A0A077ZJD5_TRITR Loading...

Caenorhabditis elegans ly 6 protein

AlphaFold DB , UniProt , Accession A0A077ZJD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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
1M71.1Confident85.9Confident91 Ų9137.3 Ų37.345%0.44820%0.202SC..  0161.20-178.116152.200110.7K44 C45 T47 M48 C49M1-K44 WeakPolarHBondContact O-CA 3.42Å; M1-C45 PolarHBondContact N-O 2Å; M1-C45 VanDerWaalsContact N-O 3.12Å; M1-C45 PolarHBondContact O-N 3.17Å; M1-T47 VanDerWaalsContact CE-O 3.23Å; M1-T47 WeakPolarHBondContact CE-O 3.13Å; M1-M48 HydrophobicContact CE-CB 4.21Å; M1-C49 HydrophobicContact CE-CB 4.48Å; M1-C49 VanDerWaalsContact CE-N 3.28Å; M1-C49 VanDerWaalsContact SD-SG 3.68Å
2Q80.4Confident86.1Confident116 Ų11641 Ų4154%0.54222%0.215SC..EExtended strand (participates in β ladder)trans-108.7124.4170.9-70.2-172.38.600110.3K42 S43Q2-K42 HydrophobicContact CB-CB 4.41Å; Q2-S43 CarbonylContact C-O 3.53Å; Q2-S43 WeakPolarHBondContact CA-O 3.28Å
3C79Confident85.9Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-111.8133.8179.8-41.90000110.4T5 K42 S43 C45 C49C3-T5 PolarHBondContact O-N 3.12Å; C3-T5 PolarHBondContact O-OG1 3.31Å; C3-T5 VanDerWaalsContact O-OG1 3.08Å; C3-K42 CarbonylContact O-C 3.53Å; C3-K42 WeakPolarHBondContact O-CA 3.29Å; C3-S43 PolarHBondContact N-O 3.3Å; C3-S43 PolarHBondContact O-N 3.02Å; C3-C45 WeakPolarHBondContact CB-SG 3.46Å; C3-C45 PolarHBondContact N-SG 2.86Å; C3-C45 VanDerWaalsContact N-SG 3.41Å; C3-C45 WeakPolarHBondContact SG-CB 3.26Å; C3-C45 CovalentContact SG-SG 2Å; C3-C45 PolarHBondContact SG-SG 3.16Å; C3-C49 HydrophobicContact CB-CB 3.98Å; C3-C49 VanDerWaalsContact CB-SG 3.55Å; C3-C49 WeakPolarHBondContact SG-CA 3.32Å; C3-C49 PolarHBondContact SG-SG 2.88Å
4P85.3Confident85.3Confident49 Ų4949.9 Ų49.932%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-51.5130.4160.8-22.433.2000109.4R69 G70P4-R69 HydrophobicContact CB-CB 4.41Å; P4-R69 CarbonylContact O-C 3.53Å; P4-R69 WeakPolarHBondContact O-CB 3.36Å; P4-G70 WeakPolarHBondContact O-CA 3.45Å; P4-G70 PolarHBondContact O-N 3.35Å; P4-G70 VanDerWaalsContact O-N 3.13Å
5T88.4Confident84.9Confident8 Ų848.1 Ų48.15%0.04925%0.251CS..  trans-122.9109.5-175.8-53.10000108.7C3 M24 Q28 S41 S43 R69C3-T5 PolarHBondContact O-N 3.12Å; C3-T5 PolarHBondContact O-OG1 3.31Å; C3-T5 VanDerWaalsContact O-OG1 3.08Å; T5-M24 HydrophobicContact CG2-CE 4.14Å; T5-Q28 HydrophobicContact CG2-CG 4.37Å; T5-S41 WeakPolarHBondContact CA-O 3.47Å; T5-S41 VanDerWaalsContact CB-O 3.28Å; T5-S41 WeakPolarHBondContact CB-O 3.33Å; T5-S41 PolarHBondContact N-O 2.74Å; T5-S41 VanDerWaalsContact O-CB 3.26Å; T5-S41 WeakPolarHBondContact O-CB 3.43Å; T5-S41 PolarHBondContact O-OG 3.2Å; T5-S43 VanDerWaalsContact OG1-CB 3.29Å; T5-S43 WeakPolarHBondContact OG1-CB 3.32Å; T5-S43 PolarHBondContact OG1-OG 3.41Å; T5-R69 CarbonylContact C-O 3.55Å; T5-R69 VanDerWaalsContact CA-O 3.24Å; T5-R69 WeakPolarHBondContact CA-O 3.22Å
6C91.4Very high84.3Confident7 Ų751.1 Ų51.15%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-166164.2177.362.10000111.7Q28 C33 R69C6-Q28 CarbonylContact C-O 3.49Å; C6-Q28 VanDerWaalsContact CA-O 3.22Å; C6-Q28 WeakPolarHBondContact CA-O 3.3Å; C6-C33 HydrophobicContact CB-CB 3.67Å; C6-C33 WeakPolarHBondContact CB-SG 3.22Å; C6-C33 PolarHBondContact O-SG 3.12Å; C6-C33 WeakPolarHBondContact SG-CA 3.46Å; C6-C33 WeakPolarHBondContact SG-CB 3.19Å; C6-C33 PolarHBondContact SG-O 2.83Å; C6-C33 CovalentContact SG-SG 2.04Å; C6-C33 PolarHBondContact SG-SG 3.17Å; C6-R69 PolarHBondContact N-O 3.16Å; C6-R69 PolarHBondContact O-N 2.94Å; C6-R69 VanDerWaalsContact O-O 3.08Å
7A91.1Very high83.4Confident0 Ų048.5 Ų48.50%025%0.25CS..EExtended strand (participates in β ladder)trans-134.2151.3164.100000111L11 W15 M24 Q28 F29 N30 C33 Y67 V68A7-L11 HydrophobicContact CB-CD1 4.4Å; A7-W15 HydrophobicContact CB-CZ3 3.97Å; A7-M24 HydrophobicContact CB-SD 3.83Å; A7-Q28 PolarHBondContact N-O 3.03Å; A7-F29 HydrophobicContact CB-CD1 3.61Å; A7-F29 HydrophobicContact CB-CE1 3.63Å; A7-F29 HydrophobicContact CB-CG 4.27Å; A7-F29 HydrophobicContact CB-CZ 4.3Å; A7-F29 CarbonylContact O-C 3.6Å; A7-F29 VanDerWaalsContact O-CA 3.26Å; A7-F29 WeakPolarHBondContact O-CA 3.06Å; A7-N30 PolarHBondContact O-N 3.45Å; A7-C33 PolarHBondContact N-SG 3.3Å; A7-Y67 CarbonylContact C-O 3.51Å; A7-Y67 VanDerWaalsContact CA-O 3.29Å; A7-Y67 WeakPolarHBondContact CA-O 3.29Å; A7-V68 HydrophobicContact CB-CG2 4.44Å
8S91.6Very high82.8Confident10 Ų1046.3 Ų46.37%0.0724%0.239CC..  trans-64.6141.4170.3-70.60000110.9G10 L11 Y67S8-G10 PolarHBondContact O-N 2.93Å; S8-G10 VanDerWaalsContact O-N 3.13Å; S8-L11 WeakPolarHBondContact O-CB 3.26Å; S8-L11 PolarHBondContact O-N 3.23Å; S8-Y67 PolarHBondContact N-O 2.72Å; S8-Y67 PolarHBondContact OG-N 3.32Å
9E91.3Very high82.1Confident103 Ų10349.2 Ų49.248%0.48126%0.264SS..G310 helixtrans-53.1-36.3-179.9-77.6173.5-163.900113.8L11 K12 A31E9-L11 PolarHBondContact O-N 3.24Å; E9-K12 WeakPolarHBondContact O-CB 3.39Å; E9-K12 WeakPolarHBondContact O-CG 3.09Å; E9-K12 PolarHBondContact O-N 3.23Å; E9-A31 PolarHBondContact OE1-N 3.29Å; E9-A31 VanDerWaalsContact OE1-N 3.14Å
10G87.2Confident81.8Confident26 Ų2647.9 Ų47.927%0.26826%0.256SS..G310 helixtrans-59.2-16.7176.700000114.6S8 N14S8-G10 PolarHBondContact O-N 2.93Å; S8-G10 VanDerWaalsContact O-N 3.13Å; G10-N14 WeakPolarHBondContact O-CB 3.49Å; G10-N14 PolarHBondContact O-ND2 3.12Å
11L87.8Confident81.4Confident0 Ų050.1 Ų50.10%027%0.273CS..G310 helixtrans-86.8-4.9176-64.6173.7000114A7 S8 E9 D13 N14 W15 L17 T18 F29 L54 L66 Y67 V68A7-L11 HydrophobicContact CB-CD1 4.4Å; S8-L11 WeakPolarHBondContact O-CB 3.26Å; S8-L11 PolarHBondContact O-N 3.23Å; E9-L11 PolarHBondContact O-N 3.24Å; L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 3.46Å; L11-N14 CarbonylContact O-C 3.54Å; L11-N14 PolarHBondContact O-N 3.06Å; L11-W15 HydrophobicContact CB-CE3 4.3Å; L11-W15 WeakPolarHBondContact O-CA 3.22Å; L11-W15 PolarHBondContact O-N 3.2Å; L11-L17 HydrophobicContact CD2-CB 4.4Å; L11-T18 HydrophobicContact CD1-CG2 3.97Å; L11-T18 HydrophobicContact CD2-CG2 3.94Å; L11-F29 HydrophobicContact CB-CE1 4.02Å; L11-L54 HydrophobicContact CD2-CD1 3.97Å; L11-L66 HydrophobicContact CD1-CB 4.22Å; L11-L66 HydrophobicContact CD2-CB 4.18Å; L11-L66 HydrophobicContact CD2-CD1 3.67Å; L11-L66 HydrophobicContact CG-CB 4.04Å; L11-L66 HydrophobicContact CG-CD1 4.03Å; L11-Y67 WeakPolarHBondContact CD1-O 3.37Å; L11-V68 HydrophobicContact CD1-CG2 3.2Å
12K89.3Confident81.8Confident82 Ų8253 Ų5336%0.35728%0.279SS..SBendtrans-56.9-45.2176.3-78.6-172.2177.1-175.50111.7E9 K23 F29E9-K12 WeakPolarHBondContact O-CB 3.39Å; E9-K12 WeakPolarHBondContact O-CG 3.09Å; E9-K12 PolarHBondContact O-N 3.23Å; K12-K23 PolarHBondContact O-NZ 2.73Å; K12-F29 HydrophobicContact CB-CD1 4.38Å; K12-F29 HydrophobicContact CD-CB 4.17Å; K12-F29 HydrophobicContact CD-CG 4.32Å; K12-F29 HydrophobicContact CG-CB 3.85Å; K12-F29 HydrophobicContact CG-CD1 3.46Å; K12-F29 VanDerWaalsContact CG-CD1 3.46Å; K12-F29 HydrophobicContact CG-CD2 4.12Å; K12-F29 HydrophobicContact CG-CE1 4Å; K12-F29 HydrophobicContact CG-CG 3.53Å
13D82.7Confident82.1Confident145 Ų14552 Ų5278%0.77527%0.272SS*.SBendtrans-98.3-13.9179.5-55.3-41.1000112.4L11L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 3.46Å
14N77.2Confident82.5Confident61 Ų6152.8 Ų52.833%0.32628%0.276SS..  trans-11629.3-175.7-60.1-73.3000113G10 L11 H16 L17G10-N14 WeakPolarHBondContact O-CB 3.49Å; G10-N14 PolarHBondContact O-ND2 3.12Å; L11-N14 CarbonylContact O-C 3.54Å; L11-N14 PolarHBondContact O-N 3.06Å; N14-H16 PolarHBondContact O-N 3.38Å; N14-H16 VanDerWaalsContact O-N 3.17Å; N14-L17 HydrophobicContact CB-CD1 3.61Å; N14-L17 HydrophobicContact CB-CG 3.87Å; N14-L17 WeakPolarHBondContact O-CB 3.15Å; N14-L17 WeakPolarHBondContact O-CG 3.47Å; N14-L17 PolarHBondContact O-N 2.97Å
15W80.2Confident82.7Confident23 Ų2355.4 Ų55.49%0.08729%0.288CS..G310 helixtrans-58.3-33.5-176.6-173.4-98.8000113.1A7 L11 L17 T18 F20 R22 K23 M24 F29 V68 L75A7-W15 HydrophobicContact CB-CZ3 3.97Å; L11-W15 HydrophobicContact CB-CE3 4.3Å; L11-W15 WeakPolarHBondContact O-CA 3.22Å; L11-W15 PolarHBondContact O-N 3.2Å; W15-L17 PolarHBondContact O-N 2.99Å; W15-T18 HydrophobicContact CD2-CG2 4.28Å; W15-T18 HydrophobicContact CE3-CG2 4.21Å; W15-T18 HydrophobicContact CZ3-CG2 4.38Å; W15-T18 WeakPolarHBondContact O-CB 3.4Å; W15-T18 WeakPolarHBondContact O-CG2 3.39Å; W15-T18 PolarHBondContact O-N 3.37Å; W15-T18 PolarHBondContact O-OG1 2.87Å; W15-F20 HydrophobicContact CZ2-CB 3.87Å; W15-F20 HydrophobicContact CZ2-CD2 4.28Å; W15-F20 PolarHBondContact NE1-O 2.87Å; W15-R22 WeakPolarHBondContact CZ2-O 3.37Å; W15-R22 PolarHBondContact NE1-O 2.93Å; W15-K23 HydrophobicContact CB-CD 4.37Å; W15-K23 HydrophobicContact CB-CG 4.3Å; W15-K23 HydrophobicContact CD2-CB 4.08Å; W15-K23 HydrophobicContact CD2-CG 3.77Å; W15-K23 VanDerWaalsContact CE2-CA 3.45Å; W15-K23 HydrophobicContact CE3-CG 4.02Å; W15-K23 HydrophobicContact CG-CB 4.03Å; W15-K23 HydrophobicContact CG-CD 4.42Å; W15-K23 HydrophobicContact CG-CG 3.85Å; W15-M24 HydrophobicContact CH2-CB 4.21Å; W15-M24 HydrophobicContact CH2-CG 3.76Å; W15-M24 HydrophobicContact CH2-SD 4.04Å; W15-M24 HydrophobicContact CZ3-CB 4.33Å; W15-M24 HydrophobicContact CZ3-CG 4.28Å; W15-M24 HydrophobicContact CZ3-SD 4.37Å; W15-F29 AromaticContact CE3-CE1 3.92Å; W15-F29 HydrophobicContact CE3-CE1 3.92Å; W15-F29 AromaticContact CE3-CZ 3.8Å; W15-F29 HydrophobicContact CE3-CZ 3.8Å; W15-F29 HydrophobicContact CZ3-CE1 4.03Å; W15-F29 AromaticContact CZ3-CZ 3.91Å; W15-F29 HydrophobicContact CZ3-CZ 3.91Å; W15-V68 HydrophobicContact CH2-CG1 3.9Å; W15-V68 HydrophobicContact CH2-CG2 4.29Å; W15-V68 HydrophobicContact CZ3-CG1 4.47Å; W15-V68 HydrophobicContact CZ3-CG2 4.18Å; W15-L75 HydrophobicContact CH2-CD2 3.91Å; W15-L75 HydrophobicContact CZ2-CD2 3.86Å
16H74.2Confident82.7Confident97 Ų9760.1 Ų60.145%0.44931%0.313SS..G310 helixtrans-54.2-24.6176.565.3-83.9000113.4N14 T18 S19N14-H16 PolarHBondContact O-N 3.38Å; N14-H16 VanDerWaalsContact O-N 3.17Å; H16-T18 PolarHBondContact O-N 3.02Å; H16-S19 PolarHBondContact O-N 2.91Å
17L69.7Low82.6Confident7 Ų766.1 Ų66.14%0.03734%0.344CS..G310 helixtrans-65-24.8176.3-60.1-170.4000113.7L11 N14 W15 S19 L54 I56 F96L11-L17 HydrophobicContact CD2-CB 4.4Å; N14-L17 HydrophobicContact CB-CD1 3.61Å; N14-L17 HydrophobicContact CB-CG 3.87Å; N14-L17 WeakPolarHBondContact O-CB 3.15Å; N14-L17 WeakPolarHBondContact O-CG 3.47Å; N14-L17 PolarHBondContact O-N 2.97Å; W15-L17 PolarHBondContact O-N 2.99Å; L17-S19 VanDerWaalsContact C-N 3.3Å; L17-L54 HydrophobicContact CB-CD1 4.04Å; L17-I56 HydrophobicContact CD1-CG2 3.99Å; L17-F96 HydrophobicContact CD1-CE2 4.19Å; L17-F96 HydrophobicContact CD2-CB 4.2Å; L17-F96 HydrophobicContact CD2-CD1 4.29Å; L17-F96 HydrophobicContact CD2-CD2 3.03Å; L17-F96 HydrophobicContact CD2-CE2 3.24Å; L17-F96 HydrophobicContact CD2-CG 3.58Å; L17-F96 HydrophobicContact CD2-CZ 4.05Å; L17-F96 HydrophobicContact CG-CD2 4.38Å; L17-F96 HydrophobicContact CG-CE2 4.3Å
18T72.8Confident82.5Confident8 Ų867.9 Ų67.95%0.04935%0.353CS..G310 helixtrans-79.3-18.2-178.471.40000112.5L11 W15 H16 F20 L52 L54 V68L11-T18 HydrophobicContact CD1-CG2 3.97Å; L11-T18 HydrophobicContact CD2-CG2 3.94Å; W15-T18 HydrophobicContact CD2-CG2 4.28Å; W15-T18 HydrophobicContact CE3-CG2 4.21Å; W15-T18 HydrophobicContact CZ3-CG2 4.38Å; W15-T18 WeakPolarHBondContact O-CB 3.4Å; W15-T18 WeakPolarHBondContact O-CG2 3.39Å; W15-T18 PolarHBondContact O-N 3.37Å; W15-T18 PolarHBondContact O-OG1 2.87Å; H16-T18 PolarHBondContact O-N 3.02Å; T18-F20 PolarHBondContact O-N 2.95Å; T18-F20 VanDerWaalsContact O-N 3.09Å; T18-F20 PolarHBondContact OG1-N 3.47Å; T18-F20 VanDerWaalsContact OG1-N 3.11Å; T18-L52 HydrophobicContact CG2-CD2 4.35Å; T18-L54 HydrophobicContact CG2-CD1 4.09Å; T18-V68 HydrophobicContact CG2-CG2 3.56Å
19S70.1Confident82.5Confident101 Ų10167.9 Ų67.971%0.70635%0.351SS*.  trans59.24.6-168-52.60000115.2H16 L17H16-S19 PolarHBondContact O-N 2.91Å; L17-S19 VanDerWaalsContact C-N 3.3Å
20F75Confident82.4Confident23 Ų2364 Ų6410%0.10133%0.334CS..  trans-76129.5175.1-68.2-53000110.9W15 T18 R22 V50 L52 V68 L72 L75 L76W15-F20 HydrophobicContact CZ2-CB 3.87Å; W15-F20 HydrophobicContact CZ2-CD2 4.28Å; W15-F20 PolarHBondContact NE1-O 2.87Å; T18-F20 PolarHBondContact O-N 2.95Å; T18-F20 VanDerWaalsContact O-N 3.09Å; T18-F20 PolarHBondContact OG1-N 3.47Å; T18-F20 VanDerWaalsContact OG1-N 3.11Å; F20-R22 VanDerWaalsContact C-N 3.28Å; F20-R22 PolarHBondContact O-N 2.87Å; F20-V50 HydrophobicContact CE2-CG1 4.45Å; F20-V50 HydrophobicContact CZ-CG1 3.9Å; F20-L52 HydrophobicContact CE2-CB 4.46Å; F20-L52 HydrophobicContact CE2-CD2 3.83Å; F20-V68 HydrophobicContact CD2-CG1 4.24Å; F20-V68 HydrophobicContact CE2-CB 4.48Å; F20-V68 HydrophobicContact CE2-CG1 4.11Å; F20-L72 HydrophobicContact CE1-CD1 4.32Å; F20-L75 HydrophobicContact CB-CB 4.37Å; F20-L75 HydrophobicContact CB-CD2 4.37Å; F20-L75 HydrophobicContact CD1-CB 3.73Å; F20-L75 HydrophobicContact CD2-CB 4.28Å; F20-L75 HydrophobicContact CD2-CD1 4.13Å; F20-L75 HydrophobicContact CD2-CD2 3.86Å; F20-L75 HydrophobicContact CD2-CG 4.32Å; F20-L75 HydrophobicContact CE1-CB 4.07Å; F20-L75 HydrophobicContact CE1-CD1 4.33Å; F20-L75 HydrophobicContact CE2-CD1 3.83Å; F20-L75 HydrophobicContact CE2-CD2 4.38Å; F20-L75 HydrophobicContact CG-CB 3.87Å; F20-L75 HydrophobicContact CG-CD2 4.09Å; F20-L75 HydrophobicContact CG-CG 4.39Å; F20-L75 HydrophobicContact CZ-CD1 3.96Å; F20-L76 HydrophobicContact CD1-CD2 4Å; F20-L76 HydrophobicContact CE1-CD2 4.32Å
21P72.9Confident82.3Confident95 Ų9566.5 Ų66.562%0.61735%0.352SS*.SBendtrans-68.2-26.9-177.627.3-35.8000113L75 L76P21-L75 VanDerWaalsContact CD-O 3.3Å; P21-L75 WeakPolarHBondContact CD-O 3.42Å; P21-L76 WeakPolarHBondContact CG-O 3.2Å
22R80.9Confident82.2Confident152 Ų15271.9 Ų71.957%0.57438%0.375SS*.SBendtrans-107.4123.5178.7-67.5-163.7177.8-166.81.8111.4W15 F20 L75W15-R22 WeakPolarHBondContact CZ2-O 3.37Å; W15-R22 PolarHBondContact NE1-O 2.93Å; F20-R22 VanDerWaalsContact C-N 3.28Å; F20-R22 PolarHBondContact O-N 2.87Å; R22-L75 PolarHBondContact N-O 3.35Å
23K86.8Confident82Confident94 Ų9468.1 Ų68.141%0.40936%0.359SS..PPolyproline II helixtrans-71.1144169.1-167.7178.8167.6-177.90110.2K12 W15 D26 F29K12-K23 PolarHBondContact O-NZ 2.73Å; W15-K23 HydrophobicContact CB-CD 4.37Å; W15-K23 HydrophobicContact CB-CG 4.3Å; W15-K23 HydrophobicContact CD2-CB 4.08Å; W15-K23 HydrophobicContact CD2-CG 3.77Å; W15-K23 VanDerWaalsContact CE2-CA 3.45Å; W15-K23 HydrophobicContact CE3-CG 4.02Å; W15-K23 HydrophobicContact CG-CB 4.03Å; W15-K23 HydrophobicContact CG-CD 4.42Å; W15-K23 HydrophobicContact CG-CG 3.85Å; K23-D26 IonicContact NZ-OD1 3.3Å; K23-F29 HydrophobicContact CD-CZ 4.24Å; K23-F29 HydrophobicContact CG-CE2 4.29Å; K23-F29 HydrophobicContact CG-CZ 3.84Å
24M87.5Confident81.7Confident17 Ų1762.1 Ų62.18%0.08433%0.332CS..PPolyproline II helixtrans-66.9162169.7-78.3176.3165.200111.9T5 A7 W15 Q28 F29 V68 R69 L75T5-M24 HydrophobicContact CG2-CE 4.14Å; A7-M24 HydrophobicContact CB-SD 3.83Å; W15-M24 HydrophobicContact CH2-CB 4.21Å; W15-M24 HydrophobicContact CH2-CG 3.76Å; W15-M24 HydrophobicContact CH2-SD 4.04Å; W15-M24 HydrophobicContact CZ3-CB 4.33Å; W15-M24 HydrophobicContact CZ3-CG 4.28Å; W15-M24 HydrophobicContact CZ3-SD 4.37Å; M24-Q28 HydrophobicContact CB-CB 4.19Å; M24-Q28 VanDerWaalsContact CB-OE1 3.3Å; M24-F29 HydrophobicContact CB-CE2 4Å; M24-F29 HydrophobicContact CB-CZ 4.22Å; M24-F29 WeakPolarHBondContact O-CE2 3.37Å; M24-V68 HydrophobicContact CE-CG1 3.83Å; M24-V68 HydrophobicContact SD-CG1 4.13Å; M24-R69 WeakPolarHBondContact CE-O 3.46Å; M24-L75 HydrophobicContact CE-CD1 4.48Å; M24-L75 HydrophobicContact CE-CD2 3.72Å; M24-L75 HydrophobicContact CE-CG 4.33Å; M24-L75 HydrophobicContact CG-CD2 4.31Å
25D89.4Confident81.6Confident104 Ų10462.9 Ų62.956%0.55634%0.336SS*.PPolyproline II helixtrans-67.1147.8173.3-60.5-46000110.2D27 Q28 F29D25-D27 WeakPolarHBondContact CB-OD1 3.43Å; D25-D27 PolarHBondContact O-N 3.11Å; D25-D27 VanDerWaalsContact O-N 3.12Å; D25-Q28 HydrophobicContact CB-CG 4.37Å; D25-Q28 WeakPolarHBondContact O-CB 3.48Å; D25-Q28 PolarHBondContact O-N 2.95Å; D25-F29 WeakPolarHBondContact O-CD2 3.48Å
26D87.9Confident80.6Confident108 Ų10868.7 Ų68.758%0.57837%0.368SS*.G310 helixtrans-61.9-25.1-171-80.5-22.2000113.9K23 Q28K23-D26 IonicContact NZ-OD1 3.3Å; D26-Q28 VanDerWaalsContact C-N 3.3Å
27D89.1Confident79.4Confident133 Ų13368.8 Ų68.871%0.71138%0.38SS*.G310 helixtrans-75.4-15.617667.7-34.2000113.5D25 F29D25-D27 WeakPolarHBondContact CB-OD1 3.43Å; D25-D27 PolarHBondContact O-N 3.11Å; D25-D27 VanDerWaalsContact O-N 3.12Å; D27-F29 VanDerWaalsContact C-N 3.34Å
28Q89.9Confident78.8Confident37 Ų3773.2 Ų73.217%0.17340%0.396CS..G310 helixtrans-84.2-12.1176.7-62.9172.1-1.800112.4T5 C6 A7 M24 D25 D26 N30T5-Q28 HydrophobicContact CG2-CG 4.37Å; C6-Q28 CarbonylContact C-O 3.49Å; C6-Q28 VanDerWaalsContact CA-O 3.22Å; C6-Q28 WeakPolarHBondContact CA-O 3.3Å; A7-Q28 PolarHBondContact N-O 3.03Å; M24-Q28 HydrophobicContact CB-CB 4.19Å; M24-Q28 VanDerWaalsContact CB-OE1 3.3Å; D25-Q28 HydrophobicContact CB-CG 4.37Å; D25-Q28 WeakPolarHBondContact O-CB 3.48Å; D25-Q28 PolarHBondContact O-N 2.95Å; D26-Q28 VanDerWaalsContact C-N 3.3Å; Q28-N30 PolarHBondContact O-ND2 3.02Å
29F91.7Very high77.9Confident10 Ų1079.3 Ų79.34%0.04442%0.424CS..BIsolated β-bridgetrans-83.1122.2175.6-67.4-94.7000111.3A7 L11 K12 W15 K23 M24 D25 D27A7-F29 HydrophobicContact CB-CD1 3.61Å; A7-F29 HydrophobicContact CB-CE1 3.63Å; A7-F29 HydrophobicContact CB-CG 4.27Å; A7-F29 HydrophobicContact CB-CZ 4.3Å; A7-F29 CarbonylContact O-C 3.6Å; A7-F29 VanDerWaalsContact O-CA 3.26Å; A7-F29 WeakPolarHBondContact O-CA 3.06Å; L11-F29 HydrophobicContact CB-CE1 4.02Å; K12-F29 HydrophobicContact CB-CD1 4.38Å; K12-F29 HydrophobicContact CD-CB 4.17Å; K12-F29 HydrophobicContact CD-CG 4.32Å; K12-F29 HydrophobicContact CG-CB 3.85Å; K12-F29 HydrophobicContact CG-CD1 3.46Å; K12-F29 VanDerWaalsContact CG-CD1 3.46Å; K12-F29 HydrophobicContact CG-CD2 4.12Å; K12-F29 HydrophobicContact CG-CE1 4Å; K12-F29 HydrophobicContact CG-CG 3.53Å; W15-F29 AromaticContact CE3-CE1 3.92Å; W15-F29 HydrophobicContact CE3-CE1 3.92Å; W15-F29 AromaticContact CE3-CZ 3.8Å; W15-F29 HydrophobicContact CE3-CZ 3.8Å; W15-F29 HydrophobicContact CZ3-CE1 4.03Å; W15-F29 AromaticContact CZ3-CZ 3.91Å; W15-F29 HydrophobicContact CZ3-CZ 3.91Å; K23-F29 HydrophobicContact CD-CZ 4.24Å; K23-F29 HydrophobicContact CG-CE2 4.29Å; K23-F29 HydrophobicContact CG-CZ 3.84Å; M24-F29 HydrophobicContact CB-CE2 4Å; M24-F29 HydrophobicContact CB-CZ 4.22Å; M24-F29 WeakPolarHBondContact O-CE2 3.37Å; D25-F29 WeakPolarHBondContact O-CD2 3.48Å; D27-F29 VanDerWaalsContact C-N 3.34Å
30N88.4Confident77.3Confident21 Ų2181.6 Ų81.611%0.11243%0.429CS..  trans-154.1155.5178.664.381.4000112.6A7 Q28 K32 C33 R38A7-N30 PolarHBondContact O-N 3.45Å; Q28-N30 PolarHBondContact O-ND2 3.02Å; N30-K32 PolarHBondContact O-N 3.31Å; N30-K32 VanDerWaalsContact OD1-C 3.27Å; N30-K32 WeakPolarHBondContact OD1-CA 3.36Å; N30-K32 PolarHBondContact OD1-N 3.17Å; N30-K32 VanDerWaalsContact OD1-N 3.08Å; N30-C33 PolarHBondContact OD1-N 3.09Å; N30-R38 VanDerWaalsContact CG-NH1 3.25Å; N30-R38 PolarHBondContact OD1-NH1 2.9Å
31A85.5Confident77.1Confident78 Ų7882.4 Ų82.465%0.64544%0.437SS*.THydrogen-bonded Turntrans-61.7-21.3178.800000114.7E9E9-A31 PolarHBondContact OE1-N 3.29Å; E9-A31 VanDerWaalsContact OE1-N 3.14Å
32K84.7Confident77.4Confident114 Ų11482.1 Ų82.150%0.49643%0.426SS..THydrogen-bonded Turntrans-100.813.7-172.5-61.8-169.1178.9-1730114.3N30 G34 D35N30-K32 PolarHBondContact O-N 3.31Å; N30-K32 VanDerWaalsContact OD1-C 3.27Å; N30-K32 WeakPolarHBondContact OD1-CA 3.36Å; N30-K32 PolarHBondContact OD1-N 3.17Å; N30-K32 VanDerWaalsContact OD1-N 3.08Å; K32-G34 PolarHBondContact O-N 2.83Å; K32-G34 VanDerWaalsContact O-N 3.11Å; K32-D35 HydrophobicContact CB-CB 4.42Å; K32-D35 WeakPolarHBondContact O-CB 3.39Å; K32-D35 PolarHBondContact O-N 3.07Å
33C85.6Confident77.5Confident2 Ų275.7 Ų75.71%0.01440%0.404CS..THydrogen-bonded Turntrans-61.8-24.3-175.7-175.40000113.6C6 A7 N30 R69C6-C33 HydrophobicContact CB-CB 3.67Å; C6-C33 WeakPolarHBondContact CB-SG 3.22Å; C6-C33 PolarHBondContact O-SG 3.12Å; C6-C33 WeakPolarHBondContact SG-CA 3.46Å; C6-C33 WeakPolarHBondContact SG-CB 3.19Å; C6-C33 PolarHBondContact SG-O 2.83Å; C6-C33 CovalentContact SG-SG 2.04Å; C6-C33 PolarHBondContact SG-SG 3.17Å; A7-C33 PolarHBondContact N-SG 3.3Å; N30-C33 PolarHBondContact OD1-N 3.09Å; C33-R69 WeakPolarHBondContact O-CD 3.5Å; C33-R69 VanDerWaalsContact O-CZ 3.23Å; C33-R69 PolarHBondContact O-NE 3.35Å; C33-R69 VanDerWaalsContact O-NE 3.14Å; C33-R69 PolarHBondContact O-NH1 3Å
34G76.6Confident77.3Confident19 Ų1979 Ų7920%0.19642%0.418CS..THydrogen-bonded Turntrans-82.5-10.5174.700000115K32 R69K32-G34 PolarHBondContact O-N 2.83Å; K32-G34 VanDerWaalsContact O-N 3.11Å; G34-R69 PolarHBondContact O-NH2 3.19Å
35D75.2Confident76.8Confident78 Ų7878.5 Ų78.542%0.41742%0.417SS..  trans-80.5126.5-179.5-65.5-18.5000109.3K32 S37 R69K32-D35 HydrophobicContact CB-CB 4.42Å; K32-D35 WeakPolarHBondContact O-CB 3.39Å; K32-D35 PolarHBondContact O-N 3.07Å; D35-S37 PolarHBondContact O-N 2.92Å; D35-R69 PolarHBondContact O-NH1 3.44Å
36D58Low76Confident144 Ų14476.9 Ų76.977%0.7741%0.414SS*.THydrogen-bonded Turntrans-70.30.7-177.6-64.4-28.9000113.8R69D36-R69 IonicContact OD1-CZ 2.83Å; D36-R69 IonicContact OD1-NH1 3Å; D36-R69 PolarHBondContact OD1-NH1 3.11Å; D36-R69 IonicContact OD1-NH2 3.01Å; D36-R69 PolarHBondContact OD1-NH2 3.14Å
37S50.5Low75.2Confident99 Ų9971.9 Ų71.969%0.69239%0.387SS*.THydrogen-bonded Turntrans-98.13.7-168.257.50000115.7D35D35-S37 PolarHBondContact O-N 2.92Å
38R55.9Low74.5Confident101 Ų10165.8 Ų65.838%0.38136%0.355SS..  trans-96.1102.2-179.3-89.1-175161.6-169.8-8113.2N30 D40N30-R38 VanDerWaalsContact CG-NH1 3.25Å; N30-R38 PolarHBondContact OD1-NH1 2.9Å; R38-D40 VanDerWaalsContact C-N 3.29Å
39E54.5Low73.8Confident136 Ų13664.4 Ų64.464%0.63635%0.349SS*.  trans-74-21.1163.3-62.4-148.5109.400113.1S41 K42E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.74Å; E39-K42 WeakPolarHBondContact O-CG 3.43Å; E39-K42 IonicContact OE1-NZ 3.32Å; E39-K42 PolarHBondContact OE1-NZ 3.08Å
40D57.5Low73Confident149 Ų14964.1 Ų64.180%0.79735%0.348SS*.THydrogen-bonded Turntrans-74.4-11.2-160.6-59-27.6000115.4R38R38-D40 VanDerWaalsContact C-N 3.29Å
41S70.8Confident72.6Confident39 Ų3965 Ų6527%0.27335%0.352SS..THydrogen-bonded Turntrans-125.544.2179.669.60000112.9T5 E39T5-S41 WeakPolarHBondContact CA-O 3.47Å; T5-S41 VanDerWaalsContact CB-O 3.28Å; T5-S41 WeakPolarHBondContact CB-O 3.33Å; T5-S41 PolarHBondContact N-O 2.74Å; T5-S41 VanDerWaalsContact O-CB 3.26Å; T5-S41 WeakPolarHBondContact O-CB 3.43Å; T5-S41 PolarHBondContact O-OG 3.2Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.74Å
42K80Confident72.2Confident89 Ų8961.5 Ų61.539%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-78.4131.7171.6-70.7172.8-176.4167.80110.7Q2 C3 E39Q2-K42 HydrophobicContact CB-CB 4.41Å; C3-K42 CarbonylContact O-C 3.53Å; C3-K42 WeakPolarHBondContact O-CA 3.29Å; E39-K42 WeakPolarHBondContact O-CG 3.43Å; E39-K42 IonicContact OE1-NZ 3.32Å; E39-K42 PolarHBondContact OE1-NZ 3.08Å
43S81.2Confident72Confident17 Ų1759.3 Ų59.312%0.11931%0.312CS..EExtended strand (participates in β ladder)trans-116.8150.2172.871.90000111.4Q2 C3 T5 C45 C71Q2-S43 CarbonylContact C-O 3.53Å; Q2-S43 WeakPolarHBondContact CA-O 3.28Å; C3-S43 PolarHBondContact N-O 3.3Å; C3-S43 PolarHBondContact O-N 3.02Å; T5-S43 VanDerWaalsContact OG1-CB 3.29Å; T5-S43 WeakPolarHBondContact OG1-CB 3.32Å; T5-S43 PolarHBondContact OG1-OG 3.41Å; S43-C45 PolarHBondContact O-N 3.14Å; S43-C45 PolarHBondContact O-SG 3.12Å; S43-C71 PolarHBondContact OG-SG 3.39Å
44K83.5Confident71.4Confident163 Ų16359.2 Ų59.271%0.70931%0.311SS*.EExtended strand (participates in β ladder)trans-74.9121.4173.8-71.7-174.5-178.7179.70110M1 R74M1-K44 WeakPolarHBondContact O-CA 3.42Å; K44-R74 PolarHBondContact O-NH2 3.09Å
45C76.9Confident71.3Confident8 Ų862.2 Ų62.25%0.05432%0.316CS..  trans-102.4131.2179.8-43.70000108.2M1 C3 S43 C71M1-C45 PolarHBondContact N-O 2Å; M1-C45 VanDerWaalsContact N-O 3.12Å; M1-C45 PolarHBondContact O-N 3.17Å; C3-C45 WeakPolarHBondContact CB-SG 3.46Å; C3-C45 PolarHBondContact N-SG 2.86Å; C3-C45 VanDerWaalsContact N-SG 3.41Å; C3-C45 WeakPolarHBondContact SG-CB 3.26Å; C3-C45 CovalentContact SG-SG 2Å; C3-C45 PolarHBondContact SG-SG 3.16Å; S43-C45 PolarHBondContact O-N 3.14Å; S43-C45 PolarHBondContact O-SG 3.12Å; C45-C71 HydrophobicContact CB-CB 3.73Å; C45-C71 PolarHBondContact SG-SG 2.65Å
46S73.3Confident71.1Confident69 Ų6959.5 Ų59.548%0.48330%0.302SS..SBendtrans-77.7-18.6169.359.90000111.6D73S46-D73 VanDerWaalsContact OG-CG 3.27Å; S46-D73 PolarHBondContact OG-OD2 3.08Å; S46-D73 VanDerWaalsContact OG-OD2 3.12Å
47T71.5Confident71.7Confident4 Ų459 Ų593%0.02530%0.295CS..SBendtrans-121.1-126.9178.968.40000110.2M1 D73 L81 E83M1-T47 VanDerWaalsContact CE-O 3.23Å; M1-T47 WeakPolarHBondContact CE-O 3.13Å; T47-D73 HydrophobicContact CG2-CB 3.76Å; T47-D73 PolarHBondContact N-OD1 3.15Å; T47-D73 WeakPolarHBondContact OG1-CB 3.28Å; T47-D73 PolarHBondContact OG1-N 2.79Å; T47-D73 PolarHBondContact OG1-OD1 2.82Å; T47-L81 HydrophobicContact CG2-CB 3.94Å; T47-E83 WeakPolarHBondContact CA-OE1 2.87Å
48M72.6Confident72.7Confident5 Ų559.1 Ų59.13%0.02528%0.283CS..  trans-105.9156.8-172.361.4-171.165.100114.5M1 L72 E83 A86 F112M1-M48 HydrophobicContact CE-CB 4.21Å; M48-L72 HydrophobicContact CE-CD2 4.32Å; M48-L72 HydrophobicContact CG-CB 3.56Å; M48-L72 HydrophobicContact CG-CD2 3.79Å; M48-L72 HydrophobicContact CG-CG 4.3Å; M48-L72 PolarHBondContact O-N 3.29Å; M48-L72 HydrophobicContact SD-CB 4.35Å; M48-L72 HydrophobicContact SD-CD2 3.46Å; M48-L72 WeakPolarHBondContact SD-CD2 3.37Å; M48-L72 HydrophobicContact SD-CG 4.5Å; M48-E83 HydrophobicContact CE-CB 4.11Å; M48-E83 HydrophobicContact CE-CG 4.4Å; M48-E83 WeakPolarHBondContact CE-O 3.36Å; M48-A86 HydrophobicContact CE-CB 3.43Å; M48-A86 VanDerWaalsContact CE-CB 3.43Å; M48-A86 HydrophobicContact SD-CB 3.03Å; M48-A86 WeakPolarHBondContact SD-CB 3.49Å; M48-F112 HydrophobicContact CB-CD1 4.29Å; M48-F112 HydrophobicContact CG-CD1 3.61Å; M48-F112 HydrophobicContact CG-CE1 4.02Å; M48-F112 HydrophobicContact SD-CB 4.41Å; M48-F112 HydrophobicContact SD-CD1 3.08Å; M48-F112 WeakPolarHBondContact SD-CD1 2.99Å; M48-F112 HydrophobicContact SD-CE1 3.33Å; M48-F112 WeakPolarHBondContact SD-CE1 3.1Å; M48-F112 HydrophobicContact SD-CG 3.94Å; M48-F112 HydrophobicContact SD-CZ 4.33Å
49C75.8Confident73.2Confident8 Ų862.7 Ų62.75%0.05430%0.304CS..EExtended strand (participates in β ladder)trans-73.2138.2165.8-51.40000109.5M1 C3 G70 F112 C113M1-C49 HydrophobicContact CE-CB 4.48Å; M1-C49 VanDerWaalsContact CE-N 3.28Å; M1-C49 VanDerWaalsContact SD-SG 3.68Å; C3-C49 HydrophobicContact CB-CB 3.98Å; C3-C49 VanDerWaalsContact CB-SG 3.55Å; C3-C49 WeakPolarHBondContact SG-CA 3.32Å; C3-C49 PolarHBondContact SG-SG 2.88Å; C49-G70 CarbonylContact C-O 3.58Å; C49-G70 WeakPolarHBondContact CA-O 3.23Å; C49-F112 WeakPolarHBondContact O-CA 3.37Å; C49-F112 VanDerWaalsContact O-CD1 3.28Å; C49-F112 WeakPolarHBondContact O-CD1 3.4Å; C49-C113 HydrophobicContact CB-CB 4.09Å
50V76Confident73.8Confident3 Ų366.5 Ų66.52%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-110.8135.8166.1-1790000107.8F20 L52 R69 G70 L72 L75 I110 F112F20-V50 HydrophobicContact CE2-CG1 4.45Å; F20-V50 HydrophobicContact CZ-CG1 3.9Å; V50-L52 HydrophobicContact CG1-CB 4.35Å; V50-R69 CarbonylContact O-C 3.47Å; V50-R69 WeakPolarHBondContact O-CA 2.8Å; V50-G70 PolarHBondContact N-O 3.32Å; V50-G70 PolarHBondContact O-N 3.49Å; V50-L72 HydrophobicContact CG2-CB 3.53Å; V50-L72 HydrophobicContact CG2-CD1 3.53Å; V50-L72 HydrophobicContact CG2-CG 4.09Å; V50-L75 HydrophobicContact CB-CD1 4.04Å; V50-L75 HydrophobicContact CG1-CD1 4.33Å; V50-L75 HydrophobicContact CG2-CD1 4.17Å; V50-I110 HydrophobicContact CG1-CG2 4.12Å; V50-F112 HydrophobicContact CG2-CD1 4.16Å; V50-F112 HydrophobicContact CG2-CE1 3.75Å
51N78.9Confident74.2Confident40 Ų4061.9 Ų61.921%0.21431%0.306CS..EExtended strand (participates in β ladder)trans-126.997.6162.6-174.2-4000108.3R69 I110 S111N51-R69 HydrophobicContact CB-CG 4.33Å; N51-R69 PolarHBondContact ND2-NE 2.83Å; N51-R69 PolarHBondContact OD1-NE 2.95Å; N51-I110 WeakPolarHBondContact O-CA 2.94Å; N51-S111 WeakPolarHBondContact CB-OG 3.24Å; N51-S111 PolarHBondContact N-O 2.87Å; N51-S111 PolarHBondContact O-N 3.13Å
52L76.8Confident74.1Confident4 Ų466.8 Ų66.82%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-93.5123.9175.6172.871000108.8T18 F20 V50 L54 Y67 V68 A108 L109 I110T18-L52 HydrophobicContact CG2-CD2 4.35Å; F20-L52 HydrophobicContact CE2-CB 4.46Å; F20-L52 HydrophobicContact CE2-CD2 3.83Å; V50-L52 HydrophobicContact CG1-CB 4.35Å; L52-L54 HydrophobicContact CD1-CD2 4.01Å; L52-L54 HydrophobicContact CD1-CG 4.37Å; L52-L54 HydrophobicContact CD2-CD1 4.11Å; L52-L54 HydrophobicContact CD2-CD2 4.13Å; L52-L54 HydrophobicContact CD2-CG 3.99Å; L52-L54 HydrophobicContact CG-CD2 4.19Å; L52-L54 HydrophobicContact CG-CG 4.03Å; L52-Y67 CarbonylContact O-C 3.56Å; L52-Y67 VanDerWaalsContact O-CA 3.26Å; L52-Y67 WeakPolarHBondContact O-CA 3.21Å; L52-V68 HydrophobicContact CB-CB 4.19Å; L52-V68 HydrophobicContact CD2-CB 4.35Å; L52-V68 HydrophobicContact CD2-CG2 4.3Å; L52-V68 PolarHBondContact N-O 3.11Å; L52-V68 PolarHBondContact O-N 2.8Å; L52-A108 HydrophobicContact CD1-CB 3.8Å; L52-L109 CarbonylContact C-O 3.45Å; L52-L109 VanDerWaalsContact CA-O 3.29Å; L52-L109 WeakPolarHBondContact CA-O 3.42Å; L52-I110 HydrophobicContact CD1-CD1 4.13Å; L52-I110 HydrophobicContact CD1-CG1 3.51Å
53R81.4Confident73.7Confident69 Ų6967.7 Ų67.726%0.2633%0.333SS..EExtended strand (participates in β ladder)trans-111.6119166.8178.3-175.2178.4178.94.8109.5S65 L66 Y67 N107 A108 L109R53-S65 PolarHBondContact NE-OG 2.81Å; R53-S65 PolarHBondContact NH2-OG 3.04Å; R53-L66 CarbonylContact C-O 3.57Å; R53-L66 WeakPolarHBondContact CA-O 3.48Å; R53-Y67 HydrophobicContact CB-CD1 3.91Å; R53-Y67 HydrophobicContact CB-CE1 3.81Å; R53-Y67 HydrophobicContact CG-CD1 4.01Å; R53-Y67 HydrophobicContact CG-CE1 3.53Å; R53-Y67 PolarHBondContact NE-OH 3.11Å; R53-N107 VanDerWaalsContact O-O 3.05Å; R53-A108 CarbonylContact O-C 3.53Å; R53-A108 VanDerWaalsContact O-CA 3.26Å; R53-A108 WeakPolarHBondContact O-CA 3.06Å; R53-L109 HydrophobicContact CB-CB 4.31Å; R53-L109 PolarHBondContact N-O 3.47Å; R53-L109 PolarHBondContact O-N 2.04Å
54L72.9Confident73.6Confident0 Ų069.5 Ų69.50%034%0.339CS..EExtended strand (participates in β ladder)trans-101132.8173.6-62.2171.4000109.7L11 L17 T18 L52 S65 L66 I94 N107 A108L11-L54 HydrophobicContact CD2-CD1 3.97Å; L17-L54 HydrophobicContact CB-CD1 4.04Å; T18-L54 HydrophobicContact CG2-CD1 4.09Å; L52-L54 HydrophobicContact CD1-CD2 4.01Å; L52-L54 HydrophobicContact CD1-CG 4.37Å; L52-L54 HydrophobicContact CD2-CD1 4.11Å; L52-L54 HydrophobicContact CD2-CD2 4.13Å; L52-L54 HydrophobicContact CD2-CG 3.99Å; L52-L54 HydrophobicContact CG-CD2 4.19Å; L52-L54 HydrophobicContact CG-CG 4.03Å; L54-S65 CarbonylContact O-C 3.56Å; L54-S65 VanDerWaalsContact O-CA 3.29Å; L54-S65 WeakPolarHBondContact O-CA 3.44Å; L54-L66 HydrophobicContact CB-CB 4.25Å; L54-L66 PolarHBondContact N-O 3.13Å; L54-L66 PolarHBondContact O-N 2.83Å; L54-I94 HydrophobicContact CD2-CD1 3.45Å; L54-I94 VanDerWaalsContact CD2-CD1 3.45Å; L54-I94 HydrophobicContact CD2-CG1 4.44Å; L54-N107 WeakPolarHBondContact CA-O 3.04Å; L54-A108 HydrophobicContact CD2-CB 4.3Å
55R74.7Confident73.5Confident81 Ų8163.5 Ų63.531%0.30632%0.318SS..EExtended strand (participates in β ladder)trans-107.2108.1169.8-65-174.9-175.5164.25.1110.8E64 A106 N107R55-E64 CarbonylContact C-O 3.13Å; R55-E64 WeakPolarHBondContact CA-O 3.29Å; R55-A106 VanDerWaalsContact O-CA 3.23Å; R55-A106 WeakPolarHBondContact O-CA 3.27Å; R55-A106 WeakPolarHBondContact O-CB 3.41Å; R55-N107 PolarHBondContact N-O 3.21Å; R55-N107 VanDerWaalsContact N-O 3.12Å
56I71Confident74Confident22 Ų2263.3 Ų63.311%0.11332%0.316CS..EExtended strand (participates in β ladder)trans-103.9148.5179.466.4165.1000111L17 L63 E64 L66 F96L17-I56 HydrophobicContact CD1-CG2 3.99Å; I56-L63 CarbonylContact O-C 3.58Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; I56-E64 HydrophobicContact CG1-CB 4Å; I56-E64 PolarHBondContact N-O 3.42Å; I56-E64 PolarHBondContact O-N 3.2Å; I56-L66 HydrophobicContact CD1-CD1 3.58Å; I56-L66 HydrophobicContact CD1-CG 4.25Å; I56-L66 HydrophobicContact CG1-CD1 4.07Å; I56-L66 HydrophobicContact CG1-CG 4.34Å; I56-L66 HydrophobicContact CG2-CD1 4.29Å; I56-F96 HydrophobicContact CG2-CZ 4Å
57Q69.9Low74.7Confident133 Ų13362.1 Ų62.162%0.62130%0.302SS*.EExtended strand (participates in β ladder)trans-85.4122.2170-71.5-174.76.100109.8L63Q57-L63 HydrophobicContact CG-CD2 3.6Å
58K71.5Confident75.5Confident102 Ų10262 Ų6244%0.44330%0.3SS..PPolyproline II helixtrans-79169.2164.3-75.8-164.3178.4173.10110.9K60 G61 Q62 E64K58-K60 PolarHBondContact O-N 2.87Å; K58-G61 PolarHBondContact O-N 3.47Å; K58-G61 VanDerWaalsContact O-N 3.13Å; K58-Q62 PolarHBondContact N-O 2.73Å; K58-E64 HydrophobicContact CD-CB 4.41Å; K58-E64 WeakPolarHBondContact CE-OE1 3.36Å; K58-E64 WeakPolarHBondContact CE-OE2 3.14Å; K58-E64 HydrophobicContact CG-CB 4.22Å; K58-E64 IonicContact NZ-OE1 3.81Å; K58-E64 PolarHBondContact NZ-OE1 2.81Å; K58-E64 IonicContact NZ-OE2 2.71Å; K58-E64 PolarHBondContact NZ-OE2 2.97Å
59E67Low76.1Confident176 Ų17662.8 Ų62.882%0.82230%0.303SS*.G310 helixtrans-46.8138.7164.3-63.5-176.5173.200110.4
60K65.9Low76.6Confident216 Ų21662.4 Ų62.494%0.93930%0.301SS*.G310 helixtrans73.115.5-175-48.5177.7-179.6177.10116.2K58 Q62K58-K60 PolarHBondContact O-N 2.87Å; K60-Q62 VanDerWaalsContact C-N 3.26Å; K60-Q62 PolarHBondContact O-N 3.5Å
61G66.2Low77Confident52 Ų5262.3 Ų62.354%0.53630%0.3SS..G310 helixtrans77.49.6171.800000114.5K58K58-G61 PolarHBondContact O-N 3.47Å; K58-G61 VanDerWaalsContact O-N 3.13Å
62Q69.4Low77Confident142 Ų14261.4 Ų61.466%0.66430%0.295SS*.  trans-76.1127.7176.7-160.9174.39.900109.7K58 K60K58-Q62 PolarHBondContact N-O 2.73Å; K60-Q62 VanDerWaalsContact C-N 3.26Å; K60-Q62 PolarHBondContact O-N 3.5Å
63L70.8Confident77Confident108 Ų10861.9 Ų61.957%0.56530%0.298SS*.EExtended strand (participates in β ladder)trans-82.1126.9177-70.4168.7000110.5I56 Q57I56-L63 CarbonylContact O-C 3.58Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; Q57-L63 HydrophobicContact CG-CD2 3.6Å
64E79.7Confident77.1Confident55 Ų5564.4 Ų64.426%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-104.6135.1168.7177.4175.3-123.400109.7R55 I56 K58 L66R55-E64 CarbonylContact C-O 3.13Å; R55-E64 WeakPolarHBondContact CA-O 3.29Å; I56-E64 HydrophobicContact CG1-CB 4Å; I56-E64 PolarHBondContact N-O 3.42Å; I56-E64 PolarHBondContact O-N 3.2Å; K58-E64 HydrophobicContact CD-CB 4.41Å; K58-E64 WeakPolarHBondContact CE-OE1 3.36Å; K58-E64 WeakPolarHBondContact CE-OE2 3.14Å; K58-E64 HydrophobicContact CG-CB 4.22Å; K58-E64 IonicContact NZ-OE1 3.81Å; K58-E64 PolarHBondContact NZ-OE1 2.81Å; K58-E64 IonicContact NZ-OE2 2.71Å; K58-E64 PolarHBondContact NZ-OE2 2.97Å; E64-L66 HydrophobicContact CG-CD2 3.97Å; E64-L66 HydrophobicContact CG-CG 4.36Å
65S82Confident77.6Confident37 Ų3764.6 Ų64.626%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-94.8119.1170.2-63.90000109.8R53 L54R53-S65 PolarHBondContact NE-OG 2.81Å; R53-S65 PolarHBondContact NH2-OG 3.04Å; L54-S65 CarbonylContact O-C 3.56Å; L54-S65 VanDerWaalsContact O-CA 3.29Å; L54-S65 WeakPolarHBondContact O-CA 3.44Å
66L86.5Confident77.7Confident3 Ų363.5 Ų63.52%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-104.2143.9171.3-58.3177.4000109.2L11 R53 L54 I56 E64L11-L66 HydrophobicContact CD1-CB 4.22Å; L11-L66 HydrophobicContact CD2-CB 4.18Å; L11-L66 HydrophobicContact CD2-CD1 3.67Å; L11-L66 HydrophobicContact CG-CB 4.04Å; L11-L66 HydrophobicContact CG-CD1 4.03Å; R53-L66 CarbonylContact C-O 3.57Å; R53-L66 WeakPolarHBondContact CA-O 3.48Å; L54-L66 HydrophobicContact CB-CB 4.25Å; L54-L66 PolarHBondContact N-O 3.13Å; L54-L66 PolarHBondContact O-N 2.83Å; I56-L66 HydrophobicContact CD1-CD1 3.58Å; I56-L66 HydrophobicContact CD1-CG 4.25Å; I56-L66 HydrophobicContact CG1-CD1 4.07Å; I56-L66 HydrophobicContact CG1-CG 4.34Å; I56-L66 HydrophobicContact CG2-CD1 4.29Å; E64-L66 HydrophobicContact CG-CD2 3.97Å; E64-L66 HydrophobicContact CG-CG 4.36Å
67Y88.6Confident77.9Confident45 Ų4563.7 Ų63.718%0.17632%0.316CS..EExtended strand (participates in β ladder)trans-123.6144.4-175.7-62.4-92.9000110.8A7 S8 L11 L52 R53A7-Y67 CarbonylContact C-O 3.51Å; A7-Y67 VanDerWaalsContact CA-O 3.29Å; A7-Y67 WeakPolarHBondContact CA-O 3.29Å; S8-Y67 PolarHBondContact N-O 2.72Å; S8-Y67 PolarHBondContact OG-N 3.32Å; L11-Y67 WeakPolarHBondContact CD1-O 3.37Å; L52-Y67 CarbonylContact O-C 3.56Å; L52-Y67 VanDerWaalsContact O-CA 3.26Å; L52-Y67 WeakPolarHBondContact O-CA 3.21Å; R53-Y67 HydrophobicContact CB-CD1 3.91Å; R53-Y67 HydrophobicContact CB-CE1 3.81Å; R53-Y67 HydrophobicContact CG-CD1 4.01Å; R53-Y67 HydrophobicContact CG-CE1 3.53Å; R53-Y67 PolarHBondContact NE-OH 3.11Å
68V87Confident77.9Confident0 Ų062.8 Ų62.80%031%0.312CS..EExtended strand (participates in β ladder)trans-130.3122.1163.6-178.30000107.7A7 L11 W15 T18 F20 M24 L52 L75A7-V68 HydrophobicContact CB-CG2 4.44Å; L11-V68 HydrophobicContact CD1-CG2 3.2Å; W15-V68 HydrophobicContact CH2-CG1 3.9Å; W15-V68 HydrophobicContact CH2-CG2 4.29Å; W15-V68 HydrophobicContact CZ3-CG1 4.47Å; W15-V68 HydrophobicContact CZ3-CG2 4.18Å; T18-V68 HydrophobicContact CG2-CG2 3.56Å; F20-V68 HydrophobicContact CD2-CG1 4.24Å; F20-V68 HydrophobicContact CE2-CB 4.48Å; F20-V68 HydrophobicContact CE2-CG1 4.11Å; M24-V68 HydrophobicContact CE-CG1 3.83Å; M24-V68 HydrophobicContact SD-CG1 4.13Å; L52-V68 HydrophobicContact CB-CB 4.19Å; L52-V68 HydrophobicContact CD2-CB 4.35Å; L52-V68 HydrophobicContact CD2-CG2 4.3Å; L52-V68 PolarHBondContact N-O 3.11Å; L52-V68 PolarHBondContact O-N 2.8Å; V68-L75 HydrophobicContact CG1-CD1 4.16Å; V68-L75 HydrophobicContact CG1-CD2 3.97Å
69R87.1Confident77.3Confident22 Ų2266.3 Ų66.38%0.08333%0.327CS..EExtended strand (participates in β ladder)trans-123.8133.6176.7-59.9179.9174.5-174.4-4.1108.7P4 T5 C6 M24 C33 G34 D35 D36 V50 N51P4-R69 HydrophobicContact CB-CB 4.41Å; P4-R69 CarbonylContact O-C 3.53Å; P4-R69 WeakPolarHBondContact O-CB 3.36Å; T5-R69 CarbonylContact C-O 3.55Å; T5-R69 VanDerWaalsContact CA-O 3.24Å; T5-R69 WeakPolarHBondContact CA-O 3.22Å; C6-R69 PolarHBondContact N-O 3.16Å; C6-R69 PolarHBondContact O-N 2.94Å; C6-R69 VanDerWaalsContact O-O 3.08Å; M24-R69 WeakPolarHBondContact CE-O 3.46Å; C33-R69 WeakPolarHBondContact O-CD 3.5Å; C33-R69 VanDerWaalsContact O-CZ 3.23Å; C33-R69 PolarHBondContact O-NE 3.35Å; C33-R69 VanDerWaalsContact O-NE 3.14Å; C33-R69 PolarHBondContact O-NH1 3Å; G34-R69 PolarHBondContact O-NH2 3.19Å; D35-R69 PolarHBondContact O-NH1 3.44Å; D36-R69 IonicContact OD1-CZ 2.83Å; D36-R69 IonicContact OD1-NH1 3Å; D36-R69 PolarHBondContact OD1-NH1 3.11Å; D36-R69 IonicContact OD1-NH2 3.01Å; D36-R69 PolarHBondContact OD1-NH2 3.14Å; V50-R69 CarbonylContact O-C 3.47Å; V50-R69 WeakPolarHBondContact O-CA 2.8Å; N51-R69 HydrophobicContact CB-CG 4.33Å; N51-R69 PolarHBondContact ND2-NE 2.83Å; N51-R69 PolarHBondContact OD1-NE 2.95Å
70G86.2Confident76.9Confident0 Ų065.4 Ų65.40%033%0.328CS..EExtended strand (participates in β ladder)trans173.7-169179.100000114.7P4 C49 V50P4-G70 WeakPolarHBondContact O-CA 3.45Å; P4-G70 PolarHBondContact O-N 3.35Å; P4-G70 VanDerWaalsContact O-N 3.13Å; C49-G70 CarbonylContact C-O 3.58Å; C49-G70 WeakPolarHBondContact CA-O 3.23Å; V50-G70 PolarHBondContact N-O 3.32Å; V50-G70 PolarHBondContact O-N 3.49Å
71C83.6Confident76.5Confident2 Ų256.7 Ų56.71%0.01429%0.291CS..EExtended strand (participates in β ladder)trans-79.8130.8173.1-23.40000110.2S43 C45 D73 R74 L75S43-C71 PolarHBondContact OG-SG 3.39Å; C45-C71 HydrophobicContact CB-CB 3.73Å; C45-C71 PolarHBondContact SG-SG 2.65Å; C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 WeakPolarHBondContact CB-OD1 3.5Å; C71-D73 PolarHBondContact O-N 2.95Å; C71-R74 HydrophobicContact CB-CB 4.13Å; C71-R74 HydrophobicContact CB-CG 3.89Å; C71-R74 PolarHBondContact O-N 2.86Å; C71-R74 WeakPolarHBondContact SG-CD 3.26Å; C71-R74 PolarHBondContact SG-NE 3.2Å; C71-R74 VanDerWaalsContact SG-NE 3.45Å; C71-L75 WeakPolarHBondContact O-CG 3.29Å; C71-L75 PolarHBondContact O-N 3.22Å
72L79.6Confident76Confident20 Ų2057.4 Ų57.411%0.10528%0.283CS..Hα-helixtrans-59.6-44.6177.1-175.166.1000111.7F20 M48 V50 R74 L75 L76 L81 F112F20-L72 HydrophobicContact CE1-CD1 4.32Å; M48-L72 HydrophobicContact CE-CD2 4.32Å; M48-L72 HydrophobicContact CG-CB 3.56Å; M48-L72 HydrophobicContact CG-CD2 3.79Å; M48-L72 HydrophobicContact CG-CG 4.3Å; M48-L72 PolarHBondContact O-N 3.29Å; M48-L72 HydrophobicContact SD-CB 4.35Å; M48-L72 HydrophobicContact SD-CD2 3.46Å; M48-L72 WeakPolarHBondContact SD-CD2 3.37Å; M48-L72 HydrophobicContact SD-CG 4.5Å; V50-L72 HydrophobicContact CG2-CB 3.53Å; V50-L72 HydrophobicContact CG2-CD1 3.53Å; V50-L72 HydrophobicContact CG2-CG 4.09Å; L72-R74 PolarHBondContact O-N 2.75Å; L72-L75 PolarHBondContact O-N 3.22Å; L72-L76 HydrophobicContact CD1-CD1 3.71Å; L72-L76 HydrophobicContact CD1-CG 3.84Å; L72-L76 HydrophobicContact CD2-CD1 4.17Å; L72-L76 HydrophobicContact CG-CD1 3.76Å; L72-L76 HydrophobicContact CG-CG 4.15Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.03Å; L72-L76 PolarHBondContact O-N 2.99Å; L72-L81 HydrophobicContact CB-CD1 4.11Å; L72-L81 HydrophobicContact CD2-CD1 3.68Å; L72-L81 HydrophobicContact CG-CD1 3.59Å; L72-F112 HydrophobicContact CD1-CE1 4.12Å; L72-F112 HydrophobicContact CD2-CE1 3.93Å; L72-F112 HydrophobicContact CG-CE1 4.42Å
73D75.8Confident75.1Confident14 Ų1454.4 Ų54.48%0.07527%0.269CS..Hα-helixtrans-54.9-38.9178.154.1-68.7000112.9S46 T47 C71 G77 Q78 L81S46-D73 VanDerWaalsContact OG-CG 3.27Å; S46-D73 PolarHBondContact OG-OD2 3.08Å; S46-D73 VanDerWaalsContact OG-OD2 3.12Å; T47-D73 HydrophobicContact CG2-CB 3.76Å; T47-D73 PolarHBondContact N-OD1 3.15Å; T47-D73 WeakPolarHBondContact OG1-CB 3.28Å; T47-D73 PolarHBondContact OG1-N 2.79Å; T47-D73 PolarHBondContact OG1-OD1 2.82Å; C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 WeakPolarHBondContact CB-OD1 3.5Å; C71-D73 PolarHBondContact O-N 2.95Å; D73-G77 CarbonylContact O-C 3.49Å; D73-G77 VanDerWaalsContact O-CA 3.29Å; D73-G77 WeakPolarHBondContact O-CA 3.33Å; D73-G77 PolarHBondContact O-N 2.94Å; D73-Q78 WeakPolarHBondContact CA-O 3.36Å; D73-Q78 WeakPolarHBondContact CB-O 3.36Å; D73-Q78 PolarHBondContact O-N 2.84Å; D73-L81 HydrophobicContact CB-CD1 4.19Å
74R84.1Confident74.2Confident122 Ų12254.4 Ų54.446%0.4627%0.269SS..Hα-helixtrans-75.4-44178.6-64-171.8-169.8-174.10.8112K44 C71 L72 L76 G77K44-R74 PolarHBondContact O-NH2 3.09Å; C71-R74 HydrophobicContact CB-CB 4.13Å; C71-R74 HydrophobicContact CB-CG 3.89Å; C71-R74 PolarHBondContact O-N 2.86Å; C71-R74 WeakPolarHBondContact SG-CD 3.26Å; C71-R74 PolarHBondContact SG-NE 3.2Å; C71-R74 VanDerWaalsContact SG-NE 3.45Å; L72-R74 PolarHBondContact O-N 2.75Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 2.77Å; R74-G77 PolarHBondContact O-N 3.49Å
75L82Confident72.6Confident5 Ų554.2 Ų54.23%0.02627%0.269CS..Hα-helixtrans-63-37.8178.6-74.1169.7000112W15 F20 P21 R22 M24 V50 V68 C71 L72W15-L75 HydrophobicContact CH2-CD2 3.91Å; W15-L75 HydrophobicContact CZ2-CD2 3.86Å; F20-L75 HydrophobicContact CB-CB 4.37Å; F20-L75 HydrophobicContact CB-CD2 4.37Å; F20-L75 HydrophobicContact CD1-CB 3.73Å; F20-L75 HydrophobicContact CD2-CB 4.28Å; F20-L75 HydrophobicContact CD2-CD1 4.13Å; F20-L75 HydrophobicContact CD2-CD2 3.86Å; F20-L75 HydrophobicContact CD2-CG 4.32Å; F20-L75 HydrophobicContact CE1-CB 4.07Å; F20-L75 HydrophobicContact CE1-CD1 4.33Å; F20-L75 HydrophobicContact CE2-CD1 3.83Å; F20-L75 HydrophobicContact CE2-CD2 4.38Å; F20-L75 HydrophobicContact CG-CB 3.87Å; F20-L75 HydrophobicContact CG-CD2 4.09Å; F20-L75 HydrophobicContact CG-CG 4.39Å; F20-L75 HydrophobicContact CZ-CD1 3.96Å; P21-L75 VanDerWaalsContact CD-O 3.3Å; P21-L75 WeakPolarHBondContact CD-O 3.42Å; R22-L75 PolarHBondContact N-O 3.35Å; M24-L75 HydrophobicContact CE-CD1 4.48Å; M24-L75 HydrophobicContact CE-CD2 3.72Å; M24-L75 HydrophobicContact CE-CG 4.33Å; M24-L75 HydrophobicContact CG-CD2 4.31Å; V50-L75 HydrophobicContact CB-CD1 4.04Å; V50-L75 HydrophobicContact CG1-CD1 4.33Å; V50-L75 HydrophobicContact CG2-CD1 4.17Å; V68-L75 HydrophobicContact CG1-CD1 4.16Å; V68-L75 HydrophobicContact CG1-CD2 3.97Å; C71-L75 WeakPolarHBondContact O-CG 3.29Å; C71-L75 PolarHBondContact O-N 3.22Å; L72-L75 PolarHBondContact O-N 3.22Å
76L76.9Confident70.9Confident57 Ų5753.1 Ų53.130%0.29826%0.261SS..Hα-helixtrans-85-18.9175.4-64.2-174.8000113.6F20 P21 L72 R74 Q78 L81F20-L76 HydrophobicContact CD1-CD2 4Å; F20-L76 HydrophobicContact CE1-CD2 4.32Å; P21-L76 WeakPolarHBondContact CG-O 3.2Å; L72-L76 HydrophobicContact CD1-CD1 3.71Å; L72-L76 HydrophobicContact CD1-CG 3.84Å; L72-L76 HydrophobicContact CD2-CD1 4.17Å; L72-L76 HydrophobicContact CG-CD1 3.76Å; L72-L76 HydrophobicContact CG-CG 4.15Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.03Å; L72-L76 PolarHBondContact O-N 2.99Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 2.77Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-L81 HydrophobicContact CB-CD1 4.47Å; L76-L81 HydrophobicContact CD1-CD1 3.81Å; L76-L81 HydrophobicContact CD1-CD2 3.9Å
77G75.9Confident68.9Low27 Ų2753.2 Ų53.228%0.27826%0.262SS..THydrogen-bonded Turntrans70.125.6-174.100000114D73 R74D73-G77 CarbonylContact O-C 3.49Å; D73-G77 VanDerWaalsContact O-CA 3.29Å; D73-G77 WeakPolarHBondContact O-CA 3.33Å; D73-G77 PolarHBondContact O-N 2.94Å; R74-G77 PolarHBondContact O-N 3.49Å
78Q70.1Confident67.2Low114 Ų11452.7 Ų52.753%0.53326%0.261SS..  trans-125124.5-177.2-67.7-173.6-16.200109.8D73 L76 L81D73-Q78 WeakPolarHBondContact CA-O 3.36Å; D73-Q78 WeakPolarHBondContact CB-O 3.36Å; D73-Q78 PolarHBondContact O-N 2.84Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; Q78-L81 HydrophobicContact CB-CD2 4.05Å; Q78-L81 HydrophobicContact CB-CG 4.21Å
79K58.9Low65.4Low175 Ų17556.7 Ų56.776%0.76129%0.288SS*.SBendtrans-85.1-18.4-173.5-68.7-175.9177.5-179.10114.5
80D58.6Low63.7Low158 Ų15860.2 Ų60.285%0.84531%0.306SS*.  trans-115.346.7-170.1-54.3-44.7000111.8N82D80-N82 PolarHBondContact O-N 3.12Å
81L57.6Low62.2Low32 Ų3266.7 Ų66.717%0.16834%0.336CS..  trans-76.5125174.3-58.7165.9000108.9T47 L72 D73 L76 Q78 E83T47-L81 HydrophobicContact CG2-CB 3.94Å; L72-L81 HydrophobicContact CB-CD1 4.11Å; L72-L81 HydrophobicContact CD2-CD1 3.68Å; L72-L81 HydrophobicContact CG-CD1 3.59Å; D73-L81 HydrophobicContact CB-CD1 4.19Å; L76-L81 HydrophobicContact CB-CD1 4.47Å; L76-L81 HydrophobicContact CD1-CD1 3.81Å; L76-L81 HydrophobicContact CD1-CD2 3.9Å; Q78-L81 HydrophobicContact CB-CD2 4.05Å; Q78-L81 HydrophobicContact CB-CG 4.21Å; L81-E83 PolarHBondContact O-N 2.86Å; L81-E83 VanDerWaalsContact O-N 3.11Å
82N54.9Low60.6Low68 Ų6868.1 Ų68.136%0.36435%0.351SS..  trans-69.4109.9174-178-11.5000109.6D80 N84 H85D80-N82 PolarHBondContact O-N 3.12Å; N82-N84 PolarHBondContact O-N 3.49Å; N82-N84 VanDerWaalsContact O-N 3.09Å; N82-N84 WeakPolarHBondContact OD1-CB 3.08Å; N82-N84 PolarHBondContact OD1-N 3.42Å; N82-N84 PolarHBondContact OD1-ND2 2.81Å; N82-H85 VanDerWaalsContact CG-CD2 3.5Å; N82-H85 PolarHBondContact ND2-CD2 2.8Å; N82-H85 PolarHBondContact O-N 2.82Å
83E51.7Low59.2Low79 Ų7971.5 Ų71.537%0.36937%0.366SS..G310 helixtrans-60.6-21.6-173.2-67.2176.9-154.900114.4T47 M48 L81 H85T47-E83 WeakPolarHBondContact CA-OE1 2.87Å; M48-E83 HydrophobicContact CE-CB 4.11Å; M48-E83 HydrophobicContact CE-CG 4.4Å; M48-E83 WeakPolarHBondContact CE-O 3.36Å; L81-E83 PolarHBondContact O-N 2.86Å; L81-E83 VanDerWaalsContact O-N 3.11Å; E83-H85 PolarHBondContact O-N 3.36Å
84N50.7Low57.9Low107 Ų10773.2 Ų73.257%0.57238%0.375SS*.G310 helixtrans-74-7.5-178-62.2-33.7000113.6N82 Y140N82-N84 PolarHBondContact O-N 3.49Å; N82-N84 VanDerWaalsContact O-N 3.09Å; N82-N84 WeakPolarHBondContact OD1-CB 3.08Å; N82-N84 PolarHBondContact OD1-N 3.42Å; N82-N84 PolarHBondContact OD1-ND2 2.81Å; N84-Y140 PolarHBondContact O-OH 3.46Å
85H47Very low56.1Low52 Ų5272.6 Ų72.624%0.24137%0.373CS..G310 helixtrans-97.7-10.8-171.9-81-68.5000116.8N82 E83 S87 S162 A165N82-H85 VanDerWaalsContact CG-CD2 3.5Å; N82-H85 PolarHBondContact ND2-CD2 2.8Å; N82-H85 PolarHBondContact O-N 2.82Å; E83-H85 PolarHBondContact O-N 3.36Å; H85-S87 PolarHBondContact O-N 3.46Å; H85-S162 PolarHBondContact CE1-O 2.83Å; H85-A165 WeakPolarHBondContact CE1-CA 3.29Å; H85-A165 WeakPolarHBondContact CE1-CB 3.26Å; H85-A165 PolarHBondContact CE1-O 3.13Å; H85-A165 WeakPolarHBondContact NE2-CB 3.35Å; H85-A165 PolarHBondContact NE2-O 3.45Å
86A45.4Very low54.8Low13 Ų1373.2 Ų73.211%0.10738%0.376CS..  trans-82123.7176.900000111.5M48 F112 K139M48-A86 HydrophobicContact CE-CB 3.43Å; M48-A86 VanDerWaalsContact CE-CB 3.43Å; M48-A86 HydrophobicContact SD-CB 3.03Å; M48-A86 WeakPolarHBondContact SD-CB 3.49Å; A86-F112 HydrophobicContact CB-CB 4.17Å; A86-F112 HydrophobicContact CB-CD1 3.69Å; A86-F112 HydrophobicContact CB-CD2 3.78Å; A86-F112 HydrophobicContact CB-CE1 3.79Å; A86-F112 HydrophobicContact CB-CE2 3.83Å; A86-F112 HydrophobicContact CB-CG 3.62Å; A86-F112 HydrophobicContact CB-CZ 3.82Å; A86-K139 PolarHBondContact O-NZ 2.73Å
87S44.7Very low53.4Low5 Ų576.2 Ų76.24%0.03539%0.387CS..  trans-63.6127165.743.30000108.7H85 C89 E90 F112H85-S87 PolarHBondContact O-N 3.46Å; S87-C89 PolarHBondContact O-N 2.85Å; S87-E90 WeakPolarHBondContact CB-OE1 3.38Å; S87-E90 WeakPolarHBondContact OG-CG 3.1Å; S87-E90 PolarHBondContact OG-OE1 2.93Å; S87-F112 WeakPolarHBondContact O-CD2 3.19Å; S87-F112 WeakPolarHBondContact O-CE2 3.45Å
88K53.1Low52.3Low34 Ų3475.6 Ų75.615%0.14838%0.381CS..SBendtrans-70.2-17.4-167.4-81.7169177-1750115.5S111 F112 N114 D116K88-S111 CarbonylContact O-C 3.55Å; K88-S111 WeakPolarHBondContact O-CA 3.43Å; K88-S111 WeakPolarHBondContact O-CB 3.31Å; K88-F112 WeakPolarHBondContact CG-O 3.14Å; K88-F112 PolarHBondContact O-N 3.14Å; K88-N114 WeakPolarHBondContact CD-O 3.41Å; K88-N114 WeakPolarHBondContact CE-O 3.37Å; K88-N114 PolarHBondContact NZ-O 3.01Å; K88-D116 VanDerWaalsContact CE-OD2 3.31Å; K88-D116 WeakPolarHBondContact CE-OD2 3.36Å; K88-D116 VanDerWaalsContact NZ-CA 3.32Å; K88-D116 IonicContact NZ-OD1 2.7Å; K88-D116 PolarHBondContact NZ-OD1 2.8Å; K88-D116 IonicContact NZ-OD2 3.26Å; K88-D116 PolarHBondContact NZ-OD2 3.26Å
89C48.7Very low51.2Low85 Ų8575.6 Ų75.657%0.57440%0.4SS*.EExtended strand (participates in β ladder)trans-153.9108172.6-75.20000107.4S87 I110S87-C89 PolarHBondContact O-N 2.85Å; C89-I110 CarbonylContact C-O 3.49Å; C89-I110 WeakPolarHBondContact CA-O 3.25Å
90E52.4Low51.6Low95 Ų9570.6 Ų70.644%0.44439%0.391SS..EExtended strand (participates in β ladder)trans-104.4105.9160.6-89.9175.8-15200107.8S87 L109 I110S87-E90 WeakPolarHBondContact CB-OE1 3.38Å; S87-E90 WeakPolarHBondContact OG-CG 3.1Å; S87-E90 PolarHBondContact OG-OE1 2.93Å; E90-L109 WeakPolarHBondContact O-CA 3.37Å; E90-I110 PolarHBondContact N-O 3.46Å; E90-I110 PolarHBondContact O-N 3.32Å
91E54.2Low51.3Low136 Ų13668.9 Ų68.964%0.63638%0.382SS*.EExtended strand (participates in β ladder)trans-86.6117.7158.3-168.4169.7-170.700107.3A108 L109E91-A108 WeakPolarHBondContact CA-O 3.43Å; E91-L109 HydrophobicContact CB-CD1 3.75Å; E91-L109 HydrophobicContact CG-CD1 4.27Å
92G49.9Very low51.1Low32 Ų3273 Ų7333%0.3340%0.401SS..EExtended strand (participates in β ladder)trans-145.3148.3-178.600000111.2I94 A108G92-I94 PolarHBondContact O-N 3Å; G92-A108 PolarHBondContact N-O 3.33Å; G92-A108 PolarHBondContact O-N 2.93Å
93E50.6Low50.9Low91 Ų9178.1 Ų78.143%0.42542%0.415SS..EExtended strand (participates in β ladder)trans-73.3116.5164.6-61.3-167.5142.500108.3Y95 R105E93-Y95 HydrophobicContact CB-CE2 4.28Å; E93-Y95 PolarHBondContact OE2-OH 2.93Å; E93-R105 VanDerWaalsContact CD-CZ 3.42Å; E93-R105 VanDerWaalsContact CD-NE 3.32Å; E93-R105 IonicContact OE1-CZ 2.77Å; E93-R105 IonicContact OE1-NE 3.46Å; E93-R105 PolarHBondContact OE1-NE 2.91Å; E93-R105 IonicContact OE1-NH1 2.93Å; E93-R105 IonicContact OE1-NH2 3.1Å; E93-R105 PolarHBondContact OE1-NH2 2.87Å; E93-R105 IonicContact OE2-CZ 3.51Å; E93-R105 VanDerWaalsContact OE2-CZ 3.3Å; E93-R105 IonicContact OE2-NE 3.57Å; E93-R105 PolarHBondContact OE2-NE 2.77Å; E93-R105 IonicContact OE2-NH2 3.02Å; E93-R105 PolarHBondContact OE2-NH2 3.07Å
94I49Very low51Low51 Ų5175.9 Ų75.926%0.26241%0.406SS..EExtended strand (participates in β ladder)trans-102.2143.8168.864.1160.3000109.4L54 G92 F96 A106 A108L54-I94 HydrophobicContact CD2-CD1 3.45Å; L54-I94 VanDerWaalsContact CD2-CD1 3.45Å; L54-I94 HydrophobicContact CD2-CG1 4.44Å; G92-I94 PolarHBondContact O-N 3Å; I94-F96 HydrophobicContact CD1-CD1 4.33Å; I94-F96 HydrophobicContact CG1-CD1 4.48Å; I94-A106 HydrophobicContact CG1-CB 4.2Å; I94-A106 WeakPolarHBondContact CG1-O 3.04Å; I94-A106 PolarHBondContact N-O 3.48Å; I94-A106 PolarHBondContact O-N 3.02Å; I94-A108 HydrophobicContact CB-CB 4.38Å; I94-A108 HydrophobicContact CD1-CB 3.86Å; I94-A108 HydrophobicContact CG1-CB 3.81Å; I94-A108 HydrophobicContact CG2-CB 3.71Å
95Y45.6Very low51.2Low108 Ų10877.1 Ų77.142%0.42440%0.403SS..EExtended strand (participates in β ladder)trans-113.3128.9176.4-60.7-85.3000108.1E93 R103 R105E93-Y95 HydrophobicContact CB-CE2 4.28Å; E93-Y95 PolarHBondContact OE2-OH 2.93Å; Y95-R103 HydrophobicContact CD1-CG 3.8Å; Y95-R105 HydrophobicContact CD1-CG 4.41Å; Y95-R105 HydrophobicContact CE1-CB 4.5Å; Y95-R105 HydrophobicContact CE1-CG 3.96Å
96F55.7Low51.3Low19 Ų1974.7 Ų74.78%0.08339%0.392CS..EExtended strand (participates in β ladder)trans-126.6162.217045-85000109.4L17 I56 I94 V104 A106L17-F96 HydrophobicContact CD1-CE2 4.19Å; L17-F96 HydrophobicContact CD2-CB 4.2Å; L17-F96 HydrophobicContact CD2-CD1 4.29Å; L17-F96 HydrophobicContact CD2-CD2 3.03Å; L17-F96 HydrophobicContact CD2-CE2 3.24Å; L17-F96 HydrophobicContact CD2-CG 3.58Å; L17-F96 HydrophobicContact CD2-CZ 4.05Å; L17-F96 HydrophobicContact CG-CD2 4.38Å; L17-F96 HydrophobicContact CG-CE2 4.3Å; I56-F96 HydrophobicContact CG2-CZ 4Å; I94-F96 HydrophobicContact CD1-CD1 4.33Å; I94-F96 HydrophobicContact CG1-CD1 4.48Å; F96-V104 HydrophobicContact CD2-CB 3.58Å; F96-V104 HydrophobicContact CD2-CG1 4.11Å; F96-V104 HydrophobicContact CD2-CG2 4.32Å; F96-V104 HydrophobicContact CE1-CG1 4.43Å; F96-V104 HydrophobicContact CE2-CB 3.22Å; F96-V104 HydrophobicContact CE2-CG1 3.21Å; F96-V104 HydrophobicContact CE2-CG2 4.07Å; F96-V104 HydrophobicContact CG-CB 4.49Å; F96-V104 HydrophobicContact CZ-CB 3.77Å; F96-V104 HydrophobicContact CZ-CG1 3.39Å; F96-V104 PolarHBondContact N-O 3.01Å; F96-V104 VanDerWaalsContact N-O 3.11Å; F96-V104 PolarHBondContact O-N 3Å; F96-A106 HydrophobicContact CD1-CB 4.45Å; F96-A106 HydrophobicContact CE1-CB 3.29Å; F96-A106 HydrophobicContact CZ-CB 3.74Å
97F47.1Very low51.8Low119 Ų11976.5 Ų76.552%0.52240%0.4SS..EExtended strand (participates in β ladder)trans-98.6120.3171.1-66.3-85.1000107.4Q102 R103F97-Q102 WeakPolarHBondContact CA-O 3.23Å; F97-R103 HydrophobicContact CE1-CB 4.48Å
98G51.9Low52.3Low15 Ų1576.5 Ų76.516%0.15540%0.4CS..  trans-70.3177.6173.800000111.7A100 N101 Q102G98-A100 PolarHBondContact O-N 3.17Å; G98-N101 WeakPolarHBondContact O-CA 3.32Å; G98-N101 PolarHBondContact O-N 3.13Å; G98-Q102 PolarHBondContact N-O 2.99Å
99A48.2Very low52.5Low113 Ų11377.8 Ų77.893%0.93441%0.408SS*.THydrogen-bonded Turntrans-56.3-26.7179.800000114.4N101A99-N101 VanDerWaalsContact C-N 3.3Å
100A66.5Low52.9Low70 Ų7075.7 Ų75.758%0.57939%0.391SS*.THydrogen-bonded Turntrans-88.412.9174.700000113.9G98 Q102G98-A100 PolarHBondContact O-N 3.17Å; A100-Q102 HydrophobicContact CB-CG 4.49Å; A100-Q102 PolarHBondContact O-N 3.09Å; A100-Q102 VanDerWaalsContact O-N 3.12Å
101N51.6Low53Low123 Ų12372.5 Ų72.566%0.65838%0.379SS*.SBendtrans58.320-176.7-157.333.6000115.1G98 A99G98-N101 WeakPolarHBondContact O-CA 3.32Å; G98-N101 PolarHBondContact O-N 3.13Å; A99-N101 VanDerWaalsContact C-N 3.3Å
102Q54.7Low53Low118 Ų11867.4 Ų67.455%0.55136%0.355SS*.  trans-84.2139.717264.7-142.3-000110.4F97 G98 A100 V104F97-Q102 WeakPolarHBondContact CA-O 3.23Å; G98-Q102 PolarHBondContact N-O 2.99Å; A100-Q102 HydrophobicContact CB-CG 4.49Å; A100-Q102 PolarHBondContact O-N 3.09Å; A100-Q102 VanDerWaalsContact O-N 3.12Å; Q102-V104 HydrophobicContact CG-CG2 4.08Å; Q102-V104 PolarHBondContact O-N 3.27Å; Q102-V104 VanDerWaalsContact O-N 3.16Å
103R49.6Very low53Low176 Ų17669.1 Ų69.166%0.66436%0.361SS*.EExtended strand (participates in β ladder)trans-65.7113.7172.9179.5-177.6-83.2-171.7-3108.4Y95 F97Y95-R103 HydrophobicContact CD1-CG 3.8Å; F97-R103 HydrophobicContact CE1-CB 4.48Å
104V54.8Low53Low31 Ų3168 Ų6819%0.18836%0.358CS..EExtended strand (participates in β ladder)trans-103.7127.2171.9-176.30000107.5F96 Q102F96-V104 HydrophobicContact CD2-CB 3.58Å; F96-V104 HydrophobicContact CD2-CG1 4.11Å; F96-V104 HydrophobicContact CD2-CG2 4.32Å; F96-V104 HydrophobicContact CE1-CG1 4.43Å; F96-V104 HydrophobicContact CE2-CB 3.22Å; F96-V104 HydrophobicContact CE2-CG1 3.21Å; F96-V104 HydrophobicContact CE2-CG2 4.07Å; F96-V104 HydrophobicContact CG-CB 4.49Å; F96-V104 HydrophobicContact CZ-CB 3.77Å; F96-V104 HydrophobicContact CZ-CG1 3.39Å; F96-V104 PolarHBondContact N-O 3.01Å; F96-V104 VanDerWaalsContact N-O 3.11Å; F96-V104 PolarHBondContact O-N 3Å; Q102-V104 HydrophobicContact CG-CG2 4.08Å; Q102-V104 PolarHBondContact O-N 3.27Å; Q102-V104 VanDerWaalsContact O-N 3.16Å
105R53.5Low53.1Low133 Ų13373.8 Ų73.850%0.50239%0.389SS..EExtended strand (participates in β ladder)trans-85.5123.9175-161.4-177.5-143.1-175.81107.4E93 Y95E93-R105 VanDerWaalsContact CD-CZ 3.42Å; E93-R105 VanDerWaalsContact CD-NE 3.32Å; E93-R105 IonicContact OE1-CZ 2.77Å; E93-R105 IonicContact OE1-NE 3.46Å; E93-R105 PolarHBondContact OE1-NE 2.91Å; E93-R105 IonicContact OE1-NH1 2.93Å; E93-R105 IonicContact OE1-NH2 3.1Å; E93-R105 PolarHBondContact OE1-NH2 2.87Å; E93-R105 IonicContact OE2-CZ 3.51Å; E93-R105 VanDerWaalsContact OE2-CZ 3.3Å; E93-R105 IonicContact OE2-NE 3.57Å; E93-R105 PolarHBondContact OE2-NE 2.77Å; E93-R105 IonicContact OE2-NH2 3.02Å; E93-R105 PolarHBondContact OE2-NH2 3.07Å; Y95-R105 HydrophobicContact CD1-CG 4.41Å; Y95-R105 HydrophobicContact CE1-CB 4.5Å; Y95-R105 HydrophobicContact CE1-CG 3.96Å
106A50.5Low53.5Low1 Ų172.4 Ų72.41%0.00839%0.389CS..EExtended strand (participates in β ladder)trans-121.5153.515700000110.5R55 I94 F96R55-A106 VanDerWaalsContact O-CA 3.23Å; R55-A106 WeakPolarHBondContact O-CA 3.27Å; R55-A106 WeakPolarHBondContact O-CB 3.41Å; I94-A106 HydrophobicContact CG1-CB 4.2Å; I94-A106 WeakPolarHBondContact CG1-O 3.04Å; I94-A106 PolarHBondContact N-O 3.48Å; I94-A106 PolarHBondContact O-N 3.02Å; F96-A106 HydrophobicContact CD1-CB 4.45Å; F96-A106 HydrophobicContact CE1-CB 3.29Å; F96-A106 HydrophobicContact CZ-CB 3.74Å
107N55.6Low53.6Low52 Ų5276.9 Ų76.928%0.27842%0.42SS..EExtended strand (participates in β ladder)trans-89.6121.7164.3-61.73.7000106.2R53 L54 R55R53-N107 VanDerWaalsContact O-O 3.05Å; L54-N107 WeakPolarHBondContact CA-O 3.04Å; R55-N107 PolarHBondContact N-O 3.21Å; R55-N107 VanDerWaalsContact N-O 3.12Å
108A55.4Low54.7Low4 Ų478.1 Ų78.13%0.03343%0.428CS..EExtended strand (participates in β ladder)trans-97.4124.8168.600000108L52 R53 L54 E91 G92 I94L52-A108 HydrophobicContact CD1-CB 3.8Å; R53-A108 CarbonylContact O-C 3.53Å; R53-A108 VanDerWaalsContact O-CA 3.26Å; R53-A108 WeakPolarHBondContact O-CA 3.06Å; L54-A108 HydrophobicContact CD2-CB 4.3Å; E91-A108 WeakPolarHBondContact CA-O 3.43Å; G92-A108 PolarHBondContact N-O 3.33Å; G92-A108 PolarHBondContact O-N 2.93Å; I94-A108 HydrophobicContact CB-CB 4.38Å; I94-A108 HydrophobicContact CD1-CB 3.86Å; I94-A108 HydrophobicContact CG1-CB 3.81Å; I94-A108 HydrophobicContact CG2-CB 3.71Å
109L56.7Low55.9Low61 Ų6177.9 Ų77.932%0.31942%0.423SS..EExtended strand (participates in β ladder)trans-106.3114.5160.8179.571.9000106.6L52 R53 E90 E91L52-L109 CarbonylContact C-O 3.45Å; L52-L109 VanDerWaalsContact CA-O 3.29Å; L52-L109 WeakPolarHBondContact CA-O 3.42Å; R53-L109 HydrophobicContact CB-CB 4.31Å; R53-L109 PolarHBondContact N-O 3.47Å; R53-L109 PolarHBondContact O-N 2.04Å; E90-L109 WeakPolarHBondContact O-CA 3.37Å; E91-L109 HydrophobicContact CB-CD1 3.75Å; E91-L109 HydrophobicContact CG-CD1 4.27Å
110I58Low57.7Low42 Ų4274.3 Ų74.322%0.21539%0.391CS..EExtended strand (participates in β ladder)trans-107.2111.9172.8-56.7175.2000107.1V50 N51 L52 C89 E90 F112V50-I110 HydrophobicContact CG1-CG2 4.12Å; N51-I110 WeakPolarHBondContact O-CA 2.94Å; L52-I110 HydrophobicContact CD1-CD1 4.13Å; L52-I110 HydrophobicContact CD1-CG1 3.51Å; C89-I110 CarbonylContact C-O 3.49Å; C89-I110 WeakPolarHBondContact CA-O 3.25Å; E90-I110 PolarHBondContact N-O 3.46Å; E90-I110 PolarHBondContact O-N 3.32Å; I110-F112 HydrophobicContact CB-CE2 4.32Å; I110-F112 HydrophobicContact CG2-CD2 3.86Å; I110-F112 HydrophobicContact CG2-CE1 4.32Å; I110-F112 HydrophobicContact CG2-CE2 3.28Å; I110-F112 HydrophobicContact CG2-CZ 3.57Å
111S53.4Low58.6Low27 Ų2771 Ų7119%0.18936%0.364CS..EExtended strand (participates in β ladder)trans-104.714116870.30000112.1N51 K88N51-S111 WeakPolarHBondContact CB-OG 3.24Å; N51-S111 PolarHBondContact N-O 2.87Å; N51-S111 PolarHBondContact O-N 3.13Å; K88-S111 CarbonylContact O-C 3.55Å; K88-S111 WeakPolarHBondContact O-CA 3.43Å; K88-S111 WeakPolarHBondContact O-CB 3.31Å
112F55Low60.4Low29 Ų2967.6 Ų67.613%0.12734%0.342CS..EExtended strand (participates in β ladder)trans-118.1123.2174-59.8-94.3000108.7M48 C49 V50 L72 A86 S87 K88 I110 N114M48-F112 HydrophobicContact CB-CD1 4.29Å; M48-F112 HydrophobicContact CG-CD1 3.61Å; M48-F112 HydrophobicContact CG-CE1 4.02Å; M48-F112 HydrophobicContact SD-CB 4.41Å; M48-F112 HydrophobicContact SD-CD1 3.08Å; M48-F112 WeakPolarHBondContact SD-CD1 2.99Å; M48-F112 HydrophobicContact SD-CE1 3.33Å; M48-F112 WeakPolarHBondContact SD-CE1 3.1Å; M48-F112 HydrophobicContact SD-CG 3.94Å; M48-F112 HydrophobicContact SD-CZ 4.33Å; C49-F112 WeakPolarHBondContact O-CA 3.37Å; C49-F112 VanDerWaalsContact O-CD1 3.28Å; C49-F112 WeakPolarHBondContact O-CD1 3.4Å; V50-F112 HydrophobicContact CG2-CD1 4.16Å; V50-F112 HydrophobicContact CG2-CE1 3.75Å; L72-F112 HydrophobicContact CD1-CE1 4.12Å; L72-F112 HydrophobicContact CD2-CE1 3.93Å; L72-F112 HydrophobicContact CG-CE1 4.42Å; A86-F112 HydrophobicContact CB-CB 4.17Å; A86-F112 HydrophobicContact CB-CD1 3.69Å; A86-F112 HydrophobicContact CB-CD2 3.78Å; A86-F112 HydrophobicContact CB-CE1 3.79Å; A86-F112 HydrophobicContact CB-CE2 3.83Å; A86-F112 HydrophobicContact CB-CG 3.62Å; A86-F112 HydrophobicContact CB-CZ 3.82Å; S87-F112 WeakPolarHBondContact O-CD2 3.19Å; S87-F112 WeakPolarHBondContact O-CE2 3.45Å; K88-F112 WeakPolarHBondContact CG-O 3.14Å; K88-F112 PolarHBondContact O-N 3.14Å; I110-F112 HydrophobicContact CB-CE2 4.32Å; I110-F112 HydrophobicContact CG2-CD2 3.86Å; I110-F112 HydrophobicContact CG2-CE1 4.32Å; I110-F112 HydrophobicContact CG2-CE2 3.28Å; I110-F112 HydrophobicContact CG2-CZ 3.57Å; F112-N114 PolarHBondContact O-N 3.42Å; F112-N114 VanDerWaalsContact O-N 3.14Å
113C48.7Very low62Low69 Ų6965.3 Ų65.347%0.46633%0.334SS..  trans-82.594.3-174.6-54.70000110.2C49C49-C113 HydrophobicContact CB-CB 4.09Å
114N50.8Low63.6Low67 Ų6757.2 Ų57.236%0.35830%0.304SS..  trans-142.3151.8150.2-87.3-26.9000105K88 F112K88-N114 WeakPolarHBondContact CD-O 3.41Å; K88-N114 WeakPolarHBondContact CE-O 3.37Å; K88-N114 PolarHBondContact NZ-O 3.01Å; F112-N114 PolarHBondContact O-N 3.42Å; F112-N114 VanDerWaalsContact O-N 3.14Å
115D51.4Low65.1Low172 Ų17259.2 Ų59.292%0.9232%0.316SS*.  trans-101.689175.5-66.5-45.7000108.9
116D53.5Low66.6Low80 Ų8056.9 Ų56.943%0.42831%0.314SS..PPolyproline II helixtrans-98.1137.4176.9-70.4-18.7000103.4K88 E118 K139K88-D116 VanDerWaalsContact CE-OD2 3.31Å; K88-D116 WeakPolarHBondContact CE-OD2 3.36Å; K88-D116 VanDerWaalsContact NZ-CA 3.32Å; K88-D116 IonicContact NZ-OD1 2.7Å; K88-D116 PolarHBondContact NZ-OD1 2.8Å; K88-D116 IonicContact NZ-OD2 3.26Å; K88-D116 PolarHBondContact NZ-OD2 3.26Å; D116-E118 PolarHBondContact O-N 3.25Å; D116-E118 VanDerWaalsContact O-N 3.13Å; D116-K139 IonicContact OD2-NZ 3.67Å
117P57.8Low68.1Low113 Ų11359 Ų5973%0.73434%0.335SS*.PPolyproline II helixtrans-56.6123.7177.923.9-32.3000109.1
118E72.1Confident69.3Low145 Ų14562 Ų6268%0.67835%0.351SS*.PPolyproline II helixtrans-65.8143.3166.2-60.6-176145.700108.5D116 I137D116-E118 PolarHBondContact O-N 3.25Å; D116-E118 VanDerWaalsContact O-N 3.13Å; E118-I137 HydrophobicContact CB-CG2 3.57Å; E118-I137 HydrophobicContact CG-CG2 4.19Å; E118-I137 WeakPolarHBondContact OE2-CG2 3.42Å
119V77.1Confident70.3Confident9 Ų967.8 Ų67.86%0.05538%0.381CS..EExtended strand (participates in β ladder)trans-112.1141.4177.8-65.40000110G138 T205 D207V119-G138 VanDerWaalsContact CG2-O 3.25Å; V119-G138 WeakPolarHBondContact CG2-O 3.38Å; V119-G138 PolarHBondContact N-O 2.83Å; V119-G138 PolarHBondContact O-N 2.92Å; V119-G138 VanDerWaalsContact O-N 3.08Å; V119-T205 WeakPolarHBondContact CG1-O 3.29Å; V119-D207 WeakPolarHBondContact CA-OD1 3.48Å
120S85.2Confident71.5Confident38 Ų3867 Ų6727%0.26638%0.379SS..EExtended strand (participates in β ladder)trans-84.7128.9172-61.50000109.7D207 F208S120-D207 PolarHBondContact N-OD1 2.91Å; S120-D207 CarbonylContact O-C 3.54Å; S120-D207 WeakPolarHBondContact O-CA 3.18Å; S120-F208 PolarHBondContact O-N 3.2Å
121C86.1Confident72.6Confident0 Ų066.2 Ų66.20%038%0.382CS..EExtended strand (participates in β ladder)trans-124.1150.4-174.8-55.10000111.1D123 A135 C136 C141 C158C121-D123 PolarHBondContact O-N 2.9Å; C121-A135 WeakPolarHBondContact O-CA 3.37Å; C121-A135 VanDerWaalsContact O-CB 3.32Å; C121-A135 WeakPolarHBondContact O-CB 3.21Å; C121-C136 PolarHBondContact N-O 2.89Å; C121-C136 PolarHBondContact O-N 2.71Å; C121-C136 VanDerWaalsContact O-N 3.08Å; C121-C141 WeakPolarHBondContact CA-SG 2.94Å; C121-C141 HydrophobicContact CB-CB 3.65Å; C121-C141 WeakPolarHBondContact CB-SG 2.81Å; C121-C141 WeakPolarHBondContact SG-CA 3.46Å; C121-C141 WeakPolarHBondContact SG-CB 3.34Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 2.76Å; C121-C158 HydrophobicContact CB-CB 4.04Å
122Y88.8Confident74.1Confident53 Ų5371.3 Ų71.321%0.20840%0.401CS..  trans-64.6135.6166.2-68.8-68.1000109.8K132 Q156 T157 F208 N210Y122-K132 HydrophobicContact CE1-CG 4.32Å; Y122-Q156 CarbonylContact O-C 3.57Å; Y122-T157 VanDerWaalsContact O-CA 3.3Å; Y122-T157 WeakPolarHBondContact O-CA 3.3Å; Y122-T157 PolarHBondContact O-N 3.2Å; Y122-T157 VanDerWaalsContact O-N 3.16Å; Y122-F208 HydrophobicContact CD1-CD1 4.08Å; Y122-F208 HydrophobicContact CD2-CB 4.1Å; Y122-F208 HydrophobicContact CD2-CD1 4.09Å; Y122-F208 AromaticContact CE1-CD1 3.97Å; Y122-F208 HydrophobicContact CE1-CD1 3.97Å; Y122-F208 HydrophobicContact CE2-CB 3.6Å; Y122-F208 AromaticContact CE2-CD1 3.99Å; Y122-F208 HydrophobicContact CE2-CD1 3.99Å; Y122-F208 HydrophobicContact CE2-CG 4.2Å; Y122-F208 HydrophobicContact CG-CD1 4.14Å; Y122-F208 AromaticContact CZ-CD1 3.92Å; Y122-N210 WeakPolarHBondContact CD2-OD1 3.45Å; Y122-N210 PolarHBondContact N-OD1 3.36Å; Y122-N210 VanDerWaalsContact N-OD1 3.08Å; Y122-N210 PolarHBondContact O-ND2 2.82Å
123D87.2Confident75.3Confident69 Ų6979.4 Ų79.437%0.36944%0.439SS..  trans-121.6100.5175.3-165.731.3000109.9C121 T134 C136 Q156 T157C121-D123 PolarHBondContact O-N 2.9Å; D123-T134 VanDerWaalsContact CB-O 3.29Å; D123-T134 WeakPolarHBondContact CB-O 3.32Å; D123-C136 HydrophobicContact CB-CB 4.11Å; D123-Q156 CarbonylContact C-O 3.56Å; D123-Q156 VanDerWaalsContact CA-O 3.27Å; D123-Q156 WeakPolarHBondContact CA-O 3.04Å; D123-T157 VanDerWaalsContact OD1-CB 3.26Å; D123-T157 WeakPolarHBondContact OD1-CB 3.37Å; D123-T157 PolarHBondContact OD1-OG1 3.34Å
124C84.4Confident76.7Confident7 Ų779.1 Ų79.15%0.04744%0.435CS..EExtended strand (participates in β ladder)trans-162.5158.4-171.277.70000112.6I128 C130 Q156C124-I128 WeakPolarHBondContact CB-O 3.48Å; C124-C130 HydrophobicContact CB-CB 3.52Å; C124-C130 WeakPolarHBondContact CB-SG 3.4Å; C124-C130 WeakPolarHBondContact SG-CB 3.35Å; C124-C130 CovalentContact SG-SG 2.05Å; C124-C130 PolarHBondContact SG-SG 3.2Å; C124-Q156 PolarHBondContact N-O 2.87Å; C124-Q156 PolarHBondContact O-N 3.01Å; C124-Q156 PolarHBondContact SG-OE1 3Å
125V86.3Confident78.2Confident73 Ų7377.6 Ų77.644%0.44243%0.432SS..EExtended strand (participates in β ladder)trans-121.5127.1175.4-178.40000108.9G127 I128 T153 V154 V155V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.17Å; V125-I128 VanDerWaalsContact O-CB 3.3Å; V125-I128 WeakPolarHBondContact O-CB 3.42Å; V125-I128 WeakPolarHBondContact O-CG1 3.44Å; V125-I128 PolarHBondContact O-N 2.9Å; V125-T153 HydrophobicContact CG1-CG2 4.14Å; V125-V154 CarbonylContact C-O 3.49Å; V125-V154 WeakPolarHBondContact CA-O 3.26Å; V125-V155 HydrophobicContact CG1-CG2 4.44Å; V125-V155 HydrophobicContact CG2-CG2 4.38Å
126N84.9Confident79.5Confident83 Ų8370.4 Ų70.444%0.44440%0.395SS..THydrogen-bonded Turntrans52.134.4-178.4-62.4-31000113.4I128 T153 V154N126-I128 PolarHBondContact O-N 3.33Å; N126-T153 VanDerWaalsContact OD1-CA 3.31Å; N126-T153 WeakPolarHBondContact OD1-CA 3.37Å; N126-V154 PolarHBondContact N-O 3.03Å; N126-V154 PolarHBondContact OD1-N 3.39Å; N126-V154 PolarHBondContact OD1-O 2.69Å
127G82.3Confident80.6Confident45 Ų4571.7 Ų71.746%0.46440%0.401SS..THydrogen-bonded Turntrans72.80.1-177.100000115.1V125 N129 C130V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.17Å; G127-N129 PolarHBondContact O-N 2.62Å; G127-C130 PolarHBondContact O-N 2.91Å
128I80.2Confident81.3Confident117 Ų11766.8 Ų66.860%0.637%0.371SS*.BIsolated β-bridgetrans-73.9124.3178.9-56.6173.8000108.8C124 V125 N126 C130C124-I128 WeakPolarHBondContact CB-O 3.48Å; V125-I128 VanDerWaalsContact O-CB 3.3Å; V125-I128 WeakPolarHBondContact O-CB 3.42Å; V125-I128 WeakPolarHBondContact O-CG1 3.44Å; V125-I128 PolarHBondContact O-N 2.9Å; N126-I128 PolarHBondContact O-N 3.33Å; I128-C130 VanDerWaalsContact C-N 3.28Å; I128-C130 PolarHBondContact O-N 3.44Å
129N76.5Confident81.5Confident125 Ų12561.2 Ų61.267%0.66835%0.345SS*.THydrogen-bonded Turntrans58.534.7-175.8-58.3-25.8000113.7G127 G131 T134G127-N129 PolarHBondContact O-N 2.62Å; N129-G131 VanDerWaalsContact C-N 3.27Å; N129-G131 PolarHBondContact O-N 2.6Å; N129-T134 PolarHBondContact O-OG1 3.02Å
130C81.6Confident81.6Confident43 Ų4361.9 Ų61.929%0.29135%0.346SS..  trans-82.468.3178.8-136.80000112.4C124 G127 I128C124-C130 HydrophobicContact CB-CB 3.52Å; C124-C130 WeakPolarHBondContact CB-SG 3.4Å; C124-C130 WeakPolarHBondContact SG-CB 3.35Å; C124-C130 CovalentContact SG-SG 2.05Å; C124-C130 PolarHBondContact SG-SG 3.2Å; G127-C130 PolarHBondContact O-N 2.91Å; I128-C130 VanDerWaalsContact C-N 3.28Å; I128-C130 PolarHBondContact O-N 3.44Å
131G82.4Confident81.7Confident27 Ų2760 Ų6028%0.27833%0.334SS..SBendtrans-111.8167.2178.300000112.4N129 E133 T134N129-G131 VanDerWaalsContact C-N 3.27Å; N129-G131 PolarHBondContact O-N 2.6Å; G131-E133 PolarHBondContact O-N 3.12Å; G131-T134 PolarHBondContact N-OG1 3.26Å; G131-T134 PolarHBondContact O-OG1 2.87Å
132K83.8Confident81.7Confident134 Ų13460.4 Ų60.458%0.58334%0.336SS*.SBendtrans-70.2-19.5168.4-65.2-169.9174.5-176.50112.4Y122 T134 A135 F208Y122-K132 HydrophobicContact CE1-CG 4.32Å; K132-T134 VanDerWaalsContact C-N 3.3Å; K132-A135 WeakPolarHBondContact O-CB 3.34Å; K132-A135 PolarHBondContact O-N 2.75Å; K132-F208 HydrophobicContact CB-CE1 4.18Å; K132-F208 HydrophobicContact CB-CZ 4.1Å; K132-F208 HydrophobicContact CD-CE1 4.36Å; K132-F208 HydrophobicContact CD-CE2 3.98Å; K132-F208 HydrophobicContact CD-CZ 3.9Å; K132-F208 HydrophobicContact CG-CD1 4.28Å; K132-F208 HydrophobicContact CG-CE1 3.75Å; K132-F208 HydrophobicContact CG-CE2 4.27Å; K132-F208 HydrophobicContact CG-CZ 3.74Å
133E80Confident81.8Confident198 Ų19858.4 Ų58.493%0.92533%0.328SS*.THydrogen-bonded Turntrans-78.2-19.9-176.9-48-154.2-153.900112.7G131G131-E133 PolarHBondContact O-N 3.12Å
134T79.3Confident81.7Confident63 Ų6355.9 Ų55.939%0.38732%0.316SS..THydrogen-bonded Turntrans-102.213.9171.9500000111.4D123 N129 G131 K132D123-T134 VanDerWaalsContact CB-O 3.29Å; D123-T134 WeakPolarHBondContact CB-O 3.32Å; N129-T134 PolarHBondContact O-OG1 3.02Å; G131-T134 PolarHBondContact N-OG1 3.26Å; G131-T134 PolarHBondContact O-OG1 2.87Å; K132-T134 VanDerWaalsContact C-N 3.3Å
135A82.1Confident81.8Confident35 Ų3558.3 Ų58.329%0.28932%0.324SS..  trans-62.8143.7-17700000111.6C121 K132 F208C121-A135 WeakPolarHBondContact O-CA 3.37Å; C121-A135 VanDerWaalsContact O-CB 3.32Å; C121-A135 WeakPolarHBondContact O-CB 3.21Å; K132-A135 WeakPolarHBondContact O-CB 3.34Å; K132-A135 PolarHBondContact O-N 2.75Å; A135-F208 HydrophobicContact CB-CE1 3.8Å; A135-F208 HydrophobicContact CB-CZ 4.24Å
136C78.8Confident81.4Confident22 Ų2256.6 Ų56.615%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-109.9156.2170.675.80000110.5C121 D123 C158C121-C136 PolarHBondContact N-O 2.89Å; C121-C136 PolarHBondContact O-N 2.71Å; C121-C136 VanDerWaalsContact O-N 3.08Å; D123-C136 HydrophobicContact CB-CB 4.11Å; C136-C158 HydrophobicContact CB-CB 4.27Å; C136-C158 WeakPolarHBondContact CB-SG 3.46Å; C136-C158 VanDerWaalsContact SG-CA 3.58Å; C136-C158 WeakPolarHBondContact SG-CB 3.23Å; C136-C158 PolarHBondContact SG-N 2.95Å; C136-C158 CovalentContact SG-SG 2.04Å; C136-C158 PolarHBondContact SG-SG 3.22Å
137I76.2Confident81.3Confident106 Ų10655.3 Ų55.354%0.54431%0.307SS..EExtended strand (participates in β ladder)trans-109.6131.2-174.4-60.2176.5000108.3E118E118-I137 HydrophobicContact CB-CG2 3.57Å; E118-I137 HydrophobicContact CG-CG2 4.19Å; E118-I137 WeakPolarHBondContact OE2-CG2 3.42Å
138G72.9Confident81.1Confident11 Ų1157 Ų5711%0.11330%0.304CS..EExtended strand (participates in β ladder)trans-164-169.4176.600000112.4V119V119-G138 VanDerWaalsContact CG2-O 3.25Å; V119-G138 WeakPolarHBondContact CG2-O 3.38Å; V119-G138 PolarHBondContact N-O 2.83Å; V119-G138 PolarHBondContact O-N 2.92Å; V119-G138 VanDerWaalsContact O-N 3.08Å
139K74.5Confident80.9Confident28 Ų2855 Ų5512%0.12230%0.295CS..SBendtrans-83.4-31.9177.6-78.3-169.9167.9-165.70113.6A86 D116 S159A86-K139 PolarHBondContact O-NZ 2.73Å; D116-K139 IonicContact OD2-NZ 3.67Å; K139-S159 PolarHBondContact N-O 2.89Å
140Y80.8Confident81Confident22 Ų2256.1 Ų56.19%0.08630%0.301CS..EExtended strand (participates in β ladder)trans-131.9137.2-175.8-54.5-81.1000108.6N84 C158 S159 F170 C204 T205N84-Y140 PolarHBondContact O-OH 3.46Å; Y140-C158 CarbonylContact O-C 3.54Å; Y140-C158 WeakPolarHBondContact O-CA 3.35Å; Y140-S159 PolarHBondContact N-O 3.27Å; Y140-S159 PolarHBondContact O-N 2.81Å; Y140-F170 AromaticContact CD1-CZ 3.81Å; Y140-F170 HydrophobicContact CD1-CZ 3.81Å; Y140-F170 HydrophobicContact CE1-CE2 4.11Å; Y140-F170 AromaticContact CE1-CZ 3.71Å; Y140-F170 HydrophobicContact CE1-CZ 3.71Å; Y140-C204 CarbonylContact C-O 3.51Å; Y140-C204 WeakPolarHBondContact CA-O 3.43Å; Y140-T205 HydrophobicContact CD1-CG2 3.75Å; Y140-T205 HydrophobicContact CE1-CG2 3.9Å
141C86.1Confident80.9Confident0 Ų064 Ų640%032%0.324CS..EExtended strand (participates in β ladder)trans-87139.2162.2-53.50000109.4C121 Y203 C204 C209 N210C121-C141 WeakPolarHBondContact CA-SG 2.94Å; C121-C141 HydrophobicContact CB-CB 3.65Å; C121-C141 WeakPolarHBondContact CB-SG 2.81Å; C121-C141 WeakPolarHBondContact SG-CA 3.46Å; C121-C141 WeakPolarHBondContact SG-CB 3.34Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 2.76Å; C141-Y203 CarbonylContact O-C 3.14Å; C141-Y203 VanDerWaalsContact O-CA 3.28Å; C141-Y203 WeakPolarHBondContact O-CA 3.26Å; C141-C204 PolarHBondContact N-O 2.85Å; C141-C204 PolarHBondContact O-N 3.16Å; C141-C209 VanDerWaalsContact CB-SG 3.54Å; C141-N210 HydrophobicContact CB-CB 3.79Å
142V87.3Confident81.1Confident7 Ų767 Ų674%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-118.4136.2-178.2-168.90000109Q156 T157 S159 C202 Y203 N210V142-Q156 VanDerWaalsContact O-CA 3.32Å; V142-Q156 WeakPolarHBondContact O-CA 3.06Å; V142-T157 HydrophobicContact CB-CG2 4.43Å; V142-T157 PolarHBondContact N-O 2.92Å; V142-T157 PolarHBondContact O-N 2.76Å; V142-S159 VanDerWaalsContact CG2-CB 3.47Å; V142-C202 CarbonylContact C-O 3.49Å; V142-C202 VanDerWaalsContact CA-O 3.3Å; V142-C202 WeakPolarHBondContact CA-O 3.39Å; V142-Y203 HydrophobicContact CB-CE1 4.34Å; V142-Y203 HydrophobicContact CG1-CD1 4.46Å; V142-Y203 HydrophobicContact CG1-CE1 4.02Å; V142-Y203 HydrophobicContact CG1-CE2 4.37Å; V142-Y203 HydrophobicContact CG2-CD1 3.6Å; V142-Y203 HydrophobicContact CG2-CE1 3.38Å; V142-Y203 HydrophobicContact CG2-CG 4.49Å; V142-N210 WeakPolarHBondContact O-CB 3.32Å; V142-N210 PolarHBondContact O-ND2 2.67Å
143K90.1Very high81Confident12 Ų1263.3 Ų63.35%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-122.9123.2162.6-163.4177.6-172.31550107.9V154 V155 Q156 C202 N210 V212 D213 F214K143-V154 HydrophobicContact CG-CG1 4.33Å; K143-V155 CarbonylContact C-O 3.43Å; K143-V155 WeakPolarHBondContact CA-O 3.2Å; K143-Q156 HydrophobicContact CB-CG 4.35Å; K143-Q156 HydrophobicContact CD-CG 4.28Å; K143-Q156 HydrophobicContact CG-CG 3.72Å; K143-C202 PolarHBondContact N-O 3.02Å; K143-C202 PolarHBondContact O-N 2.77Å; K143-N210 HydrophobicContact CB-CB 4.12Å; K143-N210 WeakPolarHBondContact CD-O 3.18Å; K143-V212 VanDerWaalsContact CD-O 3.29Å; K143-V212 WeakPolarHBondContact CD-O 3.18Å; K143-V212 WeakPolarHBondContact CE-O 3.39Å; K143-V212 PolarHBondContact NZ-O 2.8Å; K143-D213 IonicContact NZ-OD1 3.57Å; K143-F214 HydrophobicContact CB-CE2 4.29Å; K143-F214 HydrophobicContact CB-CZ 3.98Å; K143-F214 HydrophobicContact CD-CD2 3.97Å; K143-F214 HydrophobicContact CD-CE2 3.57Å; K143-F214 HydrophobicContact CD-CZ 3.99Å; K143-F214 HydrophobicContact CG-CD2 4.34Å; K143-F214 HydrophobicContact CG-CE2 3.44Å; K143-F214 VanDerWaalsContact CG-CE2 3.44Å; K143-F214 HydrophobicContact CG-CZ 3.65Å; K143-F214 WeakPolarHBondContact O-CZ 3.21Å
144S85.6Confident81.4Confident16 Ų1654.9 Ų54.911%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-120.2133.1178.8-56.50000109.8V154 V155 E200 H201S144-V154 CarbonylContact O-C 3.47Å; S144-V154 VanDerWaalsContact O-CA 3.22Å; S144-V154 WeakPolarHBondContact O-CA 3.3Å; S144-V155 PolarHBondContact N-O 3.13Å; S144-V155 PolarHBondContact O-N 2.77Å; S144-E200 CarbonylContact C-O 3.54Å; S144-E200 VanDerWaalsContact CA-O 3.23Å; S144-E200 WeakPolarHBondContact CA-O 2.95Å; S144-H201 WeakPolarHBondContact CB-ND1 3.45Å; S144-H201 PolarHBondContact OG-ND1 3.07Å
145R86Confident81.7Confident58 Ų5854.2 Ų54.222%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-120.9111.9172.1175.1-177.9-173.6-140.4-1.3108.8E152 T153 V154 S199 E200 F214R145-E152 HydrophobicContact CG-CG 4.17Å; R145-E152 IonicContact CZ-OE1 2.86Å; R145-E152 IonicContact NE-OE1 2.87Å; R145-E152 PolarHBondContact NE-OE1 3.11Å; R145-E152 IonicContact NH2-OE1 2.67Å; R145-E152 PolarHBondContact NH2-OE1 2.89Å; R145-T153 CarbonylContact C-O 3.47Å; R145-T153 WeakPolarHBondContact CA-O 3.46Å; R145-V154 HydrophobicContact CB-CG2 4.3Å; R145-V154 HydrophobicContact CG-CG2 4.2Å; R145-S199 CarbonylContact O-C 3.58Å; R145-S199 VanDerWaalsContact O-CA 3.32Å; R145-S199 WeakPolarHBondContact O-CA 2.98Å; R145-E200 PolarHBondContact N-O 2.04Å; R145-E200 PolarHBondContact O-N 2.04Å; R145-F214 HydrophobicContact CB-CD2 3.74Å; R145-F214 HydrophobicContact CB-CE2 3.37Å; R145-F214 HydrophobicContact CB-CG 4.47Å; R145-F214 HydrophobicContact CB-CZ 3.84Å; R145-F214 HydrophobicContact CG-CD2 4.44Å; R145-F214 HydrophobicContact CG-CE2 4.49Å
146T78.5Confident82Confident37 Ų3753.2 Ų53.223%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-110127.8179.1-51.20000109.6I148 E152 T153 I197 S198 S199T146-I148 HydrophobicContact CG2-CD1 4.4Å; T146-I148 HydrophobicContact CG2-CG1 4.07Å; T146-E152 CarbonylContact O-C 3.59Å; T146-E152 WeakPolarHBondContact O-CA 3.46Å; T146-T153 PolarHBondContact N-O 3.29Å; T146-T153 PolarHBondContact O-N 2.91Å; T146-I197 HydrophobicContact CG2-CG2 4.27Å; T146-S198 CarbonylContact C-O 3.49Å; T146-S198 WeakPolarHBondContact CA-O 3.37Å; T146-S199 PolarHBondContact OG1-OG 2.86Å
147L82.9Confident82.2Confident56 Ų5654.3 Ų54.329%0.29327%0.273SS..EExtended strand (participates in β ladder)trans-111.8122.3173.9-172.272.2000108.8R151 E152 I197 S198L147-R151 WeakPolarHBondContact CA-O 3.28Å; L147-E152 HydrophobicContact CD1-CB 4.2Å; L147-I197 WeakPolarHBondContact O-CA 3.36Å; L147-S198 PolarHBondContact N-O 2.78Å; L147-S198 PolarHBondContact O-N 3.46Å
148I78.3Confident82.4Confident79 Ų7950.8 Ų50.841%0.40526%0.258SS..EExtended strand (participates in β ladder)trans-121.9108.8175.5-56.7178.5000108.2T146 D150 R151 V195 H196 I197T146-I148 HydrophobicContact CG2-CD1 4.4Å; T146-I148 HydrophobicContact CG2-CG1 4.07Å; I148-D150 PolarHBondContact O-N 2.77Å; I148-D150 VanDerWaalsContact O-N 3.07Å; I148-R151 PolarHBondContact N-O 3.04Å; I148-R151 PolarHBondContact O-N 2.85Å; I148-V195 HydrophobicContact CG2-CG1 3.56Å; I148-H196 WeakPolarHBondContact CA-O 3.2Å; I148-I197 HydrophobicContact CG1-CG1 4.44Å; I148-I197 HydrophobicContact CG1-CG2 4.47Å
149N74.5Confident82.5Confident75 Ų7551.5 Ų51.540%0.40126%0.261SS..THydrogen-bonded Turntrans47.734.1179.8-65.6-10.6000114.8N194 V195 H196N149-N194 PolarHBondContact OD1-O 3.46Å; N149-V195 WeakPolarHBondContact OD1-CA 3Å; N149-H196 PolarHBondContact N-O 2.98Å; N149-H196 PolarHBondContact OD1-N 3.25Å
150D78.6Confident82.1Confident149 Ų14952 Ų5280%0.79727%0.271SS*.THydrogen-bonded Turntrans93.7-6.5-175.3-45.7-39.2000116.5I148I148-D150 PolarHBondContact O-N 2.77Å; I148-D150 VanDerWaalsContact O-N 3.07Å
151R80.4Confident81.4Confident208 Ų20854.6 Ų54.679%0.78529%0.285SS*.EExtended strand (participates in β ladder)trans-87.9115.4169.9-67.6-171.2-179.3-173.80.6110.6L147 I148L147-R151 WeakPolarHBondContact CA-O 3.28Å; I148-R151 PolarHBondContact N-O 3.04Å; I148-R151 PolarHBondContact O-N 2.85Å
152E86.6Confident80.5Confident90 Ų9054.6 Ų54.642%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-87.9141.5176.2-176.5174.6-76.900111.4R145 T146 L147 V154R145-E152 HydrophobicContact CG-CG 4.17Å; R145-E152 IonicContact CZ-OE1 2.86Å; R145-E152 IonicContact NE-OE1 2.87Å; R145-E152 PolarHBondContact NE-OE1 3.11Å; R145-E152 IonicContact NH2-OE1 2.67Å; R145-E152 PolarHBondContact NH2-OE1 2.89Å; T146-E152 CarbonylContact O-C 3.59Å; T146-E152 WeakPolarHBondContact O-CA 3.46Å; L147-E152 HydrophobicContact CD1-CB 4.2Å; E152-V154 HydrophobicContact CG-CG2 4.17Å
153T81.9Confident79.4Confident58 Ų5857.7 Ų57.736%0.35631%0.305SS..EExtended strand (participates in β ladder)trans-135.3126.2165.5-59.60000108.8V125 N126 R145 T146 V155V125-T153 HydrophobicContact CG1-CG2 4.14Å; N126-T153 VanDerWaalsContact OD1-CA 3.31Å; N126-T153 WeakPolarHBondContact OD1-CA 3.37Å; R145-T153 CarbonylContact C-O 3.47Å; R145-T153 WeakPolarHBondContact CA-O 3.46Å; T146-T153 PolarHBondContact N-O 3.29Å; T146-T153 PolarHBondContact O-N 2.91Å; T153-V155 HydrophobicContact CG2-CG2 4.09Å
154V87.3Confident78.2Confident20 Ų2057.3 Ų57.312%0.12130%0.304CS..EExtended strand (participates in β ladder)trans-108.5128.4174.4-179.20000108.5V125 N126 K143 S144 R145 E152 F214V125-V154 CarbonylContact C-O 3.49Å; V125-V154 WeakPolarHBondContact CA-O 3.26Å; N126-V154 PolarHBondContact N-O 3.03Å; N126-V154 PolarHBondContact OD1-N 3.39Å; N126-V154 PolarHBondContact OD1-O 2.69Å; K143-V154 HydrophobicContact CG-CG1 4.33Å; S144-V154 CarbonylContact O-C 3.47Å; S144-V154 VanDerWaalsContact O-CA 3.22Å; S144-V154 WeakPolarHBondContact O-CA 3.3Å; R145-V154 HydrophobicContact CB-CG2 4.3Å; R145-V154 HydrophobicContact CG-CG2 4.2Å; E152-V154 HydrophobicContact CG-CG2 4.17Å; V154-F214 HydrophobicContact CG1-CE2 4.36Å
155V85.6Confident76.5Confident49 Ų4957.6 Ų57.630%0.29731%0.307SS..EExtended strand (participates in β ladder)trans-122.9130177-178.60000108.6V125 K143 S144 T153V125-V155 HydrophobicContact CG1-CG2 4.44Å; V125-V155 HydrophobicContact CG2-CG2 4.38Å; K143-V155 CarbonylContact C-O 3.43Å; K143-V155 WeakPolarHBondContact CA-O 3.2Å; S144-V155 PolarHBondContact N-O 3.13Å; S144-V155 PolarHBondContact O-N 2.77Å; T153-V155 HydrophobicContact CG2-CG2 4.09Å
156Q88.1Confident74.9Confident15 Ų1559.3 Ų59.37%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-116.3129.4171.8-72.4156.3-82.700106.9Y122 D123 C124 V142 K143 N210Y122-Q156 CarbonylContact O-C 3.57Å; D123-Q156 CarbonylContact C-O 3.56Å; D123-Q156 VanDerWaalsContact CA-O 3.27Å; D123-Q156 WeakPolarHBondContact CA-O 3.04Å; C124-Q156 PolarHBondContact N-O 2.87Å; C124-Q156 PolarHBondContact O-N 3.01Å; C124-Q156 PolarHBondContact SG-OE1 3Å; V142-Q156 VanDerWaalsContact O-CA 3.32Å; V142-Q156 WeakPolarHBondContact O-CA 3.06Å; K143-Q156 HydrophobicContact CB-CG 4.35Å; K143-Q156 HydrophobicContact CD-CG 4.28Å; K143-Q156 HydrophobicContact CG-CG 3.72Å; Q156-N210 PolarHBondContact NE2-O 2.79Å
157T85Confident73.5Confident44 Ų4464.2 Ų64.227%0.2735%0.35SS..EExtended strand (participates in β ladder)trans-161.9-177178.2-163.60000110.7Y122 D123 V142 N210Y122-T157 VanDerWaalsContact O-CA 3.3Å; Y122-T157 WeakPolarHBondContact O-CA 3.3Å; Y122-T157 PolarHBondContact O-N 3.2Å; Y122-T157 VanDerWaalsContact O-N 3.16Å; D123-T157 VanDerWaalsContact OD1-CB 3.26Å; D123-T157 WeakPolarHBondContact OD1-CB 3.37Å; D123-T157 PolarHBondContact OD1-OG1 3.34Å; V142-T157 HydrophobicContact CB-CG2 4.43Å; V142-T157 PolarHBondContact N-O 2.92Å; V142-T157 PolarHBondContact O-N 2.76Å; T157-N210 PolarHBondContact N-ND2 3.13Å; T157-N210 PolarHBondContact O-ND2 2.88Å
158C80.2Confident72.3Confident33 Ų3366.4 Ų66.422%0.22336%0.357CS..EExtended strand (participates in β ladder)trans-100.7155.417347.10000110.5C121 C136 Y140C121-C158 HydrophobicContact CB-CB 4.04Å; C136-C158 HydrophobicContact CB-CB 4.27Å; C136-C158 WeakPolarHBondContact CB-SG 3.46Å; C136-C158 VanDerWaalsContact SG-CA 3.58Å; C136-C158 WeakPolarHBondContact SG-CB 3.23Å; C136-C158 PolarHBondContact SG-N 2.95Å; C136-C158 CovalentContact SG-SG 2.04Å; C136-C158 PolarHBondContact SG-SG 3.22Å; Y140-C158 CarbonylContact O-C 3.54Å; Y140-C158 WeakPolarHBondContact O-CA 3.35Å
159S73.9Confident71.5Confident26 Ų2667.9 Ų67.918%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-139.6143.3174.6-177.40000110.5K139 Y140 V142 I161K139-S159 PolarHBondContact N-O 2.89Å; Y140-S159 PolarHBondContact N-O 3.27Å; Y140-S159 PolarHBondContact O-N 2.81Å; V142-S159 VanDerWaalsContact CG2-CB 3.47Å; S159-I161 VanDerWaalsContact C-N 3.3Å; S159-I161 WeakPolarHBondContact CB-O 3.41Å; S159-I161 PolarHBondContact OG-N 3.12Å; S159-I161 VanDerWaalsContact OG-N 3.12Å; S159-I161 PolarHBondContact OG-O 2.88Å
160A67.5Low71.2Confident39 Ų3967.3 Ų67.332%0.32237%0.368SS..SBendtrans-77.7-19170.500000112.3
161I64.8Low70.7Confident75 Ų7564 Ų6439%0.38535%0.35SS..  trans-130.4152.8-17663.9171.6000112.5S159 Y203S159-I161 VanDerWaalsContact C-N 3.3Å; S159-I161 WeakPolarHBondContact CB-O 3.41Å; S159-I161 PolarHBondContact OG-N 3.12Å; S159-I161 VanDerWaalsContact OG-N 3.12Å; S159-I161 PolarHBondContact OG-O 2.88Å; I161-Y203 WeakPolarHBondContact O-CE1 3.47Å
162S67.5Low69.8Low1 Ų159.6 Ų59.61%0.00736%0.359CS..  trans-117.6110.7165-176.40000109.5H85 L164 A165H85-S162 PolarHBondContact CE1-O 2.83Å; S162-L164 PolarHBondContact O-N 3.1Å; S162-A165 PolarHBondContact O-N 2.84Å
163P64.2Low68.8Low71 Ų7160.3 Ų60.346%0.46137%0.369SS..THydrogen-bonded Turntrans-69.6-8.417630.5-34.3000112.7Y203P163-Y203 VanDerWaalsContact CD-OH 3.26Å; P163-Y203 WeakPolarHBondContact CD-OH 3.12Å; P163-Y203 HydrophobicContact CG-CE2 4.27Å; P163-Y203 WeakPolarHBondContact CG-OH 3.27Å
164L64Low68.4Low5 Ų558.4 Ų58.43%0.02636%0.361CS..THydrogen-bonded Turntrans-83.3-21.1177.5-56.5-167000113S162 L167 K168 A176 A178 Y180 Y203S162-L164 PolarHBondContact O-N 3.1Å; L164-L167 CarbonylContact O-C 3.6Å; L164-L167 VanDerWaalsContact O-CA 3.32Å; L164-L167 WeakPolarHBondContact O-CA 3.49Å; L164-L167 VanDerWaalsContact O-CB 3.27Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.02Å; L164-K168 PolarHBondContact O-N 3.49Å; L164-A176 HydrophobicContact CD1-CB 4.48Å; L164-A176 WeakPolarHBondContact CD1-O 3.42Å; L164-A178 HydrophobicContact CD1-CB 3.81Å; L164-A178 HydrophobicContact CD2-CB 3.32Å; L164-A178 HydrophobicContact CG-CB 4.2Å; L164-Y180 HydrophobicContact CD2-CE2 4.48Å; L164-Y180 WeakPolarHBondContact CD2-OH 3.38Å; L164-Y203 HydrophobicContact CD1-CD2 3.64Å; L164-Y203 HydrophobicContact CD1-CE2 4.07Å; L164-Y203 HydrophobicContact CG-CD2 3.79Å; L164-Y203 HydrophobicContact CG-CE2 3.9Å
165A50.8Low68Low21 Ų2158.6 Ų58.617%0.17436%0.363CS..THydrogen-bonded Turntrans-89.7145.3168.700000107.7H85 S162 L167H85-A165 WeakPolarHBondContact CE1-CA 3.29Å; H85-A165 WeakPolarHBondContact CE1-CB 3.26Å; H85-A165 PolarHBondContact CE1-O 3.13Å; H85-A165 WeakPolarHBondContact NE2-CB 3.35Å; H85-A165 PolarHBondContact NE2-O 3.45Å; S162-A165 PolarHBondContact O-N 2.84Å; A165-L167 VanDerWaalsContact C-N 3.31Å
166P52.6Low67.8Low95 Ų9556.5 Ų56.562%0.61735%0.351SS*.THydrogen-bonded Turncis-79.6-0.15.332-35.9000114.8K168P166-K168 VanDerWaalsContact C-N 3.28Å; P166-K168 PolarHBondContact O-N 3.29Å
167L48.1Very low67.7Low140 Ų14057.7 Ų57.773%0.73336%0.36SS*.THydrogen-bonded Turntrans-66.6-24.7-168.2-55.9173000114.1L164 A165L164-L167 CarbonylContact O-C 3.6Å; L164-L167 VanDerWaalsContact O-CA 3.32Å; L164-L167 WeakPolarHBondContact O-CA 3.49Å; L164-L167 VanDerWaalsContact O-CB 3.27Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.02Å; A165-L167 VanDerWaalsContact C-N 3.31Å
168K58.8Low67.3Low102 Ų10256.1 Ų56.144%0.44335%0.352SS..  trans-139.2129.5177.5-65.7-169.6179.9-171.30111.3L164 P166 A176 C177L164-K168 PolarHBondContact O-N 3.49Å; P166-K168 VanDerWaalsContact C-N 3.28Å; P166-K168 PolarHBondContact O-N 3.29Å; K168-A176 HydrophobicContact CB-CB 4.47Å; K168-C177 WeakPolarHBondContact CD-O 3.38Å; K168-C177 PolarHBondContact NZ-O 3.07Å
169S61.6Low67.4Low110 Ų11059.7 Ų59.777%0.76937%0.365SS*.  trans-70.3147.8163.357.40000109.9N171S169-N171 PolarHBondContact O-N 2.59Å
170F67.4Low67.4Low62 Ų6264 Ų6427%0.27238%0.378SS..  trans-58.8136.6167-67.1-84000109.3Y140 G174 A176 Y203 T205Y140-F170 AromaticContact CD1-CZ 3.81Å; Y140-F170 HydrophobicContact CD1-CZ 3.81Å; Y140-F170 HydrophobicContact CE1-CE2 4.11Å; Y140-F170 AromaticContact CE1-CZ 3.71Å; Y140-F170 HydrophobicContact CE1-CZ 3.71Å; F170-G174 VanDerWaalsContact CD1-O 3.3Å; F170-G174 WeakPolarHBondContact CD1-O 3.25Å; F170-A176 HydrophobicContact CD1-CB 3.84Å; F170-A176 HydrophobicContact CE1-CB 4Å; F170-A176 HydrophobicContact CG-CB 4.4Å; F170-Y203 WeakPolarHBondContact CE1-O 3.3Å; F170-T205 HydrophobicContact CD1-CG2 4.46Å; F170-T205 HydrophobicContact CD2-CG2 4.49Å; F170-T205 HydrophobicContact CE1-CG2 3.94Å; F170-T205 HydrophobicContact CE2-CG2 3.96Å; F170-T205 HydrophobicContact CZ-CG2 3.67Å
171N68.2Low67.8Low79 Ų7969.9 Ų69.942%0.42240%0.397SS..  trans-71.218017665.121.4000110.7S169 T173 G174 S175S169-N171 PolarHBondContact O-N 2.59Å; N171-T173 VanDerWaalsContact CG-OG1 3.3Å; N171-T173 PolarHBondContact ND2-OG1 2.04Å; N171-T173 PolarHBondContact O-N 2.92Å; N171-T173 WeakPolarHBondContact OD1-CA 3.42Å; N171-T173 WeakPolarHBondContact OD1-CB 3.48Å; N171-T173 PolarHBondContact OD1-N 2.86Å; N171-T173 PolarHBondContact OD1-OG1 2.81Å; N171-G174 PolarHBondContact O-N 2.8Å; N171-G174 PolarHBondContact OD1-N 2.79Å; N171-S175 PolarHBondContact N-O 2.81Å; N171-S175 PolarHBondContact ND2-O 2.81Å; N171-S175 PolarHBondContact ND2-OG 2.86Å; N171-S175 PolarHBondContact OD1-N 2.85Å; N171-S175 PolarHBondContact OD1-O 2.89Å; N171-S175 VanDerWaalsContact OD1-O 3.1Å; N171-S175 PolarHBondContact OD1-OG 2.73Å; N171-S175 VanDerWaalsContact OD1-OG 3.12Å
172A62.4Low68.1Low116 Ų11668 Ų6896%0.95940%0.396SS*.THydrogen-bonded Turntrans-57.4-19.9178.300000114.4G174A172-G174 VanDerWaalsContact C-N 3.34Å
173T65.9Low68.2Low106 Ų10674.1 Ų74.165%0.6543%0.425SS*.THydrogen-bonded Turntrans-89.74.6175.566.30000113.6N171 S175N171-T173 VanDerWaalsContact CG-OG1 3.3Å; N171-T173 PolarHBondContact ND2-OG1 2.04Å; N171-T173 PolarHBondContact O-N 2.92Å; N171-T173 WeakPolarHBondContact OD1-CA 3.42Å; N171-T173 WeakPolarHBondContact OD1-CB 3.48Å; N171-T173 PolarHBondContact OD1-N 2.86Å; N171-T173 PolarHBondContact OD1-OG1 2.81Å; T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.83Å; T173-S175 PolarHBondContact OG1-OG 2.9Å
174G71.6Confident68Low17 Ų1777.3 Ų77.318%0.17543%0.431CS..SBendtrans71.824.3-177.100000113.2F170 N171 A172 C204 T205F170-G174 VanDerWaalsContact CD1-O 3.3Å; F170-G174 WeakPolarHBondContact CD1-O 3.25Å; N171-G174 PolarHBondContact O-N 2.8Å; N171-G174 PolarHBondContact OD1-N 2.79Å; A172-G174 VanDerWaalsContact C-N 3.34Å; G174-C204 WeakPolarHBondContact O-CA 3.35Å; G174-C204 WeakPolarHBondContact O-CB 3.31Å; G174-T205 PolarHBondContact O-N 3.44Å
175S80.6Confident67.6Low25 Ų2582.4 Ų82.418%0.17546%0.458CS..EExtended strand (participates in β ladder)trans-122.4147179.263.30000112.9N171 T173 Y203N171-S175 PolarHBondContact N-O 2.81Å; N171-S175 PolarHBondContact ND2-O 2.81Å; N171-S175 PolarHBondContact ND2-OG 2.86Å; N171-S175 PolarHBondContact OD1-N 2.85Å; N171-S175 PolarHBondContact OD1-O 2.89Å; N171-S175 VanDerWaalsContact OD1-O 3.1Å; N171-S175 PolarHBondContact OD1-OG 2.73Å; N171-S175 VanDerWaalsContact OD1-OG 3.12Å; T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.83Å; T173-S175 PolarHBondContact OG1-OG 2.9Å; S175-Y203 CarbonylContact C-O 3.53Å; S175-Y203 WeakPolarHBondContact CA-O 3.31Å
176A81Confident67.9Low5 Ų585.7 Ų85.74%0.04147%0.472CS..EExtended strand (participates in β ladder)trans-132.3125.1173.900000108.6L164 K168 F170 C202 Y203L164-A176 HydrophobicContact CD1-CB 4.48Å; L164-A176 WeakPolarHBondContact CD1-O 3.42Å; K168-A176 HydrophobicContact CB-CB 4.47Å; F170-A176 HydrophobicContact CD1-CB 3.84Å; F170-A176 HydrophobicContact CE1-CB 4Å; F170-A176 HydrophobicContact CG-CB 4.4Å; A176-C202 CarbonylContact O-C 3.53Å; A176-C202 WeakPolarHBondContact O-CA 3.32Å; A176-Y203 PolarHBondContact N-O 2.79Å; A176-Y203 PolarHBondContact O-N 2.74Å
177C84.6Confident67.5Low39 Ų3992.4 Ų92.426%0.26449%0.485SS..EExtended strand (participates in β ladder)trans-122.6145.1-177-56.70000111.7K168 H201 C202K168-C177 WeakPolarHBondContact CD-O 3.38Å; K168-C177 PolarHBondContact NZ-O 3.07Å; C177-H201 CarbonylContact C-O 3.49Å; C177-H201 WeakPolarHBondContact CA-O 3.42Å; C177-C202 HydrophobicContact CB-CB 4.13Å; C177-C202 WeakPolarHBondContact CB-SG 3.25Å; C177-C202 WeakPolarHBondContact SG-CB 2.91Å; C177-C202 CovalentContact SG-SG 2.04Å; C177-C202 PolarHBondContact SG-SG 2.88Å
178A77.8Confident67.6Low11 Ų1188.9 Ų88.99%0.09147%0.472CS..EExtended strand (participates in β ladder)trans-132.4141.6168.200000111L164 Y180 E200 H201L164-A178 HydrophobicContact CD1-CB 3.81Å; L164-A178 HydrophobicContact CD2-CB 3.32Å; L164-A178 HydrophobicContact CG-CB 4.2Å; A178-Y180 HydrophobicContact CB-CD2 4.44Å; A178-Y180 HydrophobicContact CB-CE2 3.69Å; A178-E200 WeakPolarHBondContact O-CA 2.98Å; A178-H201 PolarHBondContact N-O 3.05Å; A178-H201 PolarHBondContact O-N 3.43Å
179H81.4Confident67Low109 Ų10996.8 Ų96.851%0.50550%0.499SS..EExtended strand (participates in β ladder)trans-107.6128.1176.4-178.579.5000108.6S198 S199H179-S198 PolarHBondContact CE1-OG 3.2Å; H179-S199 CarbonylContact C-O 3.58Å
180Y73.5Confident66.2Low116 Ų11694.8 Ų94.846%0.45549%0.485SS..EExtended strand (participates in β ladder)trans-118122.2175.8-61.6-90.5000107.8L164 A178 S198 S199 H201L164-Y180 HydrophobicContact CD2-CE2 4.48Å; L164-Y180 WeakPolarHBondContact CD2-OH 3.38Å; A178-Y180 HydrophobicContact CB-CD2 4.44Å; A178-Y180 HydrophobicContact CB-CE2 3.69Å; Y180-S198 CarbonylContact O-C 3.51Å; Y180-S198 WeakPolarHBondContact O-CA 3.03Å; Y180-S199 PolarHBondContact N-O 2Å; Y180-S199 PolarHBondContact O-N 3.08Å; Y180-H201 AromaticContact CD2-CD2 3.76Å; Y180-H201 AromaticContact CE2-CD2 3.94Å
181K77.8Confident65.2Low162 Ų16297.7 Ų97.770%0.70451%0.513SS*.EExtended strand (participates in β ladder)trans-119.6129.7172-171.1176.3178-178.60108.3
182G70.1Confident64.2Low37 Ų3799.3 Ų99.338%0.38153%0.526SS..EExtended strand (participates in β ladder)trans-143.9145.1178.600000111I197G182-I197 PolarHBondContact N-O 3.35Å; G182-I197 PolarHBondContact O-N 3.25Å
183E68.6Low63.9Low129 Ų12995.8 Ų95.860%0.60350%0.501SS*.EExtended strand (participates in β ladder)trans-104.9116.4166.1-62-170.9170.100106.7H196E183-H196 VanDerWaalsContact CD-CE1 3.42Å; E183-H196 IonicContact OE1-CE1 3.03Å; E183-H196 PolarHBondContact OE1-CE1 3.4Å; E183-H196 IonicContact OE1-ND1 2.72Å; E183-H196 PolarHBondContact OE1-ND1 3.27Å
184K60.4Low63.8Low138 Ų13894.9 Ų94.960%0.649%0.492SS*.EExtended strand (participates in β ladder)trans-109.5120.8176.2-161.4170.4-176.4176.90108.5I186 V195K184-I186 PolarHBondContact O-N 3.34Å; K184-I186 VanDerWaalsContact O-N 3.09Å; K184-V195 PolarHBondContact N-O 2.99Å; K184-V195 PolarHBondContact O-N 3.29Å; K184-V195 VanDerWaalsContact O-N 3.13Å
185L56.9Low63.5Low111 Ų11194.9 Ų94.958%0.58149%0.489SS*.EExtended strand (participates in β ladder)trans-72.8101.7168.1-150.7117.9000107.1W187L185-W187 PolarHBondContact O-N 3.49Å
186I55.6Low63.3Low90 Ų9097.7 Ų97.746%0.46250%0.499SS..  trans-80.2112.7170.9-56.5-169.5000106.1K184 S188 V195K184-I186 PolarHBondContact O-N 3.34Å; K184-I186 VanDerWaalsContact O-N 3.09Å; I186-S188 PolarHBondContact O-N 3.11Å; I186-V195 HydrophobicContact CB-CG2 4.25Å; I186-V195 HydrophobicContact CD1-CB 3.99Å; I186-V195 HydrophobicContact CD1-CG1 4.27Å; I186-V195 HydrophobicContact CD1-CG2 3.5Å; I186-V195 HydrophobicContact CG1-CB 4.07Å; I186-V195 HydrophobicContact CG1-CG2 3.66Å
187W45.1Very low62.9Low236 Ų236100.1 Ų100.189%0.89451%0.51SS*.  trans-67.179.6167-77.163.3000108.3L185L185-W187 PolarHBondContact O-N 3.49Å
188S49.2Very low62.7Low67 Ų6799.7 Ų99.747%0.46951%0.508SS..  trans-94.416016382.20000108.2I186 S190I186-S188 PolarHBondContact O-N 3.11Å; S188-S190 PolarHBondContact O-N 3.47Å; S188-S190 WeakPolarHBondContact OG-CB 3.47Å; S188-S190 PolarHBondContact OG-N 3.16Å
189R47.9Very low62.7Low268 Ų26899.7 Ų99.7100%1.01151%0.507SS*.SBendtrans-60.8-3.5174-70.8-175.6179.3-175.3-0113.7
190S44.5Very low62.8Low68 Ų6897 Ų9748%0.47650%0.495SS..SBendtrans-86.9123169.9-1770000110.3S188 T192S188-S190 PolarHBondContact O-N 3.47Å; S188-S190 WeakPolarHBondContact OG-CB 3.47Å; S188-S190 PolarHBondContact OG-N 3.16Å; S190-T192 PolarHBondContact O-N 3.24Å; S190-T192 VanDerWaalsContact O-N 3.07Å
191S46.5Very low63.2Low123 Ų12393.7 Ų93.786%0.8648%0.484SS*.SBendtrans-692.9-177.449.90000115.2
192T46.9Very low63.7Low113 Ų11387 Ų8769%0.69346%0.457SS*.  trans-151.7110.5-176.650.70000109.8S190S190-T192 PolarHBondContact O-N 3.24Å; S190-T192 VanDerWaalsContact O-N 3.07Å
193G56.9Low64.4Low41 Ų4186.2 Ų86.242%0.42344%0.442SS..  trans177.574.7172.600000111.3V195G193-V195 PolarHBondContact O-N 3.35Å
194N62.7Low65.3Low87 Ų8780.5 Ų80.547%0.46542%0.416SS..EExtended strand (participates in β ladder)trans-60.6119.5163-70.4-16.5000106.9N149N149-N194 PolarHBondContact OD1-O 3.46Å
195V66.1Low66.5Low18 Ų1876.7 Ų76.711%0.10941%0.405CS..EExtended strand (participates in β ladder)trans-91.5108.6173.8-177.40000107.3I148 N149 K184 I186 G193 I197I148-V195 HydrophobicContact CG2-CG1 3.56Å; N149-V195 WeakPolarHBondContact OD1-CA 3Å; K184-V195 PolarHBondContact N-O 2.99Å; K184-V195 PolarHBondContact O-N 3.29Å; K184-V195 VanDerWaalsContact O-N 3.13Å; I186-V195 HydrophobicContact CB-CG2 4.25Å; I186-V195 HydrophobicContact CD1-CB 3.99Å; I186-V195 HydrophobicContact CD1-CG1 4.27Å; I186-V195 HydrophobicContact CD1-CG2 3.5Å; I186-V195 HydrophobicContact CG1-CB 4.07Å; I186-V195 HydrophobicContact CG1-CG2 3.66Å; G193-V195 PolarHBondContact O-N 3.35Å; V195-I197 HydrophobicContact CG1-CD1 4.15Å; V195-I197 HydrophobicContact CG1-CG1 3.77Å
196H75.8Confident67.8Low83 Ų8375 Ų7538%0.38440%0.4SS..EExtended strand (participates in β ladder)trans-82.4115.5173.5-61.9-83.7000107.8I148 N149 E183I148-H196 WeakPolarHBondContact CA-O 3.2Å; N149-H196 PolarHBondContact N-O 2.98Å; N149-H196 PolarHBondContact OD1-N 3.25Å; E183-H196 VanDerWaalsContact CD-CE1 3.42Å; E183-H196 IonicContact OE1-CE1 3.03Å; E183-H196 PolarHBondContact OE1-CE1 3.4Å; E183-H196 IonicContact OE1-ND1 2.72Å; E183-H196 PolarHBondContact OE1-ND1 3.27Å
197I71.6Confident69.4Low56 Ų5675.3 Ų75.329%0.28740%0.402SS..EExtended strand (participates in β ladder)trans-114.6124.4177.6-53.3178.9000107.8T146 L147 I148 G182 V195T146-I197 HydrophobicContact CG2-CG2 4.27Å; L147-I197 WeakPolarHBondContact O-CA 3.36Å; I148-I197 HydrophobicContact CG1-CG1 4.44Å; I148-I197 HydrophobicContact CG1-CG2 4.47Å; G182-I197 PolarHBondContact N-O 3.35Å; G182-I197 PolarHBondContact O-N 3.25Å; V195-I197 HydrophobicContact CG1-CD1 4.15Å; V195-I197 HydrophobicContact CG1-CG1 3.77Å
198S80.8Confident71.5Confident30 Ų3066.1 Ų66.121%0.2137%0.368CS..EExtended strand (participates in β ladder)trans-126.6120.3172.4165.10000108.1T146 L147 H179 Y180T146-S198 CarbonylContact C-O 3.49Å; T146-S198 WeakPolarHBondContact CA-O 3.37Å; L147-S198 PolarHBondContact N-O 2.78Å; L147-S198 PolarHBondContact O-N 3.46Å; H179-S198 PolarHBondContact CE1-OG 3.2Å; Y180-S198 CarbonylContact O-C 3.51Å; Y180-S198 WeakPolarHBondContact O-CA 3.03Å
199S78.1Confident73.5Confident12 Ų1264 Ų648%0.08435%0.354CS..EExtended strand (participates in β ladder)trans-124.3130.3-179.7-162.50000110.8R145 T146 H179 Y180 H201R145-S199 CarbonylContact O-C 3.58Å; R145-S199 VanDerWaalsContact O-CA 3.32Å; R145-S199 WeakPolarHBondContact O-CA 2.98Å; T146-S199 PolarHBondContact OG1-OG 2.86Å; H179-S199 CarbonylContact C-O 3.58Å; Y180-S199 PolarHBondContact N-O 2Å; Y180-S199 PolarHBondContact O-N 3.08Å; S199-H201 PolarHBondContact OG-CD2 3.38Å; S199-H201 PolarHBondContact OG-CE1 2.9Å; S199-H201 VanDerWaalsContact OG-CE1 3.27Å; S199-H201 PolarHBondContact OG-NE2 3.39Å
200E84.7Confident75.5Confident51 Ų5151.5 Ų51.524%0.23831%0.306CS..EExtended strand (participates in β ladder)trans-113.1125.1171.3-174.6173.7-147.600108.9S144 R145 A178 F214S144-E200 CarbonylContact C-O 3.54Å; S144-E200 VanDerWaalsContact CA-O 3.23Å; S144-E200 WeakPolarHBondContact CA-O 2.95Å; R145-E200 PolarHBondContact N-O 2.04Å; R145-E200 PolarHBondContact O-N 2.04Å; A178-E200 WeakPolarHBondContact O-CA 2.98Å; E200-F214 HydrophobicContact CB-CE1 4.28Å; E200-F214 HydrophobicContact CG-CD1 4.12Å; E200-F214 HydrophobicContact CG-CE1 3.72Å; E200-F214 WeakPolarHBondContact OE2-CD1 3.49Å
201H81.3Confident77.5Confident48 Ų4849.7 Ų49.722%0.22230%0.299CS..EExtended strand (participates in β ladder)trans-120.8122.8178.6-59.3-88.2000109.4S144 C177 A178 Y180 S199 Y203S144-H201 WeakPolarHBondContact CB-ND1 3.45Å; S144-H201 PolarHBondContact OG-ND1 3.07Å; C177-H201 CarbonylContact C-O 3.49Å; C177-H201 WeakPolarHBondContact CA-O 3.42Å; A178-H201 PolarHBondContact N-O 3.05Å; A178-H201 PolarHBondContact O-N 3.43Å; Y180-H201 AromaticContact CD2-CD2 3.76Å; Y180-H201 AromaticContact CE2-CD2 3.94Å; S199-H201 PolarHBondContact OG-CD2 3.38Å; S199-H201 PolarHBondContact OG-CE1 2.9Å; S199-H201 VanDerWaalsContact OG-CE1 3.27Å; S199-H201 PolarHBondContact OG-NE2 3.39Å; H201-Y203 HydrophobicContact CB-CE2 3.99Å
202C87.6Confident79.1Confident20 Ų2049.1 Ų49.114%0.13529%0.29CS..EExtended strand (participates in β ladder)trans-115.6133.4175.2-70.70000110.2V142 K143 A176 C177 F214V142-C202 CarbonylContact C-O 3.49Å; V142-C202 VanDerWaalsContact CA-O 3.3Å; V142-C202 WeakPolarHBondContact CA-O 3.39Å; K143-C202 PolarHBondContact N-O 3.02Å; K143-C202 PolarHBondContact O-N 2.77Å; A176-C202 CarbonylContact O-C 3.53Å; A176-C202 WeakPolarHBondContact O-CA 3.32Å; C177-C202 HydrophobicContact CB-CB 4.13Å; C177-C202 WeakPolarHBondContact CB-SG 3.25Å; C177-C202 WeakPolarHBondContact SG-CB 2.91Å; C177-C202 CovalentContact SG-SG 2.04Å; C177-C202 PolarHBondContact SG-SG 2.88Å; C202-F214 HydrophobicContact CB-CE1 4.28Å; C202-F214 VanDerWaalsContact SG-CE1 3.56Å
203Y85.5Confident80.3Confident22 Ų2250.2 Ų50.29%0.08629%0.292CS..EExtended strand (participates in β ladder)trans-115.5146.1176-66.8-101.4000108.9C141 V142 I161 P163 L164 F170 S175 A176 H201C141-Y203 CarbonylContact O-C 3.14Å; C141-Y203 VanDerWaalsContact O-CA 3.28Å; C141-Y203 WeakPolarHBondContact O-CA 3.26Å; V142-Y203 HydrophobicContact CB-CE1 4.34Å; V142-Y203 HydrophobicContact CG1-CD1 4.46Å; V142-Y203 HydrophobicContact CG1-CE1 4.02Å; V142-Y203 HydrophobicContact CG1-CE2 4.37Å; V142-Y203 HydrophobicContact CG2-CD1 3.6Å; V142-Y203 HydrophobicContact CG2-CE1 3.38Å; V142-Y203 HydrophobicContact CG2-CG 4.49Å; I161-Y203 WeakPolarHBondContact O-CE1 3.47Å; P163-Y203 VanDerWaalsContact CD-OH 3.26Å; P163-Y203 WeakPolarHBondContact CD-OH 3.12Å; P163-Y203 HydrophobicContact CG-CE2 4.27Å; P163-Y203 WeakPolarHBondContact CG-OH 3.27Å; L164-Y203 HydrophobicContact CD1-CD2 3.64Å; L164-Y203 HydrophobicContact CD1-CE2 4.07Å; L164-Y203 HydrophobicContact CG-CD2 3.79Å; L164-Y203 HydrophobicContact CG-CE2 3.9Å; F170-Y203 WeakPolarHBondContact CE1-O 3.3Å; S175-Y203 CarbonylContact C-O 3.53Å; S175-Y203 WeakPolarHBondContact CA-O 3.31Å; A176-Y203 PolarHBondContact N-O 2.79Å; A176-Y203 PolarHBondContact O-N 2.74Å; H201-Y203 HydrophobicContact CB-CE2 3.99Å
204C87.2Confident80.6Confident8 Ų849.7 Ų49.75%0.05428%0.278CS..EExtended strand (participates in β ladder)trans-153.7163.5175.453.60000111.5Y140 C141 G174 C209Y140-C204 CarbonylContact C-O 3.51Å; Y140-C204 WeakPolarHBondContact CA-O 3.43Å; C141-C204 PolarHBondContact N-O 2.85Å; C141-C204 PolarHBondContact O-N 3.16Å; G174-C204 WeakPolarHBondContact O-CA 3.35Å; G174-C204 WeakPolarHBondContact O-CB 3.31Å; C204-C209 HydrophobicContact CB-CB 3.72Å; C204-C209 WeakPolarHBondContact CB-SG 3.29Å; C204-C209 WeakPolarHBondContact SG-CB 3.39Å; C204-C209 CovalentContact SG-SG 2Å; C204-C209 PolarHBondContact SG-SG 3.47Å
205T84.7Confident80.4Confident58 Ų5851.4 Ų51.436%0.35629%0.291SS..  trans-122.423.4-165.660.10000113.8V119 Y140 F170 G174V119-T205 WeakPolarHBondContact CG1-O 3.29Å; Y140-T205 HydrophobicContact CD1-CG2 3.75Å; Y140-T205 HydrophobicContact CE1-CG2 3.9Å; F170-T205 HydrophobicContact CD1-CG2 4.46Å; F170-T205 HydrophobicContact CD2-CG2 4.49Å; F170-T205 HydrophobicContact CE1-CG2 3.94Å; F170-T205 HydrophobicContact CE2-CG2 3.96Å; F170-T205 HydrophobicContact CZ-CG2 3.67Å; G174-T205 PolarHBondContact O-N 3.44Å
206T85.6Confident79.7Confident77 Ų7758.8 Ų58.847%0.47232%0.322SS..SBendtrans-125.7156.9175.466.90000110.4F208 C209T206-F208 PolarHBondContact O-N 2.9Å; T206-C209 VanDerWaalsContact O-CB 3.31Å; T206-C209 WeakPolarHBondContact O-CB 3.22Å; T206-C209 PolarHBondContact O-N 2.77Å; T206-C209 PolarHBondContact O-SG 2.8Å; T206-C209 VanDerWaalsContact OG1-CB 3.31Å; T206-C209 WeakPolarHBondContact OG1-CB 3.31Å
207D87.8Confident78.1Confident95 Ų9558.2 Ų58.251%0.50833%0.326SS..THydrogen-bonded Turntrans-54.5130.5-179.8-70.4-28.8000112V119 S120 C209V119-D207 WeakPolarHBondContact CA-OD1 3.48Å; S120-D207 PolarHBondContact N-OD1 2.91Å; S120-D207 CarbonylContact O-C 3.54Å; S120-D207 WeakPolarHBondContact O-CA 3.18Å; D207-C209 PolarHBondContact O-N 3.04Å
208F90.6Very high76.8Confident43 Ų4365.6 Ų65.619%0.18935%0.351CS..THydrogen-bonded Turntrans5819.8174.9-55.9-71.2000114.8S120 Y122 K132 A135 T206 N210 G211S120-F208 PolarHBondContact O-N 3.2Å; Y122-F208 HydrophobicContact CD1-CD1 4.08Å; Y122-F208 HydrophobicContact CD2-CB 4.1Å; Y122-F208 HydrophobicContact CD2-CD1 4.09Å; Y122-F208 AromaticContact CE1-CD1 3.97Å; Y122-F208 HydrophobicContact CE1-CD1 3.97Å; Y122-F208 HydrophobicContact CE2-CB 3.6Å; Y122-F208 AromaticContact CE2-CD1 3.99Å; Y122-F208 HydrophobicContact CE2-CD1 3.99Å; Y122-F208 HydrophobicContact CE2-CG 4.2Å; Y122-F208 HydrophobicContact CG-CD1 4.14Å; Y122-F208 AromaticContact CZ-CD1 3.92Å; K132-F208 HydrophobicContact CB-CE1 4.18Å; K132-F208 HydrophobicContact CB-CZ 4.1Å; K132-F208 HydrophobicContact CD-CE1 4.36Å; K132-F208 HydrophobicContact CD-CE2 3.98Å; K132-F208 HydrophobicContact CD-CZ 3.9Å; K132-F208 HydrophobicContact CG-CD1 4.28Å; K132-F208 HydrophobicContact CG-CE1 3.75Å; K132-F208 HydrophobicContact CG-CE2 4.27Å; K132-F208 HydrophobicContact CG-CZ 3.74Å; A135-F208 HydrophobicContact CB-CE1 3.8Å; A135-F208 HydrophobicContact CB-CZ 4.24Å; T206-F208 PolarHBondContact O-N 2.9Å; F208-N210 PolarHBondContact O-N 2.75Å; F208-G211 PolarHBondContact O-N 2.7Å
209C90.4Very high75Confident24 Ų2472 Ų7216%0.16238%0.377CS..G310 helixtrans-65.5-20.8-177.861.60000113.7C141 C204 T206 D207 G211C141-C209 VanDerWaalsContact CB-SG 3.54Å; C204-C209 HydrophobicContact CB-CB 3.72Å; C204-C209 WeakPolarHBondContact CB-SG 3.29Å; C204-C209 WeakPolarHBondContact SG-CB 3.39Å; C204-C209 CovalentContact SG-SG 2Å; C204-C209 PolarHBondContact SG-SG 3.47Å; T206-C209 VanDerWaalsContact O-CB 3.31Å; T206-C209 WeakPolarHBondContact O-CB 3.22Å; T206-C209 PolarHBondContact O-N 2.77Å; T206-C209 PolarHBondContact O-SG 2.8Å; T206-C209 VanDerWaalsContact OG1-CB 3.31Å; T206-C209 WeakPolarHBondContact OG1-CB 3.31Å; D207-C209 PolarHBondContact O-N 3.04Å; C209-G211 PolarHBondContact O-N 2.82Å
210N90.1Very high73Confident4 Ų476.1 Ų76.12%0.02140%0.398CS..G310 helixtrans-74.15.2172.268.1-17.4000113.3Y122 C141 V142 K143 Q156 T157 F208Y122-N210 WeakPolarHBondContact CD2-OD1 3.45Å; Y122-N210 PolarHBondContact N-OD1 3.36Å; Y122-N210 VanDerWaalsContact N-OD1 3.08Å; Y122-N210 PolarHBondContact O-ND2 2.82Å; C141-N210 HydrophobicContact CB-CB 3.79Å; V142-N210 WeakPolarHBondContact O-CB 3.32Å; V142-N210 PolarHBondContact O-ND2 2.67Å; K143-N210 HydrophobicContact CB-CB 4.12Å; K143-N210 WeakPolarHBondContact CD-O 3.18Å; Q156-N210 PolarHBondContact NE2-O 2.79Å; T157-N210 PolarHBondContact N-ND2 3.13Å; T157-N210 PolarHBondContact O-ND2 2.88Å; F208-N210 PolarHBondContact O-N 2.75Å
211G86.7Confident70.9Confident31 Ų3177.2 Ų77.232%0.3241%0.41SS..G310 helixtrans-74.7-22.1172.200000114.3F208 C209 D213F208-G211 PolarHBondContact O-N 2.7Å; C209-G211 PolarHBondContact O-N 2.82Å; G211-D213 PolarHBondContact O-N 3.05Å
212V79.3Confident69.3Low111 Ų11181 Ų8167%0.67343%0.431SS*.SBendtrans-67.2132.4-174.8-174.30000111K143K143-V212 VanDerWaalsContact CD-O 3.29Å; K143-V212 WeakPolarHBondContact CD-O 3.18Å; K143-V212 WeakPolarHBondContact CE-O 3.39Å; K143-V212 PolarHBondContact NZ-O 2.8Å
213D73.4Confident67.5Low136 Ų13686.7 Ų86.773%0.72746%0.459SS*.PPolyproline II helixtrans-65.6140.3177-76-31.2000112.3K143 G211 V215K143-D213 IonicContact NZ-OD1 3.57Å; G211-D213 PolarHBondContact O-N 3.05Å; D213-V215 PolarHBondContact O-N 2.74Å
214F63.5Low66Low29 Ų2989.8 Ų89.813%0.12748%0.476CS..PPolyproline II helixtrans-60.6137.3168.1-70.8-74.3000108.7K143 R145 V154 E200 C202 K216K143-F214 HydrophobicContact CB-CE2 4.29Å; K143-F214 HydrophobicContact CB-CZ 3.98Å; K143-F214 HydrophobicContact CD-CD2 3.97Å; K143-F214 HydrophobicContact CD-CE2 3.57Å; K143-F214 HydrophobicContact CD-CZ 3.99Å; K143-F214 HydrophobicContact CG-CD2 4.34Å; K143-F214 HydrophobicContact CG-CE2 3.44Å; K143-F214 VanDerWaalsContact CG-CE2 3.44Å; K143-F214 HydrophobicContact CG-CZ 3.65Å; K143-F214 WeakPolarHBondContact O-CZ 3.21Å; R145-F214 HydrophobicContact CB-CD2 3.74Å; R145-F214 HydrophobicContact CB-CE2 3.37Å; R145-F214 HydrophobicContact CB-CG 4.47Å; R145-F214 HydrophobicContact CB-CZ 3.84Å; R145-F214 HydrophobicContact CG-CD2 4.44Å; R145-F214 HydrophobicContact CG-CE2 4.49Å; V154-F214 HydrophobicContact CG1-CE2 4.36Å; E200-F214 HydrophobicContact CB-CE1 4.28Å; E200-F214 HydrophobicContact CG-CD1 4.12Å; E200-F214 HydrophobicContact CG-CE1 3.72Å; E200-F214 WeakPolarHBondContact OE2-CD1 3.49Å; C202-F214 HydrophobicContact CB-CE1 4.28Å; C202-F214 VanDerWaalsContact SG-CE1 3.56Å; F214-K216 PolarHBondContact O-N 3.18Å
215V58.1Low64.4Low124 Ų12493 Ų9375%0.75250%0.496SS*.  trans-60109169.5-177.30000106.5D213D213-V215 PolarHBondContact O-N 2.74Å
216K50.4Low62.9Low173 Ų17395.9 Ų95.975%0.75250%0.503SS*.  trans-55.7129.3175.7-72.7-177179.8178.20107.2F214 Y218F214-K216 PolarHBondContact O-N 3.18Å; K216-Y218 PolarHBondContact O-N 2.98Å
217P43.3Very low61.5Low71 Ų7195 Ų9546%0.46150%0.504SS..  trans-57121.2171.822.5-30.1000107H219P217-H219 VanDerWaalsContact C-N 3.27Å; P217-H219 PolarHBondContact O-N 2.85Å
218Y43.9Very low60Low210 Ų21094.9 Ų94.982%0.82451%0.506SS*.  trans-61.197.7169.5-79.8-90000106.8K216 L220K216-Y218 PolarHBondContact O-N 2.98Å; Y218-L220 PolarHBondContact O-N 3.08Å
219H42Very low58.5Low165 Ų16597 Ų9776%0.76452%0.519SS*.  trans-67.886.3155.9-70.6-72.3000105.4P217 P221P217-H219 VanDerWaalsContact C-N 3.27Å; P217-H219 PolarHBondContact O-N 2.85Å; H219-P221 WeakPolarHBondContact O-CD 3.03Å; H219-P221 VanDerWaalsContact O-N 3.08Å
220L36.1Very low57Low99 Ų99101 Ų10152%0.51854%0.537SS..  trans-58.6115.5162.9-129.389.5000104.7Y218 L222 I224Y218-L220 PolarHBondContact O-N 3.08Å; L220-L222 PolarHBondContact O-N 3.08Å; L220-L222 VanDerWaalsContact O-N 3.13Å; L220-I224 HydrophobicContact CD2-CB 4.01Å; L220-I224 HydrophobicContact CD2-CD1 4.44Å; L220-I224 HydrophobicContact CD2-CG2 3.93Å; L220-I224 HydrophobicContact CG-CD1 4.33Å
221P40.5Very low55.4Low74 Ų74109.2 Ų109.248%0.48157%0.569SS.*  trans-56.4128.8176.321.7-29.7000106.9H219 L223 I224H219-P221 WeakPolarHBondContact O-CD 3.03Å; H219-P221 VanDerWaalsContact O-N 3.08Å; P221-L223 PolarHBondContact O-N 3.47Å; P221-I224 HydrophobicContact CG-CD1 4.09Å; P221-I224 HydrophobicContact CG-CG1 4.31Å; P221-I224 PolarHBondContact O-N 3.18Å
222L48.4Very low54Low126 Ų126111.7 Ų111.766%0.6658%0.582SS**Hα-helixtrans-49.9-20.3-176.9-130.8134.5000112.8L220 I224 V225 F226L220-L222 PolarHBondContact O-N 3.08Å; L220-L222 VanDerWaalsContact O-N 3.13Å; L222-I224 VanDerWaalsContact C-N 3.3Å; L222-I224 PolarHBondContact O-N 3.48Å; L222-V225 PolarHBondContact O-N 2.79Å; L222-F226 HydrophobicContact CD2-CD2 3.75Å; L222-F226 HydrophobicContact CD2-CE2 3.33Å; L222-F226 HydrophobicContact CD2-CZ 4.43Å; L222-F226 WeakPolarHBondContact O-CD2 3.49Å; L222-F226 PolarHBondContact O-N 2.72Å
223L50.4Low53Low140 Ų140112.6 Ų112.673%0.73358%0.582SS**Hα-helixtrans-55.2-33.9170.8-69.7166.8000114.5P221 A227P221-L223 PolarHBondContact O-N 3.47Å; L223-A227 PolarHBondContact O-N 3.12Å; L223-A227 VanDerWaalsContact O-N 3.16Å
224I54.3Low52.2Low87 Ų87111.4 Ų111.445%0.44658%0.584SS.*Hα-helixtrans-76.4-33.7-179.7-60.8175.9000111.1L220 P221 L222 A227 V228L220-I224 HydrophobicContact CD2-CB 4.01Å; L220-I224 HydrophobicContact CD2-CD1 4.44Å; L220-I224 HydrophobicContact CD2-CG2 3.93Å; L220-I224 HydrophobicContact CG-CD1 4.33Å; P221-I224 HydrophobicContact CG-CD1 4.09Å; P221-I224 HydrophobicContact CG-CG1 4.31Å; P221-I224 PolarHBondContact O-N 3.18Å; L222-I224 VanDerWaalsContact C-N 3.3Å; L222-I224 PolarHBondContact O-N 3.48Å; I224-A227 PolarHBondContact O-N 3.17Å; I224-V228 WeakPolarHBondContact O-CG2 3.34Å; I224-V228 PolarHBondContact O-N 2.05Å
225V52.6Low51.5Low76 Ų76119.5 Ų119.546%0.46163%0.627SS.*Hα-helixtrans-70.1-39.4177.2-178.40000110.8L222 V228 I229L222-V225 PolarHBondContact O-N 2.79Å; V225-V228 PolarHBondContact O-N 3.16Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.45Å; V225-I229 PolarHBondContact O-N 2.75Å
226F52.7Low51.1Low119 Ų119119.3 Ų119.352%0.52262%0.621SS.*Hα-helixtrans-68-36.5174.8-84.6-70.3000113.2L222 V228 I229 I230L222-F226 HydrophobicContact CD2-CD2 3.75Å; L222-F226 HydrophobicContact CD2-CE2 3.33Å; L222-F226 HydrophobicContact CD2-CZ 4.43Å; L222-F226 WeakPolarHBondContact O-CD2 3.49Å; L222-F226 PolarHBondContact O-N 2.72Å; F226-V228 VanDerWaalsContact C-N 3.32Å; F226-V228 PolarHBondContact O-N 3.48Å; F226-I229 PolarHBondContact O-N 2.98Å; F226-I230 VanDerWaalsContact O-CG1 3.25Å; F226-I230 WeakPolarHBondContact O-CG1 3.3Å; F226-I230 PolarHBondContact O-N 3.46Å
227A56.9Low51.2Low58 Ų58116.4 Ų116.448%0.47961%0.614SS.*Hα-helixtrans-62.1-38.8177.200000112.5L223 I224 Y231L223-A227 PolarHBondContact O-N 3.12Å; L223-A227 VanDerWaalsContact O-N 3.16Å; I224-A227 PolarHBondContact O-N 3.17Å; A227-Y231 WeakPolarHBondContact O-CB 3.13Å; A227-Y231 PolarHBondContact O-N 3.26Å; A227-Y231 VanDerWaalsContact O-N 3.11Å
228V57Low51.6Low92 Ų92118.9 Ų118.956%0.55862%0.623SS**Hα-helixtrans-72.3-36.2178.6176.90000112.1I224 V225 F226 S232I224-V228 WeakPolarHBondContact O-CG2 3.34Å; I224-V228 PolarHBondContact O-N 2.05Å; V225-V228 PolarHBondContact O-N 3.16Å; F226-V228 VanDerWaalsContact C-N 3.32Å; F226-V228 PolarHBondContact O-N 3.48Å; V228-S232 WeakPolarHBondContact O-CB 3.15Å; V228-S232 PolarHBondContact O-N 3.43Å; V228-S232 PolarHBondContact O-OG 2.95Å
229I58.4Low52.1Low89 Ų89113.6 Ų113.646%0.45661%0.611SS.*Hα-helixtrans-72.3-36.6178.7-64.7170.2000111.5V225 F226 N233V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.45Å; V225-I229 PolarHBondContact O-N 2.75Å; F226-I229 PolarHBondContact O-N 2.98Å; I229-N233 PolarHBondContact O-ND2 3.44Å
230I58.5Low52.7Low106 Ų106110.4 Ų110.454%0.54460%0.601SS.*Hα-helixtrans-73.2-37.7177.9-62.7170.7000110.8F226 S232 N233F226-I230 VanDerWaalsContact O-CG1 3.25Å; F226-I230 WeakPolarHBondContact O-CG1 3.3Å; F226-I230 PolarHBondContact O-N 3.46Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.42Å; I230-N233 PolarHBondContact O-N 3.22Å
231Y57.8Low53.8Low178 Ų178111.1 Ų111.170%0.69861%0.607SS**Hα-helixtrans-69.1-29.9178.3-142.1-93000112.8A227 N233 L235A227-Y231 WeakPolarHBondContact O-CB 3.13Å; A227-Y231 PolarHBondContact O-N 3.26Å; A227-Y231 VanDerWaalsContact O-N 3.11Å; Y231-N233 VanDerWaalsContact C-N 3.33Å; Y231-L235 HydrophobicContact CD1-CD1 4.29Å; Y231-L235 HydrophobicContact CE1-CD1 4.13Å
232S57.3Low54.8Low83 Ų83113.8 Ų113.858%0.5862%0.616SS**THydrogen-bonded Turntrans-80.8-9.9179.8-52.60000114.1V228 I230V228-S232 WeakPolarHBondContact O-CB 3.15Å; V228-S232 PolarHBondContact O-N 3.43Å; V228-S232 PolarHBondContact O-OG 2.95Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.42Å
233N57.9Low55.2Low129 Ų129112.8 Ų112.869%0.6961%0.612SS**THydrogen-bonded Turntrans-106.75.4175.4-74.7-74000113.1I229 I230 Y231I229-N233 PolarHBondContact O-ND2 3.44Å; I230-N233 PolarHBondContact O-N 3.22Å; Y231-N233 VanDerWaalsContact C-N 3.33Å
234C55.4Low55.7Low112 Ų112110.6 Ų110.676%0.75760%0.602SS**  trans-118.216178.6-78.80000113.4
235L48.9Very low55.8Low198 Ų198112.7 Ų112.7100%1.03762%0.616SS**  trans-121.90171.6-108.3144.7000108.8Y231Y231-L235 HydrophobicContact CD1-CD1 4.29Å; Y231-L235 HydrophobicContact CE1-CD1 4.13Å

Retrieved 235 of 235 residues in 372.3 ms (Link to these results)

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