A186 HydrophobicContact CG2-CB 4.4Å; I182-W208 PolarHBondContact N-O 3.07Å; I182-L222 HydrophobicContact CD1-CD1 3.43Å; I182-L222 VanDerWaalsContact CD1-CD1 3.43Å; I182-L222 HydrophobicContact CD1-CG 4.38Å; I182-L222 HydrophobicContact CG1-CD1 3.87Å
183P53.4Low50.9Low52 Ų5286.8 Ų86.834%0.33854%0.536SS..  trans-72.3133.2175.233.3-35.5000109.7R181 N185 A186 D207R181-P183 WeakPolarHBondContact O-CD 3.26Å; P183-N185 WeakPolarHBondContact CB-OD1 3.23Å; P183-N185 WeakPolarHBondContact CG-OD1 3.48Å; P183-N185 PolarHBondContact O-N 3.3Å; P183-N185 PolarHBondContact O-OD1 3.19Å; P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 3.02Å; P183-D207 WeakPolarHBondContact CA-OD1 3.44Å
184C51.9Low52Low29 Ų2991.1 Ų91.120%0.19654%0.539CS..G310 helixtrans-61.7-9.7-176.3-85.70000114I182 F187 N204 M206I182-C184 PolarHBondContact O-N 3.34Å; C184-F187 WeakPolarHBondContact O-CD2 3.29Å; C184-N204 WeakPolarHBondContact CB-O 3.44Å; C184-M206 PolarHBondContact SG-O 2.86Å
185N55.3Low53.3Low119 Ų11995 Ų9564%0.63655%0.545SS*.G310 helixtrans-81.1-9.8172.856.811.4000113.8P183 F187P183-N185 WeakPolarHBondContact CB-OD1 3.23Å; P183-N185 WeakPolarHBondContact CG-OD1 3.48Å; P183-N185 PolarHBondContact O-N 3.3Å; P183-N185 PolarHBondContact O-OD1 3.19Å; N185-F187 PolarHBondContact O-N 2.92Å
186A54.2Low54.5Low72 Ų7289 Ų8960%0.59552%0.518SS*.G310 helixtrans-67.7-10.7174.600000113.7I182 P183I182-A186 HydrophobicContact CG2-CB 4.4Å; P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 3.02Å
187F53Low55.9Low82 Ų8287.8 Ų87.836%0.3650%0.502SS..SBendtrans-84137.4175-63.9-82.4000110.8C184 N185 A189 R193 V350C184-F187 WeakPolarHBondContact O-CD2 3.29Å; N185-F187 PolarHBondContact O-N 2.92Å; F187-A189 PolarHBondContact O-N 2.82Å; F187-R193 PolarHBondContact O-NH1 3.22Å; F187-R193 PolarHBondContact O-NH2 2.9Å; F187-V350 HydrophobicContact CE1-CB 4.25Å; F187-V350 HydrophobicContact CE1-CG1 3.94Å; F187-V350 HydrophobicContact CE1-CG2 3.38Å; F187-V350 HydrophobicContact CZ-CG2 3.67Å
188P45Very low57.2Low120 Ų12088.3 Ų88.378%0.77952%0.515SS*.  trans-55.3125.4178.820.2-29.9000110.3S190 R193P188-S190 PolarHBondContact O-N 3.14Å; P188-R193 PolarHBondContact O-NH2 3.29Å
189A47.3Very low58Low79 Ų7991.3 Ų91.365%0.65352%0.517SS*.  trans-67.895.7-177.200000110.4F187F187-A189 PolarHBondContact O-N 2.82Å
190S53.2Low58.7Low73 Ų7391.8 Ų91.851%0.5151%0.513SS..  trans-68.9140.6168.971.20000109.6P188 A192 R193P188-S190 PolarHBondContact O-N 3.14Å; S190-A192 PolarHBondContact O-N 3.18Å; S190-R193 WeakPolarHBondContact O-CG 3.31Å; S190-R193 PolarHBondContact O-N 3.06Å
191A54.3Low59.7Low97 Ų9791.8 Ų91.880%0.80251%0.513SS*.G310 helixtrans-54.3-15.7178.200000113.7R193A191-R193 PolarHBondContact O-N 3.14Å
192A61Low60.4Low61 Ų6188.7 Ų88.750%0.50451%0.511SS..G310 helixtrans-63.7-22.1174.200000114S190 K194 K195S190-A192 PolarHBondContact O-N 3.18Å; A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.18Å; A192-K195 PolarHBondContact O-N 3.31Å; A192-K195 VanDerWaalsContact O-N 3.17Å
193R60Low61Low81 Ų8189.2 Ų89.231%0.30652%0.516SS..G310 helixtrans-59-35.1-175.8-73.2-175.5177.2173.15.5114.1F187 P188 S190 A191 K195F187-R193 PolarHBondContact O-NH1 3.22Å; F187-R193 PolarHBondContact O-NH2 2.9Å; P188-R193 PolarHBondContact O-NH2 3.29Å; S190-R193 WeakPolarHBondContact O-CG 3.31Å; S190-R193 PolarHBondContact O-N 3.06Å; A191-R193 PolarHBondContact O-N 3.14Å; R193-K195 VanDerWaalsContact C-N 3.27Å; R193-K195 PolarHBondContact O-N 2.76Å
194K66.4Low61.5Low181 Ų18189.8 Ų89.879%0.78752%0.516SS*.G310 helixtrans-70.8-21.7-177.7-69.1-173.1179-177.90113.4A192 R201A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.18Å; K194-R201 PolarHBondContact O-NH2 2.92Å; K194-R201 VanDerWaalsContact O-NH2 3.12Å
195K73.4Confident62.6Low189 Ų18994.8 Ų94.882%0.82254%0.541SS*.G310 helixtrans-86.9-4.4-177.1-64.2-172.3179.3-175.60114A192 R193A192-K195 PolarHBondContact O-N 3.31Å; A192-K195 VanDerWaalsContact O-N 3.17Å; R193-K195 VanDerWaalsContact C-N 3.27Å; R193-K195 PolarHBondContact O-N 2.76Å
196L67.8Low63.7Low61 Ų6189.7 Ų89.732%0.31951%0.513SS..SBendtrans-74.3135.8178.7-70.2170.5000110.9L200 R201L196-L200 HydrophobicContact CB-CB 4.25Å; L196-L200 HydrophobicContact CD2-CD1 3.95Å; L196-R201 PolarHBondContact O-NE 3.36Å
197P73.9Confident64.9Low72 Ų7288.5 Ų88.547%0.46850%0.497SS..  trans-47.9144.7168.6-27.833.4000111.8M199 L200 R201P197-M199 PolarHBondContact O-N 2.82Å; P197-M199 VanDerWaalsContact O-N 3.08Å; P197-L200 PolarHBondContact O-N 2.81Å; P197-R201 PolarHBondContact O-N 2.76Å
198A75.4Confident66.2Low73 Ų7386.8 Ų86.860%0.60349%0.488SS*.Hα-helixtrans-52.1-37.1-175.800000113.2L200 R201A198-L200 VanDerWaalsContact C-N 3.28Å; A198-L200 PolarHBondContact O-N 3.28Å; A198-R201 WeakPolarHBondContact O-CB 3.49Å; A198-R201 PolarHBondContact O-N 3.4Å
199M68.1Low68Low115 Ų11581.3 Ų81.357%0.56745%0.452SS*.Hα-helixtrans-57.1-37.6175.9-171.8-171-67.500113.1P197 R201P197-M199 PolarHBondContact O-N 2.82Å; P197-M199 VanDerWaalsContact O-N 3.08Å; M199-R201 VanDerWaalsContact C-N 3.33Å
200L66.3Low69.5Low52 Ų5278.5 Ų78.527%0.27243%0.425SS..Hα-helixtrans-79.9-15.2179.4-65-177.4000112.9L196 P197 A198L196-L200 HydrophobicContact CB-CB 4.25Å; L196-L200 HydrophobicContact CD2-CD1 3.95Å; P197-L200 PolarHBondContact O-N 2.81Å; A198-L200 VanDerWaalsContact C-N 3.28Å; A198-L200 PolarHBondContact O-N 3.28Å
201R69.9Low70.5Confident129 Ų12975.7 Ų75.749%0.48741%0.405SS..Hα-helixtrans-69.4-36.2175.2-61.8-176.6-174.6176.9-1.4111.5K194 L196 P197 A198 M199 V203 N204K194-R201 PolarHBondContact O-NH2 2.92Å; K194-R201 VanDerWaalsContact O-NH2 3.12Å; L196-R201 PolarHBondContact O-NE 3.36Å; P197-R201 PolarHBondContact O-N 2.76Å; A198-R201 WeakPolarHBondContact O-CB 3.49Å; A198-R201 PolarHBondContact O-N 3.4Å; M199-R201 VanDerWaalsContact C-N 3.33Å; R201-V203 PolarHBondContact O-N 3.02Å; R201-N204 WeakPolarHBondContact O-CB 3.17Å; R201-N204 PolarHBondContact O-N 3.31Å
202V67.1Low71.3Confident83 Ų8371.1 Ų71.150%0.50337%0.367SS..Hα-helixtrans-59.6-35.6178.2-179.30000111.8N204 D205 M206V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.86Å; V202-D205 PolarHBondContact O-N 2.81Å; V202-M206 HydrophobicContact CG1-CE 4.07Å
203V64.8Low71.2Confident53 Ų5373.8 Ų73.832%0.32137%0.365SS..Hα-helixtrans-68-31.5177.8-177.40000111.6R201 D205 M206R201-V203 PolarHBondContact O-N 3.02Å; V203-D205 PolarHBondContact O-N 3.37Å; V203-M206 PolarHBondContact O-N 3.17Å
204N63.9Low70.8Confident64 Ų6472.7 Ų72.734%0.34237%0.373SS..THydrogen-bonded Turntrans-72.4-13.4178.7-73.1-25.1000113.7C184 R201 V202C184-N204 WeakPolarHBondContact CB-O 3.44Å; R201-N204 WeakPolarHBondContact O-CB 3.17Å; R201-N204 PolarHBondContact O-N 3.31Å; V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.86Å
205D74.9Confident69.9Low135 Ų13566.2 Ų66.272%0.72235%0.35SS*.THydrogen-bonded Turntrans-98.41.6176.8-64.1-27.7000112V202 V203 D207V202-D205 PolarHBondContact O-N 2.81Å; V203-D205 PolarHBondContact O-N 3.37Å; D205-D207 PolarHBondContact O-N 2.92Å
206M77.1Confident68.8Low12 Ų1260.6 Ų60.66%0.05934%0.335CS..PPolyproline II helixtrans-83.1118.6178.2-67.7-174.9-178.200111C184 V202 V203 W208 L291 P293C184-M206 PolarHBondContact SG-O 2.86Å; V202-M206 HydrophobicContact CG1-CE 4.07Å; V203-M206 PolarHBondContact O-N 3.17Å; M206-W208 PolarHBondContact O-N 3.15Å; M206-L291 WeakPolarHBondContact CE-O 2.85Å; M206-L291 HydrophobicContact SD-CB 4.25Å; M206-P293 HydrophobicContact CE-CG 4.22Å
207D80.5Confident68.2Low46 Ų4665.6 Ų65.625%0.24636%0.358CS..PPolyproline II helixtrans-72.1120.4170.3-63.2-20.8000110.2R181 P183 D205 S296R181-D207 HydrophobicContact CB-CB 3.83Å; R181-D207 WeakPolarHBondContact CD-OD2 3.46Å; R181-D207 HydrophobicContact CG-CB 4Å; P183-D207 WeakPolarHBondContact CA-OD1 3.44Å; D205-D207 PolarHBondContact O-N 2.92Å; D207-S296 WeakPolarHBondContact O-CB 2.96Å; D207-S296 PolarHBondContact O-OG 3.44Å; D207-S296 VanDerWaalsContact O-OG 3.09Å
208W80.6Confident67.6Low47 Ų4770.3 Ų70.318%0.17837%0.374CS..BIsolated β-bridgetrans-101.8145.8171.1-65.992.5000109.8I182 M206 F275 L291 Q300I182-W208 PolarHBondContact N-O 3.07Å; M206-W208 PolarHBondContact O-N 3.15Å; W208-F275 HydrophobicContact CH2-CE1 4.24Å; W208-L291 HydrophobicContact CH2-CD2 3Å; W208-L291 HydrophobicContact CH2-CG 4.49Å; W208-L291 HydrophobicContact CZ2-CD2 3.18Å; W208-L291 HydrophobicContact CZ3-CD2 4.11Å; W208-Q300 HydrophobicContact CE3-CG 3.98Å; W208-Q300 HydrophobicContact CZ3-CG 4.39Å
209S81.8Confident66.6Low4 Ų471.2 Ų71.23%0.02837%0.369CS..  trans-116.7153.3173.261.40000110.6W180 P299 Q300W180-S209 VanDerWaalsContact O-CB 3.25Å; W180-S209 WeakPolarHBondContact O-CB 3.31Å; S209-P299 CarbonylContact O-C 3.44Å; S209-P299 VanDerWaalsContact O-CA 3.23Å; S209-P299 WeakPolarHBondContact O-CA 3.07Å; S209-Q300 PolarHBondContact O-N 2.87Å
210W80Confident66.1Low21 Ų2177.2 Ų77.28%0.0839%0.385CS..  trans-110.4150166.5-70.987.1000108.2T212 Q300 G302 F303 L348 G349W210-T212 VanDerWaalsContact C-N 3.34Å; W210-T212 HydrophobicContact CB-CG2 3.88Å; W210-T212 WeakPolarHBondContact O-CB 3.37Å; W210-T212 WeakPolarHBondContact O-CG2 3.46Å; W210-T212 PolarHBondContact O-N 3.19Å; W210-T212 PolarHBondContact O-OG1 3.37Å; W210-Q300 HydrophobicContact CD2-CB 4Å; W210-Q300 HydrophobicContact CE3-CB 3.84Å; W210-Q300 HydrophobicContact CH2-CB 3.83Å; W210-Q300 HydrophobicContact CZ2-CB 3.98Å; W210-Q300 HydrophobicContact CZ2-CG 4.5Å; W210-Q300 HydrophobicContact CZ3-CB 3.73Å; W210-G302 WeakPolarHBondContact CH2-O 3.49Å; W210-G302 VanDerWaalsContact CZ3-C 3.49Å; W210-G302 WeakPolarHBondContact CZ3-O 3.47Å; W210-F303 HydrophobicContact CE3-CB 4.12Å; W210-F303 HydrophobicContact CH2-CB 4.05Å; W210-F303 HydrophobicContact CZ3-CB 3.5Å; W210-F303 VanDerWaalsContact CZ3-CB 3.5Å; W210-L348 HydrophobicContact CB-CB 4.04Å; W210-L348 HydrophobicContact CB-CD1 4.44Å; W210-L348 HydrophobicContact CD2-CB 4.3Å; W210-L348 HydrophobicContact CG-CB 3.9Å; W210-L348 PolarHBondContact NE1-O 3.38Å; W210-G349 VanDerWaalsContact CE2-CA 3.45Å
211P73.7Confident65.6Low14 Ų1478.1 Ų78.19%0.09139%0.387CS..SBendtrans-66.298177.725.3-31.5000109I245 I250 P299 Q300P211-I245 HydrophobicContact CB-CD1 4.36Å; P211-I245 HydrophobicContact CG-CD1 3.21Å; P211-I250 HydrophobicContact CB-CD1 3.32Å; P211-I250 HydrophobicContact CB-CG1 4.15Å; P211-I250 HydrophobicContact CG-CD1 3.82Å; P211-P299 HydrophobicContact CB-CB 4.22Å; P211-P299 HydrophobicContact CG-CB 4.39Å; P211-Q300 WeakPolarHBondContact CD-O 3.27Å
212T71.2Confident65Low1 Ų172.8 Ų72.81%0.00637%0.368CS..  trans-140.5150.9-167.950.80000107W210 L222 L348W210-T212 VanDerWaalsContact C-N 3.34Å; W210-T212 HydrophobicContact CB-CG2 3.88Å; W210-T212 WeakPolarHBondContact O-CB 3.37Å; W210-T212 WeakPolarHBondContact O-CG2 3.46Å; W210-T212 PolarHBondContact O-N 3.19Å; W210-T212 PolarHBondContact O-OG1 3.37Å; T212-L222 HydrophobicContact CG2-CB 3.59Å; T212-L222 HydrophobicContact CG2-CD1 3.83Å; T212-L222 HydrophobicContact CG2-CD2 4.34Å; T212-L222 HydrophobicContact CG2-CG 4.11Å; T212-L222 WeakPolarHBondContact OG1-CD2 3.46Å; T212-L348 HydrophobicContact CG2-CD1 3.17Å
213Y58.5Low64.8Low117 Ų11775.2 Ų75.246%0.45937%0.368SS..EExtended strand (participates in β ladder)trans-103.4147.4164.1-81-122.4000107.9C215 P225Y213-C215 PolarHBondContact O-N 3.18Å; Y213-P225 HydrophobicContact CD2-CB 4.14Å; Y213-P225 HydrophobicContact CD2-CG 3.25Å; Y213-P225 HydrophobicContact CE2-CG 4.14Å; Y213-P225 HydrophobicContact CG-CB 4.01Å; Y213-P225 HydrophobicContact CG-CG 3.61Å
214A51.7Low65Low57 Ų5773.7 Ų73.747%0.47136%0.358SS..EExtended strand (participates in β ladder)trans-57118170.300000109.3
215C47.4Very low65.1Low46 Ų4673.7 Ų73.731%0.31136%0.362SS..  trans-100.481.6169.8-173.80000108.3Y213 R223Y213-C215 PolarHBondContact O-N 3.18Å; C215-R223 HydrophobicContact CB-CB 4.32Å; C215-R223 HydrophobicContact CB-CG 4.39Å
216S50Low65.6Low71 Ų7171.3 Ų71.350%0.49734%0.342SS..  trans62141.8-176.6-1790000115E218 N219S216-E218 PolarHBondContact O-N 3.34Å; S216-E218 VanDerWaalsContact O-N 3.17Å; S216-E218 PolarHBondContact OG-N 2.97Å; S216-N219 PolarHBondContact O-N 3.23Å
217M55.7Low66.3Low165 Ų16573.3 Ų73.381%0.81336%0.357SS*.THydrogen-bonded Turntrans-59-24175-75.3-86.9-122.200112.9W180W180-M217 HydrophobicContact CH2-SD 3.77Å; W180-M217 HydrophobicContact CZ2-SD 4.05Å
218E61.2Low66.9Low172 Ų17271.3 Ų71.380%0.80435%0.346SS*.THydrogen-bonded Turntrans-81-19.2-173.5-69.3173.2163.300113.3S216S216-E218 PolarHBondContact O-N 3.34Å; S216-E218 VanDerWaalsContact O-N 3.17Å; S216-E218 PolarHBondContact OG-N 2.97Å
219N54.7Low67.7Low91 Ų9170.1 Ų70.149%0.48734%0.344SS..  trans-118.8108-176.4-80.6-33.3000109.8S216 F221S216-N219 PolarHBondContact O-N 3.23Å; N219-F221 HydrophobicContact CB-CD2 4.01Å; N219-F221 PolarHBondContact O-N 3.49Å
220R57.4Low68.3Low242 Ų24270.3 Ų70.391%0.91335%0.345SS*.  trans-65.123.5175.9-65.3-175.9178.61790114
221F55.4Low69.1Low70 Ų7076.2 Ų76.231%0.30737%0.367SS..  trans-110126.3-171.3-57.6-70.6000110N219 R223 N345N219-F221 HydrophobicContact CB-CD2 4.01Å; N219-F221 PolarHBondContact O-N 3.49Å; F221-R223 PolarHBondContact O-N 2.89Å; F221-N345 HydrophobicContact CD1-CB 3.58Å; F221-N345 HydrophobicContact CD2-CB 4.47Å; F221-N345 WeakPolarHBondContact CD2-OD1 3.48Å; F221-N345 HydrophobicContact CE1-CB 3.53Å; F221-N345 HydrophobicContact CE2-CB 4.43Å; F221-N345 WeakPolarHBondContact CE2-OD1 3.28Å; F221-N345 HydrophobicContact CG-CB 4.07Å; F221-N345 WeakPolarHBondContact CG-OD1 3.35Å; F221-N345 HydrophobicContact CZ-CB 3.98Å; F221-N345 WeakPolarHBondContact CZ-OD1 3.4Å
222L57.8Low70.1Confident18 Ų1876.7 Ų76.79%0.09437%0.369CS..EExtended strand (participates in β ladder)trans-84.8102.7179.2-63.4-175.7000109.3W180 I182 T212 L348W180-L222 HydrophobicContact CB-CD2 4.16Å; I182-L222 HydrophobicContact CD1-CD1 3.43Å; I182-L222 VanDerWaalsContact CD1-CD1 3.43Å; I182-L222 HydrophobicContact CD1-CG 4.38Å; I182-L222 HydrophobicContact CG1-CD1 3.87Å; T212-L222 HydrophobicContact CG2-CB 3.59Å; T212-L222 HydrophobicContact CG2-CD1 3.83Å; T212-L222 HydrophobicContact CG2-CD2 4.34Å; T212-L222 HydrophobicContact CG2-CG 4.11Å; T212-L222 WeakPolarHBondContact OG1-CD2 3.46Å; L222-L348 HydrophobicContact CB-CD1 4.11Å
223R62.3Low71.1Confident134 Ų13480.3 Ų80.351%0.50639%0.386SS..EExtended strand (participates in β ladder)trans-83.7134.4167.9-72.6-171.7178174.4-0.4109.4C215 F221 P225C215-R223 HydrophobicContact CB-CB 4.32Å; C215-R223 HydrophobicContact CB-CG 4.39Å; F221-R223 PolarHBondContact O-N 2.89Å; R223-P225 WeakPolarHBondContact O-CD 3.15Å
224L69.8Low72.7Confident20 Ų2077.4 Ų77.411%0.10538%0.379CS..  trans-64.9111.5160.8-77.7-174.4000106.8R226 L228 F303 P339 L348 V353L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.47Å; L224-L228 HydrophobicContact CD1-CD1 3.96Å; L224-L228 HydrophobicContact CD2-CD1 3.71Å; L224-L228 HydrophobicContact CG-CD1 4.37Å; L224-F303 HydrophobicContact CD1-CE2 4.36Å; L224-F303 HydrophobicContact CD1-CZ 4.37Å; L224-P339 HydrophobicContact CB-CB 4.2Å; L224-P339 HydrophobicContact CB-CG 3.21Å; L224-P339 HydrophobicContact CD1-CG 3.87Å; L224-P339 HydrophobicContact CG-CG 4.15Å; L224-L348 HydrophobicContact CD1-CD2 4.1Å; L224-L348 HydrophobicContact CD2-CD1 3.63Å; L224-L348 HydrophobicContact CD2-CD2 4.06Å; L224-L348 HydrophobicContact CG-CD1 3.81Å; L224-L348 HydrophobicContact CG-CD2 3.93Å; L224-L348 HydrophobicContact CG-CG 4.42Å; L224-V353 HydrophobicContact CD1-CG1 4.14Å
225P65.4Low74.5Confident65 Ų6575.4 Ų75.442%0.42236%0.36SS..  trans-88.7-8.7-161.332.1-31.5000113.1Y213 R223Y213-P225 HydrophobicContact CD2-CB 4.14Å; Y213-P225 HydrophobicContact CD2-CG 3.25Å; Y213-P225 HydrophobicContact CE2-CG 4.14Å; Y213-P225 HydrophobicContact CG-CB 4.01Å; Y213-P225 HydrophobicContact CG-CG 3.61Å; R223-P225 WeakPolarHBondContact O-CD 3.15Å
226R85.1Confident76.4Confident84 Ų8478.1 Ų78.132%0.31737%0.367SS..SBendtrans-149.9156.2-173.461.7-176.8-178.8174.3-1.1109.8L224 L228 D249L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.47Å; R226-L228 HydrophobicContact CG-CD2 4.06Å; R226-L228 PolarHBondContact O-N 2.95Å; R226-D249 IonicContact NH2-OD2 3.27Å; R226-D249 PolarHBondContact NH2-OD2 3.26Å
227P92.4Very high78Confident55 Ų5575.2 Ų75.236%0.35735%0.347SS..  trans-51.2129.9161.1-21.732.6000109.9I336 A337 V338 I362P227-I336 HydrophobicContact CB-CG2 3.53Å; P227-A337 CarbonylContact C-O 3.43Å; P227-A337 WeakPolarHBondContact CA-O 3.46Å; P227-V338 HydrophobicContact CB-CG2 3.88Å; P227-V338 HydrophobicContact CG-CG2 4.09Å; P227-I362 HydrophobicContact CB-CD1 3.45Å; P227-I362 VanDerWaalsContact CB-CD1 3.45Å; P227-I362 HydrophobicContact CG-CD1 3.28Å
228L93.9Very high78.9Confident3 Ų368.2 Ų68.22%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-107.7133.8-179.8-65178.5000110.4L224 R226 V230 I245 E247 F303 I336 A337L224-L228 HydrophobicContact CD1-CD1 3.96Å; L224-L228 HydrophobicContact CD2-CD1 3.71Å; L224-L228 HydrophobicContact CG-CD1 4.37Å; R226-L228 HydrophobicContact CG-CD2 4.06Å; R226-L228 PolarHBondContact O-N 2.95Å; L228-V230 HydrophobicContact CB-CG1 4.04Å; L228-V230 PolarHBondContact O-N 3.47Å; L228-I245 HydrophobicContact CD1-CD1 3.78Å; L228-I245 HydrophobicContact CD1-CG1 3.99Å; L228-E247 HydrophobicContact CD2-CG 4.28Å; L228-F303 HydrophobicContact CD1-CE1 4.39Å; L228-I336 CarbonylContact O-C 3.51Å; L228-I336 VanDerWaalsContact O-CA 3.3Å; L228-I336 WeakPolarHBondContact O-CA 3.39Å; L228-A337 PolarHBondContact N-O 2.89Å; L228-A337 PolarHBondContact O-N 3.22Å
229T95.7Very high80.2Confident23 Ų2361.4 Ų61.414%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-70122.8164.8-48.10000108.5K246 E247 K334 L335T229-K246 HydrophobicContact CG2-CB 3.91Å; T229-K246 WeakPolarHBondContact O-CB 3.39Å; T229-K246 PolarHBondContact O-N 2.96Å; T229-E247 WeakPolarHBondContact CB-OE1 3.45Å; T229-E247 PolarHBondContact N-OE1 3.4Å; T229-E247 PolarHBondContact OG1-OE1 3.02Å; T229-K334 HydrophobicContact CG2-CD 4.13Å; T229-K334 HydrophobicContact CG2-CG 3.7Å; T229-K334 WeakPolarHBondContact OG1-CE 3.5Å; T229-K334 PolarHBondContact OG1-NZ 3.02Å; T229-L335 CarbonylContact C-O 3.6Å; T229-L335 WeakPolarHBondContact CA-O 3.48Å
230V96.1Very high81.9Confident7 Ų757.5 Ų57.54%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-128.9164.8-175.2-65.10000112.5L228 L243 I244 F303 L335 A337 L357L228-V230 HydrophobicContact CB-CG1 4.04Å; L228-V230 PolarHBondContact O-N 3.47Å; V230-L243 HydrophobicContact CB-CB 4.32Å; V230-L243 HydrophobicContact CG1-CB 4.38Å; V230-L243 HydrophobicContact CG1-CD1 4.45Å; V230-L243 HydrophobicContact CG2-CD1 4.26Å; V230-L243 HydrophobicContact CG2-CD2 4.46Å; V230-I244 CarbonylContact C-O 3.54Å; V230-I244 WeakPolarHBondContact CA-O 3.43Å; V230-F303 HydrophobicContact CG1-CE1 4.25Å; V230-F303 HydrophobicContact CG1-CZ 4.32Å; V230-L335 HydrophobicContact CG2-CB 3.97Å; V230-L335 PolarHBondContact N-O 3.03Å; V230-A337 HydrophobicContact CB-CB 4.46Å; V230-A337 HydrophobicContact CG1-CB 3.8Å; V230-A337 HydrophobicContact CG2-CB 3.8Å; V230-L357 HydrophobicContact CG2-CD1 3.79Å
231R95.2Very high83.6Confident146 Ų14646 Ų4655%0.55122%0.219SC*.EExtended strand (participates in β ladder)trans-127.9133.1165.7-179.8177.9175.7177.4-2.2109M233 L243 I244 K246R231-M233 PolarHBondContact O-N 3.34Å; R231-L243 WeakPolarHBondContact O-CA 3.41Å; R231-I244 PolarHBondContact N-O 3.06Å; R231-I244 PolarHBondContact O-N 3.29Å; R231-K246 HydrophobicContact CB-CG 4.05Å
232I95.1Very high85.4Confident24 Ų2442.7 Ų42.712%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-71.8123.5171.4-55.8177.1000108.4I235 F241 L243 L326 I330 L335 L357I232-I235 HydrophobicContact CG2-CG1 4.12Å; I232-F241 HydrophobicContact CD1-CD1 4.17Å; I232-F241 HydrophobicContact CD1-CE1 4.45Å; I232-F241 HydrophobicContact CG2-CD1 3.93Å; I232-L243 HydrophobicContact CB-CD2 4.32Å; I232-L243 HydrophobicContact CG1-CD2 3.71Å; I232-L326 HydrophobicContact CD1-CD2 3.72Å; I232-L326 HydrophobicContact CD1-CG 4.29Å; I232-I330 HydrophobicContact CD1-CD1 4.03Å; I232-L335 HydrophobicContact CD1-CD1 3.95Å; I232-L335 HydrophobicContact CG1-CD1 3.81Å; I232-L357 HydrophobicContact CD1-CD2 4Å; I232-L357 HydrophobicContact CG1-CD2 4.49Å
233M93.1Very high87.2Confident76 Ų7641.9 Ų41.937%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-101.4-40.3177.4-71.2-58-67.700112.7R231 T242 I244 A277R231-M233 PolarHBondContact O-N 3.34Å; M233-T242 HydrophobicContact CB-CG2 4.2Å; M233-T242 PolarHBondContact N-O 3.33Å; M233-I244 HydrophobicContact CE-CD1 3.77Å; M233-I244 HydrophobicContact CG-CB 3.97Å; M233-I244 HydrophobicContact CG-CD1 3.26Å; M233-I244 HydrophobicContact CG-CG1 3.36Å; M233-I244 HydrophobicContact SD-CD1 3.43Å; M233-I244 WeakPolarHBondContact SD-CD1 3.46Å; M233-I244 HydrophobicContact SD-CG1 4.15Å; M233-A277 HydrophobicContact CE-CB 4.07Å
234N90.6Very high88.6Confident56 Ų5636 Ų3630%0.29918%0.18SC..EExtended strand (participates in β ladder)trans-146.8147.9-178.2-164.24.2000109.7T242N234-T242 PolarHBondContact O-N 3.12Å
235I91Very high89.7Confident16 Ų1635.1 Ų35.18%0.08218%0.175CC..EExtended strand (participates in β ladder)trans-113.3102.8173.6-50.8-179000105.3I232 G237 F241 F322 K323 L326I232-I235 HydrophobicContact CG2-CG1 4.12Å; I235-G237 WeakPolarHBondContact CG2-O 3.11Å; I235-F241 HydrophobicContact CB-CD1 4.46Å; I235-F241 HydrophobicContact CB-CE1 4.4Å; I235-F241 HydrophobicContact CD1-CE1 4.08Å; I235-F241 HydrophobicContact CG1-CD1 3.96Å; I235-F241 HydrophobicContact CG1-CE1 3.89Å; I235-F241 HydrophobicContact CG2-CD1 4.26Å; I235-F241 HydrophobicContact CG2-CE1 3.86Å; I235-F241 HydrophobicContact CG2-CZ 4.27Å; I235-F322 HydrophobicContact CD1-CD1 4.13Å; I235-F322 HydrophobicContact CD1-CE1 4Å; I235-F322 HydrophobicContact CG2-CD1 4.38Å; I235-F322 HydrophobicContact CG2-CE1 4.12Å; I235-K323 HydrophobicContact CD1-CB 4.44Å; I235-K323 HydrophobicContact CD1-CG 3.66Å; I235-K323 HydrophobicContact CG1-CG 4.43Å; I235-L326 HydrophobicContact CD1-CD2 3.48Å; I235-L326 VanDerWaalsContact CD1-CD2 3.48Å; I235-L326 HydrophobicContact CG1-CD2 4.4Å
236K86.3Confident91.1Very high103 Ų10336.2 Ų36.245%0.44817%0.173SC..  trans-81.4-23.9179.8-70.1-167.7178.2-175.60111.7T240 G278 L304K236-T240 HydrophobicContact CB-CG2 4.14Å; K236-T240 PolarHBondContact N-O 2.62Å; K236-G278 WeakPolarHBondContact CE-O 3.22Å; K236-L304 HydrophobicContact CD-CD2 4.04Å
237G83.5Confident91.3Very high9 Ų934 Ų349%0.09317%0.166CC..SBendtrans-174.5-173.7179.700000113.3I235 N239 T240I235-G237 WeakPolarHBondContact CG2-O 3.11Å; G237-N239 VanDerWaalsContact C-N 3.3Å; G237-N239 PolarHBondContact O-N 3.01Å; G237-T240 PolarHBondContact N-O 3.5Å; G237-T240 PolarHBondContact O-N 3.45Å
238P74.5Confident91.3Very high18 Ų1838.4 Ų38.412%0.11718%0.179CC..SBendtrans-38.1-51.3-178.9-37.635.2000117.4P312 W315P238-P312 WeakPolarHBondContact CB-O 2.98Å; P238-P312 WeakPolarHBondContact CG-O 3.4Å; P238-W315 VanDerWaalsContact CA-NE1 3.3Å; P238-W315 HydrophobicContact CB-CB 4.44Å; P238-W315 HydrophobicContact CB-CG 3.88Å; P238-W315 HydrophobicContact CG-CB 3.95Å; P238-W315 HydrophobicContact CG-CG 3.92Å; P238-W315 PolarHBondContact O-NE1 3.27Å
239N88Confident90.9Very high29 Ų2940.2 Ų40.216%0.15519%0.189CC..SBendtrans-120.2-10.7-174.660.3-19.4000110.1G237 F241 D306 L307G237-N239 VanDerWaalsContact C-N 3.3Å; G237-N239 PolarHBondContact O-N 3.01Å; N239-F241 VanDerWaalsContact O-CD2 3.24Å; N239-F241 WeakPolarHBondContact O-CD2 3.03Å; N239-F241 WeakPolarHBondContact O-CE2 3.46Å; N239-D306 CarbonylContact O-C 3.45Å; N239-D306 WeakPolarHBondContact O-CA 3.44Å; N239-L307 PolarHBondContact O-N 2.82Å
240T91.2Very high90.5Very high9 Ų939.6 Ų39.66%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-100.2116.5-173.1-54.50000112.5K236 G237 A305 D306 K352K236-T240 HydrophobicContact CB-CG2 4.14Å; K236-T240 PolarHBondContact N-O 2.62Å; G237-T240 PolarHBondContact N-O 3.5Å; G237-T240 PolarHBondContact O-N 3.45Å; T240-A305 WeakPolarHBondContact CA-O 3.17Å; T240-D306 WeakPolarHBondContact CA-OD1 2.88Å; T240-D306 WeakPolarHBondContact CB-OD1 3.37Å; T240-D306 PolarHBondContact OG1-OD1 3.18Å; T240-K352 HydrophobicContact CG2-CD 3.87Å; T240-K352 PolarHBondContact OG1-NZ 2.9Å
241F93.7Very high90.1Very high1 Ų140.5 Ų40.50%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-120144.6-178.9-62.5-97.9000110.5I232 I235 N239 L243 L304 A305 L307 F322 L326I232-F241 HydrophobicContact CD1-CD1 4.17Å; I232-F241 HydrophobicContact CD1-CE1 4.45Å; I232-F241 HydrophobicContact CG2-CD1 3.93Å; I235-F241 HydrophobicContact CB-CD1 4.46Å; I235-F241 HydrophobicContact CB-CE1 4.4Å; I235-F241 HydrophobicContact CD1-CE1 4.08Å; I235-F241 HydrophobicContact CG1-CD1 3.96Å; I235-F241 HydrophobicContact CG1-CE1 3.89Å; I235-F241 HydrophobicContact CG2-CD1 4.26Å; I235-F241 HydrophobicContact CG2-CE1 3.86Å; I235-F241 HydrophobicContact CG2-CZ 4.27Å; N239-F241 VanDerWaalsContact O-CD2 3.24Å; N239-F241 WeakPolarHBondContact O-CD2 3.03Å; N239-F241 WeakPolarHBondContact O-CE2 3.46Å; F241-L243 HydrophobicContact CB-CD2 4.07Å; F241-L243 HydrophobicContact CB-CG 4.38Å; F241-L304 WeakPolarHBondContact O-CA 3.35Å; F241-A305 PolarHBondContact N-O 3.12Å; F241-A305 PolarHBondContact O-N 3.34Å; F241-L307 HydrophobicContact CD2-CD1 3.95Å; F241-L307 HydrophobicContact CD2-CD2 4.21Å; F241-L307 HydrophobicContact CD2-CG 3.65Å; F241-L307 HydrophobicContact CE2-CB 4.46Å; F241-L307 HydrophobicContact CE2-CD1 3.21Å; F241-L307 HydrophobicContact CE2-CD2 4.3Å; F241-L307 HydrophobicContact CE2-CG 3.39Å; F241-L307 HydrophobicContact CZ-CD1 3.65Å; F241-L307 HydrophobicContact CZ-CG 4.3Å; F241-F322 HydrophobicContact CE1-CE1 4.11Å; F241-F322 HydrophobicContact CE1-CZ 4.42Å; F241-F322 AromaticContact CZ-CE1 3.93Å; F241-F322 HydrophobicContact CZ-CE1 3.93Å; F241-F322 HydrophobicContact CZ-CZ 4.06Å; F241-L326 HydrophobicContact CE1-CD2 3.73Å
242T93.2Very high89.8Confident1 Ų137.3 Ų37.31%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-92.3120.3161.5-59.10000108.2M233 N234M233-T242 HydrophobicContact CB-CG2 4.2Å; M233-T242 PolarHBondContact N-O 3.33Å; N234-T242 PolarHBondContact O-N 3.12Å
243L94.3Very high89.4Confident0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-112.7134.7179.7-59.5-176.3000110.9V230 R231 I232 F241 G302 F303 A305 A337 I355V230-L243 HydrophobicContact CB-CB 4.32Å; V230-L243 HydrophobicContact CG1-CB 4.38Å; V230-L243 HydrophobicContact CG1-CD1 4.45Å; V230-L243 HydrophobicContact CG2-CD1 4.26Å; V230-L243 HydrophobicContact CG2-CD2 4.46Å; R231-L243 WeakPolarHBondContact O-CA 3.41Å; I232-L243 HydrophobicContact CB-CD2 4.32Å; I232-L243 HydrophobicContact CG1-CD2 3.71Å; F241-L243 HydrophobicContact CB-CD2 4.07Å; F241-L243 HydrophobicContact CB-CG 4.38Å; L243-G302 CarbonylContact O-C 3.43Å; L243-G302 WeakPolarHBondContact O-CA 3.36Å; L243-F303 HydrophobicContact CB-CD1 4.37Å; L243-F303 HydrophobicContact CB-CE1 3.93Å; L243-F303 HydrophobicContact CB-CE2 4.38Å; L243-F303 HydrophobicContact CB-CZ 3.94Å; L243-F303 HydrophobicContact CD1-CE2 3.97Å; L243-F303 HydrophobicContact CD1-CZ 3.76Å; L243-F303 HydrophobicContact CG-CZ 4.45Å; L243-F303 PolarHBondContact N-O 2.92Å; L243-F303 PolarHBondContact O-N 3.14Å; L243-A305 HydrophobicContact CD1-CB 3.68Å; L243-A305 HydrophobicContact CG-CB 4.13Å; L243-A337 HydrophobicContact CD1-CB 4.19Å; L243-I355 HydrophobicContact CD1-CD1 3.32Å
244I92.7Very high89Confident12 Ų1234.6 Ų34.66%0.06217%0.173CC..EExtended strand (participates in β ladder)trans-100.8133167-76.7179000109.8V230 R231 M233 L276 R301V230-I244 CarbonylContact C-O 3.54Å; V230-I244 WeakPolarHBondContact CA-O 3.43Å; R231-I244 PolarHBondContact N-O 3.06Å; R231-I244 PolarHBondContact O-N 3.29Å; M233-I244 HydrophobicContact CE-CD1 3.77Å; M233-I244 HydrophobicContact CG-CB 3.97Å; M233-I244 HydrophobicContact CG-CD1 3.26Å; M233-I244 HydrophobicContact CG-CG1 3.36Å; M233-I244 HydrophobicContact SD-CD1 3.43Å; M233-I244 WeakPolarHBondContact SD-CD1 3.46Å; M233-I244 HydrophobicContact SD-CG1 4.15Å; I244-L276 HydrophobicContact CD1-CB 4.14Å; I244-L276 WeakPolarHBondContact CD1-O 3.36Å; I244-L276 VanDerWaalsContact CG1-O 3.26Å; I244-L276 WeakPolarHBondContact CG1-O 3.15Å; I244-R301 WeakPolarHBondContact CA-O 3.42Å; I244-R301 HydrophobicContact CG2-CB 4.43Å
245I93.2Very high88.8Confident1 Ų137.5 Ų37.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-74.4132.8173.9-58.7166.6000110.6P211 L228 E247 I250 R301 F303P211-I245 HydrophobicContact CB-CD1 4.36Å; P211-I245 HydrophobicContact CG-CD1 3.21Å; L228-I245 HydrophobicContact CD1-CD1 3.78Å; L228-I245 HydrophobicContact CD1-CG1 3.99Å; I245-E247 HydrophobicContact CG2-CB 4.07Å; I245-E247 HydrophobicContact CG2-CG 3.82Å; I245-I250 HydrophobicContact CB-CD1 4.44Å; I245-I250 HydrophobicContact CG2-CD1 3.58Å; I245-R301 WeakPolarHBondContact CG1-O 3.4Å; I245-R301 PolarHBondContact N-O 3.3Å; I245-R301 PolarHBondContact O-NE 3.49Å; I245-R301 PolarHBondContact O-NH2 2.9Å; I245-F303 HydrophobicContact CD1-CD1 3.99Å; I245-F303 HydrophobicContact CD1-CE1 3.93Å; I245-F303 HydrophobicContact CG1-CD1 4.03Å; I245-F303 HydrophobicContact CG1-CE1 3.66Å
246K93.7Very high88.6Confident88 Ų8843.7 Ų43.738%0.38321%0.214SC..  trans-112.310.2-174.9-73.3-72.2-179.9-177.80113.6T229 R231T229-K246 HydrophobicContact CG2-CB 3.91Å; T229-K246 WeakPolarHBondContact O-CB 3.39Å; T229-K246 PolarHBondContact O-N 2.96Å; R231-K246 HydrophobicContact CB-CG 4.05Å
247E90.9Very high88.5Confident37 Ų3739.9 Ų39.917%0.17320%0.198CC..  trans-61.9138.8172.7-60.6-58.414600110.8L228 T229 I245 D249 I250 V251L228-E247 HydrophobicContact CD2-CG 4.28Å; T229-E247 WeakPolarHBondContact CB-OE1 3.45Å; T229-E247 PolarHBondContact N-OE1 3.4Å; T229-E247 PolarHBondContact OG1-OE1 3.02Å; I245-E247 HydrophobicContact CG2-CB 4.07Å; I245-E247 HydrophobicContact CG2-CG 3.82Å; E247-D249 WeakPolarHBondContact CB-OD1 3.07Å; E247-D249 PolarHBondContact O-N 3.24Å; E247-I250 HydrophobicContact CB-CD1 4.19Å; E247-I250 PolarHBondContact O-N 3.12Å; E247-V251 WeakPolarHBondContact O-CG2 3.33Å; E247-V251 PolarHBondContact O-N 3.32Å
248K91.4Very high88.4Confident147 Ų14743.1 Ų43.164%0.63922%0.216SC*.Hα-helixtrans-61-45.5-169.9-179.4178.3171.8-178.30112I250 V251 E252K248-I250 VanDerWaalsContact C-N 3.32Å; K248-I250 PolarHBondContact O-N 2.93Å; K248-V251 PolarHBondContact O-N 3.22Å; K248-E252 WeakPolarHBondContact CE-OE1 3.41Å; K248-E252 HydrophobicContact CG-CG 4.31Å; K248-E252 WeakPolarHBondContact CG-OE1 3.26Å; K248-E252 IonicContact NZ-OE1 3.84Å; K248-E252 WeakPolarHBondContact O-CB 3.32Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.29Å
249D86.5Confident88.8Confident42 Ų4246 Ų4623%0.22523%0.234CC..Hα-helixtrans-51.5-46.817551.9-0.7000112.9I177 R226 E247 A253I177-D249 HydrophobicContact CD1-CB 3.95Å; I177-D249 WeakPolarHBondContact CD1-OD2 3.5Å; R226-D249 IonicContact NH2-OD2 3.27Å; R226-D249 PolarHBondContact NH2-OD2 3.26Å; E247-D249 WeakPolarHBondContact CB-OD1 3.07Å; E247-D249 PolarHBondContact O-N 3.24Å; D249-A253 WeakPolarHBondContact O-CB 3.39Å; D249-A253 PolarHBondContact O-N 2.9Å; D249-A253 VanDerWaalsContact O-N 3.07Å
250I86.1Confident88.4Confident9 Ų948.4 Ų48.45%0.04625%0.247CC..Hα-helixtrans-76.3-37-178.4-67.8166000111.2P211 I245 E247 K248 V254 R301P211-I250 HydrophobicContact CB-CD1 3.32Å; P211-I250 HydrophobicContact CB-CG1 4.15Å; P211-I250 HydrophobicContact CG-CD1 3.82Å; I245-I250 HydrophobicContact CB-CD1 4.44Å; I245-I250 HydrophobicContact CG2-CD1 3.58Å; E247-I250 HydrophobicContact CB-CD1 4.19Å; E247-I250 PolarHBondContact O-N 3.12Å; K248-I250 VanDerWaalsContact C-N 3.32Å; K248-I250 PolarHBondContact O-N 2.93Å; I250-V254 PolarHBondContact O-N 3.19Å; I250-R301 HydrophobicContact CG2-CG 3.47Å; I250-R301 VanDerWaalsContact CG2-CG 3.47Å
251V87.7Confident87.6Confident26 Ų2649.8 Ų49.816%0.15825%0.253CS..Hα-helixtrans-62.2-51.5175.1175.70000109.8E247 K248 A253 V254 E255E247-V251 WeakPolarHBondContact O-CG2 3.33Å; E247-V251 PolarHBondContact O-N 3.32Å; K248-V251 PolarHBondContact O-N 3.22Å; V251-A253 PolarHBondContact O-N 3.47Å; V251-V254 PolarHBondContact O-N 3.31Å; V251-E255 HydrophobicContact CG1-CG 4.32Å; V251-E255 VanDerWaalsContact CG1-OE1 3.25Å; V251-E255 WeakPolarHBondContact CG1-OE1 3.47Å; V251-E255 WeakPolarHBondContact O-CB 3.3Å; V251-E255 WeakPolarHBondContact O-CG 3.48Å; V251-E255 PolarHBondContact O-N 2.81Å
252E89.7Confident86.6Confident80 Ų8050.8 Ų50.837%0.37426%0.264SS..Hα-helixtrans-61.3-43.2-179.9-73.7176.5176.700111.7K248 V254 E255 Q256K248-E252 WeakPolarHBondContact CE-OE1 3.41Å; K248-E252 HydrophobicContact CG-CG 4.31Å; K248-E252 WeakPolarHBondContact CG-OE1 3.26Å; K248-E252 IonicContact NZ-OE1 3.84Å; K248-E252 WeakPolarHBondContact O-CB 3.32Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.29Å; E252-V254 VanDerWaalsContact C-N 3.31Å; E252-V254 PolarHBondContact O-N 2.64Å; E252-E255 PolarHBondContact O-N 2.83Å; E252-Q256 VanDerWaalsContact O-CG 3.31Å; E252-Q256 WeakPolarHBondContact O-CG 3.38Å; E252-Q256 PolarHBondContact O-N 2.93Å
253A86.2Confident85.6Confident26 Ų2659 Ų5922%0.21530%0.3CS..Hα-helixtrans-60-39.7176.700000112.7D249 V251 L257 V298D249-A253 WeakPolarHBondContact O-CB 3.39Å; D249-A253 PolarHBondContact O-N 2.9Å; D249-A253 VanDerWaalsContact O-N 3.07Å; V251-A253 PolarHBondContact O-N 3.47Å; A253-L257 PolarHBondContact O-N 3.07Å; A253-V298 HydrophobicContact CB-CG1 4.09Å
254V84.5Confident84Confident16 Ų1663.3 Ų63.310%0.09732%0.323CS..Hα-helixtrans-75-35.4175.9166.30000112.3I250 V251 E252 Q256 L257 T258 L276 V298 R301I250-V254 PolarHBondContact O-N 3.19Å; V251-V254 PolarHBondContact O-N 3.31Å; E252-V254 VanDerWaalsContact C-N 3.31Å; E252-V254 PolarHBondContact O-N 2.64Å; V254-Q256 VanDerWaalsContact C-N 3.32Å; V254-Q256 PolarHBondContact O-N 3.02Å; V254-L257 WeakPolarHBondContact O-CB 3.24Å; V254-L257 PolarHBondContact O-N 3.32Å; V254-L257 VanDerWaalsContact O-N 3.17Å; V254-T258 PolarHBondContact O-N 3.06Å; V254-T258 VanDerWaalsContact O-N 3.07Å; V254-T258 PolarHBondContact O-OG1 3.16Å; V254-L276 HydrophobicContact CG1-CD1 4.16Å; V254-L276 HydrophobicContact CG1-CD2 4.37Å; V254-V298 HydrophobicContact CG2-CG1 3.56Å; V254-R301 HydrophobicContact CG2-CG 3.73Å
255E86.4Confident82.6Confident117 Ų11763.8 Ų63.855%0.54733%0.325SS..Hα-helixtrans-64.5-37.5174.9-75.9174.9-179.300111.4V251 E252 L257 T258 P259V251-E255 HydrophobicContact CG1-CG 4.32Å; V251-E255 VanDerWaalsContact CG1-OE1 3.25Å; V251-E255 WeakPolarHBondContact CG1-OE1 3.47Å; V251-E255 WeakPolarHBondContact O-CB 3.3Å; V251-E255 WeakPolarHBondContact O-CG 3.48Å; V251-E255 PolarHBondContact O-N 2.81Å; E252-E255 PolarHBondContact O-N 2.83Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.47Å; E255-T258 WeakPolarHBondContact O-CB 3.36Å; E255-T258 PolarHBondContact O-N 2.88Å; E255-T258 VanDerWaalsContact O-N 3.12Å; E255-P259 WeakPolarHBondContact O-CD 3.29Å
256Q87.5Confident80.5Confident147 Ų14769.3 Ų69.369%0.68735%0.353SS*.Hα-helixtrans-63.6-30.3172.7-72176.21200113.3E252 V254E252-Q256 VanDerWaalsContact O-CG 3.31Å; E252-Q256 WeakPolarHBondContact O-CG 3.38Å; E252-Q256 PolarHBondContact O-N 2.93Å; V254-Q256 VanDerWaalsContact C-N 3.32Å; V254-Q256 PolarHBondContact O-N 3.02Å
257L83.3Confident78.5Confident22 Ų2269.9 Ų69.912%0.11537%0.368CS..Hα-helixtrans-78-25.1173.8-72.7-176.7000113.4A253 V254 E255 L260 M261 F295 V298A253-L257 PolarHBondContact O-N 3.07Å; V254-L257 WeakPolarHBondContact O-CB 3.24Å; V254-L257 PolarHBondContact O-N 3.32Å; V254-L257 VanDerWaalsContact O-N 3.17Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.47Å; L257-L260 HydrophobicContact CD2-CD1 4.1Å; L257-L260 CarbonylContact O-C 3.55Å; L257-L260 WeakPolarHBondContact O-CA 3.17Å; L257-L260 WeakPolarHBondContact O-CB 3.32Å; L257-L260 PolarHBondContact O-N 3.38Å; L257-M261 PolarHBondContact O-N 2.82Å; L257-F295 HydrophobicContact CB-CD1 4.31Å; L257-F295 HydrophobicContact CB-CE1 4.39Å; L257-F295 HydrophobicContact CD1-CD1 3.96Å; L257-F295 HydrophobicContact CD2-CD1 3.82Å; L257-F295 HydrophobicContact CD2-CE1 4.17Å; L257-F295 HydrophobicContact CG-CD1 4.26Å; L257-V298 HydrophobicContact CD1-CB 3.33Å; L257-V298 HydrophobicContact CD1-CG1 3.88Å; L257-V298 HydrophobicContact CD1-CG2 3.19Å; L257-V298 HydrophobicContact CD2-CG2 4.05Å; L257-V298 HydrophobicContact CG-CB 4.27Å; L257-V298 HydrophobicContact CG-CG2 3.6Å
258T80.9Confident76.4Confident77 Ų7772 Ų7247%0.47238%0.383SS..Hα-helixtrans-59.6-41.7-172-61.50000112.3V254 E255 L260 M261 G262V254-T258 PolarHBondContact O-N 3.06Å; V254-T258 VanDerWaalsContact O-N 3.07Å; V254-T258 PolarHBondContact O-OG1 3.16Å; E255-T258 WeakPolarHBondContact O-CB 3.36Å; E255-T258 PolarHBondContact O-N 2.88Å; E255-T258 VanDerWaalsContact O-N 3.12Å; T258-L260 VanDerWaalsContact C-N 3.34Å; T258-L260 PolarHBondContact O-N 3.31Å; T258-M261 PolarHBondContact O-N 3.08Å; T258-G262 PolarHBondContact O-N 3.49Å
259P84.3Confident74.3Confident78 Ų7868.4 Ų68.451%0.50637%0.371SS..Hα-helixtrans-63.1-35.4171.2-24.333.4000114E255 G262 K263E255-P259 WeakPolarHBondContact O-CD 3.29Å; P259-G262 PolarHBondContact O-N 3.44Å; P259-K263 WeakPolarHBondContact O-CG 3.34Å; P259-K263 PolarHBondContact O-N 2.67Å
260L79.6Confident72.2Confident81 Ų8168.4 Ų68.442%0.42438%0.38SS..Hα-helixtrans-70.3-38.2177.4-63.2177.7000111.4L257 T258 N264 F295L257-L260 HydrophobicContact CD2-CD1 4.1Å; L257-L260 CarbonylContact O-C 3.55Å; L257-L260 WeakPolarHBondContact O-CA 3.17Å; L257-L260 WeakPolarHBondContact O-CB 3.32Å; L257-L260 PolarHBondContact O-N 3.38Å; T258-L260 VanDerWaalsContact C-N 3.34Å; T258-L260 PolarHBondContact O-N 3.31Å; L260-N264 PolarHBondContact O-N 3.49Å; L260-F295 HydrophobicContact CB-CE1 3.94Å; L260-F295 HydrophobicContact CB-CZ 4.16Å
261M74.9Confident70.2Confident37 Ų3773.8 Ų73.818%0.18241%0.414CS..Hα-helixtrans-63.6-49169.9-70-172.278.400109.6L257 T258 K263 N264 I265 F275 F295L257-M261 PolarHBondContact O-N 2.82Å; T258-M261 PolarHBondContact O-N 3.08Å; M261-K263 PolarHBondContact O-N 3.29Å; M261-N264 PolarHBondContact O-N 3.14Å; M261-N264 VanDerWaalsContact O-N 3.15Å; M261-I265 HydrophobicContact CB-CD1 4.01Å; M261-I265 HydrophobicContact CE-CD1 3.63Å; M261-I265 HydrophobicContact CG-CD1 4.24Å; M261-I265 WeakPolarHBondContact O-CA 3.22Å; M261-I265 WeakPolarHBondContact O-CB 3.49Å; M261-I265 WeakPolarHBondContact O-CG1 3.48Å; M261-I265 PolarHBondContact O-N 3.33Å; M261-F275 HydrophobicContact CE-CD2 4.28Å; M261-F295 HydrophobicContact CB-CE1 4.24Å; M261-F295 HydrophobicContact CB-CZ 4.34Å; M261-F295 HydrophobicContact CG-CD1 3.85Å; M261-F295 HydrophobicContact CG-CE1 3.24Å; M261-F295 HydrophobicContact CG-CZ 3.65Å; M261-F295 HydrophobicContact SD-CE1 4.49Å
262G72.7Confident68.2Low23 Ų2382.3 Ų82.324%0.23744%0.443CS..Hα-helixtrans-55.9-46.3179.800000112.9T258 P259 N264 M266T258-G262 PolarHBondContact O-N 3.49Å; P259-G262 PolarHBondContact O-N 3.44Å; G262-N264 VanDerWaalsContact C-N 3.31Å; G262-N264 PolarHBondContact O-N 3.44Å; G262-M266 WeakPolarHBondContact O-CB 3.36Å; G262-M266 WeakPolarHBondContact O-CG 3.15Å; G262-M266 PolarHBondContact O-N 3.34Å
263K70.4Confident66.2Low173 Ų17381.7 Ų81.775%0.75245%0.448SS*.Hα-helixtrans-64.5-32179.1-74.5-178.2179.6-175.40113.8P259 M261P259-K263 WeakPolarHBondContact O-CG 3.34Å; P259-K263 PolarHBondContact O-N 2.67Å; M261-K263 PolarHBondContact O-N 3.29Å
264N62Low64.8Low90 Ų9084.4 Ų84.448%0.48146%0.456SS..Hα-helixtrans-93.4-30.7-179.2-75.1-15.1000113.6L260 M261 G262 S267 T268L260-N264 PolarHBondContact O-N 3.49Å; M261-N264 PolarHBondContact O-N 3.14Å; M261-N264 VanDerWaalsContact O-N 3.15Å; G262-N264 VanDerWaalsContact C-N 3.31Å; G262-N264 PolarHBondContact O-N 3.44Å; N264-S267 PolarHBondContact O-OG 2.75Å; N264-T268 PolarHBondContact O-OG1 2.93Å
265I62.4Low63.4Low22 Ų2289.9 Ų89.911%0.11348%0.479CS..Hα-helixtrans-108.6-32.1-166.7-61.2176000111.8M261 S267 T268 L269 E289M261-I265 HydrophobicContact CB-CD1 4.01Å; M261-I265 HydrophobicContact CE-CD1 3.63Å; M261-I265 HydrophobicContact CG-CD1 4.24Å; M261-I265 WeakPolarHBondContact O-CA 3.22Å; M261-I265 WeakPolarHBondContact O-CB 3.49Å; M261-I265 WeakPolarHBondContact O-CG1 3.48Å; M261-I265 PolarHBondContact O-N 3.33Å; I265-S267 PolarHBondContact O-N 3.46Å; I265-T268 PolarHBondContact O-N 3.18Å; I265-L269 HydrophobicContact CG2-CB 3.7Å; I265-L269 HydrophobicContact CG2-CD1 3.76Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 PolarHBondContact O-N 3.43Å; I265-E289 WeakPolarHBondContact CA-OE2 3.2Å
266M49.8Very low62.1Low118 Ų11887.6 Ų87.658%0.58147%0.47SS*.THydrogen-bonded Turntrans-68.5-21.2178.9-69.4-94.5-137.500112.6G262 T268 T271G262-M266 WeakPolarHBondContact O-CB 3.36Å; G262-M266 WeakPolarHBondContact O-CG 3.15Å; G262-M266 PolarHBondContact O-N 3.34Å; M266-T268 PolarHBondContact O-N 3.45Å; M266-T271 HydrophobicContact CE-CG2 4.27Å; M266-T271 HydrophobicContact SD-CG2 4.05Å
267S50.4Low60.8Low100 Ų10081.7 Ų81.770%0.69945%0.447SS*.THydrogen-bonded Turntrans-62.8-20.8169.745.70000112.9N264 I265N264-S267 PolarHBondContact O-OG 2.75Å; I265-S267 PolarHBondContact O-N 3.46Å
268T48.6Very low59.9Low81 Ų8182.1 Ų82.150%0.49746%0.456SS..THydrogen-bonded Turntrans-133.2-26.4-158.7-12.90000114.2N264 I265 M266 E289N264-T268 PolarHBondContact O-OG1 2.93Å; I265-T268 PolarHBondContact O-N 3.18Å; M266-T268 PolarHBondContact O-N 3.45Å; T268-E289 WeakPolarHBondContact CB-OE1 2.87Å; T268-E289 WeakPolarHBondContact CG2-OE1 3.48Å; T268-E289 PolarHBondContact OG1-OE1 3.17Å
269L46.1Very low59.3Low71 Ų7180.5 Ų80.537%0.37245%0.448SS..SBendtrans-124.4-3.9-168.8-89.5172.8000116I265 T287 E289I265-L269 HydrophobicContact CG2-CB 3.7Å; I265-L269 HydrophobicContact CG2-CD1 3.76Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 PolarHBondContact O-N 3.43Å; L269-T287 VanDerWaalsContact CD1-O 3.29Å; L269-T287 WeakPolarHBondContact CD1-O 3.4Å; L269-T287 WeakPolarHBondContact CD2-O 3.06Å; L269-T287 VanDerWaalsContact CG-O 3.31Å; L269-T287 WeakPolarHBondContact CG-O 3.25Å; L269-E289 HydrophobicContact CD1-CG 4.38Å
270G42.8Very low58.8Low42 Ų4282.2 Ų82.243%0.43346%0.462SS..THydrogen-bonded Turntrans61-179.7-174.600000112.7R272G270-R272 PolarHBondContact O-N 3.4Å
271T43.7Very low58.7Low123 Ų12381.9 Ų81.976%0.75546%0.463SS*.THydrogen-bonded Turntrans-6915.9-16340.40000117.3M266M266-T271 HydrophobicContact CE-CG2 4.27Å; M266-T271 HydrophobicContact SD-CG2 4.05Å
272R45.9Very low58.9Low204 Ų20488.6 Ų88.677%0.7750%0.499SS*.  trans-125.271.5-171.2-68.6-173.4175.2-175.6-0.2113.8G270 H274G270-R272 PolarHBondContact O-N 3.4Å; R272-H274 PolarHBondContact O-CD2 3Å; R272-H274 PolarHBondContact O-N 3.19Å
273S47.1Very low59.2Low67 Ų6790.9 Ų90.947%0.46951%0.508SS..  trans-80.2116.3165-175.30000110.6F275S273-F275 VanDerWaalsContact C-N 3.34Å
274H56.8Low59.8Low84 Ų8486.8 Ų86.839%0.38950%0.499SS..  trans-87.44.3-178.4-75.5-85.9000114.3R272 L276 A277R272-H274 PolarHBondContact O-CD2 3Å; R272-H274 PolarHBondContact O-N 3.19Å; H274-L276 PolarHBondContact O-N 3.32Å; H274-A277 PolarHBondContact O-N 2.85Å; H274-A277 VanDerWaalsContact O-N 3.17Å
275F55.6Low60.7Low130 Ų13087.6 Ų87.657%0.5750%0.503SS*.THydrogen-bonded Turntrans-55.2-14.4-170.1-100.2-88.9000115.6W208 M261 S273 L291W208-F275 HydrophobicContact CH2-CE1 4.24Å; M261-F275 HydrophobicContact CE-CD2 4.28Å; S273-F275 VanDerWaalsContact C-N 3.34Å; F275-L291 HydrophobicContact CZ-CD1 4.35Å
276L59.5Low61.7Low69 Ų6991.4 Ų91.436%0.36154%0.538SS..THydrogen-bonded Turntrans-109.6-17.7-173.8-63172.8000114.2I244 V254 H274 R301I244-L276 HydrophobicContact CD1-CB 4.14Å; I244-L276 WeakPolarHBondContact CD1-O 3.36Å; I244-L276 VanDerWaalsContact CG1-O 3.26Å; I244-L276 WeakPolarHBondContact CG1-O 3.15Å; V254-L276 HydrophobicContact CG1-CD1 4.16Å; V254-L276 HydrophobicContact CG1-CD2 4.37Å; H274-L276 PolarHBondContact O-N 3.32Å; L276-R301 HydrophobicContact CD2-CB 4.12Å; L276-R301 HydrophobicContact CD2-CG 4.33Å
277A60.8Low63.2Low24 Ų2488.1 Ų88.120%0.19852%0.524CS..SBendtrans-91.5-5.1-162.300000115.2M233 H274 S279M233-A277 HydrophobicContact CE-CB 4.07Å; H274-A277 PolarHBondContact O-N 2.85Å; H274-A277 VanDerWaalsContact O-N 3.17Å; A277-S279 PolarHBondContact O-N 3.42Å
278G63.7Low64.7Low31 Ų3187.4 Ų87.432%0.3251%0.512SS..  trans50.819-172.300000114.8K236K236-G278 WeakPolarHBondContact CE-O 3.22Å
279S69Low66.3Low42 Ų4286.7 Ų86.729%0.29450%0.503SS..  trans-80.7132.5166.354.50000108.9A277A277-S279 PolarHBondContact O-N 3.42Å
280S73.3Confident68Low115 Ų11587.6 Ų87.680%0.80451%0.513SS*.  trans-80.7127.8164.548.40000108.9
281V76.3Confident69.8Low73 Ų7386.6 Ų86.644%0.44250%0.498SS..  trans-125.3134.8174.8-178.40000107.7V283V281-V283 HydrophobicContact CG1-CG1 4.07Å; V281-V283 PolarHBondContact O-N 3.27Å
282L79.8Confident71.7Confident178 Ų17882.4 Ų82.493%0.93247%0.474SS*.  trans-76.1121.7170.4-70.9172.9000108.5
283V79.8Confident73.6Confident72 Ų7276.8 Ų76.844%0.43646%0.464SS..  trans-127.1137179.6-67.60000109.7V281 L288V281-V283 HydrophobicContact CG1-CG1 4.07Å; V281-V283 PolarHBondContact O-N 3.27Å; V283-L288 HydrophobicContact CG2-CD2 3.63Å; V283-L288 HydrophobicContact CG2-CG 4.17Å
284P82.8Confident75.5Confident87 Ų8780.3 Ų80.357%0.56547%0.47SS*.  trans-60.1140.9174.2-20.731.3000110.8A286 T287P284-A286 PolarHBondContact O-N 3.49Å; P284-A286 VanDerWaalsContact O-N 3.12Å; P284-T287 HydrophobicContact CB-CG2 4.12Å; P284-T287 HydrophobicContact CG-CG2 4.13Å; P284-T287 WeakPolarHBondContact O-CB 3.43Å; P284-T287 PolarHBondContact O-N 3.06Å; P284-T287 PolarHBondContact O-OG1 3.36Å
285L80.8Confident76.8Confident106 Ų10677 Ų7756%0.55546%0.455SS*.G310 helixtrans-54.9-35.5179.8-177.860.6000112.5T287 L288L285-T287 PolarHBondContact O-N 2.81Å; L285-L288 HydrophobicContact CD1-CD1 4.05Å; L285-L288 WeakPolarHBondContact O-CB 3.09Å; L285-L288 PolarHBondContact O-N 3.32Å
286A83.9Confident78.2Confident103 Ų10371.4 Ų71.485%0.85143%0.432SS*.G310 helixtrans-64.9-15177.600000114.6P284P284-A286 PolarHBondContact O-N 3.49Å; P284-A286 VanDerWaalsContact O-N 3.12Å
287T81.5Confident79.4Confident48 Ų4874.7 Ų74.729%0.29444%0.443SS..G310 helixtrans-90.6-13.4175.865.80000112.3L269 P284 L285L269-T287 VanDerWaalsContact CD1-O 3.29Å; L269-T287 WeakPolarHBondContact CD1-O 3.4Å; L269-T287 WeakPolarHBondContact CD2-O 3.06Å; L269-T287 VanDerWaalsContact CG-O 3.31Å; L269-T287 WeakPolarHBondContact CG-O 3.25Å; P284-T287 HydrophobicContact CB-CG2 4.12Å; P284-T287 HydrophobicContact CG-CG2 4.13Å; P284-T287 WeakPolarHBondContact O-CB 3.43Å; P284-T287 PolarHBondContact O-N 3.06Å; P284-T287 PolarHBondContact O-OG1 3.36Å; L285-T287 PolarHBondContact O-N 2.81Å
288L81.5Confident80.5Confident85 Ų8574.7 Ų74.745%0.44544%0.441SS..  trans-79.9131.3-179.5-65.4-179.7000110.6V283 L285V283-L288 HydrophobicContact CG2-CD2 3.63Å; V283-L288 HydrophobicContact CG2-CG 4.17Å; L285-L288 HydrophobicContact CD1-CD1 4.05Å; L285-L288 WeakPolarHBondContact O-CB 3.09Å; L285-L288 PolarHBondContact O-N 3.32Å
289E80.8Confident81.6Confident67 Ų6774.4 Ų74.431%0.31343%0.433SS..  trans-106.1146.7173.4-65.8-165.113300111.6I265 T268 L269 L291I265-E289 WeakPolarHBondContact CA-OE2 3.2Å; T268-E289 WeakPolarHBondContact CB-OE1 2.87Å; T268-E289 WeakPolarHBondContact CG2-OE1 3.48Å; T268-E289 PolarHBondContact OG1-OE1 3.17Å; L269-E289 HydrophobicContact CD1-CG 4.38Å; E289-L291 PolarHBondContact O-N 3.23Å
290P81.6Confident82.4Confident89 Ų8975.6 Ų75.658%0.57843%0.434SS*.PPolyproline II helixtrans-62.7127.5171.827.4-33.2000109.4
291L82Confident83.2Confident22 Ų2271.1 Ų71.112%0.11540%0.4CS..PPolyproline II helixtrans-74.2133.9179-16773.6000110.3M206 W208 F275 E289 F295M206-L291 WeakPolarHBondContact CE-O 2.85Å; M206-L291 HydrophobicContact SD-CB 4.25Å; W208-L291 HydrophobicContact CH2-CD2 3Å; W208-L291 HydrophobicContact CH2-CG 4.49Å; W208-L291 HydrophobicContact CZ2-CD2 3.18Å; W208-L291 HydrophobicContact CZ3-CD2 4.11Å; F275-L291 HydrophobicContact CZ-CD1 4.35Å; E289-L291 PolarHBondContact O-N 3.23Å; L291-F295 HydrophobicContact CD1-CB 3.93Å; L291-F295 HydrophobicContact CD1-CD2 3.44Å; L291-F295 VanDerWaalsContact CD1-CD2 3.44Å; L291-F295 HydrophobicContact CD1-CE2 4.19Å; L291-F295 HydrophobicContact CD1-CG 3.89Å; L291-F295 HydrophobicContact CD2-CB 3.88Å; L291-F295 HydrophobicContact CG-CB 3.84Å; L291-F295 HydrophobicContact CG-CD2 3.74Å; L291-F295 HydrophobicContact CG-CG 4.18Å
292S83.4Confident83.9Confident35 Ų3568.6 Ų68.625%0.24539%0.388CS..PPolyproline II helixtrans-64.1138.2171.9-176.50000111.2K294 F295S292-K294 PolarHBondContact O-N 2.83Å; S292-K294 PolarHBondContact OG-N 3.42Å; S292-F295 WeakPolarHBondContact O-CB 3.02Å; S292-F295 WeakPolarHBondContact O-CD2 3.1Å; S292-F295 PolarHBondContact O-N 3.45Å
293P86.3Confident84.4Confident86 Ų8660.3 Ų60.356%0.55835%0.345SS*.Hα-helixtrans-55.9-19.2172.7-25.733.8000114.2M206 F295 S296M206-P293 HydrophobicContact CE-CG 4.22Å; P293-F295 PolarHBondContact O-N 3.08Å; P293-S296 PolarHBondContact O-N 3.38Å; P293-S296 PolarHBondContact O-OG 3.17Å
294K85.7Confident85Confident141 Ų14159.8 Ų59.861%0.61334%0.339SS*.Hα-helixtrans-63.6-31.2173.7-67.1-177.7-179.8178.60112.3S292 K297S292-K294 PolarHBondContact O-N 2.83Å; S292-K294 PolarHBondContact OG-N 3.42Å; K294-K297 WeakPolarHBondContact O-CB 3.47Å; K294-K297 PolarHBondContact O-N 3.12Å
295F84.3Confident85.5Confident14 Ų1455.7 Ų55.76%0.06131%0.312CS..Hα-helixtrans-74.1-28-179.8-62.9-60.8000112.6L257 L260 M261 L291 S292 P293 K297 V298L257-F295 HydrophobicContact CB-CD1 4.31Å; L257-F295 HydrophobicContact CB-CE1 4.39Å; L257-F295 HydrophobicContact CD1-CD1 3.96Å; L257-F295 HydrophobicContact CD2-CD1 3.82Å; L257-F295 HydrophobicContact CD2-CE1 4.17Å; L257-F295 HydrophobicContact CG-CD1 4.26Å; L260-F295 HydrophobicContact CB-CE1 3.94Å; L260-F295 HydrophobicContact CB-CZ 4.16Å; M261-F295 HydrophobicContact CB-CE1 4.24Å; M261-F295 HydrophobicContact CB-CZ 4.34Å; M261-F295 HydrophobicContact CG-CD1 3.85Å; M261-F295 HydrophobicContact CG-CE1 3.24Å; M261-F295 HydrophobicContact CG-CZ 3.65Å; M261-F295 HydrophobicContact SD-CE1 4.49Å; L291-F295 HydrophobicContact CD1-CB 3.93Å; L291-F295 HydrophobicContact CD1-CD2 3.44Å; L291-F295 VanDerWaalsContact CD1-CD2 3.44Å; L291-F295 HydrophobicContact CD1-CE2 4.19Å; L291-F295 HydrophobicContact CD1-CG 3.89Å; L291-F295 HydrophobicContact CD2-CB 3.88Å; L291-F295 HydrophobicContact CG-CB 3.84Å; L291-F295 HydrophobicContact CG-CD2 3.74Å; L291-F295 HydrophobicContact CG-CG 4.18Å; S292-F295 WeakPolarHBondContact O-CB 3.02Å; S292-F295 WeakPolarHBondContact O-CD2 3.1Å; S292-F295 PolarHBondContact O-N 3.45Å; P293-F295 PolarHBondContact O-N 3.08Å; F295-K297 PolarHBondContact O-N 3.24Å; F295-V298 PolarHBondContact O-N 2.63Å
296S84.6Confident86.1Confident12 Ų1252.2 Ų52.28%0.08430%0.295CS..Hα-helixtrans-71.6-15.517988.20000113D207 P293 V298D207-S296 WeakPolarHBondContact O-CB 2.96Å; D207-S296 PolarHBondContact O-OG 3.44Å; D207-S296 VanDerWaalsContact O-OG 3.09Å; P293-S296 PolarHBondContact O-N 3.38Å; P293-S296 PolarHBondContact O-OG 3.17Å; S296-V298 VanDerWaalsContact C-N 3.25Å; S296-V298 PolarHBondContact O-N 3.02Å
297K85.4Confident86.7Confident139 Ų13947.6 Ų47.660%0.60426%0.255SS*.THydrogen-bonded Turntrans-69.4-20.4173.4-62.6-172.8178.9-173.90113.3K294 F295K294-K297 WeakPolarHBondContact O-CB 3.47Å; K294-K297 PolarHBondContact O-N 3.12Å; F295-K297 PolarHBondContact O-N 3.24Å
298V84.9Confident87.3Confident24 Ų2446.8 Ų46.815%0.14525%0.251CS..SBendtrans-96.2127.7179.4177.50000109.7A253 V254 L257 F295 S296A253-V298 HydrophobicContact CB-CG1 4.09Å; V254-V298 HydrophobicContact CG2-CG1 3.56Å; L257-V298 HydrophobicContact CD1-CB 3.33Å; L257-V298 HydrophobicContact CD1-CG1 3.88Å; L257-V298 HydrophobicContact CD1-CG2 3.19Å; L257-V298 HydrophobicContact CD2-CG2 4.05Å; L257-V298 HydrophobicContact CG-CB 4.27Å; L257-V298 HydrophobicContact CG-CG2 3.6Å; F295-V298 PolarHBondContact O-N 2.63Å; S296-V298 VanDerWaalsContact C-N 3.25Å; S296-V298 PolarHBondContact O-N 3.02Å
299P85.4Confident87.8Confident25 Ų2548.5 Ų48.516%0.16226%0.26CS..PPolyproline II helixtrans-60.2143.9-178.4-23.532.1000113S209 P211 R301S209-P299 CarbonylContact O-C 3.44Å; S209-P299 VanDerWaalsContact O-CA 3.23Å; S209-P299 WeakPolarHBondContact O-CA 3.07Å; P211-P299 HydrophobicContact CB-CB 4.22Å; P211-P299 HydrophobicContact CG-CB 4.39Å; P299-R301 PolarHBondContact O-N 3.37Å
300Q87.2Confident88.4Confident67 Ų6745.7 Ų45.731%0.31325%0.248SC..PPolyproline II helixtrans-65.2129.4174.3-64.6-169.87.200110.6W208 S209 W210 P211W208-Q300 HydrophobicContact CE3-CG 3.98Å; W208-Q300 HydrophobicContact CZ3-CG 4.39Å; S209-Q300 PolarHBondContact O-N 2.87Å; W210-Q300 HydrophobicContact CD2-CB 4Å; W210-Q300 HydrophobicContact CE3-CB 3.84Å; W210-Q300 HydrophobicContact CH2-CB 3.83Å; W210-Q300 HydrophobicContact CZ2-CB 3.98Å; W210-Q300 HydrophobicContact CZ2-CG 4.5Å; W210-Q300 HydrophobicContact CZ3-CB 3.73Å; P211-Q300 WeakPolarHBondContact CD-O 3.27Å
301R88.9Confident88.7Confident21 Ų2143.2 Ų43.28%0.07923%0.231CC..  trans-84.1-28.6-175.3-68.3-171.455.7-178.75.6114.5I244 I245 I250 V254 L276 P299I244-R301 WeakPolarHBondContact CA-O 3.42Å; I244-R301 HydrophobicContact CG2-CB 4.43Å; I245-R301 WeakPolarHBondContact CG1-O 3.4Å; I245-R301 PolarHBondContact N-O 3.3Å; I245-R301 PolarHBondContact O-NE 3.49Å; I245-R301 PolarHBondContact O-NH2 2.9Å; I250-R301 HydrophobicContact CG2-CG 3.47Å; I250-R301 VanDerWaalsContact CG2-CG 3.47Å; V254-R301 HydrophobicContact CG2-CG 3.73Å; L276-R301 HydrophobicContact CD2-CB 4.12Å; L276-R301 HydrophobicContact CD2-CG 4.33Å; P299-R301 PolarHBondContact O-N 3.37Å
302G90.3Very high88.8Confident20 Ų2044.7 Ų44.721%0.20624%0.242CC..EExtended strand (participates in β ladder)trans-107.9112.4-166.400000111.4W210 L243W210-G302 WeakPolarHBondContact CH2-O 3.49Å; W210-G302 VanDerWaalsContact CZ3-C 3.49Å; W210-G302 WeakPolarHBondContact CZ3-O 3.47Å; L243-G302 CarbonylContact O-C 3.43Å; L243-G302 WeakPolarHBondContact O-CA 3.36Å
303F90.9Very high88.4Confident4 Ų450.7 Ų50.72%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-117159.4179.964.1-80.4000111.9W210 L224 L228 V230 L243 I245 A305 V353 I355W210-F303 HydrophobicContact CE3-CB 4.12Å; W210-F303 HydrophobicContact CH2-CB 4.05Å; W210-F303 HydrophobicContact CZ3-CB 3.5Å; W210-F303 VanDerWaalsContact CZ3-CB 3.5Å; L224-F303 HydrophobicContact CD1-CE2 4.36Å; L224-F303 HydrophobicContact CD1-CZ 4.37Å; L228-F303 HydrophobicContact CD1-CE1 4.39Å; V230-F303 HydrophobicContact CG1-CE1 4.25Å; V230-F303 HydrophobicContact CG1-CZ 4.32Å; L243-F303 HydrophobicContact CB-CD1 4.37Å; L243-F303 HydrophobicContact CB-CE1 3.93Å; L243-F303 HydrophobicContact CB-CE2 4.38Å; L243-F303 HydrophobicContact CB-CZ 3.94Å; L243-F303 HydrophobicContact CD1-CE2 3.97Å; L243-F303 HydrophobicContact CD1-CZ 3.76Å; L243-F303 HydrophobicContact CG-CZ 4.45Å; L243-F303 PolarHBondContact N-O 2.92Å; L243-F303 PolarHBondContact O-N 3.14Å; I245-F303 HydrophobicContact CD1-CD1 3.99Å; I245-F303 HydrophobicContact CD1-CE1 3.93Å; I245-F303 HydrophobicContact CG1-CD1 4.03Å; I245-F303 HydrophobicContact CG1-CE1 3.66Å; F303-A305 HydrophobicContact CD2-CB 4.14Å; F303-A305 HydrophobicContact CE2-CB 3.81Å; F303-V353 HydrophobicContact CD2-CB 4.24Å; F303-V353 HydrophobicContact CD2-CG2 3.9Å; F303-V353 HydrophobicContact CE2-CB 4.33Å; F303-V353 HydrophobicContact CE2-CG2 4.4Å; F303-I355 HydrophobicContact CE2-CG2 4.5Å
304L91.8Very high87.6Confident61 Ų6147 Ų4732%0.31924%0.237SC..EExtended strand (participates in β ladder)trans-88.2131.2171.3-67.7173.3000109.5K236 F241 K352 V353K236-L304 HydrophobicContact CD-CD2 4.04Å; F241-L304 WeakPolarHBondContact O-CA 3.35Å; L304-K352 HydrophobicContact CB-CG 4.27Å; L304-K352 WeakPolarHBondContact O-CA 3.42Å; L304-V353 PolarHBondContact O-N 3.08Å
305A94.3Very high87Confident0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-127.8144.8-179.400000110.9T240 F241 L243 F303 V353 I355T240-A305 WeakPolarHBondContact CA-O 3.17Å; F241-A305 PolarHBondContact N-O 3.12Å; F241-A305 PolarHBondContact O-N 3.34Å; L243-A305 HydrophobicContact CD1-CB 3.68Å; L243-A305 HydrophobicContact CG-CB 4.13Å; F303-A305 HydrophobicContact CD2-CB 4.14Å; F303-A305 HydrophobicContact CE2-CB 3.81Å; A305-V353 CarbonylContact C-O 3.57Å; A305-V353 VanDerWaalsContact CA-O 3.22Å; A305-V353 WeakPolarHBondContact CA-O 3.47Å; A305-I355 HydrophobicContact CB-CD1 3.53Å; A305-I355 HydrophobicContact CB-CG1 3.85Å; A305-I355 HydrophobicContact CB-CG2 4.21Å
306D93.8Very high86.3Confident34 Ų3445.2 Ų45.218%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-108.5129.4170-87-16.1000110.6N239 T240 V308 K352 V353 P354 I355N239-D306 CarbonylContact O-C 3.45Å; N239-D306 WeakPolarHBondContact O-CA 3.44Å; T240-D306 WeakPolarHBondContact CA-OD1 2.88Å; T240-D306 WeakPolarHBondContact CB-OD1 3.37Å; T240-D306 PolarHBondContact OG1-OD1 3.18Å; D306-V308 PolarHBondContact O-N 3.29Å; D306-K352 HydrophobicContact CB-CB 4.26Å; D306-K352 VanDerWaalsContact CG-CD 3.41Å; D306-K352 VanDerWaalsContact OD1-CD 3.27Å; D306-K352 WeakPolarHBondContact OD1-CD 3.26Å; D306-K352 IonicContact OD1-NZ 3.68Å; D306-K352 WeakPolarHBondContact OD2-CD 3.32Å; D306-K352 IonicContact OD2-NZ 3.03Å; D306-V353 PolarHBondContact N-O 3.29Å; D306-P354 CarbonylContact O-C 3.41Å; D306-P354 VanDerWaalsContact O-CA 3.3Å; D306-P354 WeakPolarHBondContact O-CA 3.49Å; D306-I355 PolarHBondContact O-N 3.13Å
307L95.1Very high86Confident5 Ų547.6 Ų47.63%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-73.8120.1174.9-63-174.4000110.3N239 F241 V310 I355 L357 I372N239-L307 PolarHBondContact O-N 2.82Å; F241-L307 HydrophobicContact CD2-CD1 3.95Å; F241-L307 HydrophobicContact CD2-CD2 4.21Å; F241-L307 HydrophobicContact CD2-CG 3.65Å; F241-L307 HydrophobicContact CE2-CB 4.46Å; F241-L307 HydrophobicContact CE2-CD1 3.21Å; F241-L307 HydrophobicContact CE2-CD2 4.3Å; F241-L307 HydrophobicContact CE2-CG 3.39Å; F241-L307 HydrophobicContact CZ-CD1 3.65Å; F241-L307 HydrophobicContact CZ-CG 4.3Å; L307-V310 HydrophobicContact CB-CB 4.03Å; L307-V310 HydrophobicContact CB-CG2 3.62Å; L307-V310 HydrophobicContact CD1-CG2 4.06Å; L307-I355 HydrophobicContact CD2-CD1 4.08Å; L307-I355 HydrophobicContact CD2-CG1 3.96Å; L307-L357 HydrophobicContact CD2-CB 3.89Å; L307-L357 HydrophobicContact CD2-CD2 4.32Å; L307-I372 HydrophobicContact CD1-CD1 3.49Å; L307-I372 VanDerWaalsContact CD1-CD1 3.49Å
308V94.2Very high85.8Confident32 Ų3241.1 Ų41.119%0.19423%0.233CC..THydrogen-bonded Turntrans-66.8145.9172.9-1760000110.4D306 V310 A340 P354 I355 N369D306-V308 PolarHBondContact O-N 3.29Å; V308-V310 PolarHBondContact O-N 3.11Å; V308-A340 HydrophobicContact CG2-CB 3.6Å; V308-P354 HydrophobicContact CG2-CB 3.65Å; V308-I355 PolarHBondContact N-O 3.45Å; V308-N369 PolarHBondContact N-ND2 2.98Å; V308-N369 PolarHBondContact O-ND2 3.15Å
309D92.6Very high85.8Confident121 Ų12142.3 Ų42.365%0.64724%0.238SC*.THydrogen-bonded Turntrans64.210.5-179.9-49.4-46.7000116H356 A373D309-H356 IonicContact OD2-CE1 3.55Å; D309-A373 WeakPolarHBondContact O-CB 3.13Å
310V92.7Very high85.9Confident8 Ų846.1 Ų46.15%0.04826%0.257CS..  trans-99.4118.8173.6179.80000109.2L307 V308 W315 N369 I372L307-V310 HydrophobicContact CB-CB 4.03Å; L307-V310 HydrophobicContact CB-CG2 3.62Å; L307-V310 HydrophobicContact CD1-CG2 4.06Å; V308-V310 PolarHBondContact O-N 3.11Å; V310-W315 HydrophobicContact CG1-CZ2 4.42Å; V310-N369 HydrophobicContact CG2-CB 4.21Å; V310-I372 HydrophobicContact CB-CG2 4.47Å; V310-I372 HydrophobicContact CG1-CG2 3.69Å; V310-I372 HydrophobicContact CG2-CB 4.28Å; V310-I372 HydrophobicContact CG2-CG2 3.87Å
311P88.4Confident85.8Confident36 Ų3646.1 Ų46.123%0.23426%0.259CS..  trans-61.3134.5178.9-21.531.7000111.6Y313 M380P311-Y313 VanDerWaalsContact C-N 3.26Å; P311-Y313 PolarHBondContact O-N 3.37Å; P311-M380 HydrophobicContact CG-CE 4.26Å
312P84.2Confident85.8Confident53 Ų5345.1 Ų45.134%0.34426%0.255SS..THydrogen-bonded Turntrans-81.37.2-171.632.1-36.6000114.4P238P238-P312 WeakPolarHBondContact CB-O 2.98Å; P238-P312 WeakPolarHBondContact CG-O 3.4Å
313Y76Confident85.8Confident161 Ų16148 Ų4863%0.63126%0.262SS*.THydrogen-bonded Turntrans-120.76.3-170.8-29.3-79.5000114.5P311P311-Y313 VanDerWaalsContact C-N 3.26Å; P311-Y313 PolarHBondContact O-N 3.37Å
314C67.9Low85.8Confident9 Ų952.6 Ų52.66%0.06129%0.29CS..SBendtrans-948.8-165.2-57.20000116C376 M380C314-C376 HydrophobicContact CB-CB 3.74Å; C314-M380 VanDerWaalsContact SG-CE 3.56Å; C314-M380 PolarHBondContact SG-SD 3.13Å
315W73.4Confident85.9Confident3 Ų350.4 Ų50.41%0.01128%0.278CS..  trans-128.4-7.5-160.8-52.679.6000115.5P238 V310 G317 F318 I319 F322 I372 C376P238-W315 VanDerWaalsContact CA-NE1 3.3Å; P238-W315 HydrophobicContact CB-CB 4.44Å; P238-W315 HydrophobicContact CB-CG 3.88Å; P238-W315 HydrophobicContact CG-CB 3.95Å; P238-W315 HydrophobicContact CG-CG 3.92Å; P238-W315 PolarHBondContact O-NE1 3.27Å; V310-W315 HydrophobicContact CG1-CZ2 4.42Å; W315-G317 PolarHBondContact O-N 3.08Å; W315-F318 PolarHBondContact O-N 2.78Å; W315-I319 PolarHBondContact O-N 2.89Å; W315-F322 HydrophobicContact CD2-CD1 4.49Å; W315-F322 HydrophobicContact CD2-CG 4.48Å; W315-F322 HydrophobicContact CE3-CB 3.65Å; W315-F322 AromaticContact CE3-CD1 3.87Å; W315-F322 HydrophobicContact CE3-CD1 3.87Å; W315-F322 AromaticContact CE3-CD2 3.79Å; W315-F322 HydrophobicContact CE3-CD2 3.79Å; W315-F322 HydrophobicContact CE3-CE1 4.42Å; W315-F322 HydrophobicContact CE3-CE2 4.32Å; W315-F322 AromaticContact CE3-CG 3.49Å; W315-F322 HydrophobicContact CE3-CG 3.49Å; W315-F322 VanDerWaalsContact CE3-CG 3.49Å; W315-F322 HydrophobicContact CH2-CD1 4.29Å; W315-F322 AromaticContact CH2-CD2 3.21Å; W315-F322 HydrophobicContact CH2-CD2 3.21Å; W315-F322 HydrophobicContact CH2-CE1 4.22Å; W315-F322 AromaticContact CH2-CE2 3.07Å; W315-F322 HydrophobicContact CH2-CE2 3.07Å; W315-F322 AromaticContact CH2-CG 3.8Å; W315-F322 HydrophobicContact CH2-CG 3.8Å; W315-F322 AromaticContact CH2-CZ 3.64Å; W315-F322 HydrophobicContact CH2-CZ 3.64Å; W315-F322 HydrophobicContact CZ2-CD2 4.29Å; W315-F322 HydrophobicContact CZ2-CE1 4.48Å; W315-F322 AromaticContact CZ2-CE2 3.89Å; W315-F322 HydrophobicContact CZ2-CE2 3.89Å; W315-F322 HydrophobicContact CZ2-CZ 4Å; W315-F322 HydrophobicContact CZ3-CB 3.55Å; W315-F322 AromaticContact CZ3-CD1 3.84Å; W315-F322 HydrophobicContact CZ3-CD1 3.84Å; W315-F322 AromaticContact CZ3-CD2 2.92Å; W315-F322 HydrophobicContact CZ3-CD2 2.92Å; W315-F322 HydrophobicContact CZ3-CE1 4.23Å; W315-F322 AromaticContact CZ3-CE2 3.38Å; W315-F322 HydrophobicContact CZ3-CE2 3.38Å; W315-F322 AromaticContact CZ3-CG 3.14Å; W315-F322 HydrophobicContact CZ3-CG 3.14Å; W315-F322 HydrophobicContact CZ3-CZ 4.02Å; W315-I372 HydrophobicContact CH2-CG2 3.78Å; W315-I372 HydrophobicContact CZ2-CG2 3.37Å; W315-C376 WeakPolarHBondContact CZ2-SG 3.47Å
316D71Confident85.9Confident114 Ų11450.6 Ų50.661%0.6128%0.279SS*.THydrogen-bonded Turntrans-63.2115176.1-62.5-19.3000107.8
317G76.9Confident85.8Confident63 Ų6351.7 Ų51.765%0.64929%0.293SS*.THydrogen-bonded Turntrans96.4-12.2-17400000116.4W315W315-G317 PolarHBondContact O-N 3.08Å
318F82.5Confident85.8Confident2 Ų255.8 Ų55.81%0.00932%0.322CS..THydrogen-bonded Turntrans-118.44.2-177.5-68.6-82.5000114.4W315 D320 D321 F322 I379 V389 V393 L396W315-F318 PolarHBondContact O-N 2.78Å; F318-D320 PolarHBondContact O-N 2.74Å; F318-D321 PolarHBondContact O-N 3.46Å; F318-F322 VanDerWaalsContact O-CB 3.29Å; F318-F322 WeakPolarHBondContact O-CB 3.38Å; F318-F322 PolarHBondContact O-N 3.14Å; F318-I379 HydrophobicContact CD2-CG2 4.21Å; F318-I379 HydrophobicContact CE1-CG2 4.48Å; F318-I379 HydrophobicContact CE2-CG2 3.42Å; F318-I379 VanDerWaalsContact CE2-CG2 3.42Å; F318-I379 HydrophobicContact CZ-CG2 3.53Å; F318-V389 HydrophobicContact CE2-CG1 4.14Å; F318-V393 HydrophobicContact CD1-CG1 3.6Å; F318-V393 HydrophobicContact CD2-CG1 3.65Å; F318-V393 HydrophobicContact CD2-CG2 4.45Å; F318-V393 HydrophobicContact CE1-CB 4.11Å; F318-V393 HydrophobicContact CE1-CG1 3.28Å; F318-V393 HydrophobicContact CE1-CG2 4Å; F318-V393 HydrophobicContact CE2-CB 3.91Å; F318-V393 HydrophobicContact CE2-CG1 3.31Å; F318-V393 HydrophobicContact CE2-CG2 3.34Å; F318-V393 HydrophobicContact CG-CG1 3.83Å; F318-V393 HydrophobicContact CZ-CB 3.65Å; F318-V393 HydrophobicContact CZ-CG1 3.17Å; F318-V393 HydrophobicContact CZ-CG2 3.1Å; F318-L396 HydrophobicContact CE1-CB 4.1Å
319I85.4Confident85.8Confident50 Ų5056 Ų5626%0.25632%0.321SS..Hα-helixtrans-60-33.1-170.4-161.6170.1000112.6W315 K323W315-I319 PolarHBondContact O-N 2.89Å; I319-K323 VanDerWaalsContact O-CG 3.22Å; I319-K323 WeakPolarHBondContact O-CG 3.38Å; I319-K323 PolarHBondContact O-N 3.09Å
320D86.2Confident86Confident104 Ų10451.8 Ų51.856%0.55630%0.298SS*.Hα-helixtrans-78.3-44.3-178.4-66.6-31.4000112.5F318 F322 K323 V324F318-D320 PolarHBondContact O-N 2.74Å; D320-F322 PolarHBondContact O-N 3.27Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.01Å; D320-K323 IonicContact OD1-NZ 3.67Å; D320-K323 PolarHBondContact OD1-NZ 3.18Å; D320-V324 WeakPolarHBondContact O-CG2 3.35Å; D320-V324 PolarHBondContact O-N 2.89Å
321D85.9Confident86.1Confident67 Ų6754.7 Ų54.736%0.35832%0.322SS..Hα-helixtrans-59.7-39.4170.6-73.1-33.9000110.6F318 V324 W325 I398F318-D321 PolarHBondContact O-N 3.46Å; D321-V324 PolarHBondContact O-N 3.39Å; D321-W325 PolarHBondContact O-N 3.29Å; D321-I398 HydrophobicContact CB-CB 4.43Å; D321-I398 HydrophobicContact CB-CD1 3.47Å; D321-I398 VanDerWaalsContact CB-CD1 3.47Å; D321-I398 HydrophobicContact CB-CG1 3.67Å; D321-I398 WeakPolarHBondContact O-CD1 3.43Å
322F88.5Confident86.5Confident1 Ų157.4 Ų57.40%0.00436%0.357CS..Hα-helixtrans-64.1-43177174.7-117.9000112I235 F241 W315 F318 D320 V324 W325 L326 I372 I398I235-F322 HydrophobicContact CD1-CD1 4.13Å; I235-F322 HydrophobicContact CD1-CE1 4Å; I235-F322 HydrophobicContact CG2-CD1 4.38Å; I235-F322 HydrophobicContact CG2-CE1 4.12Å; F241-F322 HydrophobicContact CE1-CE1 4.11Å; F241-F322 HydrophobicContact CE1-CZ 4.42Å; F241-F322 AromaticContact CZ-CE1 3.93Å; F241-F322 HydrophobicContact CZ-CE1 3.93Å; F241-F322 HydrophobicContact CZ-CZ 4.06Å; W315-F322 HydrophobicContact CD2-CD1 4.49Å; W315-F322 HydrophobicContact CD2-CG 4.48Å; W315-F322 HydrophobicContact CE3-CB 3.65Å; W315-F322 AromaticContact CE3-CD1 3.87Å; W315-F322 HydrophobicContact CE3-CD1 3.87Å; W315-F322 AromaticContact CE3-CD2 3.79Å; W315-F322 HydrophobicContact CE3-CD2 3.79Å; W315-F322 HydrophobicContact CE3-CE1 4.42Å; W315-F322 HydrophobicContact CE3-CE2 4.32Å; W315-F322 AromaticContact CE3-CG 3.49Å; W315-F322 HydrophobicContact CE3-CG 3.49Å; W315-F322 VanDerWaalsContact CE3-CG 3.49Å; W315-F322 HydrophobicContact CH2-CD1 4.29Å; W315-F322 AromaticContact CH2-CD2 3.21Å; W315-F322 HydrophobicContact CH2-CD2 3.21Å; W315-F322 HydrophobicContact CH2-CE1 4.22Å; W315-F322 AromaticContact CH2-CE2 3.07Å; W315-F322 HydrophobicContact CH2-CE2 3.07Å; W315-F322 AromaticContact CH2-CG 3.8Å; W315-F322 HydrophobicContact CH2-CG 3.8Å; W315-F322 AromaticContact CH2-CZ 3.64Å; W315-F322 HydrophobicContact CH2-CZ 3.64Å; W315-F322 HydrophobicContact CZ2-CD2 4.29Å; W315-F322 HydrophobicContact CZ2-CE1 4.48Å; W315-F322 AromaticContact CZ2-CE2 3.89Å; W315-F322 HydrophobicContact CZ2-CE2 3.89Å; W315-F322 HydrophobicContact CZ2-CZ 4Å; W315-F322 HydrophobicContact CZ3-CB 3.55Å; W315-F322 AromaticContact CZ3-CD1 3.84Å; W315-F322 HydrophobicContact CZ3-CD1 3.84Å; W315-F322 AromaticContact CZ3-CD2 2.92Å; W315-F322 HydrophobicContact CZ3-CD2 2.92Å; W315-F322 HydrophobicContact CZ3-CE1 4.23Å; W315-F322 AromaticContact CZ3-CE2 3.38Å; W315-F322 HydrophobicContact CZ3-CE2 3.38Å; W315-F322 AromaticContact CZ3-CG 3.14Å; W315-F322 HydrophobicContact CZ3-CG 3.14Å; W315-F322 HydrophobicContact CZ3-CZ 4.02Å; F318-F322 VanDerWaalsContact O-CB 3.29Å; F318-F322 WeakPolarHBondContact O-CB 3.38Å; F318-F322 PolarHBondContact O-N 3.14Å; D320-F322 PolarHBondContact O-N 3.27Å; F322-V324 VanDerWaalsContact C-N 3.28Å; F322-V324 PolarHBondContact O-N 3.13Å; F322-W325 AromaticContact CD2-CE3 3.61Å; F322-W325 HydrophobicContact CD2-CE3 3.61Å; F322-W325 HydrophobicContact CD2-CZ3 4.03Å; F322-W325 AromaticContact CE2-CE3 3.56Å; F322-W325 HydrophobicContact CE2-CE3 3.56Å; F322-W325 AromaticContact CE2-CZ3 3.47Å; F322-W325 HydrophobicContact CE2-CZ3 3.47Å; F322-W325 VanDerWaalsContact CE2-CZ3 3.47Å; F322-W325 HydrophobicContact CZ-CZ3 4.42Å; F322-W325 PolarHBondContact O-N 3.34Å; F322-L326 HydrophobicContact CE1-CD2 4.07Å; F322-L326 HydrophobicContact CE2-CB 4.37Å; F322-L326 HydrophobicContact CZ-CB 4.44Å; F322-L326 HydrophobicContact CZ-CD1 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.02Å; F322-L326 WeakPolarHBondContact O-CB 3.32Å; F322-L326 PolarHBondContact O-N 3.48Å; F322-I372 HydrophobicContact CE2-CD1 4.45Å; F322-I372 HydrophobicContact CE2-CG1 4.18Å; F322-I372 HydrophobicContact CE2-CG2 4.33Å; F322-I372 HydrophobicContact CZ-CD1 4.1Å; F322-I372 HydrophobicContact CZ-CG1 4.31Å; F322-I372 HydrophobicContact CZ-CG2 4.31Å; F322-I398 VanDerWaalsContact CA-CD1 3.49Å; F322-I398 HydrophobicContact CB-CD1 4.14Å
323K90.7Very high87.1Confident79 Ų7960 Ų6034%0.34336%0.36SS..Hα-helixtrans-57.1-43.6173.1-77.2165.9-169.1158.20110.8I235 I319 D320 A327I235-K323 HydrophobicContact CD1-CB 4.44Å; I235-K323 HydrophobicContact CD1-CG 3.66Å; I235-K323 HydrophobicContact CG1-CG 4.43Å; I319-K323 VanDerWaalsContact O-CG 3.22Å; I319-K323 WeakPolarHBondContact O-CG 3.38Å; I319-K323 PolarHBondContact O-N 3.09Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.01Å; D320-K323 IonicContact OD1-NZ 3.67Å; D320-K323 PolarHBondContact OD1-NZ 3.18Å; K323-A327 WeakPolarHBondContact O-CB 3.4Å; K323-A327 PolarHBondContact O-N 2.78Å
324V90.9Very high88.1Confident101 Ų10157.6 Ų57.661%0.61235%0.353SS*.Hα-helixtrans-64-49.8178.6173.90000111D320 D321 F322 A327 S328D320-V324 WeakPolarHBondContact O-CG2 3.35Å; D320-V324 PolarHBondContact O-N 2.89Å; D321-V324 PolarHBondContact O-N 3.39Å; F322-V324 VanDerWaalsContact C-N 3.28Å; F322-V324 PolarHBondContact O-N 3.13Å; V324-A327 PolarHBondContact O-N 3.49Å; V324-S328 PolarHBondContact O-N 3.25Å
325W93.1Very high89.5Confident16 Ų1657.5 Ų57.56%0.06135%0.352CS..Hα-helixtrans-59.8-48.6176.8169.379.6000111.6D321 F322 A327 S328 E329 L368 K371 I372 I375 I398D321-W325 PolarHBondContact O-N 3.29Å; F322-W325 AromaticContact CD2-CE3 3.61Å; F322-W325 HydrophobicContact CD2-CE3 3.61Å; F322-W325 HydrophobicContact CD2-CZ3 4.03Å; F322-W325 AromaticContact CE2-CE3 3.56Å; F322-W325 HydrophobicContact CE2-CE3 3.56Å; F322-W325 AromaticContact CE2-CZ3 3.47Å; F322-W325 HydrophobicContact CE2-CZ3 3.47Å; F322-W325 VanDerWaalsContact CE2-CZ3 3.47Å; F322-W325 HydrophobicContact CZ-CZ3 4.42Å; F322-W325 PolarHBondContact O-N 3.34Å; W325-A327 VanDerWaalsContact C-N 3.34Å; W325-A327 PolarHBondContact O-N 3.03Å; W325-S328 WeakPolarHBondContact O-CB 3.39Å; W325-S328 PolarHBondContact O-N 3.15Å; W325-S328 VanDerWaalsContact O-N 3.14Å; W325-E329 HydrophobicContact CH2-CG 4.3Å; W325-E329 HydrophobicContact CZ2-CB 4.22Å; W325-E329 HydrophobicContact CZ2-CG 4Å; W325-E329 WeakPolarHBondContact O-CB 3.28Å; W325-E329 PolarHBondContact O-N 3.14Å; W325-L368 HydrophobicContact CH2-CD1 4.1Å; W325-K371 HydrophobicContact CH2-CB 4.45Å; W325-I372 HydrophobicContact CH2-CG1 3.86Å; W325-I372 HydrophobicContact CZ3-CG1 3.8Å; W325-I375 HydrophobicContact CD2-CD1 3.78Å; W325-I375 HydrophobicContact CE3-CD1 4.13Å; W325-I375 HydrophobicContact CH2-CD1 3.62Å; W325-I375 HydrophobicContact CZ2-CD1 3.19Å; W325-I375 HydrophobicContact CZ3-CD1 4.08Å; W325-I398 HydrophobicContact CB-CB 4.33Å; W325-I398 HydrophobicContact CB-CD1 4.33Å; W325-I398 HydrophobicContact CB-CG2 3.61Å; W325-I398 HydrophobicContact CG-CG2 3.63Å
326L93.7Very high90.7Very high3 Ų358 Ų582%0.01636%0.355CS..Hα-helixtrans-63.5-43.2-178.3-175.466.9000110.5I232 I235 F241 F322 S328 E329 I330 L368 I372I232-L326 HydrophobicContact CD1-CD2 3.72Å; I232-L326 HydrophobicContact CD1-CG 4.29Å; I235-L326 HydrophobicContact CD1-CD2 3.48Å; I235-L326 VanDerWaalsContact CD1-CD2 3.48Å; I235-L326 HydrophobicContact CG1-CD2 4.4Å; F241-L326 HydrophobicContact CE1-CD2 3.73Å; F322-L326 HydrophobicContact CE1-CD2 4.07Å; F322-L326 HydrophobicContact CE2-CB 4.37Å; F322-L326 HydrophobicContact CZ-CB 4.44Å; F322-L326 HydrophobicContact CZ-CD1 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.02Å; F322-L326 WeakPolarHBondContact O-CB 3.32Å; F322-L326 PolarHBondContact O-N 3.48Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.22Å; L326-E329 PolarHBondContact O-N 3.31Å; L326-I330 HydrophobicContact CD1-CG2 4.16Å; L326-I330 HydrophobicContact CG-CD1 4.4Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.34Å; L326-I330 WeakPolarHBondContact O-CG2 3.43Å; L326-I330 PolarHBondContact O-N 2.89Å; L326-L368 HydrophobicContact CD1-CD1 4.37Å; L326-L368 HydrophobicContact CD1-CD2 3.95Å; L326-L368 HydrophobicContact CD1-CG 4.44Å; L326-I372 HydrophobicContact CD1-CD1 4.32Å
327A93.4Very high91.9Very high57 Ų5752.7 Ų52.747%0.47133%0.326SS..Hα-helixtrans-58.9-42174.700000111.5K323 V324 W325 A331K323-A327 WeakPolarHBondContact O-CB 3.4Å; K323-A327 PolarHBondContact O-N 2.78Å; V324-A327 PolarHBondContact O-N 3.49Å; W325-A327 VanDerWaalsContact C-N 3.34Å; W325-A327 PolarHBondContact O-N 3.03Å; A327-A331 WeakPolarHBondContact O-CA 3.36Å; A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 2.8Å
328S94.8Very high92.7Very high91 Ų9151.1 Ų51.164%0.63630%0.304SS*.Hα-helixtrans-65.4-40.3174.6-174.30000112.5V324 W325 L326 I330V324-S328 PolarHBondContact O-N 3.25Å; W325-S328 WeakPolarHBondContact O-CB 3.39Å; W325-S328 PolarHBondContact O-N 3.15Å; W325-S328 VanDerWaalsContact O-N 3.14Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.22Å; S328-I330 VanDerWaalsContact C-N 3.32Å; S328-I330 PolarHBondContact O-N 2.88Å
329E94.6Very high93.2Very high37 Ų3752.4 Ų52.417%0.17331%0.312CS..Hα-helixtrans-68.9-31-177.3-17263.5-159.900112.4W325 L326 R333 L368 K371W325-E329 HydrophobicContact CH2-CG 4.3Å; W325-E329 HydrophobicContact CZ2-CB 4.22Å; W325-E329 HydrophobicContact CZ2-CG 4Å; W325-E329 WeakPolarHBondContact O-CB 3.28Å; W325-E329 PolarHBondContact O-N 3.14Å; L326-E329 PolarHBondContact O-N 3.31Å; E329-R333 PolarHBondContact O-NH1 3.41Å; E329-R333 IonicContact OE1-NH1 3.38Å; E329-L368 HydrophobicContact CG-CD1 3.98Å; E329-K371 IonicContact OE1-NZ 3.04Å; E329-K371 PolarHBondContact OE1-NZ 2.76Å
330I95.8Very high93.5Very high33 Ų3350.3 Ų50.317%0.16930%0.303CS..Hα-helixtrans-103.3-2.9-177.976.1-171.9000113.5I232 L326 S328 G332 R333 L335 L368I232-I330 HydrophobicContact CD1-CD1 4.03Å; L326-I330 HydrophobicContact CD1-CG2 4.16Å; L326-I330 HydrophobicContact CG-CD1 4.4Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.34Å; L326-I330 WeakPolarHBondContact O-CG2 3.43Å; L326-I330 PolarHBondContact O-N 2.89Å; S328-I330 VanDerWaalsContact C-N 3.32Å; S328-I330 PolarHBondContact O-N 2.88Å; I330-G332 PolarHBondContact O-N 2.94Å; I330-R333 PolarHBondContact O-N 3.42Å; I330-L335 HydrophobicContact CB-CD1 4.16Å; I330-L335 HydrophobicContact CB-CD2 4.18Å; I330-L335 HydrophobicContact CB-CG 4.36Å; I330-L335 HydrophobicContact CD1-CD1 4.02Å; I330-L335 HydrophobicContact CG2-CD1 4.08Å; I330-L335 HydrophobicContact CG2-CD2 3.77Å; I330-L335 HydrophobicContact CG2-CG 4.36Å; I330-L368 HydrophobicContact CG2-CD2 3.94Å
331A95.7Very high93.2Very high68 Ų6852.1 Ų52.156%0.56232%0.318SS*.THydrogen-bonded Turntrans-58.7120.9-177.100000111.4A327 R333A327-A331 WeakPolarHBondContact O-CA 3.36Å; A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 2.8Å; A331-R333 PolarHBondContact O-N 3.27Å
332G95.9Very high92.3Very high94 Ų9454.5 Ų54.597%0.96933%0.334SS*.THydrogen-bonded Turntrans72.84.2179.800000114.9I330I330-G332 PolarHBondContact O-N 2.94Å
333R97.5Very high91.3Very high107 Ų10756.3 Ų56.340%0.40435%0.353SS..  trans-105.9146.9-176.9-59.3-172.2177.5155.3-7.7111.5E329 I330 A331 V359 E360E329-R333 PolarHBondContact O-NH1 3.41Å; E329-R333 IonicContact OE1-NH1 3.38Å; I330-R333 PolarHBondContact O-N 3.42Å; A331-R333 PolarHBondContact O-N 3.27Å; R333-V359 HydrophobicContact CB-CG1 3.68Å; R333-V359 HydrophobicContact CG-CG1 4.13Å; R333-E360 HydrophobicContact CB-CG 4.13Å; R333-E360 VanDerWaalsContact CD-OE1 3.24Å; R333-E360 WeakPolarHBondContact CD-OE1 3.44Å; R333-E360 HydrophobicContact CG-CG 4.34Å; R333-E360 VanDerWaalsContact CG-OE1 3.31Å; R333-E360 WeakPolarHBondContact CG-OE1 3.37Å; R333-E360 IonicContact NE-OE1 3.55Å; R333-E360 PolarHBondContact NE-OE1 2.78Å
334K96.8Very high89.9Confident110 Ų11056.6 Ų56.648%0.47836%0.364SS..  trans-72.8133.9172.5-173.6-178.6179.9179.90109T229 I336 E360T229-K334 HydrophobicContact CG2-CD 4.13Å; T229-K334 HydrophobicContact CG2-CG 3.7Å; T229-K334 WeakPolarHBondContact OG1-CE 3.5Å; T229-K334 PolarHBondContact OG1-NZ 3.02Å; K334-I336 HydrophobicContact CD-CG1 4.39Å; K334-I336 HydrophobicContact CG-CG1 4.37Å; K334-E360 PolarHBondContact O-N 3.4Å
335L97.8Very high89Confident7 Ų755.6 Ų55.64%0.03736%0.355CS..EExtended strand (participates in β ladder)trans-105.4135.3170.3-67.3177.5000110.2T229 V230 I232 I330 L357 Y358 V359 L368T229-L335 CarbonylContact C-O 3.6Å; T229-L335 WeakPolarHBondContact CA-O 3.48Å; V230-L335 HydrophobicContact CG2-CB 3.97Å; V230-L335 PolarHBondContact N-O 3.03Å; I232-L335 HydrophobicContact CD1-CD1 3.95Å; I232-L335 HydrophobicContact CG1-CD1 3.81Å; I330-L335 HydrophobicContact CB-CD1 4.16Å; I330-L335 HydrophobicContact CB-CD2 4.18Å; I330-L335 HydrophobicContact CB-CG 4.36Å; I330-L335 HydrophobicContact CD1-CD1 4.02Å; I330-L335 HydrophobicContact CG2-CD1 4.08Å; I330-L335 HydrophobicContact CG2-CD2 3.77Å; I330-L335 HydrophobicContact CG2-CG 4.36Å; L335-L357 HydrophobicContact CB-CD1 4.26Å; L335-Y358 WeakPolarHBondContact CA-O 3.3Å; L335-V359 HydrophobicContact CD2-CB 4.5Å; L335-V359 HydrophobicContact CD2-CG2 3.92Å; L335-L368 HydrophobicContact CD2-CD2 4.16Å
336I97.5Very high88.1Confident15 Ų1556.4 Ų56.48%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-121.1116.1179.8-54.8171.6000108.2P227 L228 K334 V338 Y358 E360 I362P227-I336 HydrophobicContact CB-CG2 3.53Å; L228-I336 CarbonylContact O-C 3.51Å; L228-I336 VanDerWaalsContact O-CA 3.3Å; L228-I336 WeakPolarHBondContact O-CA 3.39Å; K334-I336 HydrophobicContact CD-CG1 4.39Å; K334-I336 HydrophobicContact CG-CG1 4.37Å; I336-V338 HydrophobicContact CG2-CG2 4.35Å; I336-Y358 PolarHBondContact N-O 3.49Å; I336-Y358 PolarHBondContact O-N 2.86Å; I336-E360 WeakPolarHBondContact CD1-O 3.41Å; I336-I362 HydrophobicContact CD1-CG1 4.15Å; I336-I362 HydrophobicContact CG2-CD1 4.13Å; I336-I362 HydrophobicContact CG2-CG1 3.96Å
337A96.1Very high87.2Confident1 Ų158 Ų581%0.00837%0.373CS..EExtended strand (participates in β ladder)trans-92.9122.5173.600000109.7P227 L228 V230 L243 I355 L357P227-A337 CarbonylContact C-O 3.43Å; P227-A337 WeakPolarHBondContact CA-O 3.46Å; L228-A337 PolarHBondContact N-O 2.89Å; L228-A337 PolarHBondContact O-N 3.22Å; V230-A337 HydrophobicContact CB-CB 4.46Å; V230-A337 HydrophobicContact CG1-CB 3.8Å; V230-A337 HydrophobicContact CG2-CB 3.8Å; L243-A337 HydrophobicContact CD1-CB 4.19Å; A337-I355 HydrophobicContact CB-CD1 4.05Å; A337-L357 HydrophobicContact CB-CD1 4.2Å
338V94.5Very high86.4Confident30 Ų3055.4 Ų55.418%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-111.7121.4174.3-179.30000107.5P227 I336 A340 I355 H356 Y358 I362P227-V338 HydrophobicContact CB-CG2 3.88Å; P227-V338 HydrophobicContact CG-CG2 4.09Å; I336-V338 HydrophobicContact CG2-CG2 4.35Å; V338-A340 PolarHBondContact O-N 2.96Å; V338-I355 CarbonylContact O-C 3.49Å; V338-I355 WeakPolarHBondContact O-CA 3.39Å; V338-H356 HydrophobicContact CB-CB 4.46Å; V338-H356 PolarHBondContact N-O 3.42Å; V338-H356 PolarHBondContact O-N 3.41Å; V338-Y358 HydrophobicContact CB-CD2 4.33Å; V338-Y358 HydrophobicContact CB-CE2 3.9Å; V338-Y358 HydrophobicContact CG2-CD2 3.74Å; V338-Y358 HydrophobicContact CG2-CE2 3.61Å; V338-I362 HydrophobicContact CG2-CD1 4.2Å; V338-I362 HydrophobicContact CG2-CG1 4.41Å; V338-I362 HydrophobicContact CG2-CG2 4.3Å
339P92.5Very high85.5Confident29 Ų2953.2 Ų53.219%0.18834%0.343CS..EExtended strand (participates in β ladder)trans-60.3138.2175.7-16.328.9000110.5L224L224-P339 HydrophobicContact CB-CB 4.2Å; L224-P339 HydrophobicContact CB-CG 3.21Å; L224-P339 HydrophobicContact CD1-CG 3.87Å; L224-P339 HydrophobicContact CG-CG 4.15Å
340A92.1Very high84.8Confident7 Ų755.1 Ų55.16%0.05836%0.357CS..  trans-69139.5170.600000109.5V308 V338 V342 P354V308-A340 HydrophobicContact CG2-CB 3.6Å; V338-A340 PolarHBondContact O-N 2.96Å; A340-V342 PolarHBondContact O-N 3.03Å; A340-P354 HydrophobicContact CB-CB 4.08Å; A340-P354 HydrophobicContact CB-CG 4.43Å; A340-P354 PolarHBondContact N-O 3.29Å
341T80.2Confident84.4Confident142 Ų14259.2 Ų59.287%0.87138%0.376SS*.SBendtrans-71.21.6-179.148.70000113.6G343T341-G343 PolarHBondContact O-N 3.36Å
342V65.7Low84.2Confident116 Ų11660.4 Ų60.470%0.70337%0.368SS*.  trans-91.998.5-168.1-1690000110A340A340-V342 PolarHBondContact O-N 3.03Å
343G67.1Low84Confident39 Ų3956.1 Ų56.140%0.40232%0.323SS..  trans123.7125.2169.600000112.5T341 N345T341-G343 PolarHBondContact O-N 3.36Å; G343-N345 PolarHBondContact O-N 2.58Å
344P61.3Low83.8Confident86 Ų8652.5 Ų52.556%0.55831%0.313SS*.SBendtrans-67.2-15.8-17621.7-29.7000114.7
345N72.6Confident83.7Confident79 Ų7947.3 Ų47.342%0.42229%0.291SS..  trans-140.655.9-157.9-61.5-19000114.5F221 G343 A347F221-N345 HydrophobicContact CD1-CB 3.58Å; F221-N345 HydrophobicContact CD2-CB 4.47Å; F221-N345 WeakPolarHBondContact CD2-OD1 3.48Å; F221-N345 HydrophobicContact CE1-CB 3.53Å; F221-N345 HydrophobicContact CE2-CB 4.43Å; F221-N345 WeakPolarHBondContact CE2-OD1 3.28Å; F221-N345 HydrophobicContact CG-CB 4.07Å; F221-N345 WeakPolarHBondContact CG-OD1 3.35Å; F221-N345 HydrophobicContact CZ-CB 3.98Å; F221-N345 WeakPolarHBondContact CZ-OD1 3.4Å; G343-N345 PolarHBondContact O-N 2.58Å; N345-A347 PolarHBondContact O-N 3.29Å
346I74.3Confident83.7Confident34 Ų3448.8 Ų48.817%0.17430%0.298CS..  trans-83.6116.8175.3-62.4151.6000109.6L348 V353 P354I346-L348 PolarHBondContact O-N 2.86Å; I346-V353 HydrophobicContact CG2-CB 4.47Å; I346-V353 HydrophobicContact CG2-CG1 4.35Å; I346-V353 HydrophobicContact CG2-CG2 4.2Å; I346-P354 HydrophobicContact CD1-CG 3.51Å; I346-P354 HydrophobicContact CG1-CG 4.39Å
347A74.2Confident83.6Confident35 Ų3548.1 Ų48.129%0.28929%0.294SS..  trans-87.4103175.400000110.8N345 G349 V350 E351N345-A347 PolarHBondContact O-N 3.29Å; A347-G349 PolarHBondContact O-N 3.26Å; A347-V350 HydrophobicContact CB-CB 4.07Å; A347-V350 HydrophobicContact CB-CG2 3.91Å; A347-V350 PolarHBondContact O-N 2.85Å; A347-V350 VanDerWaalsContact O-N 3.15Å; A347-E351 PolarHBondContact O-N 3.2Å
348L77Confident83.7Confident4 Ų449.5 Ų49.52%0.02130%0.299CS..BIsolated β-bridgetrans-56.2131.2174.9-76.6155.9000111.5W210 T212 L222 L224 I346 V350 V353W210-L348 HydrophobicContact CB-CB 4.04Å; W210-L348 HydrophobicContact CB-CD1 4.44Å; W210-L348 HydrophobicContact CD2-CB 4.3Å; W210-L348 HydrophobicContact CG-CB 3.9Å; W210-L348 PolarHBondContact NE1-O 3.38Å; T212-L348 HydrophobicContact CG2-CD1 3.17Å; L222-L348 HydrophobicContact CB-CD1 4.11Å; L224-L348 HydrophobicContact CD1-CD2 4.1Å; L224-L348 HydrophobicContact CD2-CD1 3.63Å; L224-L348 HydrophobicContact CD2-CD2 4.06Å; L224-L348 HydrophobicContact CG-CD1 3.81Å; L224-L348 HydrophobicContact CG-CD2 3.93Å; L224-L348 HydrophobicContact CG-CG 4.42Å; I346-L348 PolarHBondContact O-N 2.86Å; L348-V350 VanDerWaalsContact C-N 3.3Å; L348-V350 PolarHBondContact O-N 3.24Å; L348-V353 HydrophobicContact CD2-CG2 3.33Å; L348-V353 HydrophobicContact CG-CG2 4.29Å
349G77.2Confident83.9Confident45 Ų4548.2 Ų48.246%0.46429%0.292SS..THydrogen-bonded Turntrans87.8-12.4-179.300000115.3W210 A347W210-G349 VanDerWaalsContact CE2-CA 3.45Å; A347-G349 PolarHBondContact O-N 3.26Å
350V79.9Confident84.1Confident77 Ų7752.1 Ų52.147%0.46731%0.307SS..THydrogen-bonded Turntrans-102.8-50.8176.5-168.80000110F187 A347 L348F187-V350 HydrophobicContact CE1-CB 4.25Å; F187-V350 HydrophobicContact CE1-CG1 3.94Å; F187-V350 HydrophobicContact CE1-CG2 3.38Å; F187-V350 HydrophobicContact CZ-CG2 3.67Å; A347-V350 HydrophobicContact CB-CB 4.07Å; A347-V350 HydrophobicContact CB-CG2 3.91Å; A347-V350 PolarHBondContact O-N 2.85Å; A347-V350 VanDerWaalsContact O-N 3.15Å; L348-V350 VanDerWaalsContact C-N 3.3Å; L348-V350 PolarHBondContact O-N 3.24Å
351E86.8Confident84.3Confident118 Ų11854.2 Ų54.255%0.55132%0.321SS*.BIsolated β-bridgetrans-112.2161.1-176.9-64-177.6173.100110.7A347A347-E351 PolarHBondContact O-N 3.2Å
352K90.9Very high85.1Confident93 Ų9351.6 Ų51.640%0.40430%0.301SS..PPolyproline II helixtrans-72.9130.8173.7-56.5176.6-173.9177.70108.2T240 L304 D306 P354T240-K352 HydrophobicContact CG2-CD 3.87Å; T240-K352 PolarHBondContact OG1-NZ 2.9Å; L304-K352 HydrophobicContact CB-CG 4.27Å; L304-K352 WeakPolarHBondContact O-CA 3.42Å; D306-K352 HydrophobicContact CB-CB 4.26Å; D306-K352 VanDerWaalsContact CG-CD 3.41Å; D306-K352 VanDerWaalsContact OD1-CD 3.27Å; D306-K352 WeakPolarHBondContact OD1-CD 3.26Å; D306-K352 IonicContact OD1-NZ 3.68Å; D306-K352 WeakPolarHBondContact OD2-CD 3.32Å; D306-K352 IonicContact OD2-NZ 3.03Å; K352-P354 WeakPolarHBondContact O-CD 3.46Å
353V91.9Very high86.5Confident4 Ų449.6 Ų49.62%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-83.1117.5-178.5-173.20000109.2L224 F303 L304 A305 D306 I346 L348 I355L224-V353 HydrophobicContact CD1-CG1 4.14Å; F303-V353 HydrophobicContact CD2-CB 4.24Å; F303-V353 HydrophobicContact CD2-CG2 3.9Å; F303-V353 HydrophobicContact CE2-CB 4.33Å; F303-V353 HydrophobicContact CE2-CG2 4.4Å; L304-V353 PolarHBondContact O-N 3.08Å; A305-V353 CarbonylContact C-O 3.57Å; A305-V353 VanDerWaalsContact CA-O 3.22Å; A305-V353 WeakPolarHBondContact CA-O 3.47Å; D306-V353 PolarHBondContact N-O 3.29Å; I346-V353 HydrophobicContact CG2-CB 4.47Å; I346-V353 HydrophobicContact CG2-CG1 4.35Å; I346-V353 HydrophobicContact CG2-CG2 4.2Å; L348-V353 HydrophobicContact CD2-CG2 3.33Å; L348-V353 HydrophobicContact CG-CG2 4.29Å; V353-I355 HydrophobicContact CB-CG2 4.29Å; V353-I355 HydrophobicContact CG1-CG2 3.88Å; V353-I355 PolarHBondContact O-N 2.98Å
354P93.5Very high87.8Confident31 Ų3152.3 Ų52.320%0.20130%0.297CS..EExtended strand (participates in β ladder)trans-64.6123171.727.9-35.1000109.7D306 V308 A340 I346 K352D306-P354 CarbonylContact O-C 3.41Å; D306-P354 VanDerWaalsContact O-CA 3.3Å; D306-P354 WeakPolarHBondContact O-CA 3.49Å; V308-P354 HydrophobicContact CG2-CB 3.65Å; A340-P354 HydrophobicContact CB-CB 4.08Å; A340-P354 HydrophobicContact CB-CG 4.43Å; A340-P354 PolarHBondContact N-O 3.29Å; I346-P354 HydrophobicContact CD1-CG 3.51Å; I346-P354 HydrophobicContact CG1-CG 4.39Å; K352-P354 WeakPolarHBondContact O-CD 3.46Å
355I95.6Very high89.4Confident1 Ų151.6 Ų51.61%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-132.7154.9-178.265.1166.1000113L243 F303 A305 D306 L307 V308 A337 V338 V353 N369L243-I355 HydrophobicContact CD1-CD1 3.32Å; F303-I355 HydrophobicContact CE2-CG2 4.5Å; A305-I355 HydrophobicContact CB-CD1 3.53Å; A305-I355 HydrophobicContact CB-CG1 3.85Å; A305-I355 HydrophobicContact CB-CG2 4.21Å; D306-I355 PolarHBondContact O-N 3.13Å; L307-I355 HydrophobicContact CD2-CD1 4.08Å; L307-I355 HydrophobicContact CD2-CG1 3.96Å; V308-I355 PolarHBondContact N-O 3.45Å; A337-I355 HydrophobicContact CB-CD1 4.05Å; V338-I355 CarbonylContact O-C 3.49Å; V338-I355 WeakPolarHBondContact O-CA 3.39Å; V353-I355 HydrophobicContact CB-CG2 4.29Å; V353-I355 HydrophobicContact CG1-CG2 3.88Å; V353-I355 PolarHBondContact O-N 2.98Å; I355-N369 PolarHBondContact O-ND2 3.31Å
356H96.2Very high90.4Very high38 Ų3849.7 Ų49.718%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-99.7125.5158-61.9-73.7000108.9D309 V338 Y358 L367D309-H356 IonicContact OD2-CE1 3.55Å; V338-H356 HydrophobicContact CB-CB 4.46Å; V338-H356 PolarHBondContact N-O 3.42Å; V338-H356 PolarHBondContact O-N 3.41Å; H356-Y358 HydrophobicContact CB-CD2 4.35Å; H356-Y358 HydrophobicContact CB-CE2 3.55Å; H356-L367 HydrophobicContact CB-CD1 3.83Å
357L97.3Very high91.5Very high1 Ų149.3 Ų49.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-103.9125.2179.6-167.262.1000109.5V230 I232 L307 L335 A337 L368 N369V230-L357 HydrophobicContact CG2-CD1 3.79Å; I232-L357 HydrophobicContact CD1-CD2 4Å; I232-L357 HydrophobicContact CG1-CD2 4.49Å; L307-L357 HydrophobicContact CD2-CB 3.89Å; L307-L357 HydrophobicContact CD2-CD2 4.32Å; L335-L357 HydrophobicContact CB-CD1 4.26Å; A337-L357 HydrophobicContact CB-CD1 4.2Å; L357-L368 HydrophobicContact CB-CB 4.35Å; L357-L368 HydrophobicContact CD2-CD2 3.76Å; L357-L368 HydrophobicContact CG-CD2 4.12Å; L357-L368 WeakPolarHBondContact O-CB 3.46Å; L357-L368 PolarHBondContact O-N 3.01Å; L357-N369 WeakPolarHBondContact CB-OD1 3.28Å; L357-N369 PolarHBondContact N-OD1 3.22Å
358Y98Very high92.6Very high31 Ų3147.7 Ų47.712%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-115.4148.6-179.1-64-96.4000110.9L335 I336 V338 H356 S361 I362 D363 N366 L367L335-Y358 WeakPolarHBondContact CA-O 3.3Å; I336-Y358 PolarHBondContact N-O 3.49Å; I336-Y358 PolarHBondContact O-N 2.86Å; V338-Y358 HydrophobicContact CB-CD2 4.33Å; V338-Y358 HydrophobicContact CB-CE2 3.9Å; V338-Y358 HydrophobicContact CG2-CD2 3.74Å; V338-Y358 HydrophobicContact CG2-CE2 3.61Å; H356-Y358 HydrophobicContact CB-CD2 4.35Å; H356-Y358 HydrophobicContact CB-CE2 3.55Å; Y358-S361 WeakPolarHBondContact CB-O 3.44Å; Y358-I362 HydrophobicContact CD1-CG2 4.38Å; Y358-I362 HydrophobicContact CD2-CG2 4.39Å; Y358-I362 HydrophobicContact CE1-CG2 4.15Å; Y358-I362 HydrophobicContact CE2-CG2 4.15Å; Y358-D363 WeakPolarHBondContact CD1-O 3.44Å; Y358-N366 WeakPolarHBondContact CA-O 3.48Å; Y358-L367 HydrophobicContact CD1-CB 4.3Å; Y358-L367 HydrophobicContact CD1-CD1 4.34Å; Y358-L367 HydrophobicContact CE1-CB 4.05Å; Y358-L367 HydrophobicContact CE1-CD1 3.94Å; Y358-L367 HydrophobicContact CE2-CD1 4.15Å
359V97.5Very high93.4Very high3 Ų347.5 Ų47.52%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-104.5125.2175.7-171.90000109.2R333 L335 S361 N366 L368R333-V359 HydrophobicContact CB-CG1 3.68Å; R333-V359 HydrophobicContact CG-CG1 4.13Å; L335-V359 HydrophobicContact CD2-CB 4.5Å; L335-V359 HydrophobicContact CD2-CG2 3.92Å; V359-S361 PolarHBondContact O-N 3.43Å; V359-N366 PolarHBondContact N-O 3.48Å; V359-N366 VanDerWaalsContact O-CB 3.23Å; V359-N366 WeakPolarHBondContact O-CB 3.41Å; V359-N366 VanDerWaalsContact O-CG 3.31Å; V359-N366 PolarHBondContact O-ND2 2.68Å; V359-L368 HydrophobicContact CG2-CB 4.08Å; V359-L368 HydrophobicContact CG2-CD1 4.22Å; V359-L368 HydrophobicContact CG2-CD2 4.04Å; V359-L368 HydrophobicContact CG2-CG 4.35Å
360E96.4Very high94.3Very high110 Ų11050.3 Ų50.351%0.51427%0.271SS..SBendtrans66.8-52.8-179.7-64.7169.7-170.800116.3R333 K334 I336R333-E360 HydrophobicContact CB-CG 4.13Å; R333-E360 VanDerWaalsContact CD-OE1 3.24Å; R333-E360 WeakPolarHBondContact CD-OE1 3.44Å; R333-E360 HydrophobicContact CG-CG 4.34Å; R333-E360 VanDerWaalsContact CG-OE1 3.31Å; R333-E360 WeakPolarHBondContact CG-OE1 3.37Å; R333-E360 IonicContact NE-OE1 3.55Å; R333-E360 PolarHBondContact NE-OE1 2.78Å; K334-E360 PolarHBondContact O-N 3.4Å; I336-E360 WeakPolarHBondContact CD1-O 3.41Å
361S97Very high95Very high51 Ų5149.5 Ų49.536%0.35726%0.262SS..SBendtrans-141.4158.6-177680000112.2Y358 V359 D363 N366Y358-S361 WeakPolarHBondContact CB-O 3.44Å; V359-S361 PolarHBondContact O-N 3.43Å; S361-D363 PolarHBondContact O-N 2.9Å; S361-N366 PolarHBondContact OG-ND2 2.96Å
362I96.1Very high95.3Very high88 Ų8843.9 Ų43.945%0.45124%0.236SC..SBendtrans-81.667177.4-49.9172.8000109.1P227 I336 V338 Y358P227-I362 HydrophobicContact CB-CD1 3.45Å; P227-I362 VanDerWaalsContact CB-CD1 3.45Å; P227-I362 HydrophobicContact CG-CD1 3.28Å; I336-I362 HydrophobicContact CD1-CG1 4.15Å; I336-I362 HydrophobicContact CG2-CD1 4.13Å; I336-I362 HydrophobicContact CG2-CG1 3.96Å; V338-I362 HydrophobicContact CG2-CD1 4.2Å; V338-I362 HydrophobicContact CG2-CG1 4.41Å; V338-I362 HydrophobicContact CG2-CG2 4.3Å; Y358-I362 HydrophobicContact CD1-CG2 4.38Å; Y358-I362 HydrophobicContact CD2-CG2 4.39Å; Y358-I362 HydrophobicContact CE1-CG2 4.15Å; Y358-I362 HydrophobicContact CE2-CG2 4.15Å
363D96.2Very high95.3Very high74 Ų7439.6 Ų39.640%0.39622%0.217SC..  trans-114.4134.3174.9-172.8-40.9000108.8Y358 S361 A365 N366 L367Y358-D363 WeakPolarHBondContact CD1-O 3.44Å; S361-D363 PolarHBondContact O-N 2.9Å; D363-A365 PolarHBondContact O-N 3.26Å; D363-A365 VanDerWaalsContact O-N 3.08Å; D363-A365 WeakPolarHBondContact OD1-CB 3.42Å; D363-A365 PolarHBondContact OD1-N 3.38Å; D363-N366 HydrophobicContact CB-CB 4.29Å; D363-N366 CarbonylContact O-C 3.57Å; D363-N366 WeakPolarHBondContact O-CA 3.39Å; D363-N366 WeakPolarHBondContact O-CB 3.47Å; D363-N366 PolarHBondContact O-N 3.04Å; D363-L367 PolarHBondContact O-N 3.12Å
364P94.8Very high95.4Very high95 Ų9546.1 Ų46.162%0.61724%0.241SC*.G310 helixtrans-50.2-28.3172.1-28.235.2000115.3N366 L367P364-N366 VanDerWaalsContact C-N 3.28Å; P364-L367 WeakPolarHBondContact O-CB 3.41Å; P364-L367 PolarHBondContact O-N 3.11Å
365A94.7Very high95.2Very high71 Ų7145.1 Ų45.159%0.58724%0.235SC*.G310 helixtrans-68.6-28.4173.900000112.8D363D363-A365 PolarHBondContact O-N 3.26Å; D363-A365 VanDerWaalsContact O-N 3.08Å; D363-A365 WeakPolarHBondContact OD1-CB 3.42Å; D363-A365 PolarHBondContact OD1-N 3.38Å
366N94.1Very high94.7Very high40 Ų4045.1 Ų45.121%0.21423%0.234CC..G310 helixtrans-94.25.4-179.6-72.9-23.2000113.6Y358 V359 S361 D363 P364 L368Y358-N366 WeakPolarHBondContact CA-O 3.48Å; V359-N366 PolarHBondContact N-O 3.48Å; V359-N366 VanDerWaalsContact O-CB 3.23Å; V359-N366 WeakPolarHBondContact O-CB 3.41Å; V359-N366 VanDerWaalsContact O-CG 3.31Å; V359-N366 PolarHBondContact O-ND2 2.68Å; S361-N366 PolarHBondContact OG-ND2 2.96Å; D363-N366 HydrophobicContact CB-CB 4.29Å; D363-N366 CarbonylContact O-C 3.57Å; D363-N366 WeakPolarHBondContact O-CA 3.39Å; D363-N366 WeakPolarHBondContact O-CB 3.47Å; D363-N366 PolarHBondContact O-N 3.04Å; P364-N366 VanDerWaalsContact C-N 3.28Å; N366-L368 PolarHBondContact O-N 3.1Å
367L96.9Very high94.3Very high26 Ų2649.6 Ų49.614%0.13625%0.25CC..BIsolated β-bridgetrans-67.7103.5177.4-178.260.9000110.9H356 Y358 D363 P364 N369 K370H356-L367 HydrophobicContact CB-CD1 3.83Å; Y358-L367 HydrophobicContact CD1-CB 4.3Å; Y358-L367 HydrophobicContact CD1-CD1 4.34Å; Y358-L367 HydrophobicContact CE1-CB 4.05Å; Y358-L367 HydrophobicContact CE1-CD1 3.94Å; Y358-L367 HydrophobicContact CE2-CD1 4.15Å; D363-L367 PolarHBondContact O-N 3.12Å; P364-L367 WeakPolarHBondContact O-CB 3.41Å; P364-L367 PolarHBondContact O-N 3.11Å; L367-N369 VanDerWaalsContact C-N 3.31Å; L367-N369 HydrophobicContact CD1-CB 4.05Å; L367-N369 HydrophobicContact CG-CB 4.16Å; L367-N369 PolarHBondContact O-N 3.41Å; L367-K370 HydrophobicContact CB-CB 4.4Å; L367-K370 HydrophobicContact CD2-CB 4.16Å; L367-K370 HydrophobicContact CG-CB 4.19Å; L367-K370 PolarHBondContact O-N 3.45Å
368L96.2Very high93.8Very high0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-63.6-36.3-178.7-170.352.1000111.5W325 L326 E329 I330 L335 L357 V359 N366 K370 K371 I372W325-L368 HydrophobicContact CH2-CD1 4.1Å; L326-L368 HydrophobicContact CD1-CD1 4.37Å; L326-L368 HydrophobicContact CD1-CD2 3.95Å; L326-L368 HydrophobicContact CD1-CG 4.44Å; E329-L368 HydrophobicContact CG-CD1 3.98Å; I330-L368 HydrophobicContact CG2-CD2 3.94Å; L335-L368 HydrophobicContact CD2-CD2 4.16Å; L357-L368 HydrophobicContact CB-CB 4.35Å; L357-L368 HydrophobicContact CD2-CD2 3.76Å; L357-L368 HydrophobicContact CG-CD2 4.12Å; L357-L368 WeakPolarHBondContact O-CB 3.46Å; L357-L368 PolarHBondContact O-N 3.01Å; V359-L368 HydrophobicContact CG2-CB 4.08Å; V359-L368 HydrophobicContact CG2-CD1 4.22Å; V359-L368 HydrophobicContact CG2-CD2 4.04Å; V359-L368 HydrophobicContact CG2-CG 4.35Å; N366-L368 PolarHBondContact O-N 3.1Å; L368-K370 PolarHBondContact O-N 2.94Å; L368-K371 HydrophobicContact CD1-CB 4.48Å; L368-K371 HydrophobicContact CD1-CD 4.37Å; L368-K371 WeakPolarHBondContact O-CB 3.4Å; L368-K371 PolarHBondContact O-N 2.91Å; L368-I372 HydrophobicContact CD1-CD1 4.39Å; L368-I372 HydrophobicContact CD1-CG1 4.34Å; L368-I372 HydrophobicContact CG-CD1 3.84Å; L368-I372 HydrophobicContact CG-CG1 4.26Å; L368-I372 WeakPolarHBondContact O-CB 3.28Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 3.14Å
369N94.9Very high93Very high1 Ų152.9 Ų52.91%0.00527%0.265CS..Hα-helixtrans-52.8-42.2175.3-62.236.8000111.7V308 V310 I355 L357 L367 I372 A373V308-N369 PolarHBondContact N-ND2 2.98Å; V308-N369 PolarHBondContact O-ND2 3.15Å; V310-N369 HydrophobicContact CG2-CB 4.21Å; I355-N369 PolarHBondContact O-ND2 3.31Å; L357-N369 WeakPolarHBondContact CB-OD1 3.28Å; L357-N369 PolarHBondContact N-OD1 3.22Å; L367-N369 VanDerWaalsContact C-N 3.31Å; L367-N369 HydrophobicContact CD1-CB 4.05Å; L367-N369 HydrophobicContact CG-CB 4.16Å; L367-N369 PolarHBondContact O-N 3.41Å; N369-I372 PolarHBondContact O-N 3.39Å; N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.05Å; N369-A373 PolarHBondContact O-N 2.83Å
370K94.8Very high92.1Very high103 Ų10356.1 Ų56.145%0.44828%0.28SS..Hα-helixtrans-68.9-37.5-179.5-172.2175.6-177.9175.30112L367 L368 R374L367-K370 HydrophobicContact CB-CB 4.4Å; L367-K370 HydrophobicContact CD2-CB 4.16Å; L367-K370 HydrophobicContact CG-CB 4.19Å; L367-K370 PolarHBondContact O-N 3.45Å; L368-K370 PolarHBondContact O-N 2.94Å; K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 2.83Å; K370-R374 VanDerWaalsContact O-N 3.07Å
371K94.6Very high91.4Very high61 Ų6157.6 Ų57.627%0.26529%0.291SS..Hα-helixtrans-64.5-49.2173.8-68-178.4176.1177.30110.5W325 E329 L368 R374 I375W325-K371 HydrophobicContact CH2-CB 4.45Å; E329-K371 IonicContact OE1-NZ 3.04Å; E329-K371 PolarHBondContact OE1-NZ 2.76Å; L368-K371 HydrophobicContact CD1-CB 4.48Å; L368-K371 HydrophobicContact CD1-CD 4.37Å; L368-K371 WeakPolarHBondContact O-CB 3.4Å; L368-K371 PolarHBondContact O-N 2.91Å; K371-R374 WeakPolarHBondContact O-CB 3.02Å; K371-R374 PolarHBondContact O-N 3.36Å; K371-I375 PolarHBondContact O-N 2.86Å
372I93.5Very high90.4Very high0 Ų061.5 Ų61.50%030%0.298CS..Hα-helixtrans-57-52.9176.9-69175.4000110.3L307 V310 W315 F322 W325 L326 L368 N369 R374 I375 C376L307-I372 HydrophobicContact CD1-CD1 3.49Å; L307-I372 VanDerWaalsContact CD1-CD1 3.49Å; V310-I372 HydrophobicContact CB-CG2 4.47Å; V310-I372 HydrophobicContact CG1-CG2 3.69Å; V310-I372 HydrophobicContact CG2-CB 4.28Å; V310-I372 HydrophobicContact CG2-CG2 3.87Å; W315-I372 HydrophobicContact CH2-CG2 3.78Å; W315-I372 HydrophobicContact CZ2-CG2 3.37Å; F322-I372 HydrophobicContact CE2-CD1 4.45Å; F322-I372 HydrophobicContact CE2-CG1 4.18Å; F322-I372 HydrophobicContact CE2-CG2 4.33Å; F322-I372 HydrophobicContact CZ-CD1 4.1Å; F322-I372 HydrophobicContact CZ-CG1 4.31Å; F322-I372 HydrophobicContact CZ-CG2 4.31Å; W325-I372 HydrophobicContact CH2-CG1 3.86Å; W325-I372 HydrophobicContact CZ3-CG1 3.8Å; L326-I372 HydrophobicContact CD1-CD1 4.32Å; L368-I372 HydrophobicContact CD1-CD1 4.39Å; L368-I372 HydrophobicContact CD1-CG1 4.34Å; L368-I372 HydrophobicContact CG-CD1 3.84Å; L368-I372 HydrophobicContact CG-CG1 4.26Å; L368-I372 WeakPolarHBondContact O-CB 3.28Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 3.14Å; N369-I372 PolarHBondContact O-N 3.39Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.86Å; I372-I375 WeakPolarHBondContact O-CB 2.99Å; I372-I375 PolarHBondContact O-N 3.38Å; I372-C376 PolarHBondContact O-N 2.96Å; I372-C376 PolarHBondContact O-SG 3.27Å
373A92.1Very high89.2Confident3 Ų357.7 Ų57.73%0.02528%0.279CS..Hα-helixtrans-61.8-28.717900000113.6D309 N369 R377D309-A373 WeakPolarHBondContact O-CB 3.13Å; N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.05Å; N369-A373 PolarHBondContact O-N 2.83Å; A373-R377 WeakPolarHBondContact O-CB 3.46Å; A373-R377 WeakPolarHBondContact O-CG 3.17Å; A373-R377 PolarHBondContact O-N 3.23Å; A373-R377 VanDerWaalsContact O-N 3.14Å; A373-R377 PolarHBondContact O-NE 3.41Å; A373-R377 VanDerWaalsContact O-NE 3.12Å
374R92.5Very high87.5Confident140 Ų14057.5 Ų57.553%0.52830%0.295SS..Hα-helixtrans-69.5-43.1171.4-81.8175.3177.4166.8-2.3111.5K370 K371 I372 R377 K378K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 2.83Å; K370-R374 VanDerWaalsContact O-N 3.07Å; K371-R374 WeakPolarHBondContact O-CB 3.02Å; K371-R374 PolarHBondContact O-N 3.36Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.86Å; R374-R377 PolarHBondContact O-N 3.25Å; R374-K378 WeakPolarHBondContact O-CG 3.5Å; R374-K378 PolarHBondContact O-N 3.16Å
375I89.6Confident85.9Confident11 Ų1156.9 Ų56.96%0.05629%0.286CS..Hα-helixtrans-62.8-48.4176.7-67.1169.2000110.1W325 K371 I372 R377 K378 I379W325-I375 HydrophobicContact CD2-CD1 3.78Å; W325-I375 HydrophobicContact CE3-CD1 4.13Å; W325-I375 HydrophobicContact CH2-CD1 3.62Å; W325-I375 HydrophobicContact CZ2-CD1 3.19Å; W325-I375 HydrophobicContact CZ3-CD1 4.08Å; K371-I375 PolarHBondContact O-N 2.86Å; I372-I375 WeakPolarHBondContact O-CB 2.99Å; I372-I375 PolarHBondContact O-N 3.38Å; I375-R377 VanDerWaalsContact C-N 3.3Å; I375-R377 PolarHBondContact O-N 2.98Å; I375-K378 PolarHBondContact O-N 3.46Å; I375-K378 VanDerWaalsContact O-N 3.12Å; I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 HydrophobicContact CG2-CG1 4.39Å; I375-I379 WeakPolarHBondContact O-CG1 3.29Å; I375-I379 PolarHBondContact O-N 2.79Å
376C86.5Confident84.1Confident0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-49.1-51172.8-65.90000111.9C314 W315 I372 I379 M380C314-C376 HydrophobicContact CB-CB 3.74Å; W315-C376 WeakPolarHBondContact CZ2-SG 3.47Å; I372-C376 PolarHBondContact O-N 2.96Å; I372-C376 PolarHBondContact O-SG 3.27Å; C376-I379 PolarHBondContact O-N 3.32Å; C376-M380 WeakPolarHBondContact O-CG 3.46Å; C376-M380 PolarHBondContact O-N 3.45Å
377R86.3Confident82.3Confident133 Ų13361.9 Ų61.950%0.50230%0.301SS..Hα-helixtrans-64.9-40.9-179.7-77.6-177.7-77.7-165.4-5.9112.6A373 R374 I375 I379 M380 L381A373-R377 WeakPolarHBondContact O-CB 3.46Å; A373-R377 WeakPolarHBondContact O-CG 3.17Å; A373-R377 PolarHBondContact O-N 3.23Å; A373-R377 VanDerWaalsContact O-N 3.14Å; A373-R377 PolarHBondContact O-NE 3.41Å; A373-R377 VanDerWaalsContact O-NE 3.12Å; R374-R377 PolarHBondContact O-N 3.25Å; I375-R377 VanDerWaalsContact C-N 3.3Å; I375-R377 PolarHBondContact O-N 2.98Å; R377-I379 VanDerWaalsContact C-N 3.34Å; R377-M380 HydrophobicContact CB-CE 4.41Å; R377-M380 HydrophobicContact CG-CE 3.81Å; R377-M380 PolarHBondContact O-N 3.36Å; R377-L381 WeakPolarHBondContact O-CB 3.47Å; R377-L381 VanDerWaalsContact O-CG 3.25Å; R377-L381 WeakPolarHBondContact O-CG 3.41Å; R377-L381 PolarHBondContact O-N 2.8Å
378K87.1Confident80.4Confident96 Ų9665.1 Ų65.142%0.41731%0.314SS..Hα-helixtrans-63.1-40.7175.5-73-176.4-177.7-176.60111.7R374 I375 L381 R382 F401R374-K378 WeakPolarHBondContact O-CG 3.5Å; R374-K378 PolarHBondContact O-N 3.16Å; I375-K378 PolarHBondContact O-N 3.46Å; I375-K378 VanDerWaalsContact O-N 3.12Å; K378-L381 PolarHBondContact O-N 2.73Å; K378-R382 PolarHBondContact O-N 2.6Å; K378-F401 HydrophobicContact CB-CD1 3.73Å; K378-F401 HydrophobicContact CB-CE1 4.12Å; K378-F401 HydrophobicContact CD-CB 4.49Å; K378-F401 HydrophobicContact CD-CD1 4.18Å; K378-F401 PolarHBondContact NZ-O 3.4Å
379I81.2Confident78.4Confident5 Ų566 Ų663%0.02632%0.319CS..Hα-helixtrans-62-53.5175.2-68.9170.1000109.2F318 I375 C376 R377 L381 R382 C383 F401F318-I379 HydrophobicContact CD2-CG2 4.21Å; F318-I379 HydrophobicContact CE1-CG2 4.48Å; F318-I379 HydrophobicContact CE2-CG2 3.42Å; F318-I379 VanDerWaalsContact CE2-CG2 3.42Å; F318-I379 HydrophobicContact CZ-CG2 3.53Å; I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 HydrophobicContact CG2-CG1 4.39Å; I375-I379 WeakPolarHBondContact O-CG1 3.29Å; I375-I379 PolarHBondContact O-N 2.79Å; C376-I379 PolarHBondContact O-N 3.32Å; R377-I379 VanDerWaalsContact C-N 3.34Å; I379-L381 VanDerWaalsContact C-N 3.28Å; I379-L381 PolarHBondContact O-N 3.2Å; I379-R382 PolarHBondContact O-N 3.01Å; I379-R382 VanDerWaalsContact O-N 3.14Å; I379-C383 WeakPolarHBondContact O-CB 3.34Å; I379-C383 PolarHBondContact O-N 3Å; I379-C383 PolarHBondContact O-SG 3.13Å; I379-F401 HydrophobicContact CG1-CD1 4.47Å; I379-F401 HydrophobicContact CG1-CE1 3.97Å; I379-F401 HydrophobicContact CG1-CZ 3.97Å
380M78.6Confident76.4Confident70 Ų7072.4 Ų72.435%0.34535%0.353SS..Hα-helixtrans-54.7-41.9177.9-73.3-170.9-70.500112.9P311 C314 C376 R377 C383 G384P311-M380 HydrophobicContact CG-CE 4.26Å; C314-M380 VanDerWaalsContact SG-CE 3.56Å; C314-M380 PolarHBondContact SG-SD 3.13Å; C376-M380 WeakPolarHBondContact O-CG 3.46Å; C376-M380 PolarHBondContact O-N 3.45Å; R377-M380 HydrophobicContact CB-CE 4.41Å; R377-M380 HydrophobicContact CG-CE 3.81Å; R377-M380 PolarHBondContact O-N 3.36Å; M380-C383 PolarHBondContact O-N 3.01Å; M380-G384 PolarHBondContact O-N 3.14Å; M380-G384 VanDerWaalsContact O-N 3.16Å
381L82.6Confident74.5Confident142 Ų14271.9 Ų71.974%0.74336%0.362SS*.Hα-helixtrans-66.7-41.7178.5-74.9169.9000113R377 K378 I379 C383 G384R377-L381 WeakPolarHBondContact O-CB 3.47Å; R377-L381 VanDerWaalsContact O-CG 3.25Å; R377-L381 WeakPolarHBondContact O-CG 3.41Å; R377-L381 PolarHBondContact O-N 2.8Å; K378-L381 PolarHBondContact O-N 2.73Å; I379-L381 VanDerWaalsContact C-N 3.28Å; I379-L381 PolarHBondContact O-N 3.2Å; L381-C383 VanDerWaalsContact C-N 3.3Å; L381-G384 PolarHBondContact O-N 3.44Å
382R75.7Confident72.6Confident132 Ų13273.8 Ų73.850%0.49837%0.372SS..Hα-helixtrans-67.6-36.6176.1-76.6-165.3-176.7165.54.5111.9K378 I379 G384 T400 F401K378-R382 PolarHBondContact O-N 2.6Å; I379-R382 PolarHBondContact O-N 3.01Å; I379-R382 VanDerWaalsContact O-N 3.14Å; R382-G384 VanDerWaalsContact C-N 3.28Å; R382-G384 PolarHBondContact O-N 2.98Å; R382-T400 PolarHBondContact NH1-OG1 3.09Å; R382-T400 VanDerWaalsContact NH1-OG1 3.14Å; R382-T400 PolarHBondContact NH2-O 3.03Å; R382-F401 HydrophobicContact CG-CE1 4.32Å
383C70.3Confident70.8Confident8 Ų874.1 Ų74.15%0.05437%0.374CS..Hα-helixtrans-68-25.7-179.3-83.70000113.6I379 M380 L381 N385 V389I379-C383 WeakPolarHBondContact O-CB 3.34Å; I379-C383 PolarHBondContact O-N 3Å; I379-C383 PolarHBondContact O-SG 3.13Å; M380-C383 PolarHBondContact O-N 3.01Å; L381-C383 VanDerWaalsContact C-N 3.3Å; C383-N385 PolarHBondContact O-N 2.82Å; C383-V389 HydrophobicContact CB-CG2 3.37Å; C383-V389 VanDerWaalsContact SG-CG2 3.58Å
384G60.9Low69Low70 Ų7079 Ų7972%0.72241%0.414SS*.  trans61.7-15.7165.400000117.1M380 L381 R382M380-G384 PolarHBondContact O-N 3.14Å; M380-G384 VanDerWaalsContact O-N 3.16Å; L381-G384 PolarHBondContact O-N 3.44Å; R382-G384 VanDerWaalsContact C-N 3.28Å; R382-G384 PolarHBondContact O-N 2.98Å
385N60.2Low67.3Low82 Ų8275.5 Ų75.544%0.43942%0.422SS..SBendtrans-168.9115.9-177.5-160-0.6000106.9C383 D387 K388 V389C383-N385 PolarHBondContact O-N 2.82Å; N385-D387 PolarHBondContact O-N 2.85Å; N385-K388 HydrophobicContact CB-CB 4.26Å; N385-K388 PolarHBondContact O-N 2.97Å; N385-V389 WeakPolarHBondContact O-CG2 3.42Å
386M57.5Low65.8Low110 Ų11077.1 Ų77.154%0.54243%0.43SS..Hα-helixtrans-53.1-30-177.3-77.2-89.2-92.800112.2K388 V389M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.95Å; M386-V389 WeakPolarHBondContact O-CB 3.35Å; M386-V389 WeakPolarHBondContact O-CG2 3.29Å; M386-V389 PolarHBondContact O-N 2.8Å
387D56.7Low64.6Low106 Ų10683.9 Ų83.957%0.56746%0.46SS*.Hα-helixtrans-71.7-19.4178.6-61.5-29.9000114N385N385-D387 PolarHBondContact O-N 2.85Å
388K56.6Low63.3Low94 Ų9477.8 Ų77.841%0.40944%0.437SS..Hα-helixtrans-93.7-9.9178.2-153.4178.9178.1-133.50112.8N385 M386 L390 S391 E392N385-K388 HydrophobicContact CB-CB 4.26Å; N385-K388 PolarHBondContact O-N 2.97Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.95Å; K388-L390 PolarHBondContact O-N 2.97Å; K388-S391 PolarHBondContact O-N 2.78Å; K388-S391 PolarHBondContact O-OG 2.87Å; K388-E392 WeakPolarHBondContact CE-OE1 3.48Å; K388-E392 WeakPolarHBondContact CE-OE2 3.33Å; K388-E392 IonicContact NZ-OE1 2.68Å; K388-E392 PolarHBondContact NZ-OE1 2.84Å; K388-E392 IonicContact NZ-OE2 2.87Å; K388-E392 PolarHBondContact NZ-OE2 2.78Å; K388-E392 PolarHBondContact O-N 2.76Å
389V54Low62.1Low18 Ų1879 Ų7911%0.10945%0.448CS..Hα-helixtrans-64-43.4-174.8-178.20000111F318 C383 N385 M386 S391 V393F318-V389 HydrophobicContact CE2-CG1 4.14Å; C383-V389 HydrophobicContact CB-CG2 3.37Å; C383-V389 VanDerWaalsContact SG-CG2 3.58Å; N385-V389 WeakPolarHBondContact O-CG2 3.42Å; M386-V389 WeakPolarHBondContact O-CB 3.35Å; M386-V389 WeakPolarHBondContact O-CG2 3.29Å; M386-V389 PolarHBondContact O-N 2.8Å; V389-S391 PolarHBondContact O-N 2.97Å; V389-S391 VanDerWaalsContact O-N 3.14Å; V389-V393 HydrophobicContact CB-CG2 4.45Å; V389-V393 HydrophobicContact CG1-CG2 3.65Å; V389-V393 WeakPolarHBondContact O-CB 3.35Å; V389-V393 WeakPolarHBondContact O-CG2 3.48Å; V389-V393 PolarHBondContact O-N 3.47Å
390L54.1Low61.1Low137 Ų13782.3 Ų82.372%0.71747%0.469SS*.Hα-helixtrans-67.8-21.8-173.2-63.4173.4000113.5K388K388-L390 PolarHBondContact O-N 2.97Å
391S54.2Low60Low91 Ų9179.2 Ų79.264%0.63645%0.454SS*.Hα-helixtrans-100.3-32.7-178.358.10000115.3K388 V389K388-S391 PolarHBondContact O-N 2.78Å; K388-S391 PolarHBondContact O-OG 2.87Å; V389-S391 PolarHBondContact O-N 2.97Å; V389-S391 VanDerWaalsContact O-N 3.14Å
392E55Low58.7Low101 Ų10179 Ų7947%0.47246%0.459SS..Hα-helixtrans-84.3-14.9177.2-81-175.4153.100113.6K388K388-E392 WeakPolarHBondContact CE-OE1 3.48Å; K388-E392 WeakPolarHBondContact CE-OE2 3.33Å; K388-E392 IonicContact NZ-OE1 2.68Å; K388-E392 PolarHBondContact NZ-OE1 2.84Å; K388-E392 IonicContact NZ-OE2 2.87Å; K388-E392 PolarHBondContact NZ-OE2 2.78Å; K388-E392 PolarHBondContact O-N 2.76Å
393V54.4Low57.8Low8 Ų876.4 Ų76.45%0.04846%0.457CS..G310 helixtrans-80-24-170.11580000114.9F318 V389 G395 L396F318-V393 HydrophobicContact CD1-CG1 3.6Å; F318-V393 HydrophobicContact CD2-CG1 3.65Å; F318-V393 HydrophobicContact CD2-CG2 4.45Å; F318-V393 HydrophobicContact CE1-CB 4.11Å; F318-V393 HydrophobicContact CE1-CG1 3.28Å; F318-V393 HydrophobicContact CE1-CG2 4Å; F318-V393 HydrophobicContact CE2-CB 3.91Å; F318-V393 HydrophobicContact CE2-CG1 3.31Å; F318-V393 HydrophobicContact CE2-CG2 3.34Å; F318-V393 HydrophobicContact CG-CG1 3.83Å; F318-V393 HydrophobicContact CZ-CB 3.65Å; F318-V393 HydrophobicContact CZ-CG1 3.17Å; F318-V393 HydrophobicContact CZ-CG2 3.1Å; V389-V393 HydrophobicContact CB-CG2 4.45Å; V389-V393 HydrophobicContact CG1-CG2 3.65Å; V389-V393 WeakPolarHBondContact O-CB 3.35Å; V389-V393 WeakPolarHBondContact O-CG2 3.48Å; V389-V393 PolarHBondContact O-N 3.47Å; V393-G395 PolarHBondContact O-N 3.03Å; V393-L396 HydrophobicContact CG2-CD1 4.4Å; V393-L396 PolarHBondContact O-N 2.76Å
394A54.4Low57.2Low104 Ų10480 Ų8086%0.8648%0.478SS*.G310 helixtrans-57.5-11179.400000114.3
395G57.4Low57Low68 Ų6880.6 Ų80.670%0.70146%0.464SS*.G310 helixtrans-112-2.6176.300000116.9V393 K397V393-G395 PolarHBondContact O-N 3.03Å; G395-K397 PolarHBondContact O-N 3.19Å
396L58Low56.8Low44 Ų4480.5 Ų80.523%0.2347%0.466CS..  trans-92.498.6-170.4-79.7170.8000112.7F318 V393F318-L396 HydrophobicContact CE1-CB 4.1Å; V393-L396 HydrophobicContact CG2-CD1 4.4Å; V393-L396 PolarHBondContact O-N 2.76Å
397K61.8Low56.7Low142 Ų14278.6 Ų78.662%0.61746%0.461SS*.  trans-69.2131.7172.1-66-171.8176.2-171.30112.4G395 D399 T400G395-K397 PolarHBondContact O-N 3.19Å; K397-D399 PolarHBondContact O-N 2.99Å; K397-T400 PolarHBondContact O-N 2.98Å; K397-T400 VanDerWaalsContact O-N 3.12Å; K397-T400 PolarHBondContact O-OG1 3.34Å
398I59.6Low56.7Low5 Ų576.8 Ų76.83%0.02645%0.454CS..G310 helixtrans-60.4-26.8177.6-68.7-177.7000113.1D321 F322 W325 T400 F401D321-I398 HydrophobicContact CB-CB 4.43Å; D321-I398 HydrophobicContact CB-CD1 3.47Å; D321-I398 VanDerWaalsContact CB-CD1 3.47Å; D321-I398 HydrophobicContact CB-CG1 3.67Å; D321-I398 WeakPolarHBondContact O-CD1 3.43Å; F322-I398 VanDerWaalsContact CA-CD1 3.49Å; F322-I398 HydrophobicContact CB-CD1 4.14Å; W325-I398 HydrophobicContact CB-CB 4.33Å; W325-I398 HydrophobicContact CB-CD1 4.33Å; W325-I398 HydrophobicContact CB-CG2 3.61Å; W325-I398 HydrophobicContact CG-CG2 3.63Å; I398-T400 PolarHBondContact O-N 2.89Å; I398-F401 WeakPolarHBondContact O-CB 3.45Å; I398-F401 WeakPolarHBondContact O-CD2 3.27Å; I398-F401 PolarHBondContact O-N 2.94Å
399D62Low56.7Low121 Ų12175.6 Ų75.665%0.64746%0.457SS*.G310 helixtrans-56.1-18.9175.4-61.2-20.5000113.6K397 F401 T402K397-D399 PolarHBondContact O-N 2.99Å; D399-F401 PolarHBondContact O-N 3.36Å; D399-T402 PolarHBondContact O-OG1 3.23Å
400T59.4Low56.9Low76 Ų7680 Ų8047%0.46648%0.484SS..G310 helixtrans-81.41.1174.960.90000114.4R382 K397 I398R382-T400 PolarHBondContact NH1-OG1 3.09Å; R382-T400 VanDerWaalsContact NH1-OG1 3.14Å; R382-T400 PolarHBondContact NH2-O 3.03Å; K397-T400 PolarHBondContact O-N 2.98Å; K397-T400 VanDerWaalsContact O-N 3.12Å; K397-T400 PolarHBondContact O-OG1 3.34Å; I398-T400 PolarHBondContact O-N 2.89Å
401F55.6Low57.2Low5 Ų575.3 Ų75.32%0.02246%0.464CS..THydrogen-bonded Turntrans-116-17.4-173.7-64-91.9000114.7K378 I379 R382 I398 D399K378-F401 HydrophobicContact CB-CD1 3.73Å; K378-F401 HydrophobicContact CB-CE1 4.12Å; K378-F401 HydrophobicContact CD-CB 4.49Å; K378-F401 HydrophobicContact CD-CD1 4.18Å; K378-F401 PolarHBondContact NZ-O 3.4Å; I379-F401 HydrophobicContact CG1-CD1 4.47Å; I379-F401 HydrophobicContact CG1-CE1 3.97Å; I379-F401 HydrophobicContact CG1-CZ 3.97Å; R382-F401 HydrophobicContact CG-CE1 4.32Å; I398-F401 WeakPolarHBondContact O-CB 3.45Å; I398-F401 WeakPolarHBondContact O-CD2 3.27Å; I398-F401 PolarHBondContact O-N 2.94Å; D399-F401 PolarHBondContact O-N 3.36Å
402T54.3Low57.4Low138 Ų13873.8 Ų73.885%0.84745%0.449SS*.  trans-77.40166.153.10000109.9D399D399-T402 PolarHBondContact O-OG1 3.23Å

Retrieved 402 of 402 residues in 245.2 ms (Link to these results)

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