A0A077Z637_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z637, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M49.5Very low75.1Confident201 Ų201139.7 Ų139.799%0.9960%0.603SS**  0125.10-73.7-66.6177.200109.6R3M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.17Å
2P54Low76.1Confident69 Ų69132.2 Ų132.245%0.44859%0.586SS.*  trans-55.6122.9175-17.928.2000109.2P4 R5P2-P4 HydrophobicContact CB-CG 4.1Å; P2-P4 WeakPolarHBondContact O-CD 3.47Å; P2-R5 PolarHBondContact O-N 3.34Å
3R60.5Low77.1Confident226 Ų226122.2 Ų122.285%0.85354%0.542SS*.Hα-helixtrans-41.3-36.2178.1-69.7-178.5177.6175.6-0.6114.9M1 R5M1-R3 PolarHBondContact O-N 2.65Å; M1-R3 VanDerWaalsContact O-N 3.17Å; R3-R5 PolarHBondContact O-N 3.49Å
4P69.3Low78Confident76 Ų76115.5 Ų115.549%0.49451%0.514SS..Hα-helixtrans-66.9-32.2177.823.6-35.8000114.9P2 R7 R8P2-P4 HydrophobicContact CB-CG 4.1Å; P2-P4 WeakPolarHBondContact O-CD 3.47Å; P4-R7 PolarHBondContact O-N 2.73Å; P4-R8 PolarHBondContact O-N 3.21Å
5R75.3Confident78.5Confident177 Ų177110.8 Ų110.867%0.66851%0.505SS*.Hα-helixtrans-67.5-40.9-176.8-69.2-170.9178.4-177.9-0.8111.7P2 R3 R7 R8 A9P2-R5 PolarHBondContact O-N 3.34Å; R3-R5 PolarHBondContact O-N 3.49Å; R5-R7 PolarHBondContact O-N 3.15Å; R5-R8 PolarHBondContact O-N 3.07Å; R5-A9 WeakPolarHBondContact O-CB 3.31Å; R5-A9 PolarHBondContact O-N 3.46Å
6R81.8Confident79Confident159 Ų159107.8 Ų107.860%0.649%0.491SS*.Hα-helixtrans-65.3-38.7179.6-167.5177.4-178.9-174.70.4112.4A9 F10 F60R6-A9 PolarHBondContact O-N 3.04Å; R6-F10 WeakPolarHBondContact O-CB 3.38Å; R6-F10 PolarHBondContact O-N 3.11Å; R6-F60 HydrophobicContact CG-CE1 3.66Å; R6-F60 HydrophobicContact CG-CZ 4.15Å
7R84.3Confident79.5Confident203 Ų203101.5 Ų101.577%0.76646%0.463SS*.Hα-helixtrans-66.7-42.8177.6-73.3-174.5175.7-175.5-1.5112.4P4 R5 F10 K11P4-R7 PolarHBondContact O-N 2.73Å; R5-R7 PolarHBondContact O-N 3.15Å; R7-F10 PolarHBondContact O-N 3.41Å; R7-K11 PolarHBondContact O-N 2.88Å
8R86.2Confident79.9Confident197 Ų19797.9 Ų97.974%0.74345%0.447SS*.Hα-helixtrans-61.9-45.5175.8-69.6-178.4-176.8-176.80.3111.3P4 R5 F10 K11 A12P4-R8 PolarHBondContact O-N 3.21Å; R5-R8 PolarHBondContact O-N 3.07Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.32Å; R8-K11 PolarHBondContact O-N 3.22Å; R8-A12 WeakPolarHBondContact O-CB 3.49Å; R8-A12 PolarHBondContact O-N 3.24Å
9A87Confident80.1Confident18 Ų1898.3 Ų98.315%0.14944%0.444CS..Hα-helixtrans-62-38.117600000112.3R5 R6 A12 L13 V59 F60R5-A9 WeakPolarHBondContact O-CB 3.31Å; R5-A9 PolarHBondContact O-N 3.46Å; R6-A9 PolarHBondContact O-N 3.04Å; A9-A12 PolarHBondContact O-N 3.13Å; A9-L13 WeakPolarHBondContact O-CB 3.48Å; A9-L13 PolarHBondContact O-N 3.3Å; A9-V59 HydrophobicContact CB-CB 4.49Å; A9-V59 HydrophobicContact CB-CG1 3.75Å; A9-F60 HydrophobicContact CB-CE2 3.62Å; A9-F60 HydrophobicContact CB-CZ 3.78Å
10F89.1Confident80.2Confident51 Ų5194.9 Ų94.922%0.22443%0.429CS..Hα-helixtrans-65.6-44.1176.8-176-91.2000111.8R6 R7 R8 A12 L13 L14 F60 F66 V70R6-F10 WeakPolarHBondContact O-CB 3.38Å; R6-F10 PolarHBondContact O-N 3.11Å; R7-F10 PolarHBondContact O-N 3.41Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.32Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 2.96Å; F10-L13 PolarHBondContact O-N 2.96Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.38Å; F10-F60 HydrophobicContact CB-CZ 3.94Å; F10-F66 HydrophobicContact CD2-CZ 4.1Å; F10-F66 HydrophobicContact CE2-CE2 4.48Å; F10-F66 HydrophobicContact CE2-CZ 4.25Å; F10-V70 HydrophobicContact CD2-CG2 4.43Å; F10-V70 HydrophobicContact CE2-CG2 3.66Å; F10-V70 HydrophobicContact CZ-CG2 4.2Å
11K88.7Confident80.4Confident160 Ų16090.7 Ų90.770%0.69641%0.41SS*.Hα-helixtrans-63-40176.3-171.1178.3-179.6-178.50111.8R7 R8 L14 A15R7-K11 PolarHBondContact O-N 2.88Å; R8-K11 PolarHBondContact O-N 3.22Å; K11-L14 PolarHBondContact O-N 3.05Å; K11-A15 WeakPolarHBondContact O-CB 3.46Å; K11-A15 PolarHBondContact O-N 3.49Å
12A87.7Confident81.8Confident49 Ų4981.7 Ų81.741%0.40537%0.366SS..Hα-helixtrans-64.9-40175.600000112.1R8 A9 F10 Q16 F56R8-A12 WeakPolarHBondContact O-CB 3.49Å; R8-A12 PolarHBondContact O-N 3.24Å; A9-A12 PolarHBondContact O-N 3.13Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 2.96Å; A12-Q16 WeakPolarHBondContact O-CB 3.45Å; A12-Q16 PolarHBondContact O-N 2.87Å; A12-F56 HydrophobicContact CB-CE1 3.96Å; A12-F56 HydrophobicContact CB-CZ 4.22Å
13L89.2Confident82.9Confident2 Ų279 Ų791%0.0135%0.348CS..Hα-helixtrans-63.4-47.1174.3178.965.9000111.3A9 F10 A15 Q16 V17 I52 F56 F60 M62 F66 V70A9-L13 WeakPolarHBondContact O-CB 3.48Å; A9-L13 PolarHBondContact O-N 3.3Å; F10-L13 PolarHBondContact O-N 2.96Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 3.39Å; L13-Q16 PolarHBondContact O-N 2.95Å; L13-V17 HydrophobicContact CD1-CG2 4.27Å; L13-V17 HydrophobicContact CG-CG2 4.45Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.33Å; L13-I52 HydrophobicContact CD1-CD1 4.37Å; L13-I52 HydrophobicContact CD1-CG1 4.49Å; L13-I52 HydrophobicContact CD1-CG2 3.81Å; L13-F56 HydrophobicContact CB-CD1 3.9Å; L13-F56 HydrophobicContact CB-CE1 3.83Å; L13-F56 HydrophobicContact CB-CG 4.44Å; L13-F56 HydrophobicContact CB-CZ 4.32Å; L13-F56 HydrophobicContact CD1-CB 4.11Å; L13-F56 HydrophobicContact CD1-CD1 4.1Å; L13-F56 HydrophobicContact CD1-CD2 3.83Å; L13-F56 HydrophobicContact CD1-CE1 4.47Å; L13-F56 HydrophobicContact CD1-CE2 4.22Å; L13-F56 HydrophobicContact CD1-CG 3.76Å; L13-F60 HydrophobicContact CD2-CD2 4.38Å; L13-M62 HydrophobicContact CD1-CE 3.83Å; L13-M62 HydrophobicContact CD2-CE 3.81Å; L13-M62 HydrophobicContact CD2-SD 4.36Å; L13-M62 HydrophobicContact CG-CE 4.48Å; L13-F66 HydrophobicContact CD2-CE1 3.64Å; L13-F66 HydrophobicContact CD2-CZ 4.32Å; L13-V70 HydrophobicContact CD2-CG1 4.49Å; L13-V70 HydrophobicContact CD2-CG2 3.9Å; L13-V70 HydrophobicContact CG-CG1 4.5Å
14L89.2Confident83.6Confident29 Ų2970.4 Ų70.415%0.15232%0.322CS..Hα-helixtrans-57-49178-173.268.2000111.2F10 K11 Q16 V17 E18 V70F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.38Å; K11-L14 PolarHBondContact O-N 3.05Å; L14-Q16 VanDerWaalsContact C-N 3.31Å; L14-Q16 PolarHBondContact O-N 2.87Å; L14-V17 PolarHBondContact O-N 3.16Å; L14-E18 WeakPolarHBondContact O-CG 3.39Å; L14-E18 PolarHBondContact O-N 2.93Å; L14-V70 HydrophobicContact CD1-CG1 3.93Å; L14-V70 WeakPolarHBondContact CD1-O 3.43Å
15A86.1Confident83.6Confident45 Ų4566.9 Ų66.937%0.37230%0.299SS..Hα-helixtrans-62.2-38.1178.100000112.4K11 L13 R19K11-A15 WeakPolarHBondContact O-CB 3.46Å; K11-A15 PolarHBondContact O-N 3.49Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 3.39Å; A15-R19 VanDerWaalsContact O-CB 3.3Å; A15-R19 WeakPolarHBondContact O-CB 3.49Å; A15-R19 PolarHBondContact O-N 2.81Å
16Q86.4Confident83.3Confident63 Ų6364.1 Ų64.129%0.29429%0.288SS..Hα-helixtrans-66-43.9175.9-175.864.817.700111.5A12 L13 L14 R19 M20 P53 F56A12-Q16 WeakPolarHBondContact O-CB 3.45Å; A12-Q16 PolarHBondContact O-N 2.87Å; L13-Q16 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.31Å; L14-Q16 PolarHBondContact O-N 2.87Å; Q16-R19 WeakPolarHBondContact O-CB 3.16Å; Q16-R19 PolarHBondContact O-N 3.25Å; Q16-M20 WeakPolarHBondContact O-CG 3.32Å; Q16-M20 PolarHBondContact O-N 3.24Å; Q16-P53 HydrophobicContact CG-CG 4.34Å; Q16-F56 HydrophobicContact CB-CE2 4.19Å; Q16-F56 HydrophobicContact CB-CZ 4.35Å; Q16-F56 HydrophobicContact CG-CE2 4.2Å
17V87.8Confident82.7Confident1 Ų160.3 Ų60.31%0.00628%0.279CS..Hα-helixtrans-63-48.4177.3170.40000110L13 L14 R19 M20 F21 L48 I52 V70 L77L13-V17 HydrophobicContact CD1-CG2 4.27Å; L13-V17 HydrophobicContact CG-CG2 4.45Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.16Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.26Å; V17-M20 WeakPolarHBondContact O-CB 3.37Å; V17-M20 PolarHBondContact O-N 2.83Å; V17-F21 HydrophobicContact CG1-CD2 4.49Å; V17-F21 HydrophobicContact CG1-CE2 4.14Å; V17-F21 VanDerWaalsContact O-CD2 3.26Å; V17-F21 WeakPolarHBondContact O-CD2 3.42Å; V17-L48 HydrophobicContact CG1-CD1 4.22Å; V17-L48 HydrophobicContact CG1-CD2 4.16Å; V17-L48 HydrophobicContact CG2-CD1 4.48Å; V17-I52 HydrophobicContact CG2-CD1 4.17Å; V17-I52 HydrophobicContact CG2-CG1 4.29Å; V17-V70 HydrophobicContact CG2-CG1 4.46Å; V17-L77 HydrophobicContact CG1-CD1 3.66Å
18E86.3Confident81.7Confident36 Ų3651.2 Ų51.217%0.16825%0.246CC..Hα-helixtrans-57.1-43.7175.9-73.2-177.414300111.7L14 M20 F21 V22 N76 L77L14-E18 WeakPolarHBondContact O-CG 3.39Å; L14-E18 PolarHBondContact O-N 2.93Å; E18-M20 PolarHBondContact O-N 2.68Å; E18-F21 PolarHBondContact O-N 3.47Å; E18-V22 WeakPolarHBondContact O-CG2 3.43Å; E18-V22 PolarHBondContact O-N 3.26Å; E18-N76 PolarHBondContact OE1-ND2 3.14Å; E18-L77 HydrophobicContact CG-CD1 4.27Å; E18-L77 HydrophobicContact CG-CG 4.48Å
19R83.5Confident80.3Confident106 Ų10643.6 Ų43.640%0.422%0.223SC..Hα-helixtrans-58.8-31177.2-172.5176-174.4154.24.8113.2A15 Q16 V17 F21 V22 F125A15-R19 VanDerWaalsContact O-CB 3.3Å; A15-R19 WeakPolarHBondContact O-CB 3.49Å; A15-R19 PolarHBondContact O-N 2.81Å; Q16-R19 WeakPolarHBondContact O-CB 3.16Å; Q16-R19 PolarHBondContact O-N 3.25Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.26Å; R19-F21 VanDerWaalsContact C-N 3.28Å; R19-F21 PolarHBondContact O-N 3.05Å; R19-V22 PolarHBondContact O-N 3.17Å; R19-F125 HydrophobicContact CB-CD1 4.15Å; R19-F125 HydrophobicContact CB-CE1 3.91Å; R19-F125 HydrophobicContact CG-CD1 3.93Å; R19-F125 HydrophobicContact CG-CE1 4.22Å; R19-F125 VanDerWaalsContact CZ-O 3.29Å; R19-F125 PolarHBondContact NH2-O 3.34Å
20M82.9Confident79Confident29 Ų2952 Ų5214%0.14325%0.251CS..Hα-helixtrans-70.6-23.5178.4-69172.250.600113.7Q16 V17 E18 L41 L48 R51Q16-M20 WeakPolarHBondContact O-CG 3.32Å; Q16-M20 PolarHBondContact O-N 3.24Å; V17-M20 WeakPolarHBondContact O-CB 3.37Å; V17-M20 PolarHBondContact O-N 2.83Å; E18-M20 PolarHBondContact O-N 2.68Å; M20-L41 WeakPolarHBondContact O-CD1 3.26Å; M20-L48 HydrophobicContact CE-CD1 3.49Å; M20-L48 VanDerWaalsContact CE-CD1 3.49Å; M20-L48 HydrophobicContact SD-CD1 4Å; M20-R51 HydrophobicContact CE-CB 3.21Å; M20-R51 HydrophobicContact CE-CG 4.05Å; M20-R51 HydrophobicContact SD-CB 4.21Å
21F82.6Confident77.5Confident7 Ų752.1 Ų52.13%0.03125%0.252CS..THydrogen-bonded Turntrans-93.51.4175.2-68.6-83.5000112.6V17 E18 R19 L41 F43 L48 L77 V86V17-F21 HydrophobicContact CG1-CD2 4.49Å; V17-F21 HydrophobicContact CG1-CE2 4.14Å; V17-F21 VanDerWaalsContact O-CD2 3.26Å; V17-F21 WeakPolarHBondContact O-CD2 3.42Å; E18-F21 PolarHBondContact O-N 3.47Å; R19-F21 VanDerWaalsContact C-N 3.28Å; R19-F21 PolarHBondContact O-N 3.05Å; F21-L41 HydrophobicContact CD1-CB 4.44Å; F21-L41 VanDerWaalsContact CD1-O 3.29Å; F21-L41 WeakPolarHBondContact CD1-O 3.48Å; F21-F43 HydrophobicContact CD1-CD2 4.11Å; F21-F43 HydrophobicContact CD1-CE2 4.46Å; F21-F43 HydrophobicContact CE1-CB 4.28Å; F21-F43 AromaticContact CE1-CD2 3.47Å; F21-F43 HydrophobicContact CE1-CD2 3.47Å; F21-F43 VanDerWaalsContact CE1-CD2 3.47Å; F21-F43 HydrophobicContact CE1-CE2 4.25Å; F21-F43 HydrophobicContact CE1-CG 4.3Å; F21-F43 HydrophobicContact CE2-CD2 4.4Å; F21-F43 HydrophobicContact CZ-CB 4.13Å; F21-F43 AromaticContact CZ-CD2 3.63Å; F21-F43 HydrophobicContact CZ-CD2 3.63Å; F21-F43 HydrophobicContact CZ-CG 4.37Å; F21-L48 HydrophobicContact CE2-CD1 4.15Å; F21-L48 HydrophobicContact CE2-CD2 4.4Å; F21-L77 HydrophobicContact CB-CD2 3.65Å; F21-L77 HydrophobicContact CD1-CD2 4.32Å; F21-L77 HydrophobicContact CD2-CD1 3.81Å; F21-L77 HydrophobicContact CD2-CD2 3.51Å; F21-L77 HydrophobicContact CD2-CG 4.32Å; F21-L77 HydrophobicContact CE2-CD1 4.04Å; F21-L77 HydrophobicContact CE2-CD2 4.28Å; F21-L77 HydrophobicContact CG-CD2 3.56Å; F21-V86 HydrophobicContact CE1-CB 4.08Å; F21-V86 HydrophobicContact CE1-CG1 3.91Å; F21-V86 WeakPolarHBondContact CE1-O 3.34Å; F21-V86 HydrophobicContact CE2-CB 4.43Å; F21-V86 HydrophobicContact CE2-CG1 3.76Å; F21-V86 HydrophobicContact CZ-CB 3.59Å; F21-V86 HydrophobicContact CZ-CG1 3.33Å
22V79.3Confident75.9Confident12 Ų1247.1 Ų47.17%0.07323%0.232CC..SBendtrans-89.8125.7173.5178.60000108.4E18 R19 P24 F125 Q148E18-V22 WeakPolarHBondContact O-CG2 3.43Å; E18-V22 PolarHBondContact O-N 3.26Å; R19-V22 PolarHBondContact O-N 3.17Å; V22-P24 WeakPolarHBondContact O-CD 3.24Å; V22-F125 HydrophobicContact CG1-CD2 4.29Å; V22-F125 HydrophobicContact CG2-CD2 3.96Å; V22-F125 HydrophobicContact CG2-CE2 3.8Å; V22-F125 HydrophobicContact CG2-CG 4.5Å; V22-F125 HydrophobicContact CG2-CZ 4.25Å; V22-Q148 HydrophobicContact CG1-CG 4.27Å
23I77.2Confident74.5Confident14 Ų1449.1 Ų49.17%0.07225%0.249CC..PPolyproline II helixtrans-79.5117.7177.4-58.9177.2000107.8L27 L28 I38 L41 Q148I23-L27 HydrophobicContact CG2-CB 4.03Å; I23-L28 HydrophobicContact CB-CD2 4.14Å; I23-L28 HydrophobicContact CG2-CD2 3.62Å; I23-L28 HydrophobicContact CG2-CG 4.27Å; I23-I38 HydrophobicContact CD1-CG2 3.12Å; I23-L41 HydrophobicContact CG1-CD1 3.89Å; I23-L41 HydrophobicContact CG1-CG 4.04Å; I23-Q148 PolarHBondContact O-NE2 3.17Å; I23-Q148 VanDerWaalsContact O-NE2 3.14Å; I23-Q148 PolarHBondContact O-OE1 3.31Å
24P75.6Confident73.2Confident45 Ų4551.9 Ų51.929%0.29227%0.272SS..PPolyproline II helixtrans-63.4146-178.224.1-33.1000111V22 R26 L27 L28 D126V22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-R26 PolarHBondContact O-N 2.96Å; P24-L27 HydrophobicContact CG-CB 4.42Å; P24-L27 HydrophobicContact CG-CD1 3.76Å; P24-L27 HydrophobicContact CG-CG 3.92Å; P24-L27 PolarHBondContact O-N 3.02Å; P24-L28 PolarHBondContact O-N 3.07Å; P24-D126 WeakPolarHBondContact CA-OD2 3.42Å; P24-D126 WeakPolarHBondContact CB-OD2 3.18Å
25C69.6Low71.6Confident1 Ų153.9 Ų53.91%0.00730%0.3CS..Hα-helixtrans-56-31.2-176.3-65.50000112.6L27 L28 S29 D126 H128 F146 Q148C25-L27 PolarHBondContact O-N 2.92Å; C25-L28 WeakPolarHBondContact O-CB 3.4Å; C25-L28 PolarHBondContact O-N 2.9Å; C25-S29 PolarHBondContact O-N 3.31Å; C25-S29 PolarHBondContact O-OG 3.09Å; C25-D126 PolarHBondContact N-OD2 2.98Å; C25-H128 HydrophobicContact CB-CB 3.6Å; C25-F146 HydrophobicContact CB-CB 3.67Å; C25-F146 HydrophobicContact CB-CG 4.49Å; C25-Q148 VanDerWaalsContact SG-CB 3.57Å
26R69.5Low70.3Confident120 Ų12060.7 Ų60.745%0.45332%0.316SS..Hα-helixtrans-58.4-34.6177.1-47.3-164.7175.2171.4-4.3113P24 E111 H128P24-R26 PolarHBondContact O-N 2.96Å; R26-E111 IonicContact CZ-OE2 3.96Å; R26-E111 IonicContact NH2-OE1 2.76Å; R26-E111 IonicContact NH2-OE2 2.79Å; R26-E111 PolarHBondContact NH2-OE2 3.16Å; R26-H128 HydrophobicContact CG-CB 3.9Å
27L68.7Low68.8Low79 Ų7965.8 Ų65.841%0.41433%0.333SS..Hα-helixtrans-83.2-33.2179.1-66.3-178.4000111.6I23 P24 C25 S29 R30 Q31I23-L27 HydrophobicContact CG2-CB 4.03Å; P24-L27 HydrophobicContact CG-CB 4.42Å; P24-L27 HydrophobicContact CG-CD1 3.76Å; P24-L27 HydrophobicContact CG-CG 3.92Å; P24-L27 PolarHBondContact O-N 3.02Å; C25-L27 PolarHBondContact O-N 2.92Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.08Å; L27-R30 PolarHBondContact O-N 2.87Å; L27-Q31 WeakPolarHBondContact O-CB 3.44Å; L27-Q31 WeakPolarHBondContact O-CG 3.49Å; L27-Q31 PolarHBondContact O-N 3.45Å
28L63Low67.6Low12 Ų1267 Ų676%0.06334%0.339CS..Hα-helixtrans-56.6-49.6176-58.7-178.2000110.6I23 P24 C25 R30 Q31 L32 I38I23-L28 HydrophobicContact CB-CD2 4.14Å; I23-L28 HydrophobicContact CG2-CD2 3.62Å; I23-L28 HydrophobicContact CG2-CG 4.27Å; P24-L28 PolarHBondContact O-N 3.07Å; C25-L28 WeakPolarHBondContact O-CB 3.4Å; C25-L28 PolarHBondContact O-N 2.9Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 2.88Å; L28-Q31 PolarHBondContact O-N 3.11Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 2.93Å; L28-I38 HydrophobicContact CD2-CD1 3.49Å; L28-I38 VanDerWaalsContact CD2-CD1 3.49Å
29S58Low66.4Low37 Ų3773 Ų7326%0.25937%0.367SS..Hα-helixtrans-62.4-38.6179.7-49.30000113.1C25 L27 A33 F146C25-S29 PolarHBondContact O-N 3.31Å; C25-S29 PolarHBondContact O-OG 3.09Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.08Å; S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 3.17Å; S29-F146 WeakPolarHBondContact OG-CE2 3.33Å
30R59.5Low65.6Low193 Ų19372 Ų7273%0.72838%0.375SS*.Hα-helixtrans-76.5-39.5-179.2-69.5-176.881.4171.34.8112.8L27 L28 A34L27-R30 PolarHBondContact O-N 2.87Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 2.88Å; R30-A34 WeakPolarHBondContact O-CB 3.49Å; R30-A34 PolarHBondContact O-N 3.1Å; R30-A34 VanDerWaalsContact O-N 3.14Å
31Q56.7Low65.2Low55 Ų5573.4 Ų73.426%0.25738%0.383SS..Hα-helixtrans-72.9-37.9-178.6-73.1-170.3-32.800111.9L27 L28 A34 G35 R36 I38L27-Q31 WeakPolarHBondContact O-CB 3.44Å; L27-Q31 WeakPolarHBondContact O-CG 3.49Å; L27-Q31 PolarHBondContact O-N 3.45Å; L28-Q31 PolarHBondContact O-N 3.11Å; Q31-A34 CarbonylContact O-C 3.56Å; Q31-A34 PolarHBondContact O-N 2.8Å; Q31-G35 PolarHBondContact O-N 3.48Å; Q31-R36 PolarHBondContact O-N 3.06Å; Q31-I38 HydrophobicContact CB-CG1 4.38Å
32L55.5Low65.2Low54 Ų5476.5 Ų76.528%0.28340%0.398SS..Hα-helixtrans-60.7-46.8172.1-72.7168.7000111.8L28 A34 G35 W214 L219L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 2.93Å; L32-A34 PolarHBondContact O-N 3.43Å; L32-G35 PolarHBondContact O-N 3.17Å; L32-G35 VanDerWaalsContact O-N 3.12Å; L32-W214 HydrophobicContact CD1-CZ2 3.75Å; L32-L219 HydrophobicContact CD2-CD1 3.37Å; L32-L219 HydrophobicContact CD2-CD2 3.69Å; L32-L219 HydrophobicContact CD2-CG 4.17Å
33A58Low65.4Low92 Ų9276.5 Ų76.576%0.7640%0.397SS*.Hα-helixtrans-63-27.7176.800000112.9S29S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 3.17Å
34A61.7Low65.9Low60 Ų6078 Ų7850%0.49641%0.406SS..THydrogen-bonded Turntrans-86.7-1.5178.700000113.8R30 Q31 L32 R36R30-A34 WeakPolarHBondContact O-CB 3.49Å; R30-A34 PolarHBondContact O-N 3.1Å; R30-A34 VanDerWaalsContact O-N 3.14Å; Q31-A34 CarbonylContact O-C 3.56Å; Q31-A34 PolarHBondContact O-N 2.8Å; L32-A34 PolarHBondContact O-N 3.43Å; A34-R36 HydrophobicContact CB-CG 4.11Å; A34-R36 PolarHBondContact O-N 3.43Å; A34-R36 VanDerWaalsContact O-N 3.09Å
35G56.1Low66.3Low71 Ų7176.2 Ų76.273%0.73239%0.394SS*.THydrogen-bonded Turntrans60.317.5-175.900000113.9Q31 L32Q31-G35 PolarHBondContact O-N 3.48Å; L32-G35 PolarHBondContact O-N 3.17Å; L32-G35 VanDerWaalsContact O-N 3.12Å
36R57.7Low67.1Low187 Ų18782.1 Ų82.171%0.70642%0.422SS*.  trans-86.5130.7-179.4-68.8-174.8-179.8-176.7-0.9108.8Q31 A34 I38Q31-R36 PolarHBondContact O-N 3.06Å; A34-R36 HydrophobicContact CB-CG 4.11Å; A34-R36 PolarHBondContact O-N 3.43Å; A34-R36 VanDerWaalsContact O-N 3.09Å; R36-I38 PolarHBondContact O-N 3.48Å
37R56.7Low67.9Low171 Ų17180 Ų8065%0.64542%0.417SS*.  trans-52.2130.2166.7-86.4-177.2162.5166.2-5.2108.8Q39R37-Q39 PolarHBondContact O-N 2.94Å
38I61.1Low68.7Low25 Ų2576.3 Ų76.313%0.12840%0.398CS..  trans-69.8103.8175.8-59.1-159.2000106.6I23 L28 Q31 R36 C40 W96I23-I38 HydrophobicContact CD1-CG2 3.12Å; L28-I38 HydrophobicContact CD2-CD1 3.49Å; L28-I38 VanDerWaalsContact CD2-CD1 3.49Å; Q31-I38 HydrophobicContact CB-CG1 4.38Å; R36-I38 PolarHBondContact O-N 3.48Å; I38-C40 PolarHBondContact O-N 3.42Å; I38-C40 VanDerWaalsContact O-N 3.13Å; I38-W96 HydrophobicContact CD1-CH2 4.48Å; I38-W96 HydrophobicContact CD1-CZ2 3.38Å; I38-W96 HydrophobicContact CG1-CZ2 3.98Å
39Q60.8Low69.8Low162 Ų16278.4 Ų78.476%0.75741%0.409SS*.  trans-64.3116.9172.9-70-178.8-10.400107.6R37 L41R37-Q39 PolarHBondContact O-N 2.94Å; Q39-L41 PolarHBondContact O-N 2.94Å
40C66.7Low71.2Confident87 Ų8785.3 Ų85.359%0.58843%0.429SS*.  trans-48.1130.2166.2-69.50000108.2I38 E42I38-C40 PolarHBondContact O-N 3.42Å; I38-C40 VanDerWaalsContact O-N 3.13Å; C40-E42 PolarHBondContact O-N 2.94Å; C40-E42 VanDerWaalsContact O-N 3.11Å
41L76.3Confident72.4Confident58 Ų5883.2 Ų83.230%0.30442%0.421SS..  trans-67.7114.8177.2-67.4172.9000107.9M20 F21 I23 Q39 F43M20-L41 WeakPolarHBondContact O-CD1 3.26Å; F21-L41 HydrophobicContact CD1-CB 4.44Å; F21-L41 VanDerWaalsContact CD1-O 3.29Å; F21-L41 WeakPolarHBondContact CD1-O 3.48Å; I23-L41 HydrophobicContact CG1-CD1 3.89Å; I23-L41 HydrophobicContact CG1-CG 4.04Å; Q39-L41 PolarHBondContact O-N 2.94Å; L41-F43 HydrophobicContact CB-CE2 3.97Å; L41-F43 HydrophobicContact CB-CZ 4.27Å; L41-F43 HydrophobicContact CD2-CZ 4.25Å
42E81.8Confident73.8Confident72 Ų7281.1 Ų81.134%0.33641%0.412SS..  trans-113.4132.2172.8-60.6-17516800108.2C40 R85 V86 R87C40-E42 PolarHBondContact O-N 2.94Å; C40-E42 VanDerWaalsContact O-N 3.11Å; E42-R85 IonicContact OE2-NH1 3.24Å; E42-R85 PolarHBondContact OE2-NH1 3.37Å; E42-V86 WeakPolarHBondContact CA-O 3.41Å; E42-R87 HydrophobicContact CG-CB 4.15Å
43F83.9Confident75.2Confident12 Ų1280.6 Ų80.65%0.05341%0.411CS..EExtended strand (participates in β ladder)trans-128.4140.7175.4-64.3-61.2000110.1F21 L41 E47 R85 V86F21-F43 HydrophobicContact CD1-CD2 4.11Å; F21-F43 HydrophobicContact CD1-CE2 4.46Å; F21-F43 HydrophobicContact CE1-CB 4.28Å; F21-F43 AromaticContact CE1-CD2 3.47Å; F21-F43 HydrophobicContact CE1-CD2 3.47Å; F21-F43 VanDerWaalsContact CE1-CD2 3.47Å; F21-F43 HydrophobicContact CE1-CE2 4.25Å; F21-F43 HydrophobicContact CE1-CG 4.3Å; F21-F43 HydrophobicContact CE2-CD2 4.4Å; F21-F43 HydrophobicContact CZ-CB 4.13Å; F21-F43 AromaticContact CZ-CD2 3.63Å; F21-F43 HydrophobicContact CZ-CD2 3.63Å; F21-F43 HydrophobicContact CZ-CG 4.37Å; L41-F43 HydrophobicContact CB-CE2 3.97Å; L41-F43 HydrophobicContact CB-CZ 4.27Å; L41-F43 HydrophobicContact CD2-CZ 4.25Å; F43-E47 HydrophobicContact CB-CB 4.34Å; F43-E47 HydrophobicContact CD1-CB 4.35Å; F43-R85 WeakPolarHBondContact O-CA 3.36Å; F43-V86 PolarHBondContact N-O 3.42Å; F43-V86 VanDerWaalsContact N-O 3.1Å; F43-V86 PolarHBondContact O-N 3.27Å
44T87.2Confident76.4Confident44 Ų4481.2 Ų81.227%0.2741%0.408SS..EExtended strand (participates in β ladder)trans-68.1156.8162.9590000110E46 E47 L48 R85T44-E46 PolarHBondContact O-N 3.5Å; T44-E47 PolarHBondContact N-OE2 3.45Å; T44-E47 PolarHBondContact O-N 3.41Å; T44-E47 VanDerWaalsContact O-N 3.16Å; T44-E47 WeakPolarHBondContact OG1-CB 3.26Å; T44-E47 VanDerWaalsContact OG1-CD 3.22Å; T44-E47 WeakPolarHBondContact OG1-CG 3.43Å; T44-E47 PolarHBondContact OG1-N 2.91Å; T44-E47 PolarHBondContact OG1-OE2 2.88Å; T44-L48 PolarHBondContact O-N 3.2Å; T44-R85 HydrophobicContact CG2-CG 4.3Å
45I85Confident77.5Confident9 Ų984 Ų845%0.04641%0.413CS..Hα-helixtrans-59.8-35178.3-60.4166.9000110.7L48 L49 E64 V67 R68 V86I45-L48 PolarHBondContact O-N 3.26Å; I45-L49 HydrophobicContact CG2-CD1 4.43Å; I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 3.07Å; I45-E64 HydrophobicContact CB-CG 4.27Å; I45-E64 HydrophobicContact CD1-CG 4.05Å; I45-E64 HydrophobicContact CG2-CB 4.43Å; I45-E64 HydrophobicContact CG2-CG 3.67Å; I45-V67 HydrophobicContact CG2-CB 4.02Å; I45-V67 HydrophobicContact CG2-CG1 3.97Å; I45-R68 HydrophobicContact CD1-CG 3.7Å; I45-V86 HydrophobicContact CG1-CG2 4.37Å
46E85Confident78.7Confident125 Ų12581.8 Ų81.858%0.58438%0.383SS*.Hα-helixtrans-64.5-44.3175.3-63.3-173.3-174.400113T44 L48 L49 R50T44-E46 PolarHBondContact O-N 3.5Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3.47Å; E46-L49 WeakPolarHBondContact O-CB 3.37Å; E46-L49 PolarHBondContact O-N 3.2Å; E46-R50 WeakPolarHBondContact O-CG 3.29Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 VanDerWaalsContact O-N 3.11Å; E46-R50 IonicContact OE2-NH2 3.34Å; E46-R50 PolarHBondContact OE2-NH2 3.23Å
47E86.3Confident79.7Confident76 Ų7676.4 Ų76.436%0.35537%0.374SS..Hα-helixtrans-65.1-38.1175.9-74166.7145.200111.6F43 T44 L49 R50 R51F43-E47 HydrophobicContact CB-CB 4.34Å; F43-E47 HydrophobicContact CD1-CB 4.35Å; T44-E47 PolarHBondContact N-OE2 3.45Å; T44-E47 PolarHBondContact O-N 3.41Å; T44-E47 VanDerWaalsContact O-N 3.16Å; T44-E47 WeakPolarHBondContact OG1-CB 3.26Å; T44-E47 VanDerWaalsContact OG1-CD 3.22Å; T44-E47 WeakPolarHBondContact OG1-CG 3.43Å; T44-E47 PolarHBondContact OG1-N 2.91Å; T44-E47 PolarHBondContact OG1-OE2 2.88Å; E47-L49 VanDerWaalsContact C-N 3.35Å; E47-R50 PolarHBondContact O-N 3.36Å; E47-R51 WeakPolarHBondContact O-CG 3.49Å; E47-R51 PolarHBondContact O-N 3.28Å; E47-R51 VanDerWaalsContact O-N 3.13Å
48L85.9Confident80.9Confident0 Ų073.7 Ų73.70%038%0.376CS..Hα-helixtrans-61.8-44.6175.5-175.855.8000110.6V17 M20 F21 T44 I45 E46 R50 R51 I52 V67 V71 V86V17-L48 HydrophobicContact CG1-CD1 4.22Å; V17-L48 HydrophobicContact CG1-CD2 4.16Å; V17-L48 HydrophobicContact CG2-CD1 4.48Å; M20-L48 HydrophobicContact CE-CD1 3.49Å; M20-L48 VanDerWaalsContact CE-CD1 3.49Å; M20-L48 HydrophobicContact SD-CD1 4Å; F21-L48 HydrophobicContact CE2-CD1 4.15Å; F21-L48 HydrophobicContact CE2-CD2 4.4Å; T44-L48 PolarHBondContact O-N 3.2Å; I45-L48 PolarHBondContact O-N 3.26Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 3.47Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å; L48-R51 PolarHBondContact O-N 3.09Å; L48-I52 HydrophobicContact CD1-CD1 4.47Å; L48-I52 HydrophobicContact CD1-CG1 4.46Å; L48-I52 HydrophobicContact CG-CD1 4.17Å; L48-I52 VanDerWaalsContact O-CG1 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.41Å; L48-I52 PolarHBondContact O-N 3.22Å; L48-I52 VanDerWaalsContact O-N 3.08Å; L48-V67 HydrophobicContact CD2-CG1 3.52Å; L48-V67 HydrophobicContact CG-CG1 4.17Å; L48-V71 HydrophobicContact CD2-CG2 4.14Å; L48-V86 HydrophobicContact CD2-CG2 4.3Å
49L85.5Confident81.9Confident56 Ų5676.1 Ų76.129%0.29339%0.392SS..Hα-helixtrans-58.5-41.9175-78168.9000112.8I45 E46 E47 R51 M62 V67I45-L49 HydrophobicContact CG2-CD1 4.43Å; I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 3.07Å; E46-L49 WeakPolarHBondContact O-CB 3.37Å; E46-L49 PolarHBondContact O-N 3.2Å; E47-L49 VanDerWaalsContact C-N 3.35Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 3.21Å; L49-M62 HydrophobicContact CD2-CB 3.81Å; L49-V67 HydrophobicContact CD2-CG2 3.47Å; L49-V67 VanDerWaalsContact CD2-CG2 3.47Å; L49-V67 HydrophobicContact CG-CG2 4Å
50R87Confident82.8Confident183 Ų18368.9 Ų68.969%0.69136%0.358SS*.Hα-helixtrans-68.4-29.9179.2-68.6-178.5-147.9141.88.8113.4E46 E47 L48E46-R50 WeakPolarHBondContact O-CG 3.29Å; E46-R50 PolarHBondContact O-N 3.35Å; E46-R50 VanDerWaalsContact O-N 3.11Å; E46-R50 IonicContact OE2-NH2 3.34Å; E46-R50 PolarHBondContact OE2-NH2 3.23Å; E47-R50 PolarHBondContact O-N 3.36Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å
51R86.6Confident83.4Confident149 Ų14969.3 Ų69.356%0.56236%0.361SS*.Hα-helixtrans-89.2-19.5-177.4-74.3-175.9-179.1-143.31.1113.5M20 E47 L48 L49M20-R51 HydrophobicContact CE-CB 3.21Å; M20-R51 HydrophobicContact CE-CG 4.05Å; M20-R51 HydrophobicContact SD-CB 4.21Å; E47-R51 WeakPolarHBondContact O-CG 3.49Å; E47-R51 PolarHBondContact O-N 3.28Å; E47-R51 VanDerWaalsContact O-N 3.13Å; L48-R51 PolarHBondContact O-N 3.09Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 3.21Å
52I85.7Confident83.4Confident11 Ų1168 Ų686%0.05635%0.354CS..SBendtrans-64.9128.9175.8-73162.1000109.1L13 V17 L48 F56 M62L13-I52 HydrophobicContact CD1-CD1 4.37Å; L13-I52 HydrophobicContact CD1-CG1 4.49Å; L13-I52 HydrophobicContact CD1-CG2 3.81Å; V17-I52 HydrophobicContact CG2-CD1 4.17Å; V17-I52 HydrophobicContact CG2-CG1 4.29Å; L48-I52 HydrophobicContact CD1-CD1 4.47Å; L48-I52 HydrophobicContact CD1-CG1 4.46Å; L48-I52 HydrophobicContact CG-CD1 4.17Å; L48-I52 VanDerWaalsContact O-CG1 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.41Å; L48-I52 PolarHBondContact O-N 3.22Å; L48-I52 VanDerWaalsContact O-N 3.08Å; I52-F56 HydrophobicContact CG2-CB 4.24Å; I52-F56 HydrophobicContact CG2-CD2 3.88Å; I52-F56 HydrophobicContact CG2-CG 4.46Å; I52-M62 HydrophobicContact CG2-CE 4.11Å
53P84.7Confident83.4Confident42 Ų4269 Ų6927%0.27336%0.361SS..  trans-56.4136.4178.1-26.935000112.1Q16 I55 F56Q16-P53 HydrophobicContact CG-CG 4.34Å; P53-I55 HydrophobicContact CB-CG2 4.08Å; P53-I55 PolarHBondContact O-N 3.06Å; P53-F56 HydrophobicContact CB-CD2 4.42Å; P53-F56 HydrophobicContact CG-CE2 4.47Å; P53-F56 PolarHBondContact O-N 2.97Å; P53-F56 VanDerWaalsContact O-N 3.17Å
54P83.3Confident83.4Confident106 Ų10672.9 Ų72.969%0.68838%0.379SS*.G310 helixtrans-63.8-14.2-174.225.8-35.2000113.3F56 C57P54-F56 PolarHBondContact O-N 3.27Å; P54-C57 VanDerWaalsContact O-CB 3.31Å; P54-C57 WeakPolarHBondContact O-CB 3.46Å; P54-C57 PolarHBondContact O-N 3.43Å
55I84.2Confident83.3Confident119 Ų11977.8 Ų77.861%0.6140%0.399SS*.G310 helixtrans-55.2-33.1175-158.8167.4000112.1P53 T58P53-I55 HydrophobicContact CB-CG2 4.08Å; P53-I55 PolarHBondContact O-N 3.06Å; I55-T58 PolarHBondContact O-N 3.13Å; I55-T58 PolarHBondContact O-OG1 2.71Å
56F82Confident83.4Confident24 Ų2478.9 Ų78.911%0.10540%0.404CS..G310 helixtrans-76.7-24.2179.5-65.5-73.9000113.1A12 L13 Q16 I52 P53 P54 T58 V59 F60 M62A12-F56 HydrophobicContact CB-CE1 3.96Å; A12-F56 HydrophobicContact CB-CZ 4.22Å; L13-F56 HydrophobicContact CB-CD1 3.9Å; L13-F56 HydrophobicContact CB-CE1 3.83Å; L13-F56 HydrophobicContact CB-CG 4.44Å; L13-F56 HydrophobicContact CB-CZ 4.32Å; L13-F56 HydrophobicContact CD1-CB 4.11Å; L13-F56 HydrophobicContact CD1-CD1 4.1Å; L13-F56 HydrophobicContact CD1-CD2 3.83Å; L13-F56 HydrophobicContact CD1-CE1 4.47Å; L13-F56 HydrophobicContact CD1-CE2 4.22Å; L13-F56 HydrophobicContact CD1-CG 3.76Å; Q16-F56 HydrophobicContact CB-CE2 4.19Å; Q16-F56 HydrophobicContact CB-CZ 4.35Å; Q16-F56 HydrophobicContact CG-CE2 4.2Å; I52-F56 HydrophobicContact CG2-CB 4.24Å; I52-F56 HydrophobicContact CG2-CD2 3.88Å; I52-F56 HydrophobicContact CG2-CG 4.46Å; P53-F56 HydrophobicContact CB-CD2 4.42Å; P53-F56 HydrophobicContact CG-CE2 4.47Å; P53-F56 PolarHBondContact O-N 2.97Å; P53-F56 VanDerWaalsContact O-N 3.17Å; P54-F56 PolarHBondContact O-N 3.27Å; F56-T58 PolarHBondContact O-N 3.13Å; F56-V59 PolarHBondContact O-N 3Å; F56-F60 PolarHBondContact O-N 2.79Å; F56-M62 HydrophobicContact CB-CE 3.23Å; F56-M62 HydrophobicContact CG-CE 4.32Å
57C78.8Confident83.5Confident74 Ų7473.1 Ų73.150%0.538%0.377SS..G310 helixtrans-64.9-22.2175.8-58.70000112.2P54 V59 F60P54-C57 VanDerWaalsContact O-CB 3.31Å; P54-C57 WeakPolarHBondContact O-CB 3.46Å; P54-C57 PolarHBondContact O-N 3.43Å; C57-V59 VanDerWaalsContact C-N 3.28Å; C57-V59 PolarHBondContact O-N 2.84Å; C57-F60 WeakPolarHBondContact CA-O 3.16Å
58T81Confident83.6Confident114 Ų11473.7 Ų73.770%0.69938%0.376SS*.G310 helixtrans-72.3-22.8174.370.50000113I55 F56I55-T58 PolarHBondContact O-N 3.13Å; I55-T58 PolarHBondContact O-OG1 2.71Å; F56-T58 PolarHBondContact O-N 3.13Å
59V81.1Confident83.7Confident76 Ų7680.6 Ų80.646%0.46141%0.406SS..THydrogen-bonded Turntrans-106.5-32.8-175.7-175.70000111.9A9 F56 C57A9-V59 HydrophobicContact CB-CB 4.49Å; A9-V59 HydrophobicContact CB-CG1 3.75Å; F56-V59 PolarHBondContact O-N 3Å; C57-V59 VanDerWaalsContact C-N 3.28Å; C57-V59 PolarHBondContact O-N 2.84Å
60F81.5Confident83.9Confident9 Ų978 Ų784%0.03939%0.392CS..SBendtrans-127.2136.6-176.2-58.5-73.5000110.6R6 A9 F10 L13 F56 C57 M62 F66R6-F60 HydrophobicContact CG-CE1 3.66Å; R6-F60 HydrophobicContact CG-CZ 4.15Å; A9-F60 HydrophobicContact CB-CE2 3.62Å; A9-F60 HydrophobicContact CB-CZ 3.78Å; F10-F60 HydrophobicContact CB-CZ 3.94Å; L13-F60 HydrophobicContact CD2-CD2 4.38Å; F56-F60 PolarHBondContact O-N 2.79Å; C57-F60 WeakPolarHBondContact CA-O 3.16Å; F60-M62 HydrophobicContact CB-CE 4.15Å; F60-M62 HydrophobicContact CB-SD 4.27Å; F60-M62 HydrophobicContact CD2-CE 4.43Å; F60-M62 PolarHBondContact O-N 3.24Å; F60-M62 VanDerWaalsContact O-N 3.15Å; F60-F66 HydrophobicContact CB-CD1 4.43Å; F60-F66 HydrophobicContact CB-CE1 3.76Å; F60-F66 HydrophobicContact CB-CZ 3.98Å; F60-F66 HydrophobicContact CD1-CE1 4.08Å; F60-F66 HydrophobicContact CD1-CE2 4.06Å; F60-F66 AromaticContact CD1-CZ 3.42Å; F60-F66 HydrophobicContact CD1-CZ 3.42Å; F60-F66 VanDerWaalsContact CD1-CZ 3.42Å; F60-F66 HydrophobicContact CD2-CE1 4.41Å; F60-F66 HydrophobicContact CD2-CZ 4.37Å; F60-F66 AromaticContact CE1-CZ 3.93Å; F60-F66 HydrophobicContact CE1-CZ 3.93Å; F60-F66 AromaticContact CG-CE1 3.84Å; F60-F66 HydrophobicContact CG-CE1 3.84Å; F60-F66 AromaticContact CG-CZ 3.67Å; F60-F66 HydrophobicContact CG-CZ 3.67Å
61C77.9Confident84Confident96 Ų9669.4 Ų69.465%0.64936%0.36SS*.  trans-71.7105.6163.6-167.90000107.9N63C61-N63 PolarHBondContact O-N 3.09Å
62M77.2Confident84Confident32 Ų3266.3 Ų66.316%0.15837%0.366CS..  trans-80.286.2-176-68.2-62.5-171.100110.2L13 L49 I52 F56 F60 F66L13-M62 HydrophobicContact CD1-CE 3.83Å; L13-M62 HydrophobicContact CD2-CE 3.81Å; L13-M62 HydrophobicContact CD2-SD 4.36Å; L13-M62 HydrophobicContact CG-CE 4.48Å; L49-M62 HydrophobicContact CD2-CB 3.81Å; I52-M62 HydrophobicContact CG2-CE 4.11Å; F56-M62 HydrophobicContact CB-CE 3.23Å; F56-M62 HydrophobicContact CG-CE 4.32Å; F60-M62 HydrophobicContact CB-CE 4.15Å; F60-M62 HydrophobicContact CB-SD 4.27Å; F60-M62 HydrophobicContact CD2-CE 4.43Å; F60-M62 PolarHBondContact O-N 3.24Å; F60-M62 VanDerWaalsContact O-N 3.15Å; M62-F66 HydrophobicContact SD-CD1 3.79Å; M62-F66 HydrophobicContact SD-CE1 3.94Å
63N82.1Confident84.2Confident91 Ų9168.9 Ų68.949%0.48739%0.385SS..  trans-99.2158.1171.8-65.5-15.9000110.3C61 H65 F66 V67C61-N63 PolarHBondContact O-N 3.09Å; N63-H65 PolarHBondContact O-N 3.29Å; N63-F66 WeakPolarHBondContact O-CA 3.38Å; N63-F66 WeakPolarHBondContact O-CB 3.5Å; N63-F66 PolarHBondContact O-N 3.48Å; N63-V67 PolarHBondContact O-N 3.27Å
64E83.7Confident84.3Confident94 Ų9467.4 Ų67.444%0.43938%0.376SS..Hα-helixtrans-51.9-43.1174.5-164.1-172.614900111.8I45 F66 V67 R68I45-E64 HydrophobicContact CB-CG 4.27Å; I45-E64 HydrophobicContact CD1-CG 4.05Å; I45-E64 HydrophobicContact CG2-CB 4.43Å; I45-E64 HydrophobicContact CG2-CG 3.67Å; E64-F66 VanDerWaalsContact C-N 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å; E64-V67 PolarHBondContact O-N 2.99Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 2.99Å; E64-R68 IonicContact OE1-CZ 3.01Å; E64-R68 IonicContact OE1-NH1 2.73Å; E64-R68 PolarHBondContact OE1-NH1 2.99Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.75Å
65H85.6Confident84.4Confident147 Ų14771.4 Ų71.468%0.68138%0.382SS*.Hα-helixtrans-61.9-35.3174.4-67.3-62.4000113.8N63 K69N63-H65 PolarHBondContact O-N 3.29Å; H65-K69 WeakPolarHBondContact O-CB 3.39Å; H65-K69 PolarHBondContact O-N 3.48Å
66F87.1Confident84.4Confident33 Ų3367.6 Ų67.615%0.14536%0.363CS..Hα-helixtrans-70.5-43.1178.8-176.2-104.8000110.6F10 L13 F60 M62 N63 E64 K69 V70F10-F66 HydrophobicContact CD2-CZ 4.1Å; F10-F66 HydrophobicContact CE2-CE2 4.48Å; F10-F66 HydrophobicContact CE2-CZ 4.25Å; L13-F66 HydrophobicContact CD2-CE1 3.64Å; L13-F66 HydrophobicContact CD2-CZ 4.32Å; F60-F66 HydrophobicContact CB-CD1 4.43Å; F60-F66 HydrophobicContact CB-CE1 3.76Å; F60-F66 HydrophobicContact CB-CZ 3.98Å; F60-F66 HydrophobicContact CD1-CE1 4.08Å; F60-F66 HydrophobicContact CD1-CE2 4.06Å; F60-F66 AromaticContact CD1-CZ 3.42Å; F60-F66 HydrophobicContact CD1-CZ 3.42Å; F60-F66 VanDerWaalsContact CD1-CZ 3.42Å; F60-F66 HydrophobicContact CD2-CE1 4.41Å; F60-F66 HydrophobicContact CD2-CZ 4.37Å; F60-F66 AromaticContact CE1-CZ 3.93Å; F60-F66 HydrophobicContact CE1-CZ 3.93Å; F60-F66 AromaticContact CG-CE1 3.84Å; F60-F66 HydrophobicContact CG-CE1 3.84Å; F60-F66 AromaticContact CG-CZ 3.67Å; F60-F66 HydrophobicContact CG-CZ 3.67Å; M62-F66 HydrophobicContact SD-CD1 3.79Å; M62-F66 HydrophobicContact SD-CE1 3.94Å; N63-F66 WeakPolarHBondContact O-CA 3.38Å; N63-F66 WeakPolarHBondContact O-CB 3.5Å; N63-F66 PolarHBondContact O-N 3.48Å; E64-F66 VanDerWaalsContact C-N 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 2.99Å; F66-V70 HydrophobicContact CD1-CG2 4.11Å; F66-V70 HydrophobicContact CE1-CG2 3.79Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 VanDerWaalsContact O-CG2 3.32Å; F66-V70 WeakPolarHBondContact O-CG2 3.39Å; F66-V70 PolarHBondContact O-N 3.24Å
67V86.4Confident84.7Confident3 Ų367 Ų672%0.01836%0.361CS..Hα-helixtrans-63.2-43.8175.5178.30000111I45 L48 L49 N63 E64 K69 V70 V71I45-V67 HydrophobicContact CG2-CB 4.02Å; I45-V67 HydrophobicContact CG2-CG1 3.97Å; L48-V67 HydrophobicContact CD2-CG1 3.52Å; L48-V67 HydrophobicContact CG-CG1 4.17Å; L49-V67 HydrophobicContact CD2-CG2 3.47Å; L49-V67 VanDerWaalsContact CD2-CG2 3.47Å; L49-V67 HydrophobicContact CG-CG2 4Å; N63-V67 PolarHBondContact O-N 3.27Å; E64-V67 PolarHBondContact O-N 2.99Å; V67-K69 VanDerWaalsContact C-N 3.27Å; V67-K69 PolarHBondContact O-N 3.39Å; V67-V70 WeakPolarHBondContact O-CB 3.37Å; V67-V70 PolarHBondContact O-N 3.4Å; V67-V70 VanDerWaalsContact O-N 3.07Å; V67-V71 HydrophobicContact CG1-CG2 4.25Å; V67-V71 WeakPolarHBondContact O-CG2 3.3Å; V67-V71 PolarHBondContact O-N 3.19Å
68R88.3Confident85Confident88 Ų8866.3 Ų66.333%0.33235%0.351SS..Hα-helixtrans-55.4-43172.7-74-167.1175.3104.24.1112.1I45 E64 V71 A72 I79I45-R68 HydrophobicContact CD1-CG 3.7Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 2.99Å; E64-R68 IonicContact OE1-CZ 3.01Å; E64-R68 IonicContact OE1-NH1 2.73Å; E64-R68 PolarHBondContact OE1-NH1 2.99Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.75Å; R68-V71 PolarHBondContact O-N 3.43Å; R68-A72 VanDerWaalsContact O-CB 3.24Å; R68-A72 WeakPolarHBondContact O-CB 3.34Å; R68-A72 PolarHBondContact O-N 2.84Å; R68-I79 HydrophobicContact CB-CD1 4.2Å; R68-I79 HydrophobicContact CG-CD1 4Å
69K87.9Confident85.4Confident145 Ų14563.3 Ų63.363%0.6333%0.33SS*.Hα-helixtrans-65.8-37.2176.3-174.2173.7-177.2168.30112.9H65 F66 V67 S73H65-K69 WeakPolarHBondContact O-CB 3.39Å; H65-K69 PolarHBondContact O-N 3.48Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 2.99Å; V67-K69 VanDerWaalsContact C-N 3.27Å; V67-K69 PolarHBondContact O-N 3.39Å; K69-S73 WeakPolarHBondContact O-CB 3.15Å; K69-S73 PolarHBondContact O-N 2.96Å; K69-S73 VanDerWaalsContact O-N 3.09Å
70V88.9Confident85.5Confident3 Ų361 Ų612%0.01832%0.316CS..Hα-helixtrans-65.6-48.1175.61720000110.3F10 L13 L14 V17 F66 V67 S73 S74F10-V70 HydrophobicContact CD2-CG2 4.43Å; F10-V70 HydrophobicContact CE2-CG2 3.66Å; F10-V70 HydrophobicContact CZ-CG2 4.2Å; L13-V70 HydrophobicContact CD2-CG1 4.49Å; L13-V70 HydrophobicContact CD2-CG2 3.9Å; L13-V70 HydrophobicContact CG-CG1 4.5Å; L14-V70 HydrophobicContact CD1-CG1 3.93Å; L14-V70 WeakPolarHBondContact CD1-O 3.43Å; V17-V70 HydrophobicContact CG2-CG1 4.46Å; F66-V70 HydrophobicContact CD1-CG2 4.11Å; F66-V70 HydrophobicContact CE1-CG2 3.79Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 VanDerWaalsContact O-CG2 3.32Å; F66-V70 WeakPolarHBondContact O-CG2 3.39Å; F66-V70 PolarHBondContact O-N 3.24Å; V67-V70 WeakPolarHBondContact O-CB 3.37Å; V67-V70 PolarHBondContact O-N 3.4Å; V67-V70 VanDerWaalsContact O-N 3.07Å; V70-S73 WeakPolarHBondContact O-CB 3.33Å; V70-S73 PolarHBondContact O-N 2.99Å; V70-S73 VanDerWaalsContact O-N 3.09Å; V70-S74 PolarHBondContact O-N 3.39Å
71V89.1Confident85.3Confident1 Ų169.6 Ų69.61%0.00636%0.356CS..Hα-helixtrans-62.6-44.7178.5175.50000110.7L48 V67 R68 S73 S74 L77 I79 V86L48-V71 HydrophobicContact CD2-CG2 4.14Å; V67-V71 HydrophobicContact CG1-CG2 4.25Å; V67-V71 WeakPolarHBondContact O-CG2 3.3Å; V67-V71 PolarHBondContact O-N 3.19Å; R68-V71 PolarHBondContact O-N 3.43Å; V71-S73 PolarHBondContact O-N 3.24Å; V71-S74 WeakPolarHBondContact O-CB 3.34Å; V71-S74 PolarHBondContact O-N 2.92Å; V71-S74 PolarHBondContact O-OG 3.28Å; V71-L77 HydrophobicContact CG1-CB 3.92Å; V71-I79 HydrophobicContact CB-CD1 4.33Å; V71-I79 HydrophobicContact CB-CG1 4.35Å; V71-I79 HydrophobicContact CG1-CD1 4.12Å; V71-I79 HydrophobicContact CG1-CG1 3.62Å; V71-V86 HydrophobicContact CG1-CG1 3.73Å; V71-V86 HydrophobicContact CG1-CG2 4.37Å; V71-V86 HydrophobicContact CG2-CG1 4.06Å; V71-V86 HydrophobicContact CG2-CG2 4.13Å
72A88.3Confident85.3Confident84 Ų8472.1 Ų72.169%0.69436%0.362SS*.Hα-helixtrans-64.2-21.1175.400000113.7R68R68-A72 VanDerWaalsContact O-CB 3.24Å; R68-A72 WeakPolarHBondContact O-CB 3.34Å; R68-A72 PolarHBondContact O-N 2.84Å
73S89.8Confident85.2Confident65 Ų6575.1 Ų75.146%0.45538%0.378SS..Hα-helixtrans-83-14.8173.5-174.60000112.9K69 V70 V71K69-S73 WeakPolarHBondContact O-CB 3.15Å; K69-S73 PolarHBondContact O-N 2.96Å; K69-S73 VanDerWaalsContact O-N 3.09Å; V70-S73 WeakPolarHBondContact O-CB 3.33Å; V70-S73 PolarHBondContact O-N 2.99Å; V70-S73 VanDerWaalsContact O-N 3.09Å; V71-S73 PolarHBondContact O-N 3.24Å
74S87.1Confident85.1Confident12 Ų1272.3 Ų72.38%0.08437%0.371CS..  trans-79.8146.5176.879.80000110.1V70 V71 L77V70-S74 PolarHBondContact O-N 3.39Å; V71-S74 WeakPolarHBondContact O-CB 3.34Å; V71-S74 PolarHBondContact O-N 2.92Å; V71-S74 PolarHBondContact O-OG 3.28Å; S74-L77 WeakPolarHBondContact OG-CB 3.28Å; S74-L77 WeakPolarHBondContact OG-CG 3.44Å; S74-L77 PolarHBondContact OG-N 2.97Å; S74-L77 VanDerWaalsContact OG-N 3.13Å
75K85.1Confident85.2Confident189 Ų18973 Ų7382%0.82237%0.37SS*.SBendtrans-85.3-20.5172.3-61.7179.9-178.3-179.70111.9
76N84.2Confident85.3Confident39 Ų3966 Ų6621%0.20934%0.337CS..SBendtrans-100.5-13.4-168-63.5-45.8000113.7E18 R88 S89 A92E18-N76 PolarHBondContact OE1-ND2 3.14Å; N76-R88 CarbonylContact O-C 3.59Å; N76-R88 WeakPolarHBondContact O-CA 3.3Å; N76-R88 VanDerWaalsContact O-CG 3.28Å; N76-R88 WeakPolarHBondContact O-CG 3.34Å; N76-S89 PolarHBondContact O-N 3.18Å; N76-A92 HydrophobicContact CB-CB 4.1Å
77L87.2Confident85.2Confident12 Ų1267.8 Ų67.86%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-116.9149.2-178.1-47.3171.5000110.4V17 E18 F21 V71 S74 V86 R87V17-L77 HydrophobicContact CG1-CD1 3.66Å; E18-L77 HydrophobicContact CG-CD1 4.27Å; E18-L77 HydrophobicContact CG-CG 4.48Å; F21-L77 HydrophobicContact CB-CD2 3.65Å; F21-L77 HydrophobicContact CD1-CD2 4.32Å; F21-L77 HydrophobicContact CD2-CD1 3.81Å; F21-L77 HydrophobicContact CD2-CD2 3.51Å; F21-L77 HydrophobicContact CD2-CG 4.32Å; F21-L77 HydrophobicContact CE2-CD1 4.04Å; F21-L77 HydrophobicContact CE2-CD2 4.28Å; F21-L77 HydrophobicContact CG-CD2 3.56Å; V71-L77 HydrophobicContact CG1-CB 3.92Å; S74-L77 WeakPolarHBondContact OG-CB 3.28Å; S74-L77 WeakPolarHBondContact OG-CG 3.44Å; S74-L77 PolarHBondContact OG-N 2.97Å; S74-L77 VanDerWaalsContact OG-N 3.13Å; L77-V86 HydrophobicContact CB-CG1 4.22Å; L77-V86 HydrophobicContact CD1-CG1 4.46Å; L77-R87 WeakPolarHBondContact CA-O 3.16Å
78M86.1Confident85.1Confident59 Ų5969.9 Ų69.929%0.29135%0.351SS..EExtended strand (participates in β ladder)trans-133.1152.517366.4-177.4-60.600109.6R87M78-R87 HydrophobicContact CG-CG 3.77Å; M78-R87 PolarHBondContact N-O 3.12Å; M78-R87 PolarHBondContact O-N 3.32Å; M78-R87 VanDerWaalsContact O-O 3.07Å; M78-R87 HydrophobicContact SD-CG 4.46Å; M78-R87 PolarHBondContact SD-NH2 3.22Å
79I87.9Confident84.8Confident51 Ų5166.7 Ų66.726%0.26234%0.342SS..EExtended strand (participates in β ladder)trans-97.5123.7171.8-54.8175.8000106.3R68 V71 E81 V86R68-I79 HydrophobicContact CB-CD1 4.2Å; R68-I79 HydrophobicContact CG-CD1 4Å; V71-I79 HydrophobicContact CB-CD1 4.33Å; V71-I79 HydrophobicContact CB-CG1 4.35Å; V71-I79 HydrophobicContact CG1-CD1 4.12Å; V71-I79 HydrophobicContact CG1-CG1 3.62Å; I79-E81 PolarHBondContact O-N 3.14Å; I79-V86 HydrophobicContact CG1-CG2 4.39Å
80D84.3Confident84.4Confident28 Ų2864.7 Ų64.715%0.1535%0.346CS..  trans-74.3118.6172.7-170.919000109.3I82 N83 G84 R85D80-I82 PolarHBondContact O-N 2.82Å; D80-N83 PolarHBondContact OD2-ND2 3.04Å; D80-G84 WeakPolarHBondContact O-CA 3.4Å; D80-G84 PolarHBondContact O-N 3.48Å; D80-R85 PolarHBondContact N-O 3.14Å
81E77.9Confident84Confident189 Ų18970.2 Ų70.288%0.88338%0.38SS*.THydrogen-bonded Turntrans-66.4-28-174.6-63.9-17617000112.1I79I79-E81 PolarHBondContact O-N 3.14Å
82I76.9Confident83.4Confident150 Ų15070.8 Ų70.877%0.76939%0.385SS*.THydrogen-bonded Turntrans-78.7-45.3-175.9-56.9173.2000110.9D80D80-I82 PolarHBondContact O-N 2.82Å
83N75.2Confident82.6Confident94 Ų9468.4 Ų68.450%0.50336%0.362SS..THydrogen-bonded Turntrans-101.8-9.2-171.9-64.3-60.8000113.6D80 R85D80-N83 PolarHBondContact OD2-ND2 3.04Å; N83-R85 HydrophobicContact CB-CB 4.29Å; N83-R85 HydrophobicContact CB-CG 3.95Å; N83-R85 PolarHBondContact O-N 3.32Å
84G79.8Confident81.7Confident33 Ų3367 Ų6734%0.3435%0.352SS..  trans62.820.9-172.900000113.3D80D80-G84 WeakPolarHBondContact O-CA 3.4Å; D80-G84 PolarHBondContact O-N 3.48Å
85R85.6Confident80.8Confident108 Ų10867.1 Ų67.141%0.40835%0.353SS..EExtended strand (participates in β ladder)trans-97.8141.1-177-68.8-179.1-179.9-166.8-1.7110.7E42 F43 T44 D80 N83E42-R85 IonicContact OE2-NH1 3.24Å; E42-R85 PolarHBondContact OE2-NH1 3.37Å; F43-R85 WeakPolarHBondContact O-CA 3.36Å; T44-R85 HydrophobicContact CG2-CG 4.3Å; D80-R85 PolarHBondContact N-O 3.14Å; N83-R85 HydrophobicContact CB-CB 4.29Å; N83-R85 HydrophobicContact CB-CG 3.95Å; N83-R85 PolarHBondContact O-N 3.32Å
86V87.4Confident79.9Confident0 Ų059.3 Ų59.30%032%0.318CS..EExtended strand (participates in β ladder)trans-85131170.1-175.40000107.6F21 E42 F43 I45 L48 V71 L77 I79F21-V86 HydrophobicContact CE1-CB 4.08Å; F21-V86 HydrophobicContact CE1-CG1 3.91Å; F21-V86 WeakPolarHBondContact CE1-O 3.34Å; F21-V86 HydrophobicContact CE2-CB 4.43Å; F21-V86 HydrophobicContact CE2-CG1 3.76Å; F21-V86 HydrophobicContact CZ-CB 3.59Å; F21-V86 HydrophobicContact CZ-CG1 3.33Å; E42-V86 WeakPolarHBondContact CA-O 3.41Å; F43-V86 PolarHBondContact N-O 3.42Å; F43-V86 VanDerWaalsContact N-O 3.1Å; F43-V86 PolarHBondContact O-N 3.27Å; I45-V86 HydrophobicContact CG1-CG2 4.37Å; L48-V86 HydrophobicContact CD2-CG2 4.3Å; V71-V86 HydrophobicContact CG1-CG1 3.73Å; V71-V86 HydrophobicContact CG1-CG2 4.37Å; V71-V86 HydrophobicContact CG2-CG1 4.06Å; V71-V86 HydrophobicContact CG2-CG2 4.13Å; L77-V86 HydrophobicContact CB-CG1 4.22Å; L77-V86 HydrophobicContact CD1-CG1 4.46Å; I79-V86 HydrophobicContact CG1-CG2 4.39Å
87R85.9Confident79.3Confident71 Ų7159.7 Ų59.727%0.26832%0.32SS..EExtended strand (participates in β ladder)trans-138.2167173.665.7-178.5177.895.8-6.2110.3E42 L77 M78E42-R87 HydrophobicContact CG-CB 4.15Å; L77-R87 WeakPolarHBondContact CA-O 3.16Å; M78-R87 HydrophobicContact CG-CG 3.77Å; M78-R87 PolarHBondContact N-O 3.12Å; M78-R87 PolarHBondContact O-N 3.32Å; M78-R87 VanDerWaalsContact O-O 3.07Å; M78-R87 HydrophobicContact SD-CG 4.46Å; M78-R87 PolarHBondContact SD-NH2 3.22Å
88R83.6Confident79Confident47 Ų4759.1 Ų59.118%0.17732%0.318CS..EExtended strand (participates in β ladder)trans-67.2137.1171.2-159.3178.8-179.7125.2-2.4109.4N76 A92 P93N76-R88 CarbonylContact O-C 3.59Å; N76-R88 WeakPolarHBondContact O-CA 3.3Å; N76-R88 VanDerWaalsContact O-CG 3.28Å; N76-R88 WeakPolarHBondContact O-CG 3.34Å; R88-A92 HydrophobicContact CG-CB 3.94Å; R88-P93 PolarHBondContact NE-O 3.26Å; R88-P93 PolarHBondContact NH2-O 2.76Å
89S83.3Confident78.6Confident21 Ų2156.4 Ų56.415%0.14730%0.304CS..  trans-61.1143.5175.4-177.90000110.1N76 T91 A92N76-S89 PolarHBondContact O-N 3.18Å; S89-T91 PolarHBondContact O-N 3.37Å; S89-T91 PolarHBondContact OG-N 2.9Å; S89-T91 PolarHBondContact OG-OG1 3.39Å; S89-A92 WeakPolarHBondContact O-CB 3.38Å; S89-A92 PolarHBondContact O-N 3.47Å; S89-A92 VanDerWaalsContact O-N 3.14Å
90S78.3Confident78.2Confident103 Ų10354 Ų5472%0.7229%0.292SS*.THydrogen-bonded Turntrans-64.9-23.7173.451.30000112.9
91T80.4Confident78Confident119 Ų11954.6 Ų54.673%0.7329%0.293SS*.THydrogen-bonded Turntrans-84.4-12.4175.855.70000113.3S89S89-T91 PolarHBondContact O-N 3.37Å; S89-T91 PolarHBondContact OG-N 2.9Å; S89-T91 PolarHBondContact OG-OG1 3.39Å
92A76.6Confident78Confident13 Ų1345.7 Ų45.711%0.10725%0.252CS..SBendtrans-73.4144.6177.100000109.5N76 R88 S89 S94N76-A92 HydrophobicContact CB-CB 4.1Å; R88-A92 HydrophobicContact CG-CB 3.94Å; S89-A92 WeakPolarHBondContact O-CB 3.38Å; S89-A92 PolarHBondContact O-N 3.47Å; S89-A92 VanDerWaalsContact O-N 3.14Å; A92-S94 PolarHBondContact O-N 2.74Å
93P72Confident77.8Confident33 Ų3340.5 Ų40.521%0.21423%0.225CC..PPolyproline II helixtrans-56.9140.8175.725.7-34.1000109.2R88 D97 I152R88-P93 PolarHBondContact NE-O 3.26Å; R88-P93 PolarHBondContact NH2-O 2.76Å; P93-D97 HydrophobicContact CB-CB 4.33Å; P93-I152 HydrophobicContact CB-CB 4.39Å; P93-I152 HydrophobicContact CB-CD1 4.38Å
94S70.7Confident77.6Confident35 Ų3537 Ų3725%0.24521%0.209CC..PPolyproline II helixtrans-65.8159.217973.80000109.9A92 W96 D97 C98A92-S94 PolarHBondContact O-N 2.74Å; S94-W96 PolarHBondContact O-N 3.05Å; S94-W96 VanDerWaalsContact O-N 3.11Å; S94-W96 PolarHBondContact OG-N 3.39Å; S94-D97 VanDerWaalsContact CB-OD2 3.32Å; S94-D97 WeakPolarHBondContact CB-OD2 3.36Å; S94-D97 PolarHBondContact N-OD2 3.41Å; S94-D97 VanDerWaalsContact N-OD2 3.16Å; S94-D97 PolarHBondContact O-N 3.17Å; S94-D97 PolarHBondContact OG-N 2.98Å; S94-D97 VanDerWaalsContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-OD2 3.26Å; S94-C98 PolarHBondContact O-N 3.38Å
95C68.4Low77.3Confident16 Ų1635.8 Ų35.811%0.10819%0.194CC..THydrogen-bonded Turntrans-59.4-23174.967.20000112.6S99 Q148C95-S99 PolarHBondContact O-OG 3.11Å; C95-Q148 PolarHBondContact O-NE2 2.88Å
96W65.8Low76.6Confident25 Ų2532 Ų3210%0.09518%0.184CC..THydrogen-bonded Turntrans-77.7-42.4176.1-63.8-31.1000112.8I38 S94 C98 S99 A216 L219I38-W96 HydrophobicContact CD1-CH2 4.48Å; I38-W96 HydrophobicContact CD1-CZ2 3.38Å; I38-W96 HydrophobicContact CG1-CZ2 3.98Å; S94-W96 PolarHBondContact O-N 3.05Å; S94-W96 VanDerWaalsContact O-N 3.11Å; S94-W96 PolarHBondContact OG-N 3.39Å; W96-C98 PolarHBondContact O-N 2.87Å; W96-S99 WeakPolarHBondContact O-CA 3.32Å; W96-S99 WeakPolarHBondContact O-CB 3.38Å; W96-S99 PolarHBondContact O-N 3.24Å; W96-A216 HydrophobicContact CB-CB 4.28Å; W96-A216 HydrophobicContact CD2-CB 3.75Å; W96-A216 HydrophobicContact CE3-CB 3.2Å; W96-A216 HydrophobicContact CG-CB 4.24Å; W96-A216 HydrophobicContact CZ3-CB 3.72Å; W96-L219 HydrophobicContact CH2-CB 3.48Å; W96-L219 VanDerWaalsContact CH2-CB 3.48Å; W96-L219 HydrophobicContact CH2-CD1 3.71Å; W96-L219 HydrophobicContact CH2-CG 4.16Å; W96-L219 HydrophobicContact CZ2-CB 4.36Å; W96-L219 HydrophobicContact CZ2-CD1 3.76Å; W96-L219 HydrophobicContact CZ3-CB 3.71Å; W96-L219 HydrophobicContact CZ3-CD1 4.2Å
97D72.3Confident75.8Confident46 Ų4637.7 Ų37.725%0.24621%0.21CC..THydrogen-bonded Turntrans-62.5-31.9178-67.2-55.1000112.4P93 S94 S99 I152 V155 R213P93-D97 HydrophobicContact CB-CB 4.33Å; S94-D97 VanDerWaalsContact CB-OD2 3.32Å; S94-D97 WeakPolarHBondContact CB-OD2 3.36Å; S94-D97 PolarHBondContact N-OD2 3.41Å; S94-D97 VanDerWaalsContact N-OD2 3.16Å; S94-D97 PolarHBondContact O-N 3.17Å; S94-D97 PolarHBondContact OG-N 2.98Å; S94-D97 VanDerWaalsContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-OD2 3.26Å; D97-S99 VanDerWaalsContact C-N 3.28Å; D97-I152 HydrophobicContact CB-CD1 3.9Å; D97-I152 HydrophobicContact CB-CG1 4.45Å; D97-V155 WeakPolarHBondContact O-CG2 3.18Å; D97-R213 IonicContact OD1-NH2 2.68Å
98C80.1Confident75.1Confident1 Ų140.6 Ų40.61%0.00723%0.231CC..THydrogen-bonded Turntrans-86.46.6174.3-62.90000113.2S94 W96 Q148 F149 V155S94-C98 PolarHBondContact O-N 3.38Å; W96-C98 PolarHBondContact O-N 2.87Å; C98-Q148 CarbonylContact O-C 3.56Å; C98-Q148 WeakPolarHBondContact O-CA 3.14Å; C98-F149 WeakPolarHBondContact CB-O 2.98Å; C98-F149 PolarHBondContact O-N 2.86Å; C98-V155 VanDerWaalsContact C-CG2 3.43Å; C98-V155 WeakPolarHBondContact O-CG2 3.46Å
99S78.7Confident74.5Confident2 Ų239.2 Ų39.21%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-110.2144.3-179.7-65.10000112.3C95 W96 D97 V147 W214C95-S99 PolarHBondContact O-OG 3.11Å; W96-S99 WeakPolarHBondContact O-CA 3.32Å; W96-S99 WeakPolarHBondContact O-CB 3.38Å; W96-S99 PolarHBondContact O-N 3.24Å; D97-S99 VanDerWaalsContact C-N 3.28Å; S99-V147 CarbonylContact C-O 3.51Å; S99-V147 WeakPolarHBondContact CA-O 3.32Å; S99-W214 VanDerWaalsContact O-CB 3.31Å; S99-W214 WeakPolarHBondContact O-CB 3.49Å; S99-W214 PolarHBondContact O-N 2.65Å
100V79.5Confident74.4Confident0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-125.7137.6-177.21710000109V102 F146 V147 F149 V155 V211 Y212V100-V102 HydrophobicContact CG1-CG2 4.33Å; V100-F146 WeakPolarHBondContact O-CA 3.3Å; V100-V147 PolarHBondContact N-O 3.38Å; V100-V147 PolarHBondContact O-N 2.89Å; V100-F149 HydrophobicContact CB-CE2 4.08Å; V100-F149 HydrophobicContact CG2-CD2 4.05Å; V100-F149 HydrophobicContact CG2-CE2 3.73Å; V100-V155 HydrophobicContact CG2-CB 4.09Å; V100-V155 HydrophobicContact CG2-CG1 3.62Å; V100-V155 HydrophobicContact CG2-CG2 3.86Å; V100-V211 HydrophobicContact CB-CG1 4.48Å; V100-V211 HydrophobicContact CG1-CB 4.45Å; V100-V211 HydrophobicContact CG1-CG1 2.98Å; V100-Y212 WeakPolarHBondContact CA-O 3.35Å
101F78.7Confident74.6Confident41 Ų4140.5 Ų40.518%0.1822%0.22CC..EExtended strand (participates in β ladder)trans-103.6120.5174.6173.9-107.7000109.7D103 F144 F146 V211 Y212 W214F101-D103 HydrophobicContact CE1-CB 3.8Å; F101-D103 HydrophobicContact CZ-CB 4.2Å; F101-F144 HydrophobicContact CD2-CD2 4.37Å; F101-F144 HydrophobicContact CE2-CB 3.61Å; F101-F144 AromaticContact CE2-CD2 3.49Å; F101-F144 HydrophobicContact CE2-CD2 3.49Å; F101-F144 VanDerWaalsContact CE2-CD2 3.49Å; F101-F144 HydrophobicContact CE2-CE2 4.2Å; F101-F144 AromaticContact CE2-CG 3.67Å; F101-F144 HydrophobicContact CE2-CG 3.67Å; F101-F144 HydrophobicContact CZ-CB 3.73Å; F101-F144 HydrophobicContact CZ-CD2 4.27Å; F101-F144 HydrophobicContact CZ-CG 4Å; F101-F146 HydrophobicContact CB-CD1 4.41Å; F101-F146 HydrophobicContact CB-CE1 4.32Å; F101-F146 AromaticContact CD2-CD1 3.94Å; F101-F146 HydrophobicContact CD2-CD1 3.94Å; F101-F146 AromaticContact CD2-CE1 3.39Å; F101-F146 HydrophobicContact CD2-CE1 3.39Å; F101-F146 AromaticContact CD2-CZ 3.82Å; F101-F146 HydrophobicContact CD2-CZ 3.82Å; F101-F146 HydrophobicContact CE2-CE1 4.11Å; F101-F146 HydrophobicContact CE2-CZ 4.06Å; F101-F146 HydrophobicContact CG-CE1 4.27Å; F101-V211 CarbonylContact O-C 3.51Å; F101-V211 WeakPolarHBondContact O-CA 3.11Å; F101-Y212 AromaticContact CD1-CD2 3.67Å; F101-Y212 HydrophobicContact CD1-CD2 3.67Å; F101-Y212 HydrophobicContact CD1-CE2 4.41Å; F101-Y212 HydrophobicContact CD1-CG 4.38Å; F101-Y212 HydrophobicContact CE1-CD2 4.2Å; F101-Y212 PolarHBondContact N-O 3.44Å; F101-Y212 PolarHBondContact O-N 3.31Å; F101-W214 HydrophobicContact CB-CE3 3.9Å; F101-W214 HydrophobicContact CB-CZ3 4.39Å; F101-W214 HydrophobicContact CD2-CZ3 4.36Å; F101-W214 HydrophobicContact CG-CE3 4.43Å; F101-W214 HydrophobicContact CG-CZ3 4.45Å
102V77.9Confident74.8Confident1 Ų139.4 Ų39.41%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-105.8122.6179.4-177.80000107.2V100 L105 F118 F144 A145 V147 V211V100-V102 HydrophobicContact CG1-CG2 4.33Å; V102-L105 HydrophobicContact CB-CD1 4.45Å; V102-L105 HydrophobicContact CG1-CD1 4.02Å; V102-L105 HydrophobicContact CG1-CD2 3.59Å; V102-L105 HydrophobicContact CG1-CG 3.77Å; V102-F118 HydrophobicContact CG1-CZ 4.49Å; V102-F118 HydrophobicContact CG2-CE1 4.37Å; V102-F118 HydrophobicContact CG2-CE2 3.7Å; V102-F118 HydrophobicContact CG2-CZ 3.38Å; V102-F144 CarbonylContact O-C 3.52Å; V102-F144 WeakPolarHBondContact O-CA 3.19Å; V102-F144 WeakPolarHBondContact O-CB 3.48Å; V102-A145 HydrophobicContact CB-CB 4.47Å; V102-A145 PolarHBondContact N-O 2.81Å; V102-A145 PolarHBondContact O-N 2.73Å; V102-V147 HydrophobicContact CG2-CG2 4.05Å; V102-V211 HydrophobicContact CB-CG1 4.47Å; V102-V211 HydrophobicContact CG1-CG2 4.09Å; V102-V211 HydrophobicContact CG2-CG1 3.73Å; V102-V211 HydrophobicContact CG2-CG2 4.26Å
103D72.8Confident75Confident41 Ų4143.7 Ų43.722%0.21922%0.223CC..EExtended strand (participates in β ladder)trans-111.6167.4174.6-162.714.5000111.1F101 L105 R143 L210 Y212F101-D103 HydrophobicContact CE1-CB 3.8Å; F101-D103 HydrophobicContact CZ-CB 4.2Å; D103-L105 PolarHBondContact O-N 3.34Å; D103-R143 CarbonylContact C-O 3.54Å; D103-L210 PolarHBondContact N-O 3.18Å; D103-L210 PolarHBondContact O-N 2.7Å; D103-Y212 HydrophobicContact CB-CE2 4.07Å
104S71.6Confident75.6Confident22 Ų2242.6 Ų42.615%0.15422%0.216CC..SBendtrans65.822.7179.3-56.90000116.8R143 E208S104-R143 CarbonylContact C-O 3.3Å; S104-R143 WeakPolarHBondContact CA-O 3.13Å; S104-R143 PolarHBondContact N-O 3.43Å; S104-R143 PolarHBondContact O-NH2 3.23Å; S104-E208 VanDerWaalsContact CB-O 3.27Å; S104-E208 WeakPolarHBondContact CB-O 3.33Å
105L74.7Confident76.3Confident7 Ų744.5 Ų44.54%0.03722%0.217CC..  trans-61.4147.9176-66.8174.8000113.1V102 D103 T109 L114 L129 R143 A145V102-L105 HydrophobicContact CB-CD1 4.45Å; V102-L105 HydrophobicContact CG1-CD1 4.02Å; V102-L105 HydrophobicContact CG1-CD2 3.59Å; V102-L105 HydrophobicContact CG1-CG 3.77Å; D103-L105 PolarHBondContact O-N 3.34Å; L105-T109 HydrophobicContact CD1-CG2 4.43Å; L105-T109 HydrophobicContact CD2-CG2 4.41Å; L105-L114 HydrophobicContact CD1-CD1 3.91Å; L105-L114 HydrophobicContact CD1-CD2 3.93Å; L105-L114 HydrophobicContact CD2-CD2 3.74Å; L105-L129 HydrophobicContact CD1-CD1 4.12Å; L105-R143 PolarHBondContact N-O 2.58Å; L105-R143 VanDerWaalsContact O-CB 3.26Å; L105-R143 WeakPolarHBondContact O-CB 3.36Å; L105-R143 VanDerWaalsContact O-CG 3.29Å; L105-R143 WeakPolarHBondContact O-CG 3.47Å; L105-R143 PolarHBondContact O-NE 3.04Å; L105-A145 HydrophobicContact CD1-CB 3.44Å; L105-A145 VanDerWaalsContact CD1-CB 3.44Å
106P70.7Confident77.1Confident29 Ų2949.4 Ų49.419%0.18824%0.242CC..  trans-64.3152168.94.6-1.8000111.7D108 T109 L206P106-D108 PolarHBondContact O-N 3.1Å; P106-T109 WeakPolarHBondContact CD-OG1 3.4Å; P106-T109 WeakPolarHBondContact CG-OG1 3.38Å; P106-T109 WeakPolarHBondContact O-CB 3.44Å; P106-T109 PolarHBondContact O-N 3.41Å; P106-T109 PolarHBondContact O-OG1 3.16Å; P106-T109 VanDerWaalsContact O-OG1 3.13Å; P106-L206 HydrophobicContact CG-CD2 3.9Å
107E68.8Low77.9Confident119 Ų11951.2 Ų51.256%0.55625%0.25SC*.THydrogen-bonded Turntrans-63.4-28.6179.7-62.4-174.2173.400112.3T109E107-T109 VanDerWaalsContact C-N 3.27Å; E107-T109 PolarHBondContact O-N 3.26Å
108D71.7Confident78.5Confident132 Ų13249.1 Ų49.171%0.70624%0.239SC*.THydrogen-bonded Turntrans-87.113.3179.8-54.4-41.3000113.9P106 R113P106-D108 PolarHBondContact O-N 3.1Å; D108-R113 PolarHBondContact O-NH1 3.45Å
109T72.2Confident78.8Confident17 Ų1751.9 Ų51.910%0.10426%0.258CS..  trans-80.4123.8180-63.50000110.9L105 P106 E107 L114 L129L105-T109 HydrophobicContact CD1-CG2 4.43Å; L105-T109 HydrophobicContact CD2-CG2 4.41Å; P106-T109 WeakPolarHBondContact CD-OG1 3.4Å; P106-T109 WeakPolarHBondContact CG-OG1 3.38Å; P106-T109 WeakPolarHBondContact O-CB 3.44Å; P106-T109 PolarHBondContact O-N 3.41Å; P106-T109 PolarHBondContact O-OG1 3.16Å; P106-T109 VanDerWaalsContact O-OG1 3.13Å; E107-T109 VanDerWaalsContact C-N 3.27Å; E107-T109 PolarHBondContact O-N 3.26Å; T109-L114 HydrophobicContact CG2-CD1 3.84Å; T109-L114 HydrophobicContact CG2-CD2 3.85Å; T109-L114 HydrophobicContact CG2-CG 3.56Å; T109-L129 WeakPolarHBondContact O-CD2 3.27Å
110E79.7Confident79Confident109 Ų10957.2 Ų57.251%0.50928%0.278SS..  trans-95.7154.1174.8-63.1-176.3173.800111.8N112 R113 L114E110-N112 PolarHBondContact O-N 2.61Å; E110-R113 HydrophobicContact CB-CG 4.44Å; E110-R113 PolarHBondContact O-N 3.36Å; E110-L114 PolarHBondContact O-N 2.91Å
111E83.3Confident79.3Confident42 Ų4257.9 Ų57.920%0.19628%0.28CS..Hα-helixtrans-55.2-39.6176-167.8-170.6132.300112.1R26 L114 R115 V127R26-E111 IonicContact CZ-OE2 3.96Å; R26-E111 IonicContact NH2-OE1 2.76Å; R26-E111 IonicContact NH2-OE2 2.79Å; R26-E111 PolarHBondContact NH2-OE2 3.16Å; E111-L114 PolarHBondContact O-N 3.44Å; E111-R115 WeakPolarHBondContact O-CB 3.41Å; E111-R115 PolarHBondContact O-N 3.18Å; E111-R115 IonicContact OE1-NH2 2.9Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; E111-V127 HydrophobicContact CG-CB 3.5Å; E111-V127 HydrophobicContact CG-CG1 3.61Å
112N84Confident79.6Confident96 Ų9656.9 Ų56.951%0.51328%0.282SS..Hα-helixtrans-62.7-44.5-179.5-65.8-26.5000111.5E110 L114 R115 D116E110-N112 PolarHBondContact O-N 2.61Å; N112-L114 PolarHBondContact O-N 3.14Å; N112-R115 WeakPolarHBondContact O-CB 3.4Å; N112-R115 PolarHBondContact O-N 2.97Å; N112-R115 VanDerWaalsContact O-N 3.16Å; N112-D116 VanDerWaalsContact O-CG 3.26Å; N112-D116 PolarHBondContact O-N 3.39Å
113R82Confident80Confident104 Ų10460.7 Ų60.739%0.39231%0.307SS..Hα-helixtrans-63.6-41.3179.1-66-176.4179.5164.6-1.3112.1D108 E110 R115 D116 Y117D108-R113 PolarHBondContact O-NH1 3.45Å; E110-R113 HydrophobicContact CB-CG 4.44Å; E110-R113 PolarHBondContact O-N 3.36Å; R113-R115 VanDerWaalsContact C-N 3.34Å; R113-D116 PolarHBondContact O-N 2.82Å; R113-Y117 WeakPolarHBondContact O-CB 3.32Å; R113-Y117 PolarHBondContact O-N 2.84Å
114L83.1Confident80.7Confident10 Ų1059.3 Ų59.35%0.05230%0.301CS..Hα-helixtrans-61.9-45.2174-71168.1000110.9L105 T109 E110 E111 N112 D116 Y117 F118 V127 L129 A145L105-L114 HydrophobicContact CD1-CD1 3.91Å; L105-L114 HydrophobicContact CD1-CD2 3.93Å; L105-L114 HydrophobicContact CD2-CD2 3.74Å; T109-L114 HydrophobicContact CG2-CD1 3.84Å; T109-L114 HydrophobicContact CG2-CD2 3.85Å; T109-L114 HydrophobicContact CG2-CG 3.56Å; E110-L114 PolarHBondContact O-N 2.91Å; E111-L114 PolarHBondContact O-N 3.44Å; N112-L114 PolarHBondContact O-N 3.14Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-D116 PolarHBondContact O-N 2.87Å; L114-Y117 PolarHBondContact O-N 2.76Å; L114-F118 HydrophobicContact CB-CD2 4.39Å; L114-F118 HydrophobicContact CD2-CE2 3.97Å; L114-F118 WeakPolarHBondContact O-CB 3.36Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.46Å; L114-V127 HydrophobicContact CB-CG1 4Å; L114-V127 HydrophobicContact CD1-CG1 3.98Å; L114-L129 HydrophobicContact CD1-CD1 4.48Å; L114-A145 HydrophobicContact CD1-CB 3.51Å
115R87.1Confident81.4Confident74 Ų7459.5 Ų59.528%0.27930%0.299SS..Hα-helixtrans-59-46.5178-173.3-179.7-62.5-163.63111.4E111 N112 R113 F118 S119 V124 V127E111-R115 WeakPolarHBondContact O-CB 3.41Å; E111-R115 PolarHBondContact O-N 3.18Å; E111-R115 IonicContact OE1-NH2 2.9Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; N112-R115 WeakPolarHBondContact O-CB 3.4Å; N112-R115 PolarHBondContact O-N 2.97Å; N112-R115 VanDerWaalsContact O-N 3.16Å; R113-R115 VanDerWaalsContact C-N 3.34Å; R115-F118 PolarHBondContact O-N 2.95Å; R115-S119 VanDerWaalsContact O-CB 3.27Å; R115-S119 WeakPolarHBondContact O-CB 3.48Å; R115-S119 PolarHBondContact O-N 3.25Å; R115-S119 PolarHBondContact O-OG 3.18Å; R115-V124 HydrophobicContact CG-CB 4.22Å; R115-V124 HydrophobicContact CG-CG1 4.31Å; R115-V127 HydrophobicContact CB-CG2 4.14Å
116D85.2Confident81.9Confident119 Ų11960.1 Ų60.164%0.63630%0.302SS*.Hα-helixtrans-63.8-43.5179.7-65.1-22.4000111.1N112 R113 L114 S119N112-D116 VanDerWaalsContact O-CG 3.26Å; N112-D116 PolarHBondContact O-N 3.39Å; R113-D116 PolarHBondContact O-N 2.82Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-D116 PolarHBondContact O-N 2.87Å; D116-S119 PolarHBondContact O-N 2.81Å
117Y81.8Confident82.6Confident63 Ų6358.8 Ų58.825%0.24729%0.293CS..Hα-helixtrans-60.2-50.6175.1-179.3-92.2000112.1R113 L114 S119 R120 Y121 F203R113-Y117 WeakPolarHBondContact O-CB 3.32Å; R113-Y117 PolarHBondContact O-N 2.84Å; L114-Y117 PolarHBondContact O-N 2.76Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.36Å; Y117-R120 WeakPolarHBondContact O-CD 3.44Å; Y117-R120 WeakPolarHBondContact O-CG 3.45Å; Y117-R120 PolarHBondContact O-NE 2.78Å; Y117-R120 PolarHBondContact OH-NH2 2.89Å; Y117-Y121 HydrophobicContact CD1-CE2 4.41Å; Y117-Y121 HydrophobicContact CE1-CE2 4.08Å; Y117-F203 HydrophobicContact CD2-CE1 4.42Å; Y117-F203 AromaticContact CD2-CZ 3.97Å; Y117-F203 HydrophobicContact CD2-CZ 3.97Å
118F84.7Confident83.3Confident3 Ų354.6 Ų54.61%0.01327%0.274CS..Hα-helixtrans-75.3-18.5-176.5-75-69000113.4V102 L114 R115 R120 Y121 V124 V147 F149 V211V102-F118 HydrophobicContact CG1-CZ 4.49Å; V102-F118 HydrophobicContact CG2-CE1 4.37Å; V102-F118 HydrophobicContact CG2-CE2 3.7Å; V102-F118 HydrophobicContact CG2-CZ 3.38Å; L114-F118 HydrophobicContact CB-CD2 4.39Å; L114-F118 HydrophobicContact CD2-CE2 3.97Å; L114-F118 WeakPolarHBondContact O-CB 3.36Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.46Å; R115-F118 PolarHBondContact O-N 2.95Å; F118-R120 PolarHBondContact O-N 3.19Å; F118-R120 VanDerWaalsContact O-N 3.08Å; F118-Y121 AromaticContact CD1-CD2 3.8Å; F118-Y121 HydrophobicContact CD1-CD2 3.8Å; F118-Y121 AromaticContact CD1-CE2 3.96Å; F118-Y121 HydrophobicContact CD1-CE2 3.96Å; F118-Y121 HydrophobicContact CE1-CE2 4.41Å; F118-Y121 PolarHBondContact O-N 3.28Å; F118-V124 HydrophobicContact CB-CG2 3.82Å; F118-V147 HydrophobicContact CB-CG1 3.93Å; F118-V147 HydrophobicContact CD2-CB 4.28Å; F118-V147 HydrophobicContact CD2-CG1 3.96Å; F118-V147 HydrophobicContact CD2-CG2 3.57Å; F118-V147 HydrophobicContact CE2-CG2 3.67Å; F118-V147 HydrophobicContact CG-CG1 3.88Å; F118-V147 HydrophobicContact CG-CG2 4.29Å; F118-V147 HydrophobicContact CZ-CG2 4.4Å; F118-F149 HydrophobicContact CB-CE1 3.99Å; F118-F149 HydrophobicContact CB-CZ 3.8Å; F118-F149 HydrophobicContact CD1-CE2 4.48Å; F118-F149 AromaticContact CD1-CZ 3.69Å; F118-F149 HydrophobicContact CD1-CZ 3.69Å; F118-F149 HydrophobicContact CG-CZ 4.01Å; F118-F149 WeakPolarHBondContact O-CE1 3.38Å; F118-V211 HydrophobicContact CE1-CG1 4.45Å; F118-V211 HydrophobicContact CZ-CG1 4.46Å; F118-V211 HydrophobicContact CZ-CG2 4.45Å
119S85.9Confident83.7Confident59 Ų5949.5 Ų49.541%0.41325%0.246SC..THydrogen-bonded Turntrans-61.8-17177.9-69.60000113.7R115 D116 Y117 G122R115-S119 VanDerWaalsContact O-CB 3.27Å; R115-S119 WeakPolarHBondContact O-CB 3.48Å; R115-S119 PolarHBondContact O-N 3.25Å; R115-S119 PolarHBondContact O-OG 3.18Å; D116-S119 PolarHBondContact O-N 2.81Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.36Å; S119-G122 WeakPolarHBondContact CA-O 3.41Å
120R84.5Confident83.7Confident113 Ų11349.8 Ų49.843%0.42625%0.248SC..THydrogen-bonded Turntrans-71.5-27.8173.774.3-160179.8179.48.5113.9Y117 F118Y117-R120 WeakPolarHBondContact O-CD 3.44Å; Y117-R120 WeakPolarHBondContact O-CG 3.45Å; Y117-R120 PolarHBondContact O-NE 2.78Å; Y117-R120 PolarHBondContact OH-NH2 2.89Å; F118-R120 PolarHBondContact O-N 3.19Å; F118-R120 VanDerWaalsContact O-N 3.08Å
121Y84.5Confident83.3Confident14 Ų1448 Ų486%0.05524%0.244CC..THydrogen-bonded Turntrans-82.6-34.7179.1-59.3-71.9000112.1Y117 F118 K157 A158 E161Y117-Y121 HydrophobicContact CD1-CE2 4.41Å; Y117-Y121 HydrophobicContact CE1-CE2 4.08Å; F118-Y121 AromaticContact CD1-CD2 3.8Å; F118-Y121 HydrophobicContact CD1-CD2 3.8Å; F118-Y121 AromaticContact CD1-CE2 3.96Å; F118-Y121 HydrophobicContact CD1-CE2 3.96Å; F118-Y121 HydrophobicContact CE1-CE2 4.41Å; F118-Y121 PolarHBondContact O-N 3.28Å; Y121-K157 HydrophobicContact CD1-CB 4.06Å; Y121-A158 HydrophobicContact CD1-CB 4.36Å; Y121-A158 HydrophobicContact CD2-CB 4.28Å; Y121-A158 HydrophobicContact CG-CB 4.09Å; Y121-E161 HydrophobicContact CE1-CB 3.88Å; Y121-E161 HydrophobicContact CE1-CG 4.01Å; Y121-E161 WeakPolarHBondContact CE1-OE2 3.31Å; Y121-E161 PolarHBondContact OH-OE2 3.06Å
122G85.4Confident82.3Confident21 Ų2150.8 Ų50.822%0.21626%0.256CS..SBendtrans175.2-177.6179.800000112.3S119 V124S119-G122 WeakPolarHBondContact CA-O 3.41Å; G122-V124 PolarHBondContact O-N 3.25Å
123C86.2Confident81.2Confident80 Ų8056.8 Ų56.854%0.54127%0.272SS..  trans-71.7123.8179.3-171.60000110.2F149 S150C123-F149 CarbonylContact O-C 3.55Å; C123-F149 WeakPolarHBondContact O-CA 3.48Å; C123-S150 WeakPolarHBondContact CB-OG 3.44Å; C123-S150 PolarHBondContact O-N 2.94Å; C123-S150 PolarHBondContact O-OG 3.02Å
124V88Confident80.1Confident13 Ų1355.5 Ų55.58%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-89.4120.6178.4-177.70000109.7R115 F118 G122 V127 V147 Q148 F149R115-V124 HydrophobicContact CG-CB 4.22Å; R115-V124 HydrophobicContact CG-CG1 4.31Å; F118-V124 HydrophobicContact CB-CG2 3.82Å; G122-V124 PolarHBondContact O-N 3.25Å; V124-V127 HydrophobicContact CG1-CG2 3.47Å; V124-V127 VanDerWaalsContact CG1-CG2 3.47Å; V124-V147 HydrophobicContact CG1-CG1 3.93Å; V124-V147 HydrophobicContact CG2-CG1 4.36Å; V124-Q148 CarbonylContact C-O 3.37Å; V124-Q148 WeakPolarHBondContact CA-O 3.48Å; V124-F149 HydrophobicContact CG2-CD1 4.24Å; V124-F149 HydrophobicContact CG2-CE1 4.01Å
125F85.8Confident79.1Confident25 Ų2561 Ų6111%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-80-46.5176.9-88.5-46.2000113R19 V22 Q148 F149R19-F125 HydrophobicContact CB-CD1 4.15Å; R19-F125 HydrophobicContact CB-CE1 3.91Å; R19-F125 HydrophobicContact CG-CD1 3.93Å; R19-F125 HydrophobicContact CG-CE1 4.22Å; R19-F125 VanDerWaalsContact CZ-O 3.29Å; R19-F125 PolarHBondContact NH2-O 3.34Å; V22-F125 HydrophobicContact CG1-CD2 4.29Å; V22-F125 HydrophobicContact CG2-CD2 3.96Å; V22-F125 HydrophobicContact CG2-CE2 3.8Å; V22-F125 HydrophobicContact CG2-CG 4.5Å; V22-F125 HydrophobicContact CG2-CZ 4.25Å; F125-Q148 HydrophobicContact CB-CG 4.28Å; F125-Q148 PolarHBondContact N-O 3.43Å; F125-F149 WeakPolarHBondContact CD2-O 3.47Å
126D85.5Confident78.1Confident21 Ų2165.4 Ų65.411%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-149.9147.9-178-164.433.5000110P24 C25 Q148P24-D126 WeakPolarHBondContact CA-OD2 3.42Å; P24-D126 WeakPolarHBondContact CB-OD2 3.18Å; C25-D126 PolarHBondContact N-OD2 2.98Å; D126-Q148 HydrophobicContact CB-CB 4.43Å; D126-Q148 PolarHBondContact O-N 3.45Å
127V85.7Confident76.7Confident0 Ų062.8 Ų62.80%033%0.331CS..EExtended strand (participates in β ladder)trans-129129.9170.9-179.10000107E111 L114 R115 V124 F146 V147E111-V127 HydrophobicContact CG-CB 3.5Å; E111-V127 HydrophobicContact CG-CG1 3.61Å; L114-V127 HydrophobicContact CB-CG1 4Å; L114-V127 HydrophobicContact CD1-CG1 3.98Å; R115-V127 HydrophobicContact CB-CG2 4.14Å; V124-V127 HydrophobicContact CG1-CG2 3.47Å; V124-V127 VanDerWaalsContact CG1-CG2 3.47Å; V127-F146 CarbonylContact C-O 3.42Å; V127-F146 WeakPolarHBondContact CA-O 3.39Å; V127-V147 HydrophobicContact CG1-CG2 4.26Å; V127-V147 HydrophobicContact CG2-CG1 4.37Å; V127-V147 HydrophobicContact CG2-CG2 4.42Å
128H83.3Confident75.4Confident32 Ų3266.1 Ų66.115%0.14835%0.351CS..EExtended strand (participates in β ladder)trans-121.2115.5175.2-178.539.7000110.2C25 R26 P130 A145 F146C25-H128 HydrophobicContact CB-CB 3.6Å; R26-H128 HydrophobicContact CG-CB 3.9Å; H128-P130 WeakPolarHBondContact O-CD 3.36Å; H128-A145 CarbonylContact O-C 3.6Å; H128-A145 VanDerWaalsContact O-CA 3.32Å; H128-A145 WeakPolarHBondContact O-CA 3.23Å; H128-F146 HydrophobicContact CB-CB 4.28Å; H128-F146 PolarHBondContact N-O 3.13Å; H128-F146 PolarHBondContact O-N 3.2Å
129L80.8Confident74Confident25 Ų2569.6 Ų69.613%0.13137%0.372CS..  trans-101.1107.5165.9-171.771.6000108.4L105 T109 L114 V131 F144 A145L105-L129 HydrophobicContact CD1-CD1 4.12Å; T109-L129 WeakPolarHBondContact O-CD2 3.27Å; L114-L129 HydrophobicContact CD1-CD1 4.48Å; L129-V131 HydrophobicContact CD2-CG2 4.47Å; L129-V131 HydrophobicContact CG-CG2 4.44Å; L129-V131 PolarHBondContact O-N 3.42Å; L129-F144 WeakPolarHBondContact CD1-O 3.16Å; L129-A145 HydrophobicContact CD1-CB 3.96Å
130P72.3Confident72.5Confident22 Ų2273.1 Ų73.114%0.14338%0.38CS..  trans-72.6114.8177-19.334.6000110.7H128 K142 F144 F146H128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-K142 PolarHBondContact O-N 3.34Å; P130-F144 HydrophobicContact CB-CE2 4.31Å; P130-F144 WeakPolarHBondContact CD-O 3.49Å; P130-F144 HydrophobicContact CG-CD2 4.19Å; P130-F144 HydrophobicContact CG-CE2 3.63Å; P130-F144 HydrophobicContact CG-CZ 4.34Å; P130-F146 HydrophobicContact CG-CD2 4.29Å; P130-F146 HydrophobicContact CG-CE2 4.13Å
131V70.7Confident71.1Confident71 Ų7168.4 Ų68.443%0.4337%0.366SS..BIsolated β-bridgetrans-102.5119-177.41760000109L129 R133 V139L129-V131 HydrophobicContact CD2-CG2 4.47Å; L129-V131 HydrophobicContact CG-CG2 4.44Å; L129-V131 PolarHBondContact O-N 3.42Å; V131-R133 PolarHBondContact O-N 2.9Å; V131-V139 HydrophobicContact CB-CG1 4.32Å; V131-V139 HydrophobicContact CG1-CB 4.34Å; V131-V139 HydrophobicContact CG1-CG1 2.87Å
132K62.6Low70Confident102 Ų10272.7 Ų72.744%0.44339%0.385SS..  trans-82.6111.4175.4-170.9171.3176.3-173.20109F134K132-F134 HydrophobicContact CB-CE2 4.2Å; K132-F134 HydrophobicContact CD-CD2 4.26Å; K132-F134 HydrophobicContact CD-CE1 4.13Å; K132-F134 HydrophobicContact CD-CE2 3.45Å; K132-F134 VanDerWaalsContact CD-CE2 3.45Å; K132-F134 HydrophobicContact CD-CZ 3.41Å; K132-F134 VanDerWaalsContact CD-CZ 3.41Å; K132-F134 HydrophobicContact CG-CD2 4.02Å; K132-F134 HydrophobicContact CG-CE2 3.68Å; K132-F134 HydrophobicContact CG-CZ 4.09Å
133R60.1Low69.3Low221 Ų22177.5 Ų77.583%0.83440%0.396SS*.  trans-82114.3170.8-62.7-178.2-176.7-176.7-1.2108.4V131V131-R133 PolarHBondContact O-N 2.9Å
134F59.9Low68.8Low78 Ų7876 Ų7634%0.34238%0.381SS..  trans-94150.4165.6-71.9-89.3000109.2K132 E136 G137 K140K132-F134 HydrophobicContact CB-CE2 4.2Å; K132-F134 HydrophobicContact CD-CD2 4.26Å; K132-F134 HydrophobicContact CD-CE1 4.13Å; K132-F134 HydrophobicContact CD-CE2 3.45Å; K132-F134 VanDerWaalsContact CD-CE2 3.45Å; K132-F134 HydrophobicContact CD-CZ 3.41Å; K132-F134 VanDerWaalsContact CD-CZ 3.41Å; K132-F134 HydrophobicContact CG-CD2 4.02Å; K132-F134 HydrophobicContact CG-CE2 3.68Å; K132-F134 HydrophobicContact CG-CZ 4.09Å; F134-E136 PolarHBondContact O-N 3.42Å; F134-E136 VanDerWaalsContact O-N 3.17Å; F134-G137 PolarHBondContact O-N 3.37Å; F134-K140 HydrophobicContact CE2-CB 4.5Å
135P61.9Low68.4Low125 Ų12575.4 Ų75.481%0.81238%0.377SS*.THydrogen-bonded Turntrans-61.3-20.2179.422.8-31.9000113.6G137P135-G137 VanDerWaalsContact C-N 3.34Å; P135-G137 PolarHBondContact O-N 3.2Å
136E65.3Low68.2Low166 Ų16675 Ų7578%0.77638%0.375SS*.THydrogen-bonded Turntrans-90.319.5-175.6-65.6139.5-15700114.3F134 I138F134-E136 PolarHBondContact O-N 3.42Å; F134-E136 VanDerWaalsContact O-N 3.17Å; E136-I138 VanDerWaalsContact C-N 3.29Å; E136-I138 PolarHBondContact O-N 3.08Å; E136-I138 VanDerWaalsContact O-N 3.14Å
137G56.4Low68.2Low65 Ų6574 Ų7467%0.6737%0.37SS*.SBendtrans77.9-4.2166.900000117F134 P135F134-G137 PolarHBondContact O-N 3.37Å; P135-G137 VanDerWaalsContact C-N 3.34Å; P135-G137 PolarHBondContact O-N 3.2Å
138I53.3Low68.1Low133 Ų13374.1 Ų74.168%0.68237%0.37SS*.  trans-111.7118.2175.2-56.3175.6000110.9E136 K140E136-I138 VanDerWaalsContact C-N 3.29Å; E136-I138 PolarHBondContact O-N 3.08Å; E136-I138 VanDerWaalsContact O-N 3.14Å; I138-K140 PolarHBondContact O-N 3.28Å
139V54.9Low68.3Low75 Ų7572.6 Ų72.646%0.45536%0.363SS..  trans-97.890.4-168.5173.70000108.1V131 A141V131-V139 HydrophobicContact CB-CG1 4.32Å; V131-V139 HydrophobicContact CG1-CB 4.34Å; V131-V139 HydrophobicContact CG1-CG1 2.87Å; V139-A141 PolarHBondContact O-N 3.13Å
140K54.5Low68.4Low133 Ų13372.4 Ų72.458%0.57836%0.364SS*.  trans-68.699169.3-74.8-175.8177.4179.20107.9F134 I138 K142F134-K140 HydrophobicContact CE2-CB 4.5Å; I138-K140 PolarHBondContact O-N 3.28Å; K140-K142 PolarHBondContact O-N 3.25Å
141A56.7Low68.9Low15 Ų1575.5 Ų75.512%0.12438%0.379CS..BIsolated β-bridgetrans-54.8122.6166.500000106.7V139 R143V139-A141 PolarHBondContact O-N 3.13Å; A141-R143 PolarHBondContact O-N 2.86Å
142K60.9Low69.5Low104 Ų10474.9 Ų74.945%0.45237%0.373SS..  trans-61.3131.4169.7-71-178.9171.9-172.90105.1P130 K140 F144P130-K142 PolarHBondContact O-N 3.34Å; K140-K142 PolarHBondContact O-N 3.25Å; K142-F144 HydrophobicContact CB-CD1 3.7Å; K142-F144 HydrophobicContact CB-CE1 3.46Å; K142-F144 VanDerWaalsContact CB-CE1 3.46Å; K142-F144 HydrophobicContact CB-CG 4.46Å; K142-F144 HydrophobicContact CB-CZ 4.04Å; K142-F144 HydrophobicContact CD-CE1 3.52Å; K142-F144 HydrophobicContact CD-CZ 3.64Å; K142-F144 HydrophobicContact CG-CE1 4.04Å; K142-F144 HydrophobicContact CG-CZ 4.5Å; K142-F144 PolarHBondContact O-N 3.4Å
143R70.8Confident70.6Confident121 Ų12175.3 Ų75.346%0.45738%0.38SS..SBendtrans-69.832-172.2-64-177.664.3-179.6-5.1113D103 S104 L105 A141D103-R143 CarbonylContact C-O 3.54Å; S104-R143 CarbonylContact C-O 3.3Å; S104-R143 WeakPolarHBondContact CA-O 3.13Å; S104-R143 PolarHBondContact N-O 3.43Å; S104-R143 PolarHBondContact O-NH2 3.23Å; L105-R143 PolarHBondContact N-O 2.58Å; L105-R143 VanDerWaalsContact O-CB 3.26Å; L105-R143 WeakPolarHBondContact O-CB 3.36Å; L105-R143 VanDerWaalsContact O-CG 3.29Å; L105-R143 WeakPolarHBondContact O-CG 3.47Å; L105-R143 PolarHBondContact O-NE 3.04Å; A141-R143 PolarHBondContact O-N 2.86Å
144F76.4Confident71.8Confident49 Ų4965 Ų6522%0.21534%0.342CS..  trans-139.2150.7179.366.3-102.7000111.6F101 V102 L129 P130 K142 F146F101-F144 HydrophobicContact CD2-CD2 4.37Å; F101-F144 HydrophobicContact CE2-CB 3.61Å; F101-F144 AromaticContact CE2-CD2 3.49Å; F101-F144 HydrophobicContact CE2-CD2 3.49Å; F101-F144 VanDerWaalsContact CE2-CD2 3.49Å; F101-F144 HydrophobicContact CE2-CE2 4.2Å; F101-F144 AromaticContact CE2-CG 3.67Å; F101-F144 HydrophobicContact CE2-CG 3.67Å; F101-F144 HydrophobicContact CZ-CB 3.73Å; F101-F144 HydrophobicContact CZ-CD2 4.27Å; F101-F144 HydrophobicContact CZ-CG 4Å; V102-F144 CarbonylContact O-C 3.52Å; V102-F144 WeakPolarHBondContact O-CA 3.19Å; V102-F144 WeakPolarHBondContact O-CB 3.48Å; L129-F144 WeakPolarHBondContact CD1-O 3.16Å; P130-F144 HydrophobicContact CB-CE2 4.31Å; P130-F144 WeakPolarHBondContact CD-O 3.49Å; P130-F144 HydrophobicContact CG-CD2 4.19Å; P130-F144 HydrophobicContact CG-CE2 3.63Å; P130-F144 HydrophobicContact CG-CZ 4.34Å; K142-F144 HydrophobicContact CB-CD1 3.7Å; K142-F144 HydrophobicContact CB-CE1 3.46Å; K142-F144 VanDerWaalsContact CB-CE1 3.46Å; K142-F144 HydrophobicContact CB-CG 4.46Å; K142-F144 HydrophobicContact CB-CZ 4.04Å; K142-F144 HydrophobicContact CD-CE1 3.52Å; K142-F144 HydrophobicContact CD-CZ 3.64Å; K142-F144 HydrophobicContact CG-CE1 4.04Å; K142-F144 HydrophobicContact CG-CZ 4.5Å; K142-F144 PolarHBondContact O-N 3.4Å; F144-F146 HydrophobicContact CD2-CE2 4.08Å; F144-F146 HydrophobicContact CD2-CZ 4.37Å; F144-F146 AromaticContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CZ 4.13Å
145A79.3Confident72.8Confident0 Ų061.3 Ų61.30%033%0.326CS..EExtended strand (participates in β ladder)trans-133.8157.9175.800000111V102 L105 L114 H128 L129V102-A145 HydrophobicContact CB-CB 4.47Å; V102-A145 PolarHBondContact N-O 2.81Å; V102-A145 PolarHBondContact O-N 2.73Å; L105-A145 HydrophobicContact CD1-CB 3.44Å; L105-A145 VanDerWaalsContact CD1-CB 3.44Å; L114-A145 HydrophobicContact CD1-CB 3.51Å; H128-A145 CarbonylContact O-C 3.6Å; H128-A145 VanDerWaalsContact O-CA 3.32Å; H128-A145 WeakPolarHBondContact O-CA 3.23Å; L129-A145 HydrophobicContact CD1-CB 3.96Å
146F81.3Confident73.7Confident17 Ų1757.6 Ų57.68%0.07531%0.306CS..EExtended strand (participates in β ladder)trans-108.2132.7168-62-78.1000109C25 S29 V100 F101 V127 H128 P130 F144 W214C25-F146 HydrophobicContact CB-CB 3.67Å; C25-F146 HydrophobicContact CB-CG 4.49Å; S29-F146 WeakPolarHBondContact OG-CE2 3.33Å; V100-F146 WeakPolarHBondContact O-CA 3.3Å; F101-F146 HydrophobicContact CB-CD1 4.41Å; F101-F146 HydrophobicContact CB-CE1 4.32Å; F101-F146 AromaticContact CD2-CD1 3.94Å; F101-F146 HydrophobicContact CD2-CD1 3.94Å; F101-F146 AromaticContact CD2-CE1 3.39Å; F101-F146 HydrophobicContact CD2-CE1 3.39Å; F101-F146 AromaticContact CD2-CZ 3.82Å; F101-F146 HydrophobicContact CD2-CZ 3.82Å; F101-F146 HydrophobicContact CE2-CE1 4.11Å; F101-F146 HydrophobicContact CE2-CZ 4.06Å; F101-F146 HydrophobicContact CG-CE1 4.27Å; V127-F146 CarbonylContact C-O 3.42Å; V127-F146 WeakPolarHBondContact CA-O 3.39Å; H128-F146 HydrophobicContact CB-CB 4.28Å; H128-F146 PolarHBondContact N-O 3.13Å; H128-F146 PolarHBondContact O-N 3.2Å; P130-F146 HydrophobicContact CG-CD2 4.29Å; P130-F146 HydrophobicContact CG-CE2 4.13Å; F144-F146 HydrophobicContact CD2-CE2 4.08Å; F144-F146 HydrophobicContact CD2-CZ 4.37Å; F144-F146 AromaticContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CZ 4.13Å; F146-W214 HydrophobicContact CD1-CE3 4.32Å; F146-W214 HydrophobicContact CD1-CZ3 4.34Å; F146-W214 AromaticContact CE1-CE3 3.71Å; F146-W214 HydrophobicContact CE1-CE3 3.71Å; F146-W214 AromaticContact CE1-CH2 3.85Å; F146-W214 HydrophobicContact CE1-CH2 3.85Å; F146-W214 AromaticContact CE1-CZ3 3.34Å; F146-W214 HydrophobicContact CE1-CZ3 3.34Å; F146-W214 HydrophobicContact CZ-CH2 4.23Å; F146-W214 HydrophobicContact CZ-CZ3 4.02Å
147V84.5Confident74.5Confident0 Ų055.4 Ų55.40%029%0.294CS..EExtended strand (participates in β ladder)trans-125.4124.9178.9-179.60000107.8S99 V100 V102 F118 V124 V127 F149S99-V147 CarbonylContact C-O 3.51Å; S99-V147 WeakPolarHBondContact CA-O 3.32Å; V100-V147 PolarHBondContact N-O 3.38Å; V100-V147 PolarHBondContact O-N 2.89Å; V102-V147 HydrophobicContact CG2-CG2 4.05Å; F118-V147 HydrophobicContact CB-CG1 3.93Å; F118-V147 HydrophobicContact CD2-CB 4.28Å; F118-V147 HydrophobicContact CD2-CG1 3.96Å; F118-V147 HydrophobicContact CD2-CG2 3.57Å; F118-V147 HydrophobicContact CE2-CG2 3.67Å; F118-V147 HydrophobicContact CG-CG1 3.88Å; F118-V147 HydrophobicContact CG-CG2 4.29Å; F118-V147 HydrophobicContact CZ-CG2 4.4Å; V124-V147 HydrophobicContact CG1-CG1 3.93Å; V124-V147 HydrophobicContact CG2-CG1 4.36Å; V127-V147 HydrophobicContact CG1-CG2 4.26Å; V127-V147 HydrophobicContact CG2-CG1 4.37Å; V127-V147 HydrophobicContact CG2-CG2 4.42Å; V147-F149 HydrophobicContact CB-CE2 4.38Å; V147-F149 HydrophobicContact CG1-CD2 4.3Å; V147-F149 HydrophobicContact CG1-CE1 4.46Å; V147-F149 HydrophobicContact CG1-CE2 3.74Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å
148Q85Confident75.6Confident2 Ų252.3 Ų52.31%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-110.2128.4178.3-174.9172.853.300110.1V22 I23 C25 C95 C98 V124 F125 D126V22-Q148 HydrophobicContact CG1-CG 4.27Å; I23-Q148 PolarHBondContact O-NE2 3.17Å; I23-Q148 VanDerWaalsContact O-NE2 3.14Å; I23-Q148 PolarHBondContact O-OE1 3.31Å; C25-Q148 VanDerWaalsContact SG-CB 3.57Å; C95-Q148 PolarHBondContact O-NE2 2.88Å; C98-Q148 CarbonylContact O-C 3.56Å; C98-Q148 WeakPolarHBondContact O-CA 3.14Å; V124-Q148 CarbonylContact C-O 3.37Å; V124-Q148 WeakPolarHBondContact CA-O 3.48Å; F125-Q148 HydrophobicContact CB-CG 4.28Å; F125-Q148 PolarHBondContact N-O 3.43Å; D126-Q148 HydrophobicContact CB-CB 4.43Å; D126-Q148 PolarHBondContact O-N 3.45Å
149F87.4Confident76.4Confident1 Ų147.8 Ų47.80%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-99.8163.6179-67.7-85000112C98 V100 F118 C123 V124 F125 V147 A154 V155 A158C98-F149 WeakPolarHBondContact CB-O 2.98Å; C98-F149 PolarHBondContact O-N 2.86Å; V100-F149 HydrophobicContact CB-CE2 4.08Å; V100-F149 HydrophobicContact CG2-CD2 4.05Å; V100-F149 HydrophobicContact CG2-CE2 3.73Å; F118-F149 HydrophobicContact CB-CE1 3.99Å; F118-F149 HydrophobicContact CB-CZ 3.8Å; F118-F149 HydrophobicContact CD1-CE2 4.48Å; F118-F149 AromaticContact CD1-CZ 3.69Å; F118-F149 HydrophobicContact CD1-CZ 3.69Å; F118-F149 HydrophobicContact CG-CZ 4.01Å; F118-F149 WeakPolarHBondContact O-CE1 3.38Å; C123-F149 CarbonylContact O-C 3.55Å; C123-F149 WeakPolarHBondContact O-CA 3.48Å; V124-F149 HydrophobicContact CG2-CD1 4.24Å; V124-F149 HydrophobicContact CG2-CE1 4.01Å; F125-F149 WeakPolarHBondContact CD2-O 3.47Å; V147-F149 HydrophobicContact CB-CE2 4.38Å; V147-F149 HydrophobicContact CG1-CD2 4.3Å; V147-F149 HydrophobicContact CG1-CE1 4.46Å; V147-F149 HydrophobicContact CG1-CE2 3.74Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å; F149-A154 HydrophobicContact CB-CB 3.86Å; F149-A154 HydrophobicContact CD1-CB 3.55Å; F149-A154 HydrophobicContact CE1-CB 4.24Å; F149-A154 HydrophobicContact CG-CB 3.8Å; F149-V155 HydrophobicContact CB-CG2 4.17Å; F149-V155 HydrophobicContact CD2-CG2 3.71Å; F149-V155 HydrophobicContact CG-CG2 4.27Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 4.12Å
150S83.2Confident77.1Confident21 Ų2151 Ų5115%0.14726%0.256CS..SBendtrans-70.3-38.3170.856.30000113.7C123C123-S150 WeakPolarHBondContact CB-OG 3.44Å; C123-S150 PolarHBondContact O-N 2.94Å; C123-S150 PolarHBondContact O-OG 3.02Å
151D82.6Confident77.6Confident86 Ų8649.8 Ų49.846%0.4625%0.253SS..SBendtrans-125.7144.2-168.3-58-67.4000109.7D153 A154D151-D153 PolarHBondContact O-N 2.77Å; D151-A154 WeakPolarHBondContact O-CB 3.43Å; D151-A154 PolarHBondContact O-N 2.82Å
152I82.8Confident77.4Confident59 Ų5950 Ų5030%0.30325%0.251SS..Hα-helixtrans-64.6-28.4175.2-161.3167.6000111.6P93 D97 A154 V155 A156P93-I152 HydrophobicContact CB-CB 4.39Å; P93-I152 HydrophobicContact CB-CD1 4.38Å; D97-I152 HydrophobicContact CB-CD1 3.9Å; D97-I152 HydrophobicContact CB-CG1 4.45Å; I152-A154 VanDerWaalsContact C-N 3.27Å; I152-A154 PolarHBondContact O-N 3.08Å; I152-V155 WeakPolarHBondContact O-CB 3.32Å; I152-V155 PolarHBondContact O-N 2.95Å; I152-V155 VanDerWaalsContact O-N 3.13Å; I152-A156 PolarHBondContact O-N 2.57Å
153D84.7Confident76.5Confident110 Ų11049.8 Ų49.859%0.58826%0.261SS*.Hα-helixtrans-65.1-32.8176.1-61.3-25.2000111.8D151 V155 A156 K157D151-D153 PolarHBondContact O-N 2.77Å; D153-V155 VanDerWaalsContact C-N 3.32Å; D153-A156 PolarHBondContact O-N 2.83Å; D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 3.31Å
154A85.4Confident75.3Confident4 Ų447.2 Ų47.23%0.03326%0.259CS..Hα-helixtrans-68.9-35.6175.600000110.9F149 D151 I152 A158F149-A154 HydrophobicContact CB-CB 3.86Å; F149-A154 HydrophobicContact CD1-CB 3.55Å; F149-A154 HydrophobicContact CE1-CB 4.24Å; F149-A154 HydrophobicContact CG-CB 3.8Å; D151-A154 WeakPolarHBondContact O-CB 3.43Å; D151-A154 PolarHBondContact O-N 2.82Å; I152-A154 VanDerWaalsContact C-N 3.27Å; I152-A154 PolarHBondContact O-N 3.08Å; A154-A158 WeakPolarHBondContact O-CB 3.13Å; A154-A158 PolarHBondContact O-N 3.44Å
155V81.5Confident73.3Confident1 Ų149.7 Ų49.71%0.00628%0.28CS..Hα-helixtrans-63.5-44.8170.81740000110.8D97 C98 V100 F149 I152 D153 A158 C159 R213D97-V155 WeakPolarHBondContact O-CG2 3.18Å; C98-V155 VanDerWaalsContact C-CG2 3.43Å; C98-V155 WeakPolarHBondContact O-CG2 3.46Å; V100-V155 HydrophobicContact CG2-CB 4.09Å; V100-V155 HydrophobicContact CG2-CG1 3.62Å; V100-V155 HydrophobicContact CG2-CG2 3.86Å; F149-V155 HydrophobicContact CB-CG2 4.17Å; F149-V155 HydrophobicContact CD2-CG2 3.71Å; F149-V155 HydrophobicContact CG-CG2 4.27Å; I152-V155 WeakPolarHBondContact O-CB 3.32Å; I152-V155 PolarHBondContact O-N 2.95Å; I152-V155 VanDerWaalsContact O-N 3.13Å; D153-V155 VanDerWaalsContact C-N 3.32Å; V155-A158 WeakPolarHBondContact O-CB 3.02Å; V155-A158 PolarHBondContact O-N 3.47Å; V155-C159 VanDerWaalsContact O-CB 3.24Å; V155-C159 WeakPolarHBondContact O-CB 3.2Å; V155-C159 PolarHBondContact O-N 2.79Å; V155-C159 PolarHBondContact O-SG 2.66Å; V155-R213 HydrophobicContact CG1-CG 4.03Å
156A80.3Confident71Confident47 Ų4753.6 Ų53.639%0.38830%0.304SS..Hα-helixtrans-62.2-46.2177.500000111.9I152 D153 A158 C159 D160I152-A156 PolarHBondContact O-N 2.57Å; D153-A156 PolarHBondContact O-N 2.83Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-A158 PolarHBondContact O-N 2.97Å; A156-C159 CarbonylContact O-C 3.46Å; A156-C159 WeakPolarHBondContact O-CA 3.44Å; A156-C159 WeakPolarHBondContact O-CB 3.11Å; A156-C159 PolarHBondContact O-N 2.92Å; A156-C159 VanDerWaalsContact O-N 3.09Å; A156-D160 PolarHBondContact O-N 3.26Å
157K82.2Confident68.6Low121 Ų12161 Ų6153%0.52634%0.341SS..Hα-helixtrans-63.8-39.8176.6-72.5175.5-177.7-179.10113Y121 D153 E161Y121-K157 HydrophobicContact CD1-CB 4.06Å; D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 3.31Å; K157-E161 PolarHBondContact O-N 2.83Å
158A79Confident66.3Low0 Ų067.6 Ų67.60%038%0.376CS..Hα-helixtrans-56.9-57.7170.400000106.8Y121 F149 A154 V155 A156 D160 E161 H162Y121-A158 HydrophobicContact CD1-CB 4.36Å; Y121-A158 HydrophobicContact CD2-CB 4.28Å; Y121-A158 HydrophobicContact CG-CB 4.09Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 4.12Å; A154-A158 WeakPolarHBondContact O-CB 3.13Å; A154-A158 PolarHBondContact O-N 3.44Å; V155-A158 WeakPolarHBondContact O-CB 3.02Å; V155-A158 PolarHBondContact O-N 3.47Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-A158 PolarHBondContact O-N 2.97Å; A158-D160 VanDerWaalsContact C-N 3.34Å; A158-D160 PolarHBondContact O-N 3.44Å; A158-E161 CarbonylContact O-C 3.55Å; A158-E161 VanDerWaalsContact O-C 3.3Å; A158-E161 WeakPolarHBondContact O-CA 2.94Å; A158-E161 PolarHBondContact O-N 2.77Å; A158-H162 WeakPolarHBondContact CA-CE1 3.37Å; A158-H162 WeakPolarHBondContact CB-CE1 3.29Å; A158-H162 WeakPolarHBondContact CB-NE2 3.26Å; A158-H162 PolarHBondContact O-CD2 3.33Å; A158-H162 PolarHBondContact O-CE1 3.34Å; A158-H162 PolarHBondContact O-N 3.14Å; A158-H162 PolarHBondContact O-ND1 3.23Å; A158-H162 PolarHBondContact O-NE2 2.8Å
159C71.5Confident63.7Low37 Ų3775.4 Ų75.425%0.2541%0.413CS..Hα-helixtrans-52.8-38.3179.5-67.30000115.9V155 A156 E161 H162V155-C159 VanDerWaalsContact O-CB 3.24Å; V155-C159 WeakPolarHBondContact O-CB 3.2Å; V155-C159 PolarHBondContact O-N 2.79Å; V155-C159 PolarHBondContact O-SG 2.66Å; A156-C159 CarbonylContact O-C 3.46Å; A156-C159 WeakPolarHBondContact O-CA 3.44Å; A156-C159 WeakPolarHBondContact O-CB 3.11Å; A156-C159 PolarHBondContact O-N 2.92Å; A156-C159 VanDerWaalsContact O-N 3.09Å; C159-E161 VanDerWaalsContact C-N 3.35Å; C159-H162 WeakPolarHBondContact CA-CD2 3.39Å; C159-H162 PolarHBondContact N-CD2 3.4Å; C159-H162 PolarHBondContact N-NE2 3.32Å; C159-H162 VanDerWaalsContact N-NE2 3.14Å; C159-H162 WeakPolarHBondContact O-CB 3.3Å; C159-H162 PolarHBondContact O-N 3.4Å; C159-H162 VanDerWaalsContact O-N 3.1Å; C159-H162 PolarHBondContact SG-CD2 2.93Å
160D70.1Confident60.9Low144 Ų14482.1 Ų82.177%0.7745%0.449SS*.Hα-helixtrans-69.2-37175.6-85.7-3.4000111.6A156 A158 H162A156-D160 PolarHBondContact O-N 3.26Å; A158-D160 VanDerWaalsContact C-N 3.34Å; A158-D160 PolarHBondContact O-N 3.44Å; D160-H162 PolarHBondContact O-N 3.47Å
161E64.8Low58.4Low106 Ų10687.8 Ų87.850%0.49548%0.482SS..THydrogen-bonded Turntrans-83.38.1171.6-69.1-173.5-15500112.7Y121 K157 A158 C159 C163Y121-E161 HydrophobicContact CE1-CB 3.88Å; Y121-E161 HydrophobicContact CE1-CG 4.01Å; Y121-E161 WeakPolarHBondContact CE1-OE2 3.31Å; Y121-E161 PolarHBondContact OH-OE2 3.06Å; K157-E161 PolarHBondContact O-N 2.83Å; A158-E161 CarbonylContact O-C 3.55Å; A158-E161 VanDerWaalsContact O-C 3.3Å; A158-E161 WeakPolarHBondContact O-CA 2.94Å; A158-E161 PolarHBondContact O-N 2.77Å; C159-E161 VanDerWaalsContact C-N 3.35Å; E161-C163 PolarHBondContact O-N 3.03Å
162H52.2Low55.8Low19 Ų1988.9 Ų88.99%0.08850%0.497CS..SBendtrans-83.112.9-177.8-65.1-20.6000115.6A158 C159 D160 V211A158-H162 WeakPolarHBondContact CA-CE1 3.37Å; A158-H162 WeakPolarHBondContact CB-CE1 3.29Å; A158-H162 WeakPolarHBondContact CB-NE2 3.26Å; A158-H162 PolarHBondContact O-CD2 3.33Å; A158-H162 PolarHBondContact O-CE1 3.34Å; A158-H162 PolarHBondContact O-N 3.14Å; A158-H162 PolarHBondContact O-ND1 3.23Å; A158-H162 PolarHBondContact O-NE2 2.8Å; C159-H162 WeakPolarHBondContact CA-CD2 3.39Å; C159-H162 PolarHBondContact N-CD2 3.4Å; C159-H162 PolarHBondContact N-NE2 3.32Å; C159-H162 VanDerWaalsContact N-NE2 3.14Å; C159-H162 WeakPolarHBondContact O-CB 3.3Å; C159-H162 PolarHBondContact O-N 3.4Å; C159-H162 VanDerWaalsContact O-N 3.1Å; C159-H162 PolarHBondContact SG-CD2 2.93Å; D160-H162 PolarHBondContact O-N 3.47Å; H162-V211 HydrophobicContact CB-CB 3.97Å; H162-V211 WeakPolarHBondContact CB-O 3.29Å; H162-V211 VanDerWaalsContact CD2-C 3.43Å; H162-V211 WeakPolarHBondContact CD2-CB 3.4Å; H162-V211 WeakPolarHBondContact CD2-CG1 3.1Å; H162-V211 PolarHBondContact CD2-O 2.91Å; H162-V211 VanDerWaalsContact CD2-O 3.22Å; H162-V211 WeakPolarHBondContact CE1-CB 3.27Å; H162-V211 WeakPolarHBondContact CE1-CG1 3.23Å; H162-V211 WeakPolarHBondContact ND1-CB 3.22Å; H162-V211 WeakPolarHBondContact NE2-CB 3.31Å; H162-V211 WeakPolarHBondContact NE2-CG1 3.2Å
163C42.6Very low53Low100 Ų10098.2 Ų98.268%0.67653%0.528SS*.SBendtrans-121.8121.4148.5-75.20000107.6E161 P165E161-C163 PolarHBondContact O-N 3.03Å; C163-P165 WeakPolarHBondContact O-CD 3.32Å; C163-P165 VanDerWaalsContact O-N 3.12Å
164V44.4Very low50.2Low67 Ų6796.3 Ų96.341%0.40654%0.535SS..  trans-60.4115.9159.5-176.70000105.5T166 V193V164-T166 PolarHBondContact O-N 3.22Å; V164-T166 VanDerWaalsContact O-N 3.09Å; V164-V193 WeakPolarHBondContact CG1-O 3.03Å
165P35.3Very low47.6Very low101 Ų101101.9 Ų101.966%0.65657%0.573SS**PPolyproline II helixtrans-63.3118.4-168.124.4-32.3000109.1C163C163-P165 WeakPolarHBondContact O-CD 3.32Å; C163-P165 VanDerWaalsContact O-N 3.12Å
166T31Very low45Very low83 Ų83105.3 Ų105.351%0.50961%0.609SS.*PPolyproline II helixtrans-103121.2164.3-43.10000105.7V164 D168 T192V164-T166 PolarHBondContact O-N 3.22Å; V164-T166 VanDerWaalsContact O-N 3.09Å; T166-D168 PolarHBondContact O-N 3.14Å; T166-D168 VanDerWaalsContact O-N 3.17Å; T166-T192 WeakPolarHBondContact OG1-CG2 3.21Å
167M31Very low42.5Very low173 Ų173111 Ų11185%0.85263%0.628SS**PPolyproline II helixtrans-61.2116.5170-63.2-161.7102.700108.3
168D35Very low40.1Very low138 Ų138108.8 Ų108.874%0.73863%0.626SS**  169.1121.7120.6-82.5-31.2000111.8T166T166-D168 PolarHBondContact O-N 3.14Å; T166-D168 VanDerWaalsContact O-N 3.17Å
169Q30.8Very low37.9Very low166 Ų166111 Ų11178%0.77664%0.642SS**  trans73.9107.3145.2-63.6177.4-1.900121.1
170D28.3Very low36.2Very low142 Ų142116.5 Ų116.576%0.75966%0.659SS**  58.5130.7124-60.6-37000121.7
171V31.3Very low34.4Very low139 Ų139114.9 Ų114.984%0.84265%0.646SS**  trans102.1106.3149-158.60000118.4
172S28.2Very low33Very low110 Ų110117.3 Ų117.377%0.76965%0.651SS**  trans88.6114.9140.9-165.40000121
173W24.1Very low32.2Very low255 Ų255122 Ų12297%0.96667%0.668SS**  trans-57.7143.2167.2-65.776.5000113.1
174G25.7Very low32.1Very low70 Ų70126.5 Ų126.572%0.72268%0.676SS**  trans173.8110.8167.500000114.7
175S29.5Very low31.7Very low120 Ų120131.3 Ų131.384%0.83969%0.694SS**  trans9.5122.9152.354.50000119.5
176G26.8Very low31.6Very low74 Ų74130.1 Ų130.176%0.76369%0.688SS**  trans36.3104.9139.300000119.3
177E28.1Very low31.8Very low167 Ų167130.5 Ų130.578%0.7871%0.709SS**  trans-167.1123.5139-105.6167.4-161.500108.5
178C32Very low31.9Very low73 Ų73133.6 Ų133.649%0.49371%0.711SS.*  trans-78.6134.4-169.1-164.50000111.9Y180 E181C178-Y180 HydrophobicContact CB-CD1 3.74Å; C178-Y180 HydrophobicContact CB-CE1 3.98Å; C178-Y180 PolarHBondContact O-N 2.75Å; C178-E181 PolarHBondContact O-N 3.09Å
179S33.9Very low31.8Very low47 Ų47137.6 Ų137.633%0.32972%0.716SS.*Hα-helixtrans-69.14.7-176.4-75.80000116.3E181 R183S179-E181 VanDerWaalsContact C-N 3.31Å; S179-R183 PolarHBondContact O-N 3.36Å
180Y34.5Very low31.9Very low153 Ų153134.2 Ų134.260%0.671%0.706SS**Hα-helixtrans-68.7-31.4171.881.1-95000112.2C178C178-Y180 HydrophobicContact CB-CD1 3.74Å; C178-Y180 HydrophobicContact CB-CE1 3.98Å; C178-Y180 PolarHBondContact O-N 2.75Å
181E33.3Very low32.1Very low110 Ų110136.9 Ų136.951%0.51471%0.706SS.*Hα-helixtrans-75.8-43.1177.9-100.3153.9-163.800111.7C178 S179 R183 K184C178-E181 PolarHBondContact O-N 3.09Å; S179-E181 VanDerWaalsContact C-N 3.31Å; E181-R183 VanDerWaalsContact C-N 3.26Å; E181-R183 PolarHBondContact O-N 3.23Å; E181-K184 PolarHBondContact O-N 3.48Å
182R34.5Very low32.3Very low156 Ų156132.6 Ų132.659%0.58968%0.68SS**Hα-helixtrans-61.9-29.5176-89.9-171.1-96150.7-8.4113.9E185 S186R182-E185 PolarHBondContact O-N 3.37Å; R182-S186 PolarHBondContact O-N 3.02Å
183R36.2Very low32.5Very low117 Ų117131.9 Ų131.944%0.44267%0.671SS.*Hα-helixtrans-82.4-13.4-175.2-141173.9-150.314810.2114.5S179 E181 E185S179-R183 PolarHBondContact O-N 3.36Å; E181-R183 VanDerWaalsContact C-N 3.26Å; E181-R183 PolarHBondContact O-N 3.23Å; R183-E185 VanDerWaalsContact C-N 3.27Å
184K39.8Very low33.1Very low195 Ų195123.2 Ų123.285%0.84865%0.649SS**Hα-helixtrans-72.3-22.4168-91.5-174.7175.7177.90112.8E181E181-K184 PolarHBondContact O-N 3.48Å
185E36.1Very low33.6Very low168 Ų168126.3 Ų126.379%0.78565%0.649SS**Hα-helixtrans-106.7-16-171-69.8-179.7159.700114.2R182 R183R182-E185 PolarHBondContact O-N 3.37Å; R183-E185 VanDerWaalsContact C-N 3.27Å
186S32.9Very low34Very low77 Ų77127.1 Ų127.154%0.53864%0.643SS.*  trans-132.889.8-167.2-600000112.7R182 R188R182-S186 PolarHBondContact O-N 3.02Å; S186-R188 VanDerWaalsContact C-N 3.34Å; S186-R188 PolarHBondContact O-N 2.9Å
187G36.2Very low34.5Very low91 Ų91129.5 Ų129.594%0.93865%0.645SS**  trans-6971.1178.400000115.2
188R32.6Very low35.3Very low237 Ų237126.3 Ų126.389%0.89463%0.633SS**  trans-142.6141.7176.8-127.2171.8-177.1172-0.3115.3S186S186-R188 VanDerWaalsContact C-N 3.34Å; S186-R188 PolarHBondContact O-N 2.9Å
189R33.5Very low35.7Very low223 Ų223130.3 Ų130.384%0.84265%0.65SS**  trans-85.2150-174.3-75.1170.1161.8168.1-4.9112.7
190T33.4Very low36.4Very low95 Ų95133.4 Ų133.458%0.58366%0.662SS**  trans-143164.7161.234.30000113.5E208T190-E208 VanDerWaalsContact C-OE2 3.23Å; T190-E208 WeakPolarHBondContact CB-OE2 3.44Å; T190-E208 PolarHBondContact OG1-OE2 2.79Å
191R31.8Very low37.1Very low198 Ų198132.9 Ų132.975%0.74767%0.665SS**  trans-133.2138.6-164.3-71.6171.1162.1169-5.4108.9E208R191-E208 VanDerWaalsContact CA-OE1 3.29Å; R191-E208 WeakPolarHBondContact CA-OE1 3.06Å; R191-E208 VanDerWaalsContact N-CD 3.33Å; R191-E208 PolarHBondContact N-OE1 3.38Å
192T34.3Very low37.7Very low48 Ų48129.8 Ų129.829%0.29466%0.658SS.*  trans-122.4161.3168.254.60000113.6T166 E208T166-T192 WeakPolarHBondContact OG1-CG2 3.21Å; T192-E208 HydrophobicContact CG2-CG 3.72Å; T192-E208 WeakPolarHBondContact CG2-OE1 3.34Å; T192-E208 PolarHBondContact N-OE1 3.32Å; T192-E208 WeakPolarHBondContact OG1-CG 3.44Å
193V34.4Very low38.4Very low96 Ų96125.4 Ų125.458%0.58264%0.644SS**  trans-124.7160.9-172.9169.90000111.5V164V164-V193 WeakPolarHBondContact CG1-O 3.03Å
194S35Very low38.8Very low72 Ų72127.4 Ų127.450%0.50366%0.656SS.*  trans-36.8153.8-177.259.90000119.2
195D36.3Very low38.9Very low136 Ų136120.8 Ų120.873%0.72764%0.643SS**  -158.9109.766.2-68.7-41.1000113.7
196L38.4Very low39.3Very low137 Ų137115.7 Ų115.772%0.71762%0.621SS**  trans-163.1130.1161.8-97149.5000108.9L198L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 HydrophobicContact CB-CD1 4.49Å; L196-L198 PolarHBondContact O-N 3Å
197P38.1Very low39.8Very low124 Ų124118.8 Ų118.881%0.80562%0.621SS**  trans-79.484.3-179.633.1-30.9000109.2
198L44.3Very low40.5Very low99 Ų99115.9 Ų115.952%0.51858%0.583SS.*  trans-94.593.3169.2-78.9154.1000107.9L196 D200L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 HydrophobicContact CB-CD1 4.49Å; L196-L198 PolarHBondContact O-N 3Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 2.91Å
199N41.1Very low41.5Very low158 Ų158106.1 Ų106.185%0.84555%0.55SS*.  trans-65.787.4169.9-81.2-11.4000109.4
200D48.9Very low42.8Very low111 Ų11197.3 Ų97.359%0.59452%0.52SS*.  trans-155.7112.5159.4-94.9-36.6000109.2L198 A202 F203L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 2.91Å; D200-A202 PolarHBondContact O-N 3.04Å; D200-F203 HydrophobicContact CB-CD2 4.14Å; D200-F203 PolarHBondContact O-N 3.21Å
201E49.3Very low44.2Very low143 Ų14393.6 Ų93.667%0.66850%0.497SS*.G310 helixtrans-50.8-20.7176.6-72.2-73.4151.500113.1F203 K204E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.16Å; E201-K204 IonicContact OE1-NZ 3.68Å; E201-K204 PolarHBondContact OE1-NZ 3.39Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 WeakPolarHBondContact OE2-CE 3.37Å; E201-K204 IonicContact OE2-NZ 3.98Å; E201-K204 PolarHBondContact OE2-NZ 3.1Å
202A44.2Very low45.7Very low44 Ų4487.2 Ų87.236%0.36447%0.473SS..G310 helixtrans-67.2-18.7177.100000114.4D200D200-A202 PolarHBondContact O-N 3.04Å
203F49.8Very low46.9Very low64 Ų6489.9 Ų89.928%0.28148%0.478SS..G310 helixtrans-102.4-1.4-178.4-74-68.6000114.7Y117 D200 E201 G205 L206Y117-F203 HydrophobicContact CD2-CE1 4.42Å; Y117-F203 AromaticContact CD2-CZ 3.97Å; Y117-F203 HydrophobicContact CD2-CZ 3.97Å; D200-F203 HydrophobicContact CB-CD2 4.14Å; D200-F203 PolarHBondContact O-N 3.21Å; E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.16Å; F203-G205 PolarHBondContact O-N 3.29Å; F203-L206 HydrophobicContact CB-CD1 4.22Å; F203-L206 HydrophobicContact CB-CG 4.45Å; F203-L206 HydrophobicContact CD1-CD1 3.31Å; F203-L206 HydrophobicContact CD1-CD2 4.32Å; F203-L206 HydrophobicContact CD1-CG 3.81Å; F203-L206 HydrophobicContact CE1-CD1 4.02Å; F203-L206 HydrophobicContact CG-CD1 4.17Å; F203-L206 PolarHBondContact O-N 3.43Å
204K45.3Very low48.1Very low160 Ų16088.7 Ų88.770%0.69646%0.463SS*.THydrogen-bonded Turntrans-61.1-13.6174.5-89.3-178-176.9164.10114.4E201E201-K204 IonicContact OE1-NZ 3.68Å; E201-K204 PolarHBondContact OE1-NZ 3.39Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 WeakPolarHBondContact OE2-CE 3.37Å; E201-K204 IonicContact OE2-NZ 3.98Å; E201-K204 PolarHBondContact OE2-NZ 3.1Å
205G41.7Very low48.7Very low56 Ų5688.7 Ų88.758%0.57746%0.457SS*.THydrogen-bonded Turntrans-92.6-0.6178.700000116F203 R207F203-G205 PolarHBondContact O-N 3.29Å; G205-R207 PolarHBondContact O-N 2.87Å; G205-R207 VanDerWaalsContact O-N 3.16Å
206L43.9Very low49.2Very low61 Ų6183.7 Ų83.732%0.31943%0.434SS..  trans-76103.7-173.7-70.7-173.7000112.5P106 F203 C209P106-L206 HydrophobicContact CG-CD2 3.9Å; F203-L206 HydrophobicContact CB-CD1 4.22Å; F203-L206 HydrophobicContact CB-CG 4.45Å; F203-L206 HydrophobicContact CD1-CD1 3.31Å; F203-L206 HydrophobicContact CD1-CD2 4.32Å; F203-L206 HydrophobicContact CD1-CG 3.81Å; F203-L206 HydrophobicContact CE1-CD1 4.02Å; F203-L206 HydrophobicContact CG-CD1 4.17Å; F203-L206 PolarHBondContact O-N 3.43Å; L206-C209 VanDerWaalsContact CD2-SG 3.53Å
207R42.6Very low49Very low142 Ų14285.7 Ų85.754%0.53643%0.434SS..SBendtrans-95.5103.7157.3-64.7-173-173.4-151.13.8107.3G205G205-R207 PolarHBondContact O-N 2.87Å; G205-R207 VanDerWaalsContact O-N 3.16Å
208E50.9Low48.7Very low30 Ų3087.2 Ų87.214%0.1444%0.435CS..  trans46.983170.2-41.9-171.2148.200114.8S104 T190 R191 T192 L210S104-E208 VanDerWaalsContact CB-O 3.27Å; S104-E208 WeakPolarHBondContact CB-O 3.33Å; T190-E208 VanDerWaalsContact C-OE2 3.23Å; T190-E208 WeakPolarHBondContact CB-OE2 3.44Å; T190-E208 PolarHBondContact OG1-OE2 2.79Å; R191-E208 VanDerWaalsContact CA-OE1 3.29Å; R191-E208 WeakPolarHBondContact CA-OE1 3.06Å; R191-E208 VanDerWaalsContact N-CD 3.33Å; R191-E208 PolarHBondContact N-OE1 3.38Å; T192-E208 HydrophobicContact CG2-CG 3.72Å; T192-E208 WeakPolarHBondContact CG2-OE1 3.34Å; T192-E208 PolarHBondContact N-OE1 3.32Å; T192-E208 WeakPolarHBondContact OG1-CG 3.44Å; E208-L210 PolarHBondContact O-N 2.68Å
209C54.5Low48Very low31 Ų3185.9 Ų85.921%0.20943%0.428CS..  trans-70.7120.6161.7-80.50000108.5L206L206-C209 VanDerWaalsContact CD2-SG 3.53Å
210L60.4Low47.2Very low39 Ų3982.5 Ų82.520%0.20442%0.415CS..EExtended strand (participates in β ladder)trans-98.8128.2176.7-59.9169.2000106.6D103 E208 Y212D103-L210 PolarHBondContact N-O 3.18Å; D103-L210 PolarHBondContact O-N 2.7Å; E208-L210 PolarHBondContact O-N 2.68Å; L210-Y212 HydrophobicContact CB-CD2 4.29Å; L210-Y212 HydrophobicContact CB-CE1 4.37Å; L210-Y212 HydrophobicContact CB-CE2 3.33Å; L210-Y212 VanDerWaalsContact CB-OH 3.23Å; L210-Y212 WeakPolarHBondContact CB-OH 3.48Å; L210-Y212 WeakPolarHBondContact CD1-OH 3.44Å
211V63.9Low46.2Very low17 Ų1784.1 Ų84.110%0.10343%0.433CS..EExtended strand (participates in β ladder)trans-126.5133.1-176.7-168.70000108.5V100 F101 V102 F118 H162V100-V211 HydrophobicContact CB-CG1 4.48Å; V100-V211 HydrophobicContact CG1-CB 4.45Å; V100-V211 HydrophobicContact CG1-CG1 2.98Å; F101-V211 CarbonylContact O-C 3.51Å; F101-V211 WeakPolarHBondContact O-CA 3.11Å; V102-V211 HydrophobicContact CB-CG1 4.47Å; V102-V211 HydrophobicContact CG1-CG2 4.09Å; V102-V211 HydrophobicContact CG2-CG1 3.73Å; V102-V211 HydrophobicContact CG2-CG2 4.26Å; F118-V211 HydrophobicContact CE1-CG1 4.45Å; F118-V211 HydrophobicContact CZ-CG1 4.46Å; F118-V211 HydrophobicContact CZ-CG2 4.45Å; H162-V211 HydrophobicContact CB-CB 3.97Å; H162-V211 WeakPolarHBondContact CB-O 3.29Å; H162-V211 VanDerWaalsContact CD2-C 3.43Å; H162-V211 WeakPolarHBondContact CD2-CB 3.4Å; H162-V211 WeakPolarHBondContact CD2-CG1 3.1Å; H162-V211 PolarHBondContact CD2-O 2.91Å; H162-V211 VanDerWaalsContact CD2-O 3.22Å; H162-V211 WeakPolarHBondContact CE1-CB 3.27Å; H162-V211 WeakPolarHBondContact CE1-CG1 3.23Å; H162-V211 WeakPolarHBondContact ND1-CB 3.22Å; H162-V211 WeakPolarHBondContact NE2-CB 3.31Å; H162-V211 WeakPolarHBondContact NE2-CG1 3.2Å
212Y61.3Low46.1Very low64 Ų6481.2 Ų81.225%0.25142%0.421SS..EExtended strand (participates in β ladder)trans-129.2137.4-162.4-59.1-81.2000109.2V100 F101 D103 L210 W214V100-Y212 WeakPolarHBondContact CA-O 3.35Å; F101-Y212 AromaticContact CD1-CD2 3.67Å; F101-Y212 HydrophobicContact CD1-CD2 3.67Å; F101-Y212 HydrophobicContact CD1-CE2 4.41Å; F101-Y212 HydrophobicContact CD1-CG 4.38Å; F101-Y212 HydrophobicContact CE1-CD2 4.2Å; F101-Y212 PolarHBondContact N-O 3.44Å; F101-Y212 PolarHBondContact O-N 3.31Å; D103-Y212 HydrophobicContact CB-CE2 4.07Å; L210-Y212 HydrophobicContact CB-CD2 4.29Å; L210-Y212 HydrophobicContact CB-CE1 4.37Å; L210-Y212 HydrophobicContact CB-CE2 3.33Å; L210-Y212 VanDerWaalsContact CB-OH 3.23Å; L210-Y212 WeakPolarHBondContact CB-OH 3.48Å; L210-Y212 WeakPolarHBondContact CD1-OH 3.44Å; Y212-W214 PolarHBondContact O-N 3.21Å
213R61.3Low46.2Very low104 Ų10483.1 Ų83.139%0.39242%0.424SS..EExtended strand (participates in β ladder)trans-63.7126.6165.6-171169.1175.3-179.8-4.1108.8D97 V155 L215D97-R213 IonicContact OD1-NH2 2.68Å; V155-R213 HydrophobicContact CG1-CG 4.03Å; R213-L215 HydrophobicContact CB-CG 4.29Å; R213-L215 HydrophobicContact CG-CD2 3.92Å; R213-L215 HydrophobicContact CG-CG 4.06Å; R213-L215 PolarHBondContact O-N 3.09Å
214W58.2Low45.9Very low70 Ų7084.2 Ų84.227%0.26543%0.432SS..  trans-74.5101.7172.9-171.5-87.4000108.9L32 S99 F101 F146 Y212L32-W214 HydrophobicContact CD1-CZ2 3.75Å; S99-W214 VanDerWaalsContact O-CB 3.31Å; S99-W214 WeakPolarHBondContact O-CB 3.49Å; S99-W214 PolarHBondContact O-N 2.65Å; F101-W214 HydrophobicContact CB-CE3 3.9Å; F101-W214 HydrophobicContact CB-CZ3 4.39Å; F101-W214 HydrophobicContact CD2-CZ3 4.36Å; F101-W214 HydrophobicContact CG-CE3 4.43Å; F101-W214 HydrophobicContact CG-CZ3 4.45Å; F146-W214 HydrophobicContact CD1-CE3 4.32Å; F146-W214 HydrophobicContact CD1-CZ3 4.34Å; F146-W214 AromaticContact CE1-CE3 3.71Å; F146-W214 HydrophobicContact CE1-CE3 3.71Å; F146-W214 AromaticContact CE1-CH2 3.85Å; F146-W214 HydrophobicContact CE1-CH2 3.85Å; F146-W214 AromaticContact CE1-CZ3 3.34Å; F146-W214 HydrophobicContact CE1-CZ3 3.34Å; F146-W214 HydrophobicContact CZ-CH2 4.23Å; F146-W214 HydrophobicContact CZ-CZ3 4.02Å; Y212-W214 PolarHBondContact O-N 3.21Å
215L49Very low46Very low73 Ų7379.7 Ų79.738%0.38242%0.417SS..  trans-99.2111.7179.1-63.9161000108.9R213 Y217R213-L215 HydrophobicContact CB-CG 4.29Å; R213-L215 HydrophobicContact CG-CD2 3.92Å; R213-L215 HydrophobicContact CG-CG 4.06Å; R213-L215 PolarHBondContact O-N 3.09Å; L215-Y217 HydrophobicContact CB-CD2 3.33Å; L215-Y217 HydrophobicContact CB-CE2 3.21Å; L215-Y217 HydrophobicContact CB-CG 4.15Å; L215-Y217 HydrophobicContact CD1-CD2 4.2Å; L215-Y217 HydrophobicContact CD1-CE2 3.26Å; L215-Y217 HydrophobicContact CD2-CE2 3.99Å; L215-Y217 HydrophobicContact CG-CD2 4.24Å; L215-Y217 HydrophobicContact CG-CE2 3.6Å; L215-Y217 PolarHBondContact O-N 2.94Å
216A45Very low46.3Very low31 Ų3181.2 Ų81.226%0.25641%0.407SS..  trans-78.159.5174.400000110.5W96 N218 L219W96-A216 HydrophobicContact CB-CB 4.28Å; W96-A216 HydrophobicContact CD2-CB 3.75Å; W96-A216 HydrophobicContact CE3-CB 3.2Å; W96-A216 HydrophobicContact CG-CB 4.24Å; W96-A216 HydrophobicContact CZ3-CB 3.72Å; A216-N218 PolarHBondContact O-N 3Å; A216-L219 HydrophobicContact CB-CD1 4.18Å
217Y35.1Very low46.4Very low178 Ų17882.5 Ų82.570%0.69841%0.413SS*.THydrogen-bonded Turntrans-69.91.6-174.9-78.1-57.5000115.2L215L215-Y217 HydrophobicContact CB-CD2 3.33Å; L215-Y217 HydrophobicContact CB-CE2 3.21Å; L215-Y217 HydrophobicContact CB-CG 4.15Å; L215-Y217 HydrophobicContact CD1-CD2 4.2Å; L215-Y217 HydrophobicContact CD1-CE2 3.26Å; L215-Y217 HydrophobicContact CD2-CE2 3.99Å; L215-Y217 HydrophobicContact CG-CD2 4.24Å; L215-Y217 HydrophobicContact CG-CE2 3.6Å; L215-Y217 PolarHBondContact O-N 2.94Å
218N31.4Very low46.7Very low156 Ų15678.3 Ų78.383%0.83440%0.404SS*.THydrogen-bonded Turntrans-147.124.3-176.9-83.2-52.4000114.8A216A216-N218 PolarHBondContact O-N 3Å
219L30.2Very low46.4Very low71 Ų7182 Ų8237%0.37242%0.424SS..  trans-115.1111.7178.8-70.3156.9000110.3L32 W96 A216 C221L32-L219 HydrophobicContact CD2-CD1 3.37Å; L32-L219 HydrophobicContact CD2-CD2 3.69Å; L32-L219 HydrophobicContact CD2-CG 4.17Å; W96-L219 HydrophobicContact CH2-CB 3.48Å; W96-L219 VanDerWaalsContact CH2-CB 3.48Å; W96-L219 HydrophobicContact CH2-CD1 3.71Å; W96-L219 HydrophobicContact CH2-CG 4.16Å; W96-L219 HydrophobicContact CZ2-CB 4.36Å; W96-L219 HydrophobicContact CZ2-CD1 3.76Å; W96-L219 HydrophobicContact CZ3-CB 3.71Å; W96-L219 HydrophobicContact CZ3-CD1 4.2Å; A216-L219 HydrophobicContact CB-CD1 4.18Å; L219-C221 PolarHBondContact O-N 3.17Å
220P24.6Very low45.7Very low88 Ų8886.3 Ų86.357%0.57144%0.442SS*.  trans-67.9127.7171.427.8-30.6000108.6
221C27.5Very low44.3Very low144 Ų14490.5 Ų90.597%0.97346%0.463SS*.  trans-53.80160.2-63.70000110.6L219L219-C221 PolarHBondContact O-N 3.17Å

Retrieved 221 of 221 residues in 140.8 ms (Link to these results)

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