A0A077ZII8_TRITR Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A077ZII8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 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
1M39.8Very low52.8Low153 Ų153103.6 Ų103.675%0.75448%0.484SS*.  0-45.40-100.6-168.9-75.600113.8E3 R4 F5M1-E3 PolarHBondContact O-N 3.26Å; M1-R4 WeakPolarHBondContact O-CA 3.17Å; M1-R4 WeakPolarHBondContact O-CB 3.27Å; M1-R4 PolarHBondContact O-N 2.87Å; M1-F5 WeakPolarHBondContact O-CD2 3.32Å; M1-F5 PolarHBondContact O-N 2.65Å
2A32Very low55.6Low30 Ų3096.3 Ų96.325%0.24845%0.449CS..Hα-helixtrans-51-39.5175.700000114.2R4 F5 F6A2-R4 PolarHBondContact O-N 3.08Å; A2-F5 PolarHBondContact O-N 3.06Å; A2-F5 VanDerWaalsContact O-N 3.13Å; A2-F6 PolarHBondContact O-N 3.32Å
3E35.2Very low58Low152 Ų15291.8 Ų91.871%0.7143%0.425SS*.Hα-helixtrans-59-42.7173.2-72.9172.1172.400112.6M1 F5 F6 L7M1-E3 PolarHBondContact O-N 3.26Å; E3-F5 PolarHBondContact O-N 3.18Å; E3-F6 PolarHBondContact O-N 3.08Å; E3-L7 WeakPolarHBondContact O-CB 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.02Å; E3-L7 PolarHBondContact O-N 3.27Å
4R42.3Very low60.1Low188 Ų18894.4 Ų94.471%0.70943%0.429SS*.Hα-helixtrans-60.4-29.7176.5-69.6-174.6176.5179.2-2.1112M1 A2 K8M1-R4 WeakPolarHBondContact O-CA 3.17Å; M1-R4 WeakPolarHBondContact O-CB 3.27Å; M1-R4 PolarHBondContact O-N 2.87Å; A2-R4 PolarHBondContact O-N 3.08Å; R4-K8 WeakPolarHBondContact O-CG 3.5Å; R4-K8 PolarHBondContact O-N 2.91Å
5F44.3Very low62.1Low57 Ų5794.9 Ų94.925%0.2543%0.427CS..Hα-helixtrans-83.1-42.1177-76.2-76000113.5M1 A2 E3 L7 K8 E9 G209M1-F5 WeakPolarHBondContact O-CD2 3.32Å; M1-F5 PolarHBondContact O-N 2.65Å; A2-F5 PolarHBondContact O-N 3.06Å; A2-F5 VanDerWaalsContact O-N 3.13Å; E3-F5 PolarHBondContact O-N 3.18Å; F5-L7 PolarHBondContact O-N 3.07Å; F5-K8 HydrophobicContact CD1-CD 4.14Å; F5-K8 HydrophobicContact CE1-CD 4.1Å; F5-K8 PolarHBondContact O-N 2.98Å; F5-E9 PolarHBondContact O-N 2.78Å; F5-G209 WeakPolarHBondContact CE1-O 3.49Å; F5-G209 WeakPolarHBondContact CE2-O 3.43Å; F5-G209 WeakPolarHBondContact CZ-O 3.48Å
6F49.1Very low64.1Low108 Ų10889 Ų8947%0.47440%0.4SS..Hα-helixtrans-53.4-40.6169.8-170.6-100.5000109.6A2 E3 T10A2-F6 PolarHBondContact O-N 3.32Å; E3-F6 PolarHBondContact O-N 3.08Å; F6-T10 HydrophobicContact CD1-CG2 4.13Å; F6-T10 HydrophobicContact CE1-CG2 3.91Å; F6-T10 HydrophobicContact CE2-CG2 4.48Å; F6-T10 HydrophobicContact CZ-CG2 4.1Å; F6-T10 VanDerWaalsContact O-CB 3.26Å; F6-T10 WeakPolarHBondContact O-CB 3.44Å; F6-T10 WeakPolarHBondContact O-CG2 3.38Å; F6-T10 PolarHBondContact O-N 3.33Å; F6-T10 PolarHBondContact O-OG1 3.38Å
7L54.6Low65.8Low111 Ų11183.8 Ų83.858%0.58138%0.377SS*.Hα-helixtrans-64.5-41.9172.2-69.5169000113.8E3 F5 T10 F11E3-L7 WeakPolarHBondContact O-CB 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.02Å; E3-L7 PolarHBondContact O-N 3.27Å; F5-L7 PolarHBondContact O-N 3.07Å; L7-T10 VanDerWaalsContact CA-OG1 3.29Å; L7-T10 WeakPolarHBondContact CA-OG1 3.46Å; L7-T10 PolarHBondContact O-OG1 2.85Å; L7-F11 WeakPolarHBondContact O-CB 3.38Å; L7-F11 PolarHBondContact O-N 2.77Å
8K62.6Low67.2Low133 Ų13381.6 Ų81.658%0.57837%0.367SS*.Hα-helixtrans-65.8-44.3177.5-79.7178.9-179.9-176.70113R4 F5 F11 F12R4-K8 WeakPolarHBondContact O-CG 3.5Å; R4-K8 PolarHBondContact O-N 2.91Å; F5-K8 HydrophobicContact CD1-CD 4.14Å; F5-K8 HydrophobicContact CE1-CD 4.1Å; F5-K8 PolarHBondContact O-N 2.98Å; K8-F11 PolarHBondContact O-N 2.75Å; K8-F12 PolarHBondContact O-N 3.43Å
9E68.3Low68.6Low50 Ų5079.1 Ų79.123%0.23436%0.361CS..Hα-helixtrans-72.8-41.7-178.9-172.757.1-153.900110.8F5 F11 F12 R13 R64F5-E9 PolarHBondContact O-N 2.78Å; E9-F11 VanDerWaalsContact C-N 3.28Å; E9-F11 PolarHBondContact O-N 3.06Å; E9-F12 PolarHBondContact O-N 3.32Å; E9-R13 VanDerWaalsContact O-CG 3.3Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 2.91Å; E9-R13 IonicContact OE1-NE 3.4Å; E9-R64 IonicContact OE2-NH1 3.76Å; E9-R64 PolarHBondContact OE2-NH1 2.87Å; E9-R64 VanDerWaalsContact OE2-NH1 3.1Å
10T71.5Confident70Confident50 Ų5075.2 Ų75.231%0.30734%0.343SS..Hα-helixtrans-61.3-37.5171.4540000111.9F6 L7 R13 R14F6-T10 HydrophobicContact CD1-CG2 4.13Å; F6-T10 HydrophobicContact CE1-CG2 3.91Å; F6-T10 HydrophobicContact CE2-CG2 4.48Å; F6-T10 HydrophobicContact CZ-CG2 4.1Å; F6-T10 VanDerWaalsContact O-CB 3.26Å; F6-T10 WeakPolarHBondContact O-CB 3.44Å; F6-T10 WeakPolarHBondContact O-CG2 3.38Å; F6-T10 PolarHBondContact O-N 3.33Å; F6-T10 PolarHBondContact O-OG1 3.38Å; L7-T10 VanDerWaalsContact CA-OG1 3.29Å; L7-T10 WeakPolarHBondContact CA-OG1 3.46Å; L7-T10 PolarHBondContact O-OG1 2.85Å; T10-R13 PolarHBondContact O-N 3.17Å; T10-R14 WeakPolarHBondContact O-CB 3.27Å; T10-R14 PolarHBondContact O-N 3.06Å
11F81Confident71Confident108 Ų10873.2 Ų73.247%0.47434%0.335SS..Hα-helixtrans-63.9-45.8173.3-179.9-99000112.4L7 K8 E9 R14 R15 A62L7-F11 WeakPolarHBondContact O-CB 3.38Å; L7-F11 PolarHBondContact O-N 2.77Å; K8-F11 PolarHBondContact O-N 2.75Å; E9-F11 VanDerWaalsContact C-N 3.28Å; E9-F11 PolarHBondContact O-N 3.06Å; F11-R14 PolarHBondContact O-N 2.73Å; F11-R15 HydrophobicContact CD1-CG 4.28Å; F11-R15 HydrophobicContact CE1-CG 3.9Å; F11-R15 HydrophobicContact CE2-CG 4.17Å; F11-R15 HydrophobicContact CZ-CG 3.84Å; F11-R15 WeakPolarHBondContact O-CG 3.37Å; F11-R15 PolarHBondContact O-N 2.84Å; F11-A62 HydrophobicContact CE1-CB 4.15Å
12F86.7Confident73.6Confident16 Ų1673.7 Ų73.77%0.0733%0.333CS..Hα-helixtrans-59.4-48.7175.8174.9-99.8000111.3K8 E9 R14 R15 A16 V61 R64 V71K8-F12 PolarHBondContact O-N 3.43Å; E9-F12 PolarHBondContact O-N 3.32Å; F12-R14 PolarHBondContact O-N 2.86Å; F12-R15 PolarHBondContact O-N 3.06Å; F12-A16 WeakPolarHBondContact O-CB 3.29Å; F12-A16 PolarHBondContact O-N 3.47Å; F12-V61 HydrophobicContact CD2-CG1 4.18Å; F12-V61 HydrophobicContact CE2-CB 3.84Å; F12-V61 HydrophobicContact CE2-CG1 3.96Å; F12-V61 HydrophobicContact CZ-CB 4.47Å; F12-R64 HydrophobicContact CD2-CB 4.39Å; F12-R64 HydrophobicContact CD2-CG 4.46Å; F12-R64 HydrophobicContact CE2-CB 3.88Å; F12-R64 HydrophobicContact CE2-CG 4.41Å; F12-V71 HydrophobicContact CE1-CG1 4.3Å; F12-V71 HydrophobicContact CZ-CG1 4.16Å
13R86.9Confident76.5Confident37 Ų3776 Ų7614%0.1434%0.337CS..Hα-helixtrans-56.9-48.9177.2-70.4178.9179.2-149.44.3111.3E9 T10 R15 A16 I17 I75 L269 S272E9-R13 VanDerWaalsContact O-CG 3.3Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 2.91Å; E9-R13 IonicContact OE1-NE 3.4Å; T10-R13 PolarHBondContact O-N 3.17Å; R13-R15 PolarHBondContact O-N 3.12Å; R13-A16 PolarHBondContact O-N 3.16Å; R13-I17 VanDerWaalsContact O-CG1 3.26Å; R13-I17 WeakPolarHBondContact O-CG1 3.23Å; R13-I17 PolarHBondContact O-N 2.95Å; R13-I75 HydrophobicContact CG-CG1 4.29Å; R13-L269 HydrophobicContact CB-CD1 4.46Å; R13-S272 PolarHBondContact NH1-O 3.37Å; R13-S272 PolarHBondContact NH1-OG 2.87Å
14R86.6Confident79.4Confident128 Ų12868.8 Ų68.848%0.48330%0.303SS..Hα-helixtrans-57-50.1177.5-179.7176.2177173.96.1112T10 F11 F12 A16 I17 E18 L269T10-R14 WeakPolarHBondContact O-CB 3.27Å; T10-R14 PolarHBondContact O-N 3.06Å; F11-R14 PolarHBondContact O-N 2.73Å; F12-R14 PolarHBondContact O-N 2.86Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.18Å; R14-I17 PolarHBondContact O-N 2.83Å; R14-E18 HydrophobicContact CG-CG 4.44Å; R14-E18 WeakPolarHBondContact CG-OE1 3.36Å; R14-E18 IonicContact CZ-OE1 3.17Å; R14-E18 IonicContact NE-OE1 2.74Å; R14-E18 PolarHBondContact NE-OE1 3.2Å; R14-E18 IonicContact NH2-OE1 3.35Å; R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 VanDerWaalsContact O-CG 3.3Å; R14-E18 WeakPolarHBondContact O-CG 3.37Å; R14-E18 PolarHBondContact O-N 3.28Å; R14-L269 HydrophobicContact CB-CD1 4.17Å
15R90.8Very high81.7Confident103 Ų10367 Ų6739%0.38930%0.3SS..Hα-helixtrans-62.9-36.5178.5-70.2-76.9101.4137.32.1112.3F11 F12 R13 E18 S19 V61 A62F11-R15 HydrophobicContact CD1-CG 4.28Å; F11-R15 HydrophobicContact CE1-CG 3.9Å; F11-R15 HydrophobicContact CE2-CG 4.17Å; F11-R15 HydrophobicContact CZ-CG 3.84Å; F11-R15 WeakPolarHBondContact O-CG 3.37Å; F11-R15 PolarHBondContact O-N 2.84Å; F12-R15 PolarHBondContact O-N 3.06Å; R13-R15 PolarHBondContact O-N 3.12Å; R15-E18 IonicContact CZ-OE2 2.71Å; R15-E18 IonicContact NE-OE2 2.66Å; R15-E18 PolarHBondContact NE-OE2 2.78Å; R15-E18 IonicContact NH2-OE1 3.06Å; R15-E18 PolarHBondContact NH2-OE1 3.48Å; R15-E18 IonicContact NH2-OE2 2.71Å; R15-E18 PolarHBondContact NH2-OE2 2.8Å; R15-S19 VanDerWaalsContact O-CB 3.22Å; R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.24Å; R15-V61 HydrophobicContact CB-CG1 3.75Å; R15-A62 HydrophobicContact CB-CB 4.34Å; R15-A62 HydrophobicContact CG-CB 4.38Å
16A94.1Very high84.1Confident0 Ų070.7 Ų70.70%032%0.323CS..Hα-helixtrans-66.3-45.317700000111.4F12 R13 R14 S19 L20 V61 V71 Y72 I75F12-A16 WeakPolarHBondContact O-CB 3.29Å; F12-A16 PolarHBondContact O-N 3.47Å; R13-A16 PolarHBondContact O-N 3.16Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.18Å; A16-S19 WeakPolarHBondContact O-CB 3.36Å; A16-S19 PolarHBondContact O-N 3.4Å; A16-L20 PolarHBondContact O-N 2.82Å; A16-V61 HydrophobicContact CB-CG1 4Å; A16-V61 HydrophobicContact CB-CG2 4.36Å; A16-V71 HydrophobicContact CB-CG1 4.42Å; A16-Y72 HydrophobicContact CB-CE1 4.32Å; A16-Y72 PolarHBondContact O-OH 3.41Å; A16-I75 HydrophobicContact CB-CD1 3.53Å
17I92.9Very high86.2Confident1 Ų168.6 Ų68.61%0.00531%0.314CS..Hα-helixtrans-64.4-47.4178.3-66.2170.6000110.8R13 R14 S19 L20 I21 I75 W76 L268 L269R13-I17 VanDerWaalsContact O-CG1 3.26Å; R13-I17 WeakPolarHBondContact O-CG1 3.23Å; R13-I17 PolarHBondContact O-N 2.95Å; R14-I17 PolarHBondContact O-N 2.83Å; I17-S19 VanDerWaalsContact C-N 3.26Å; I17-S19 PolarHBondContact O-N 3.32Å; I17-L20 PolarHBondContact O-N 2.62Å; I17-L20 VanDerWaalsContact O-N 3.1Å; I17-I21 HydrophobicContact CG2-CD1 3.76Å; I17-I21 HydrophobicContact CG2-CG1 4.47Å; I17-I21 WeakPolarHBondContact O-CG1 3.43Å; I17-I21 PolarHBondContact O-N 3.2Å; I17-I75 HydrophobicContact CD1-CG2 4.13Å; I17-I75 HydrophobicContact CG1-CG2 4.23Å; I17-W76 HydrophobicContact CD1-CZ2 4.13Å; I17-W76 HydrophobicContact CG1-CH2 4.19Å; I17-W76 HydrophobicContact CG1-CZ2 3.71Å; I17-L268 HydrophobicContact CG2-CB 3.73Å; I17-L268 HydrophobicContact CG2-CD1 4.24Å; I17-L269 HydrophobicContact CD1-CB 4.31Å; I17-L269 HydrophobicContact CD1-CD1 3.93Å
18E90.7Very high88Confident43 Ų4372.5 Ų72.520%0.20132%0.321CS..Hα-helixtrans-58.6-40.2174.8-72.1167.7173.300111.4R14 R15 K22 I265R14-E18 HydrophobicContact CG-CG 4.44Å; R14-E18 WeakPolarHBondContact CG-OE1 3.36Å; R14-E18 IonicContact CZ-OE1 3.17Å; R14-E18 IonicContact NE-OE1 2.74Å; R14-E18 PolarHBondContact NE-OE1 3.2Å; R14-E18 IonicContact NH2-OE1 3.35Å; R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 VanDerWaalsContact O-CG 3.3Å; R14-E18 WeakPolarHBondContact O-CG 3.37Å; R14-E18 PolarHBondContact O-N 3.28Å; R15-E18 IonicContact CZ-OE2 2.71Å; R15-E18 IonicContact NE-OE2 2.66Å; R15-E18 PolarHBondContact NE-OE2 2.78Å; R15-E18 IonicContact NH2-OE1 3.06Å; R15-E18 PolarHBondContact NH2-OE1 3.48Å; R15-E18 IonicContact NH2-OE2 2.71Å; R15-E18 PolarHBondContact NH2-OE2 2.8Å; E18-K22 WeakPolarHBondContact O-CB 3.04Å; E18-K22 PolarHBondContact O-N 3.26Å; E18-I265 HydrophobicContact CG-CG2 4.34Å
19S94.2Very high89.5Confident35 Ų3572.8 Ų72.825%0.24532%0.324CS..Hα-helixtrans-66.6-34.3175.9-163.80000112.9R15 A16 I17 K23R15-S19 VanDerWaalsContact O-CB 3.22Å; R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.24Å; A16-S19 WeakPolarHBondContact O-CB 3.36Å; A16-S19 PolarHBondContact O-N 3.4Å; I17-S19 VanDerWaalsContact C-N 3.26Å; I17-S19 PolarHBondContact O-N 3.32Å; S19-K23 WeakPolarHBondContact O-CG 3.34Å; S19-K23 PolarHBondContact O-N 3.26Å; S19-K23 PolarHBondContact O-NZ 2.8Å; S19-K23 PolarHBondContact OG-NZ 3.45Å
20L96.5Very high90.9Very high1 Ų171.9 Ų71.91%0.00532%0.32CS..Hα-helixtrans-70.4-48.9175.8-174.855.8000111.1A16 I17 K22 K23 L24 L34 I51 Y72 W76 V105A16-L20 PolarHBondContact O-N 2.82Å; I17-L20 PolarHBondContact O-N 2.62Å; I17-L20 VanDerWaalsContact O-N 3.1Å; L20-K22 VanDerWaalsContact C-N 3.26Å; L20-K22 PolarHBondContact O-N 3.2Å; L20-K23 CarbonylContact O-C 3.57Å; L20-K23 WeakPolarHBondContact O-CA 3.26Å; L20-K23 WeakPolarHBondContact O-CB 3.36Å; L20-K23 PolarHBondContact O-N 2.79Å; L20-L24 HydrophobicContact CD1-CD1 3.96Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CD2-CD1 4.39Å; L20-L24 HydrophobicContact CG-CD1 3.84Å; L20-L24 HydrophobicContact CG-CG 4.29Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.17Å; L20-L34 HydrophobicContact CD2-CD2 3.52Å; L20-L34 HydrophobicContact CG-CD2 4.42Å; L20-I51 HydrophobicContact CD1-CG2 3.6Å; L20-Y72 HydrophobicContact CB-CE1 3.76Å; L20-Y72 WeakPolarHBondContact CB-OH 3.47Å; L20-Y72 HydrophobicContact CD1-CE2 4.18Å; L20-Y72 HydrophobicContact CD2-CD1 3.96Å; L20-Y72 HydrophobicContact CD2-CE1 3.79Å; L20-Y72 HydrophobicContact CD2-CE2 4.47Å; L20-Y72 HydrophobicContact CD2-CG 4.38Å; L20-Y72 HydrophobicContact CG-CE1 4.24Å; L20-W76 HydrophobicContact CD2-CH2 3.59Å; L20-W76 HydrophobicContact CD2-CZ3 3.83Å; L20-V105 HydrophobicContact CD1-CG2 3.79Å; L20-V105 HydrophobicContact CD2-CG2 4.34Å
21I91.8Very high91.9Very high33 Ų3370.8 Ų70.817%0.16931%0.312CS..Hα-helixtrans-58-42.5179.6-67.1164.3000110.3I17 K23 L24 K25 V264 I265 L268I17-I21 HydrophobicContact CG2-CD1 3.76Å; I17-I21 HydrophobicContact CG2-CG1 4.47Å; I17-I21 WeakPolarHBondContact O-CG1 3.43Å; I17-I21 PolarHBondContact O-N 3.2Å; I21-K23 VanDerWaalsContact C-N 3.28Å; I21-K23 PolarHBondContact O-N 3.01Å; I21-L24 CarbonylContact O-C 3.45Å; I21-L24 PolarHBondContact O-N 3.07Å; I21-L24 VanDerWaalsContact O-N 3.14Å; I21-K25 PolarHBondContact O-N 3.44Å; I21-K25 VanDerWaalsContact O-N 3.09Å; I21-V264 HydrophobicContact CD1-CG1 4.5Å; I21-I265 HydrophobicContact CD1-CB 4.26Å; I21-I265 HydrophobicContact CD1-CG1 3.45Å; I21-I265 VanDerWaalsContact CD1-CG1 3.45Å; I21-L268 HydrophobicContact CD1-CD1 3.9Å; I21-L268 HydrophobicContact CG1-CD1 3.99Å
22K92.3Very high92.4Very high164 Ų16469.3 Ų69.371%0.71331%0.309SS*.Hα-helixtrans-60.3-35.5174.7-174.4175.8179.2178.10112.9E18 L20 K25E18-K22 WeakPolarHBondContact O-CB 3.04Å; E18-K22 PolarHBondContact O-N 3.26Å; L20-K22 VanDerWaalsContact C-N 3.26Å; L20-K22 PolarHBondContact O-N 3.2Å; K22-K25 WeakPolarHBondContact O-CG 3.27Å
23K95Very high92.8Very high79 Ų7968.9 Ų68.934%0.34331%0.308SS..Hα-helixtrans-75.9-26176.9-71.3-177.6-168.281.60113S19 L20 I21 I51S19-K23 WeakPolarHBondContact O-CG 3.34Å; S19-K23 PolarHBondContact O-N 3.26Å; S19-K23 PolarHBondContact O-NZ 2.8Å; S19-K23 PolarHBondContact OG-NZ 3.45Å; L20-K23 CarbonylContact O-C 3.57Å; L20-K23 WeakPolarHBondContact O-CA 3.26Å; L20-K23 WeakPolarHBondContact O-CB 3.36Å; L20-K23 PolarHBondContact O-N 2.79Å; I21-K23 VanDerWaalsContact C-N 3.28Å; I21-K23 PolarHBondContact O-N 3.01Å; K23-I51 HydrophobicContact CB-CG2 4.22Å; K23-I51 HydrophobicContact CD-CB 4.06Å; K23-I51 HydrophobicContact CD-CD1 4.39Å; K23-I51 HydrophobicContact CD-CG2 3.92Å
24L95.7Very high93.1Very high0 Ų067.1 Ų67.10%030%0.302CS..THydrogen-bonded Turntrans-95.16.8179-60.7179.1000113.3L20 I21 D26 K27 E30 L31 L34 V49L20-L24 HydrophobicContact CD1-CD1 3.96Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CD2-CD1 4.39Å; L20-L24 HydrophobicContact CG-CD1 3.84Å; L20-L24 HydrophobicContact CG-CG 4.29Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.17Å; I21-L24 CarbonylContact O-C 3.45Å; I21-L24 PolarHBondContact O-N 3.07Å; I21-L24 VanDerWaalsContact O-N 3.14Å; L24-D26 PolarHBondContact O-N 2.81Å; L24-D26 VanDerWaalsContact O-N 3.16Å; L24-K27 HydrophobicContact CD2-CB 4.38Å; L24-K27 HydrophobicContact CD2-CD 4.21Å; L24-K27 CarbonylContact O-C 3.4Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 2.84Å; L24-E30 HydrophobicContact CD2-CB 4.37Å; L24-L31 HydrophobicContact CB-CB 4.39Å; L24-L31 HydrophobicContact CD1-CD1 4.24Å; L24-L34 HydrophobicContact CD1-CD2 4.18Å; L24-V49 HydrophobicContact CD1-CG1 3.6Å; L24-V49 HydrophobicContact CD2-CG1 4.02Å; L24-V49 HydrophobicContact CG-CG1 4.46Å
25K90.3Very high93.1Very high149 Ų14963.4 Ų63.465%0.64829%0.291SS*.THydrogen-bonded Turntrans-55.8-35.7-174.270.2174.4-169.2163.30113.6I21 K22I21-K25 PolarHBondContact O-N 3.44Å; I21-K25 VanDerWaalsContact O-N 3.09Å; K22-K25 WeakPolarHBondContact O-CG 3.27Å
26D93.5Very high93Very high136 Ų13662.9 Ų62.973%0.72729%0.293SS*.THydrogen-bonded Turntrans-99.67.1179.8-51.8-44.7000111.8L24L24-D26 PolarHBondContact O-N 2.81Å; L24-D26 VanDerWaalsContact O-N 3.16Å
27K95Very high92.9Very high63 Ų6362.9 Ų62.927%0.27429%0.293SS..  trans-12353.6-177.9-57.4-170.4-178.2-175.40110.7L24 E29 E30 L31 T50L24-K27 HydrophobicContact CD2-CB 4.38Å; L24-K27 HydrophobicContact CD2-CD 4.21Å; L24-K27 CarbonylContact O-C 3.4Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 2.84Å; K27-E29 PolarHBondContact O-N 2.86Å; K27-E29 VanDerWaalsContact O-N 3.13Å; K27-E30 HydrophobicContact CB-CB 4.13Å; K27-E30 HydrophobicContact CB-CG 4.2Å; K27-E30 HydrophobicContact CD-CG 4.4Å; K27-E30 WeakPolarHBondContact CD-OE2 3.35Å; K27-E30 IonicContact NZ-OE1 3.7Å; K27-E30 IonicContact NZ-OE2 3.81Å; K27-E30 PolarHBondContact O-N 2.92Å; K27-L31 PolarHBondContact O-N 3.38Å; K27-T50 PolarHBondContact NZ-O 3.07Å; K27-T50 PolarHBondContact NZ-OG1 3.13Å
28R91.9Very high92.5Very high193 Ų19363 Ų6373%0.72829%0.294SS*.Hα-helixtrans-47.5-46-177.4177.1176177.8169.60.6112.3E30 L31 D32R28-E30 VanDerWaalsContact C-N 3.33Å; R28-E30 PolarHBondContact O-N 2.95Å; R28-L31 WeakPolarHBondContact O-CB 3.43Å; R28-L31 PolarHBondContact O-N 2.81Å; R28-L31 VanDerWaalsContact O-N 3.1Å; R28-D32 IonicContact NE-OD2 3.91Å; R28-D32 PolarHBondContact O-N 2.92Å
29E94.3Very high92.1Very high139 Ų13961.6 Ų61.665%0.6529%0.288SS*.Hα-helixtrans-57.4-41.7179.1-108-167-134.200113.4K27 A33 K47K27-E29 PolarHBondContact O-N 2.86Å; K27-E29 VanDerWaalsContact O-N 3.13Å; E29-A33 PolarHBondContact O-N 3.49Å; E29-A33 VanDerWaalsContact O-N 3.16Å; E29-K47 WeakPolarHBondContact O-CE 3.33Å; E29-K47 PolarHBondContact O-NZ 3.04Å; E29-K47 IonicContact OE2-NZ 2.75Å; E29-K47 PolarHBondContact OE2-NZ 3.24Å
30E97Very high91.4Very high32 Ų3261.4 Ų61.415%0.1529%0.285CS..Hα-helixtrans-73.5-34.3175.3-63.9-172.4-174.100111.9L24 K27 R28 A33 L34 V49 T50L24-E30 HydrophobicContact CD2-CB 4.37Å; K27-E30 HydrophobicContact CB-CB 4.13Å; K27-E30 HydrophobicContact CB-CG 4.2Å; K27-E30 HydrophobicContact CD-CG 4.4Å; K27-E30 WeakPolarHBondContact CD-OE2 3.35Å; K27-E30 IonicContact NZ-OE1 3.7Å; K27-E30 IonicContact NZ-OE2 3.81Å; K27-E30 PolarHBondContact O-N 2.92Å; R28-E30 VanDerWaalsContact C-N 3.33Å; R28-E30 PolarHBondContact O-N 2.95Å; E30-A33 PolarHBondContact O-N 2.84Å; E30-L34 PolarHBondContact O-N 2.97Å; E30-V49 HydrophobicContact CB-CG1 4.47Å; E30-V49 WeakPolarHBondContact O-CG2 3.4Å; E30-T50 PolarHBondContact OE1-OG1 2.72Å; E30-T50 PolarHBondContact OE2-N 3.28Å; E30-T50 PolarHBondContact OE2-OG1 3.12Å
31L93.1Very high90.7Very high27 Ų2764.4 Ų64.414%0.14131%0.306CS..Hα-helixtrans-62.9-43.9174.2-18061.7000111.2L24 K27 R28 A33 L34 I35 V264 L268L24-L31 HydrophobicContact CB-CB 4.39Å; L24-L31 HydrophobicContact CD1-CD1 4.24Å; K27-L31 PolarHBondContact O-N 3.38Å; R28-L31 WeakPolarHBondContact O-CB 3.43Å; R28-L31 PolarHBondContact O-N 2.81Å; R28-L31 VanDerWaalsContact O-N 3.1Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.9Å; L31-L34 WeakPolarHBondContact O-CB 3.32Å; L31-L34 PolarHBondContact O-N 3.37Å; L31-I35 HydrophobicContact CD1-CD1 4.43Å; L31-I35 HydrophobicContact CG-CD1 4.16Å; L31-I35 WeakPolarHBondContact O-CG1 3.19Å; L31-I35 PolarHBondContact O-N 3.05Å; L31-V264 HydrophobicContact CD1-CG1 4.43Å; L31-L268 HydrophobicContact CD1-CD1 4.46Å
32D90.5Very high90.3Very high77 Ų7764.3 Ų64.341%0.41231%0.313SS..Hα-helixtrans-62.7-41.3175.8-67.8-25.4000110.9R28 L34 I35 Q36R28-D32 IonicContact NE-OD2 3.91Å; R28-D32 PolarHBondContact O-N 2.92Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 3.33Å; D32-I35 PolarHBondContact O-N 2.8Å; D32-Q36 WeakPolarHBondContact O-CB 3.48Å; D32-Q36 PolarHBondContact O-N 2.85Å
33A94.4Very high89.6Confident6 Ų660.4 Ų60.45%0.0531%0.307CS..Hα-helixtrans-63.3-35.5174.600000113.3E29 E30 L31 A37 T46 K47 V49E29-A33 PolarHBondContact O-N 3.49Å; E29-A33 VanDerWaalsContact O-N 3.16Å; E30-A33 PolarHBondContact O-N 2.84Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.9Å; A33-A37 VanDerWaalsContact O-CB 3.26Å; A33-A37 WeakPolarHBondContact O-CB 3.08Å; A33-A37 PolarHBondContact O-N 3.09Å; A33-T46 PolarHBondContact O-OG1 2.91Å; A33-K47 HydrophobicContact CB-CD 4.42Å; A33-K47 HydrophobicContact CB-CG 3.48Å; A33-K47 VanDerWaalsContact CB-CG 3.48Å; A33-V49 HydrophobicContact CB-CG2 4.5Å
34L93.9Very high89Confident1 Ų161.7 Ų61.71%0.00531%0.314CS..Hα-helixtrans-66.3-48.8173.9-177.564.2000110.9L20 L24 E30 L31 D32 Q36 A37 I38 V49 W76L20-L34 HydrophobicContact CD2-CD2 3.52Å; L20-L34 HydrophobicContact CG-CD2 4.42Å; L24-L34 HydrophobicContact CD1-CD2 4.18Å; E30-L34 PolarHBondContact O-N 2.97Å; L31-L34 WeakPolarHBondContact O-CB 3.32Å; L31-L34 PolarHBondContact O-N 3.37Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 3.33Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 2.79Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-I38 HydrophobicContact CD1-CD1 3.72Å; L34-I38 HydrophobicContact CD1-CG1 4.29Å; L34-I38 HydrophobicContact CG-CD1 3.74Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.4Å; L34-V49 HydrophobicContact CB-CG1 4.25Å; L34-V49 HydrophobicContact CB-CG2 3.85Å; L34-V49 HydrophobicContact CD1-CG2 4.33Å; L34-V49 HydrophobicContact CD2-CG1 4.44Å; L34-W76 HydrophobicContact CD1-CZ3 4.41Å; L34-W76 HydrophobicContact CD2-CH2 4.27Å
35I88Confident88.6Confident49 Ų4967.1 Ų67.125%0.25135%0.349SS..Hα-helixtrans-59.5-47.7179-67.5165.7000109.8L31 D32 I38 T39 V264 L268L31-I35 HydrophobicContact CD1-CD1 4.43Å; L31-I35 HydrophobicContact CG-CD1 4.16Å; L31-I35 WeakPolarHBondContact O-CG1 3.19Å; L31-I35 PolarHBondContact O-N 3.05Å; D32-I35 PolarHBondContact O-N 2.8Å; I35-I38 PolarHBondContact O-N 3.06Å; I35-T39 VanDerWaalsContact O-CB 3.23Å; I35-T39 WeakPolarHBondContact O-CB 3.48Å; I35-T39 PolarHBondContact O-N 3.46Å; I35-T39 PolarHBondContact O-OG1 2.69Å; I35-V264 HydrophobicContact CD1-CG1 3.96Å; I35-L268 HydrophobicContact CG1-CD2 4.34Å
36Q88.3Confident88.9Confident92 Ų9260.9 Ų60.943%0.4332%0.323SS..Hα-helixtrans-61.4-46.3178-175.2-177.51500111.5D32 L34 I38 T39 T40 T46D32-Q36 WeakPolarHBondContact O-CB 3.48Å; D32-Q36 PolarHBondContact O-N 2.85Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 2.79Å; Q36-I38 VanDerWaalsContact C-N 3.32Å; Q36-I38 PolarHBondContact O-N 2.99Å; Q36-T39 PolarHBondContact O-N 3.1Å; Q36-T40 HydrophobicContact CG-CG2 4.19Å; Q36-T40 VanDerWaalsContact O-CB 3.32Å; Q36-T40 WeakPolarHBondContact O-CB 3.29Å; Q36-T40 VanDerWaalsContact O-CG2 3.29Å; Q36-T40 WeakPolarHBondContact O-CG2 3.23Å; Q36-T40 PolarHBondContact O-N 3.33Å; Q36-T40 PolarHBondContact O-OG1 3.02Å; Q36-T46 HydrophobicContact CB-CG2 4.03Å; Q36-T46 HydrophobicContact CG-CG2 3.89Å
37A90.5Very high89Confident0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-58.6-45.1179.900000111.9A33 L34 S41 G42 T46 Y108A33-A37 VanDerWaalsContact O-CB 3.26Å; A33-A37 WeakPolarHBondContact O-CB 3.08Å; A33-A37 PolarHBondContact O-N 3.09Å; L34-A37 PolarHBondContact O-N 3.46Å; A37-S41 PolarHBondContact O-N 2.77Å; A37-G42 PolarHBondContact O-N 3.49Å; A37-T46 HydrophobicContact CB-CG2 4.11Å; A37-T46 WeakPolarHBondContact CB-OG1 3.48Å; A37-Y108 HydrophobicContact CB-CD2 3.79Å; A37-Y108 HydrophobicContact CB-CG 4.49Å; A37-Y108 WeakPolarHBondContact O-CD2 3.25Å; A37-Y108 WeakPolarHBondContact O-CE2 3.42Å
38I86.3Confident89.2Confident5 Ų556.2 Ų56.23%0.02630%0.298CS..Hα-helixtrans-70.8-44.5-179.2-60.4163.1000111L34 I35 Q36 T40 S41 W76 P107 Y108 L268 L271L34-I38 HydrophobicContact CD1-CD1 3.72Å; L34-I38 HydrophobicContact CD1-CG1 4.29Å; L34-I38 HydrophobicContact CG-CD1 3.74Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.4Å; I35-I38 PolarHBondContact O-N 3.06Å; Q36-I38 VanDerWaalsContact C-N 3.32Å; Q36-I38 PolarHBondContact O-N 2.99Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.13Å; I38-S41 PolarHBondContact O-N 3.06Å; I38-W76 HydrophobicContact CD1-CD2 3.62Å; I38-W76 HydrophobicContact CD1-CE3 4.2Å; I38-W76 HydrophobicContact CD1-CG 3.77Å; I38-W76 HydrophobicContact CD1-CZ2 4.13Å; I38-W76 HydrophobicContact CG1-CB 4.38Å; I38-W76 HydrophobicContact CG1-CD2 4.34Å; I38-W76 HydrophobicContact CG1-CG 4.06Å; I38-W76 HydrophobicContact CG2-CG 4.38Å; I38-P107 HydrophobicContact CG1-CG 4.33Å; I38-Y108 HydrophobicContact CG1-CE2 4.43Å; I38-L268 HydrophobicContact CD1-CD2 3.52Å; I38-L271 HydrophobicContact CB-CD1 4.37Å; I38-L271 HydrophobicContact CG2-CB 3.53Å; I38-L271 HydrophobicContact CG2-CD1 3.73Å; I38-L271 HydrophobicContact CG2-CD2 4.5Å; I38-L271 HydrophobicContact CG2-CG 4.11Å
39T80.5Confident89.5Confident13 Ų1347 Ų478%0.0826%0.263CS..Hα-helixtrans-68.3-29.1-177.2-540000112.4I35 Q36 Q251 A254 V255I35-T39 VanDerWaalsContact O-CB 3.23Å; I35-T39 WeakPolarHBondContact O-CB 3.48Å; I35-T39 PolarHBondContact O-N 3.46Å; I35-T39 PolarHBondContact O-OG1 2.69Å; Q36-T39 PolarHBondContact O-N 3.1Å; T39-Q251 HydrophobicContact CG2-CG 4.31Å; T39-Q251 VanDerWaalsContact O-CG 3.31Å; T39-Q251 WeakPolarHBondContact O-CG 3.16Å; T39-Q251 PolarHBondContact O-NE2 3.45Å; T39-A254 HydrophobicContact CG2-CB 3.95Å; T39-V255 HydrophobicContact CG2-CG2 3.58Å
40T81.5Confident89.7Confident31 Ų3140.5 Ų40.519%0.1923%0.233CC..THydrogen-bonded Turntrans-97.14.1179.664.40000112.9Q36 I38 G42 S43Q36-T40 HydrophobicContact CG-CG2 4.19Å; Q36-T40 VanDerWaalsContact O-CB 3.32Å; Q36-T40 WeakPolarHBondContact O-CB 3.29Å; Q36-T40 VanDerWaalsContact O-CG2 3.29Å; Q36-T40 WeakPolarHBondContact O-CG2 3.23Å; Q36-T40 PolarHBondContact O-N 3.33Å; Q36-T40 PolarHBondContact O-OG1 3.02Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.13Å; T40-G42 PolarHBondContact O-N 3.1Å; T40-G42 VanDerWaalsContact O-N 3.12Å; T40-S43 WeakPolarHBondContact CB-OG 3.4Å; T40-S43 VanDerWaalsContact O-CB 3.28Å; T40-S43 WeakPolarHBondContact O-CB 3.41Å; T40-S43 PolarHBondContact O-N 3.05Å; T40-S43 PolarHBondContact O-OG 3.39Å
41S80.6Confident89.7Confident64 Ų6439.2 Ų39.245%0.44823%0.227SC..THydrogen-bonded Turntrans48.435.6-171.8-59.50000113.7A37 I38 S43 Y108 Q251A37-S41 PolarHBondContact O-N 2.77Å; I38-S41 PolarHBondContact O-N 3.06Å; S41-S43 PolarHBondContact O-N 3.29Å; S41-Y108 VanDerWaalsContact C-CZ 3.48Å; S41-Y108 WeakPolarHBondContact CA-OH 3.33Å; S41-Y108 WeakPolarHBondContact O-CE1 3.44Å; S41-Q251 PolarHBondContact OG-NE2 3.38Å
42G82.7Confident89.9Confident30 Ų3044 Ų4431%0.30925%0.249SC..THydrogen-bonded Turntrans70.111.1-177.900000115.6A37 T40 H44 Y108A37-G42 PolarHBondContact O-N 3.49Å; T40-G42 PolarHBondContact O-N 3.1Å; T40-G42 VanDerWaalsContact O-N 3.12Å; G42-H44 PolarHBondContact O-N 3.31Å; G42-Y108 VanDerWaalsContact CA-CD1 3.42Å
43S79.1Confident90.2Very high83 Ų8342.8 Ų42.858%0.5824%0.238SC*.SBendtrans-60.5-25.417555.20000112.9T40 S41T40-S43 WeakPolarHBondContact CB-OG 3.4Å; T40-S43 VanDerWaalsContact O-CB 3.28Å; T40-S43 WeakPolarHBondContact O-CB 3.41Å; T40-S43 PolarHBondContact O-N 3.05Å; T40-S43 PolarHBondContact O-OG 3.39Å; S41-S43 PolarHBondContact O-N 3.29Å
44H81.6Confident90.2Very high106 Ų10645.3 Ų45.349%0.49125%0.254SS..SBendtrans-113.4128.6174-6181.6000109.6G42 T46G42-H44 PolarHBondContact O-N 3.31Å; H44-T46 PolarHBondContact O-N 3.31Å
45P88.5Confident90Very high113 Ų11354.6 Ų54.673%0.73430%0.302SS*.  trans-59.6129.9172.8-23.333.4000111
46T94.9Very high90.1Very high18 Ų1855.8 Ų55.811%0.1131%0.309CS..  trans-122.7163.8173.273.30000110.8A33 Q36 A37 H44 N106 H109A33-T46 PolarHBondContact O-OG1 2.91Å; Q36-T46 HydrophobicContact CB-CG2 4.03Å; Q36-T46 HydrophobicContact CG-CG2 3.89Å; A37-T46 HydrophobicContact CB-CG2 4.11Å; A37-T46 WeakPolarHBondContact CB-OG1 3.48Å; H44-T46 PolarHBondContact O-N 3.31Å; T46-N106 PolarHBondContact OG1-ND2 2.94Å; T46-H109 PolarHBondContact O-CE1 3.3Å; T46-H109 PolarHBondContact O-NE2 3.5Å
47K96.4Very high90.3Very high86 Ų8651.5 Ų51.537%0.37429%0.29SS..  trans-70.3169.5-179.563.7175.5170.4-134.40113.3E29 A33 N106 H109E29-K47 WeakPolarHBondContact O-CE 3.33Å; E29-K47 PolarHBondContact O-NZ 3.04Å; E29-K47 IonicContact OE2-NZ 2.75Å; E29-K47 PolarHBondContact OE2-NZ 3.24Å; A33-K47 HydrophobicContact CB-CD 4.42Å; A33-K47 HydrophobicContact CB-CG 3.48Å; A33-K47 VanDerWaalsContact CB-CG 3.48Å; K47-N106 PolarHBondContact O-ND2 2.78Å; K47-N106 VanDerWaalsContact O-ND2 3.07Å; K47-H109 VanDerWaalsContact C-CE1 3.42Å; K47-H109 PolarHBondContact O-CE1 3.44Å; K47-H109 PolarHBondContact O-NE2 3.27Å
48C98.3Very high90.5Very high15 Ų1556.6 Ų56.610%0.10131%0.309CS..  trans-62.4144.7174.8-65.50000110.6T50 Y94 H109C48-T50 HydrophobicContact CB-CG2 3.95Å; C48-Y94 HydrophobicContact CB-CD2 3.7Å; C48-Y94 HydrophobicContact CB-CE2 4.37Å; C48-H109 VanDerWaalsContact CA-CE1 3.42Å; C48-H109 WeakPolarHBondContact CA-CE1 3.28Å; C48-H109 PolarHBondContact N-CE1 2.97Å; C48-H109 VanDerWaalsContact N-CE1 3.33Å; C48-H109 PolarHBondContact SG-CE1 3.48Å; C48-H109 PolarHBondContact SG-ND1 3.29Å; C48-H109 VanDerWaalsContact SG-ND1 3.41Å
49V98.4Very high90.8Very high0 Ų057 Ų570%031%0.311CS..  trans-115.7112.7174.1-179.90000105.7L24 E30 A33 L34 C104 V105 N106L24-V49 HydrophobicContact CD1-CG1 3.6Å; L24-V49 HydrophobicContact CD2-CG1 4.02Å; L24-V49 HydrophobicContact CG-CG1 4.46Å; E30-V49 HydrophobicContact CB-CG1 4.47Å; E30-V49 WeakPolarHBondContact O-CG2 3.4Å; A33-V49 HydrophobicContact CB-CG2 4.5Å; L34-V49 HydrophobicContact CB-CG1 4.25Å; L34-V49 HydrophobicContact CB-CG2 3.85Å; L34-V49 HydrophobicContact CD1-CG2 4.33Å; L34-V49 HydrophobicContact CD2-CG1 4.44Å; V49-C104 CarbonylContact O-C 3.58Å; V49-C104 WeakPolarHBondContact O-CA 3.3Å; V49-V105 HydrophobicContact CB-CG2 4.26Å; V49-V105 HydrophobicContact CG1-CG2 3.85Å; V49-V105 WeakPolarHBondContact O-CG2 3.13Å; V49-V105 PolarHBondContact O-N 2.85Å; V49-N106 HydrophobicContact CB-CB 4.04Å; V49-N106 HydrophobicContact CG2-CB 3.84Å
50T98.3Very high91.4Very high2 Ų262 Ų621%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-119.1136.3-161.266.50000113K27 E30 C48 Y94 V103K27-T50 PolarHBondContact NZ-O 3.07Å; K27-T50 PolarHBondContact NZ-OG1 3.13Å; E30-T50 PolarHBondContact OE1-OG1 2.72Å; E30-T50 PolarHBondContact OE2-N 3.28Å; E30-T50 PolarHBondContact OE2-OG1 3.12Å; C48-T50 HydrophobicContact CB-CG2 3.95Å; T50-Y94 HydrophobicContact CG2-CD1 4.45Å; T50-Y94 HydrophobicContact CG2-CD2 3.53Å; T50-Y94 HydrophobicContact CG2-CE2 4.12Å; T50-Y94 HydrophobicContact CG2-CG 3.71Å; T50-V103 WeakPolarHBondContact CA-O 3.28Å
51I97.8Very high91.9Very high5 Ų561 Ų613%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-122.7157.5169.669.6169.4000110.7L20 K23 R53 P68 Y72 L102 V103 V105L20-I51 HydrophobicContact CD1-CG2 3.6Å; K23-I51 HydrophobicContact CB-CG2 4.22Å; K23-I51 HydrophobicContact CD-CB 4.06Å; K23-I51 HydrophobicContact CD-CD1 4.39Å; K23-I51 HydrophobicContact CD-CG2 3.92Å; I51-R53 PolarHBondContact O-N 3.39Å; I51-P68 HydrophobicContact CD1-CB 3.73Å; I51-P68 HydrophobicContact CD1-CG 4.07Å; I51-P68 HydrophobicContact CG1-CB 4.41Å; I51-Y72 HydrophobicContact CD1-CE2 4.45Å; I51-L102 WeakPolarHBondContact O-CA 3.25Å; I51-V103 PolarHBondContact N-O 3.44Å; I51-V103 PolarHBondContact O-N 2.87Å; I51-V105 HydrophobicContact CD1-CG1 4.01Å; I51-V105 HydrophobicContact CG1-CG1 3.95Å; I51-V105 HydrophobicContact CG2-CG2 4.2Å
52Q96.9Very high92.2Very high128 Ų12860.7 Ų60.760%0.59833%0.329SS*.EExtended strand (participates in β ladder)trans-59.9130.4175.6-169.562.840.300111.5D101Q52-D101 PolarHBondContact NE2-O 3.24Å; Q52-D101 VanDerWaalsContact NE2-O 3.17Å
53R96.7Very high92.4Very high51 Ų5162.3 Ų62.319%0.19235%0.345CS..PPolyproline II helixtrans-70.4130.1169.4178.4174.2-88.5-81.91.3109.6I51 F96 V100 D101 V103I51-R53 PolarHBondContact O-N 3.39Å; R53-F96 VanDerWaalsContact NH2-CD2 3.28Å; R53-F96 PolarHBondContact NH2-O 2.98Å; R53-V100 WeakPolarHBondContact CD-O 3.42Å; R53-V100 PolarHBondContact NE-O 3.17Å; R53-V100 VanDerWaalsContact NE-O 3.14Å; R53-D101 WeakPolarHBondContact CB-O 3.48Å; R53-D101 PolarHBondContact N-O 3.41Å; R53-V103 HydrophobicContact CB-CG2 3.99Å; R53-V103 HydrophobicContact CG-CG2 4.32Å
54T94.6Very high92.8Very high60 Ų6063.6 Ų63.637%0.36834%0.337SS..PPolyproline II helixtrans-80.6162.7169.261.70000110.7D56 G57 R58T54-D56 PolarHBondContact O-N 2.97Å; T54-D56 PolarHBondContact OG1-OD1 3.19Å; T54-G57 PolarHBondContact O-N 3.02Å; T54-G57 WeakPolarHBondContact OG1-CA 3.44Å; T54-G57 PolarHBondContact OG1-N 3.42Å; T54-G57 VanDerWaalsContact OG1-N 3.14Å; T54-R58 PolarHBondContact OG1-N 3.03Å; T54-R58 PolarHBondContact OG1-O 2.97Å; T54-R58 VanDerWaalsContact OG1-O 3.12Å
55L90.6Very high93.1Very high196 Ų19664.3 Ų64.3100%1.02634%0.339SS*.THydrogen-bonded Turntrans-52.4-39.3178.1-65.5173.7000113.2
56D90.4Very high93.1Very high74 Ų7459.9 Ų59.940%0.39631%0.314SS..THydrogen-bonded Turntrans-96.53178.871.4-13.5000113.8T54 R58T54-D56 PolarHBondContact O-N 2.97Å; T54-D56 PolarHBondContact OG1-OD1 3.19Å; D56-R58 PolarHBondContact O-N 3.41Å; D56-R58 PolarHBondContact OD1-N 3.23Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 3.74Å; D56-R58 PolarHBondContact OD2-NE 3.28Å; D56-R58 IonicContact OD2-NH2 3.4Å; D56-R58 PolarHBondContact OD2-NH2 2.89Å
57G91.9Very high93.1Very high2 Ų262.1 Ų62.12%0.02132%0.322CS..SBendtrans67.98.6-177.900000115.7T54 P68T54-G57 PolarHBondContact O-N 3.02Å; T54-G57 WeakPolarHBondContact OG1-CA 3.44Å; T54-G57 PolarHBondContact OG1-N 3.42Å; T54-G57 VanDerWaalsContact OG1-N 3.14Å; G57-P68 VanDerWaalsContact O-CD 3.24Å; G57-P68 WeakPolarHBondContact O-CD 3.43Å
58R94.2Very high93.1Very high106 Ų10658.3 Ų58.340%0.431%0.306SS..  trans-107130.8-177.4-62179.2-60.9-171.9-4.5112.1T54 D56 G66 F67T54-R58 PolarHBondContact OG1-N 3.03Å; T54-R58 PolarHBondContact OG1-O 2.97Å; T54-R58 VanDerWaalsContact OG1-O 3.12Å; D56-R58 PolarHBondContact O-N 3.41Å; D56-R58 PolarHBondContact OD1-N 3.23Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 3.74Å; D56-R58 PolarHBondContact OD2-NE 3.28Å; D56-R58 IonicContact OD2-NH2 3.4Å; D56-R58 PolarHBondContact OD2-NH2 2.89Å; R58-G66 CarbonylContact C-O 3.51Å; R58-G66 WeakPolarHBondContact CA-O 3.38Å; R58-F67 HydrophobicContact CG-CD1 4.21Å; R58-F67 HydrophobicContact CG-CE1 4.01Å
59L94Very high93Very high15 Ų1558.2 Ų58.28%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-81.5136.3168.7173.467.5000109.9V61 K65 G66 P68 Y72L59-V61 HydrophobicContact CD1-CG2 4.24Å; L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.88Å; L59-K65 WeakPolarHBondContact O-CA 3.45Å; L59-G66 PolarHBondContact N-O 2.77Å; L59-G66 PolarHBondContact O-N 2.94Å; L59-P68 HydrophobicContact CB-CB 4.49Å; L59-P68 HydrophobicContact CB-CG 4.02Å; L59-Y72 HydrophobicContact CD2-CE2 3.79Å
60Q92.7Very high92.8Very high117 Ų11758.5 Ų58.555%0.54731%0.306SS..EExtended strand (participates in β ladder)trans-107.2123.5171.4-173.4170.3-13.700110.8R64 K65Q60-R64 WeakPolarHBondContact CA-O 3.44Å; Q60-K65 HydrophobicContact CB-CG 4.23Å; Q60-K65 HydrophobicContact CG-CG 4.2Å
61V91.2Very high92.5Very high9 Ų959 Ų596%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-135.7127.2175.9175.50000108.7F12 R15 A16 L59 G63 R64F12-V61 HydrophobicContact CD2-CG1 4.18Å; F12-V61 HydrophobicContact CE2-CB 3.84Å; F12-V61 HydrophobicContact CE2-CG1 3.96Å; F12-V61 HydrophobicContact CZ-CB 4.47Å; R15-V61 HydrophobicContact CB-CG1 3.75Å; A16-V61 HydrophobicContact CB-CG1 4Å; A16-V61 HydrophobicContact CB-CG2 4.36Å; L59-V61 HydrophobicContact CD1-CG2 4.24Å; L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.88Å; V61-G63 PolarHBondContact O-N 3.2Å; V61-G63 VanDerWaalsContact O-N 3.14Å; V61-R64 PolarHBondContact N-O 3.07Å; V61-R64 PolarHBondContact O-N 3.47Å
62A87.7Confident92.5Very high59 Ų5958.8 Ų58.849%0.48831%0.308SS..THydrogen-bonded Turntrans48.143.5177.500000113.3F11 R15 R64F11-A62 HydrophobicContact CE1-CB 4.15Å; R15-A62 HydrophobicContact CB-CB 4.34Å; R15-A62 HydrophobicContact CG-CB 4.38Å; A62-R64 PolarHBondContact O-N 2.87Å
63G86.1Confident92.3Very high63 Ų6352.7 Ų52.765%0.64928%0.28SS*.THydrogen-bonded Turntrans78.6-10.5-179.100000115.8V61V61-G63 PolarHBondContact O-N 3.2Å; V61-G63 VanDerWaalsContact O-N 3.14Å
64R87Confident91.8Very high111 Ų11153.7 Ų53.742%0.41928%0.283SS..EExtended strand (participates in β ladder)trans-92.7135177.2-62.4173.874.4-179.16.9110.4E9 F12 Q60 V61 A62E9-R64 IonicContact OE2-NH1 3.76Å; E9-R64 PolarHBondContact OE2-NH1 2.87Å; E9-R64 VanDerWaalsContact OE2-NH1 3.1Å; F12-R64 HydrophobicContact CD2-CB 4.39Å; F12-R64 HydrophobicContact CD2-CG 4.46Å; F12-R64 HydrophobicContact CE2-CB 3.88Å; F12-R64 HydrophobicContact CE2-CG 4.41Å; Q60-R64 WeakPolarHBondContact CA-O 3.44Å; V61-R64 PolarHBondContact N-O 3.07Å; V61-R64 PolarHBondContact O-N 3.47Å; A62-R64 PolarHBondContact O-N 2.87Å
65K87.7Confident91.6Very high121 Ų12151 Ų5153%0.52627%0.267SS..EExtended strand (participates in β ladder)trans-101.6135.7172.8-66.7-172.2178.7-173.30110.4L59 Q60L59-K65 WeakPolarHBondContact O-CA 3.45Å; Q60-K65 HydrophobicContact CB-CG 4.23Å; Q60-K65 HydrophobicContact CG-CG 4.2Å
66G89.8Confident91.5Very high20 Ų2041.8 Ų41.821%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-159.8165.4177.800000112.2R58 L59R58-G66 CarbonylContact C-O 3.51Å; R58-G66 WeakPolarHBondContact CA-O 3.38Å; L59-G66 PolarHBondContact N-O 2.77Å; L59-G66 PolarHBondContact O-N 2.94Å
67F94.6Very high91.4Very high64 Ų6441 Ų4128%0.28121%0.21SC..  trans-74132.7176.9-63.7-65.9000110.6R58 H69 V70 V71 K83 F96R58-F67 HydrophobicContact CG-CD1 4.21Å; R58-F67 HydrophobicContact CG-CE1 4.01Å; F67-H69 PolarHBondContact O-N 2.65Å; F67-V70 HydrophobicContact CB-CB 4.17Å; F67-V70 HydrophobicContact CB-CG2 3.84Å; F67-V70 HydrophobicContact CD2-CG2 4.48Å; F67-V70 PolarHBondContact O-N 2.95Å; F67-V70 VanDerWaalsContact O-N 3.14Å; F67-V71 WeakPolarHBondContact O-CG2 3.22Å; F67-V71 PolarHBondContact O-N 2.74Å; F67-K83 HydrophobicContact CD2-CB 4.14Å; F67-K83 HydrophobicContact CE2-CB 4.43Å; F67-K83 HydrophobicContact CE2-CD 4.09Å; F67-F96 HydrophobicContact CD1-CE1 4.1Å; F67-F96 AromaticContact CD1-CE2 3.93Å; F67-F96 HydrophobicContact CD1-CE2 3.93Å; F67-F96 AromaticContact CD1-CZ 3.38Å; F67-F96 HydrophobicContact CD1-CZ 3.38Å; F67-F96 HydrophobicContact CE1-CE1 4.33Å; F67-F96 AromaticContact CE1-CZ 3.74Å; F67-F96 HydrophobicContact CE1-CZ 3.74Å; F67-F96 HydrophobicContact CG-CZ 4.26Å
68P97Very high90.9Very high6 Ų643 Ų434%0.03922%0.217CC..Hα-helixtrans-53-52.4-173.5-24.728000114I51 G57 L59 V70 V71 Y72 V103 V105I51-P68 HydrophobicContact CD1-CB 3.73Å; I51-P68 HydrophobicContact CD1-CG 4.07Å; I51-P68 HydrophobicContact CG1-CB 4.41Å; G57-P68 VanDerWaalsContact O-CD 3.24Å; G57-P68 WeakPolarHBondContact O-CD 3.43Å; L59-P68 HydrophobicContact CB-CB 4.49Å; L59-P68 HydrophobicContact CB-CG 4.02Å; P68-V70 VanDerWaalsContact C-N 3.32Å; P68-V70 PolarHBondContact O-N 2.8Å; P68-V71 PolarHBondContact O-N 2.8Å; P68-Y72 WeakPolarHBondContact O-CD2 3.14Å; P68-Y72 PolarHBondContact O-N 2.88Å; P68-V103 HydrophobicContact CB-CG1 4.1Å; P68-V103 HydrophobicContact CG-CG1 4.29Å; P68-V105 HydrophobicContact CB-CG1 3.68Å
69H95.8Very high89.8Confident14 Ų1440.1 Ų40.17%0.06521%0.212CC..Hα-helixtrans-60.5-39.3-179.662.5-72.2000112.5F67 A73 F96 Y110F67-H69 PolarHBondContact O-N 2.65Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 3.18Å; H69-F96 AromaticContact CE1-CD1 3.26Å; H69-F96 WeakPolarHBondContact CE1-CD1 3.29Å; H69-F96 AromaticContact CE1-CD2 3.5Å; H69-F96 AromaticContact CE1-CE1 3.76Å; H69-F96 AromaticContact CE1-CE2 3.97Å; H69-F96 AromaticContact CE1-CG 3.11Å; H69-F96 WeakPolarHBondContact CE1-CG 3.48Å; H69-F96 WeakPolarHBondContact ND1-CB 3.32Å; H69-F96 AromaticContact ND1-CD1 3.92Å; H69-F96 AromaticContact ND1-CD2 3.32Å; H69-F96 VanDerWaalsContact ND1-CD2 3.32Å; H69-F96 WeakPolarHBondContact ND1-CD2 3.06Å; H69-F96 AromaticContact ND1-CG 3.27Å; H69-F96 VanDerWaalsContact ND1-CG 3.27Å; H69-F96 WeakPolarHBondContact ND1-CG 3.48Å; H69-F96 AromaticContact NE2-CD1 3.95Å; H69-F96 AromaticContact NE2-CG 3.95Å; H69-Y110 HydrophobicContact CB-CD2 4.42Å; H69-Y110 HydrophobicContact CB-CE1 3.9Å; H69-Y110 HydrophobicContact CB-CE2 3.65Å; H69-Y110 VanDerWaalsContact CB-OH 3.3Å; H69-Y110 WeakPolarHBondContact CB-OH 3.39Å; H69-Y110 AromaticContact CD2-CE1 3.86Å
70V93Very high88.6Confident6 Ų642 Ų424%0.03622%0.222CC..Hα-helixtrans-67.6-44175.7-177.90000111.2F67 P68 Y72 R74 L81 K83 L86F67-V70 HydrophobicContact CB-CB 4.17Å; F67-V70 HydrophobicContact CB-CG2 3.84Å; F67-V70 HydrophobicContact CD2-CG2 4.48Å; F67-V70 PolarHBondContact O-N 2.95Å; F67-V70 VanDerWaalsContact O-N 3.14Å; P68-V70 VanDerWaalsContact C-N 3.32Å; P68-V70 PolarHBondContact O-N 2.8Å; V70-Y72 PolarHBondContact O-N 3.45Å; V70-R74 WeakPolarHBondContact O-CB 3.15Å; V70-R74 PolarHBondContact O-N 2.98Å; V70-L81 HydrophobicContact CG1-CD2 4.1Å; V70-L81 HydrophobicContact CG1-CG 4.49Å; V70-K83 HydrophobicContact CG1-CB 4.42Å; V70-K83 HydrophobicContact CG2-CB 4.21Å; V70-L86 HydrophobicContact CG2-CD1 4.3Å
71V93.5Very high87.9Confident13 Ų1336.5 Ų36.58%0.07920%0.196CC..Hα-helixtrans-59-49.6-179.9168.90000110.3F12 A16 F67 P68 R74 I75F12-V71 HydrophobicContact CE1-CG1 4.3Å; F12-V71 HydrophobicContact CZ-CG1 4.16Å; A16-V71 HydrophobicContact CB-CG1 4.42Å; F67-V71 WeakPolarHBondContact O-CG2 3.22Å; F67-V71 PolarHBondContact O-N 2.74Å; P68-V71 PolarHBondContact O-N 2.8Å; V71-R74 PolarHBondContact O-N 3.25Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 WeakPolarHBondContact O-CG1 3.32Å; V71-I75 PolarHBondContact O-N 3.15Å
72Y96.4Very high87.1Confident0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-77.9-33.3-175.8-66.8-60.2000113.3A16 L20 I51 L59 P68 V70 R74 I75 W76 V105A16-Y72 HydrophobicContact CB-CE1 4.32Å; A16-Y72 PolarHBondContact O-OH 3.41Å; L20-Y72 HydrophobicContact CB-CE1 3.76Å; L20-Y72 WeakPolarHBondContact CB-OH 3.47Å; L20-Y72 HydrophobicContact CD1-CE2 4.18Å; L20-Y72 HydrophobicContact CD2-CD1 3.96Å; L20-Y72 HydrophobicContact CD2-CE1 3.79Å; L20-Y72 HydrophobicContact CD2-CE2 4.47Å; L20-Y72 HydrophobicContact CD2-CG 4.38Å; L20-Y72 HydrophobicContact CG-CE1 4.24Å; I51-Y72 HydrophobicContact CD1-CE2 4.45Å; L59-Y72 HydrophobicContact CD2-CE2 3.79Å; P68-Y72 WeakPolarHBondContact O-CD2 3.14Å; P68-Y72 PolarHBondContact O-N 2.88Å; V70-Y72 PolarHBondContact O-N 3.45Å; Y72-R74 VanDerWaalsContact C-N 3.3Å; Y72-R74 PolarHBondContact O-N 2.88Å; Y72-I75 HydrophobicContact CD1-CD1 3.95Å; Y72-I75 HydrophobicContact CE1-CD1 4.34Å; Y72-I75 PolarHBondContact O-N 2.65Å; Y72-W76 HydrophobicContact CD1-CE3 4.2Å; Y72-W76 AromaticContact CD1-CH2 3.68Å; Y72-W76 HydrophobicContact CD1-CH2 3.68Å; Y72-W76 AromaticContact CD1-CZ3 3.27Å; Y72-W76 HydrophobicContact CD1-CZ3 3.27Å; Y72-W76 HydrophobicContact CE1-CH2 4.24Å; Y72-W76 HydrophobicContact CE1-CZ3 4.23Å; Y72-W76 HydrophobicContact CG-CE3 4.47Å; Y72-W76 AromaticContact CG-CZ3 3.73Å; Y72-W76 HydrophobicContact CG-CZ3 3.73Å; Y72-W76 VanDerWaalsContact O-CE3 3.27Å; Y72-W76 PolarHBondContact O-N 3.17Å; Y72-V105 HydrophobicContact CD2-CB 3.49Å; Y72-V105 VanDerWaalsContact CD2-CB 3.49Å; Y72-V105 HydrophobicContact CD2-CG1 3.55Å; Y72-V105 HydrophobicContact CD2-CG2 4.16Å; Y72-V105 HydrophobicContact CE2-CB 4.14Å; Y72-V105 HydrophobicContact CE2-CG1 3.91Å; Y72-V105 HydrophobicContact CE2-CG2 4.45Å; Y72-V105 HydrophobicContact CG-CB 4.19Å
73A92.3Very high86.5Confident0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-63.6-35.7168.300000112.2H69 R77 W78 L81 L86 P107H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 3.18Å; A73-R77 WeakPolarHBondContact O-CA 3.37Å; A73-R77 WeakPolarHBondContact O-CB 3.32Å; A73-R77 PolarHBondContact O-N 3.37Å; A73-W78 HydrophobicContact CB-CE3 4.27Å; A73-W78 HydrophobicContact CB-CZ3 4.4Å; A73-W78 PolarHBondContact O-N 2.96Å; A73-L81 HydrophobicContact CB-CD2 3.65Å; A73-L86 HydrophobicContact CB-CD1 3.82Å; A73-L86 HydrophobicContact CB-CD2 4.43Å; A73-P107 HydrophobicContact CB-CB 4.46Å
74R87.7Confident86Confident72 Ų7242.8 Ų42.827%0.27220%0.199SC..Hα-helixtrans-66.8-38.3174.2-173.5-176.5-64.9171.2-3.2112.6V70 V71 Y72 W78 P79 L81V70-R74 WeakPolarHBondContact O-CB 3.15Å; V70-R74 PolarHBondContact O-N 2.98Å; V71-R74 PolarHBondContact O-N 3.25Å; Y72-R74 VanDerWaalsContact C-N 3.3Å; Y72-R74 PolarHBondContact O-N 2.88Å; R74-W78 VanDerWaalsContact CA-O 3.27Å; R74-W78 WeakPolarHBondContact CA-O 3.41Å; R74-W78 WeakPolarHBondContact CG-O 3.5Å; R74-P79 WeakPolarHBondContact CG-O 3.29Å; R74-L81 HydrophobicContact CB-CB 4.37Å; R74-L81 PolarHBondContact NE-O 3.2Å; R74-L81 PolarHBondContact NH2-O 2.94Å
75I89.4Confident85.6Confident4 Ų439.1 Ų39.12%0.02119%0.187CC..Hα-helixtrans-66.8-42.1178.8-74169.8000111.4R13 A16 I17 V71 Y72 S272R13-I75 HydrophobicContact CG-CG1 4.29Å; A16-I75 HydrophobicContact CB-CD1 3.53Å; I17-I75 HydrophobicContact CD1-CG2 4.13Å; I17-I75 HydrophobicContact CG1-CG2 4.23Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 WeakPolarHBondContact O-CG1 3.32Å; V71-I75 PolarHBondContact O-N 3.15Å; Y72-I75 HydrophobicContact CD1-CD1 3.95Å; Y72-I75 HydrophobicContact CE1-CD1 4.34Å; Y72-I75 PolarHBondContact O-N 2.65Å; I75-S272 WeakPolarHBondContact CG2-OG 3.47Å; I75-S272 WeakPolarHBondContact O-CA 3.48Å; I75-S272 WeakPolarHBondContact O-CB 3.15Å; I75-S272 PolarHBondContact O-OG 2.74Å
76W88.6Confident85.5Confident1 Ų134.3 Ų34.30%0.00417%0.167CC..Hα-helixtrans-115.13.3-169.4-69.7-63.4000116.3I17 L20 L34 I38 Y72 P107 L268 A275I17-W76 HydrophobicContact CD1-CZ2 4.13Å; I17-W76 HydrophobicContact CG1-CH2 4.19Å; I17-W76 HydrophobicContact CG1-CZ2 3.71Å; L20-W76 HydrophobicContact CD2-CH2 3.59Å; L20-W76 HydrophobicContact CD2-CZ3 3.83Å; L34-W76 HydrophobicContact CD1-CZ3 4.41Å; L34-W76 HydrophobicContact CD2-CH2 4.27Å; I38-W76 HydrophobicContact CD1-CD2 3.62Å; I38-W76 HydrophobicContact CD1-CE3 4.2Å; I38-W76 HydrophobicContact CD1-CG 3.77Å; I38-W76 HydrophobicContact CD1-CZ2 4.13Å; I38-W76 HydrophobicContact CG1-CB 4.38Å; I38-W76 HydrophobicContact CG1-CD2 4.34Å; I38-W76 HydrophobicContact CG1-CG 4.06Å; I38-W76 HydrophobicContact CG2-CG 4.38Å; Y72-W76 HydrophobicContact CD1-CE3 4.2Å; Y72-W76 AromaticContact CD1-CH2 3.68Å; Y72-W76 HydrophobicContact CD1-CH2 3.68Å; Y72-W76 AromaticContact CD1-CZ3 3.27Å; Y72-W76 HydrophobicContact CD1-CZ3 3.27Å; Y72-W76 HydrophobicContact CE1-CH2 4.24Å; Y72-W76 HydrophobicContact CE1-CZ3 4.23Å; Y72-W76 HydrophobicContact CG-CE3 4.47Å; Y72-W76 AromaticContact CG-CZ3 3.73Å; Y72-W76 HydrophobicContact CG-CZ3 3.73Å; Y72-W76 VanDerWaalsContact O-CE3 3.27Å; Y72-W76 PolarHBondContact O-N 3.17Å; W76-P107 HydrophobicContact CB-CB 4.21Å; W76-P107 HydrophobicContact CB-CG 3.84Å; W76-P107 HydrophobicContact CE3-CG 4.2Å; W76-L268 HydrophobicContact CZ2-CB 4.33Å; W76-L268 HydrophobicContact CZ2-CD2 4.24Å; W76-L268 PolarHBondContact NE1-O 2.74Å; W76-L268 VanDerWaalsContact NE1-O 3.12Å; W76-A275 HydrophobicContact CB-CB 4.3Å; W76-A275 WeakPolarHBondContact O-CB 3.27Å
77R87.8Confident85.3Confident58 Ų5839.3 Ų39.322%0.21918%0.183CC..THydrogen-bonded Turntrans-144.1-49.8175.7-62.5-173.674.2-174.52.1114.4A73 P107 Y108 Y110 A275 G276A73-R77 WeakPolarHBondContact O-CA 3.37Å; A73-R77 WeakPolarHBondContact O-CB 3.32Å; A73-R77 PolarHBondContact O-N 3.37Å; R77-P107 WeakPolarHBondContact CD-O 3.45Å; R77-P107 HydrophobicContact CG-CB 3.98Å; R77-P107 PolarHBondContact NH1-O 2.85Å; R77-Y108 HydrophobicContact CG-CE1 4.32Å; R77-Y108 HydrophobicContact CG-CE2 4.39Å; R77-Y110 PolarHBondContact NH1-O 2.54Å; R77-A275 CarbonylContact C-O 3.53Å; R77-A275 VanDerWaalsContact C-O 3.3Å; R77-A275 WeakPolarHBondContact CA-O 3.37Å; R77-G276 WeakPolarHBondContact O-CA 3.24Å
78W81.5Confident85.3Confident45 Ų4537.9 Ų37.917%0.1718%0.181CC..  trans-135.287.9-166.9-60.5-59.9000111.4A73 R74 D80 L81 L86 R112A73-W78 HydrophobicContact CB-CE3 4.27Å; A73-W78 HydrophobicContact CB-CZ3 4.4Å; A73-W78 PolarHBondContact O-N 2.96Å; R74-W78 VanDerWaalsContact CA-O 3.27Å; R74-W78 WeakPolarHBondContact CA-O 3.41Å; R74-W78 WeakPolarHBondContact CG-O 3.5Å; W78-D80 PolarHBondContact O-N 2.61Å; W78-D80 VanDerWaalsContact O-N 3.11Å; W78-L81 HydrophobicContact CB-CB 3.72Å; W78-L81 HydrophobicContact CB-CD1 4.29Å; W78-L81 HydrophobicContact CB-CG 4.46Å; W78-L81 HydrophobicContact CE3-CD1 4.15Å; W78-L81 HydrophobicContact CE3-CD2 4.3Å; W78-L81 WeakPolarHBondContact O-CB 3.42Å; W78-L81 PolarHBondContact O-N 3.4Å; W78-L86 HydrophobicContact CE3-CD2 3.84Å; W78-L86 HydrophobicContact CH2-CD2 4.41Å; W78-L86 HydrophobicContact CZ3-CD2 3.48Å; W78-L86 VanDerWaalsContact CZ3-CD2 3.48Å; W78-R112 HydrophobicContact CD2-CB 3.91Å; W78-R112 HydrophobicContact CD2-CG 4.43Å; W78-R112 HydrophobicContact CE3-CB 4.14Å; W78-R112 HydrophobicContact CH2-CB 3.75Å; W78-R112 VanDerWaalsContact CH2-N 3.32Å; W78-R112 HydrophobicContact CZ2-CB 3.51Å; W78-R112 HydrophobicContact CZ3-CB 4.07Å
79P72.4Confident84.9Confident45 Ų4538.2 Ų38.229%0.29218%0.183SC..THydrogen-bonded Turntrans-57.3-28.3-177-28.736.2000114.1R74R74-P79 WeakPolarHBondContact CG-O 3.29Å
80D68.9Low84.5Confident55 Ų5547.9 Ų47.929%0.29423%0.225SC..THydrogen-bonded Turntrans-91.14.9177.673-43000113.5W78 H82 R112 R284W78-D80 PolarHBondContact O-N 2.61Å; W78-D80 VanDerWaalsContact O-N 3.11Å; D80-H82 PolarHBondContact O-N 3.01Å; D80-R112 VanDerWaalsContact CG-NH1 3.31Å; D80-R112 IonicContact OD1-CZ 3.61Å; D80-R112 IonicContact OD1-NH1 3.77Å; D80-R112 PolarHBondContact OD1-NH1 3.06Å; D80-R112 IonicContact OD1-NH2 2.65Å; D80-R112 PolarHBondContact OD1-NH2 3.07Å; D80-R112 IonicContact OD2-CZ 2.91Å; D80-R112 IonicContact OD2-NH1 2.7Å; D80-R112 PolarHBondContact OD2-NH1 3.24Å; D80-R112 VanDerWaalsContact OD2-NH1 3.12Å; D80-R112 IonicContact OD2-NH2 3.15Å; D80-R112 PolarHBondContact OD2-NH2 2.76Å; D80-R284 IonicContact OD2-CZ 3.7Å; D80-R284 VanDerWaalsContact OD2-CZ 3.27Å; D80-R284 IonicContact OD2-NH1 2.69Å; D80-R284 PolarHBondContact OD2-NH1 2.7Å; D80-R284 IonicContact OD2-NH2 3.06Å; D80-R284 PolarHBondContact OD2-NH2 2.76Å
81L76.6Confident84.4Confident1 Ų153.7 Ų53.71%0.00525%0.247CC..  trans-59.3127.4-173.8-177.370.8000112.5V70 A73 R74 W78 E85 L86 R112V70-L81 HydrophobicContact CG1-CD2 4.1Å; V70-L81 HydrophobicContact CG1-CG 4.49Å; A73-L81 HydrophobicContact CB-CD2 3.65Å; R74-L81 HydrophobicContact CB-CB 4.37Å; R74-L81 PolarHBondContact NE-O 3.2Å; R74-L81 PolarHBondContact NH2-O 2.94Å; W78-L81 HydrophobicContact CB-CB 3.72Å; W78-L81 HydrophobicContact CB-CD1 4.29Å; W78-L81 HydrophobicContact CB-CG 4.46Å; W78-L81 HydrophobicContact CE3-CD1 4.15Å; W78-L81 HydrophobicContact CE3-CD2 4.3Å; W78-L81 WeakPolarHBondContact O-CB 3.42Å; W78-L81 PolarHBondContact O-N 3.4Å; L81-E85 HydrophobicContact CD1-CB 3.78Å; L81-L86 HydrophobicContact CD1-CD2 3.64Å; L81-L86 HydrophobicContact CD1-CG 3.99Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CD2 3.79Å; L81-L86 HydrophobicContact CD2-CG 3.79Å; L81-L86 HydrophobicContact CG-CD2 4.33Å; L81-L86 HydrophobicContact CG-CG 4.36Å; L81-R112 HydrophobicContact CD1-CG 4.07Å
82H76.1Confident84.5Confident67 Ų6753.6 Ų53.631%0.3125%0.247SC..  trans-91.9151.8169-171.4-100.5000111.7D80 N84 E85D80-H82 PolarHBondContact O-N 3.01Å; H82-N84 PolarHBondContact O-N 2.83Å; H82-E85 HydrophobicContact CB-CG 3.99Å; H82-E85 PolarHBondContact N-OE2 2.61Å; H82-E85 WeakPolarHBondContact O-CB 3.1Å; H82-E85 PolarHBondContact O-N 3.49Å; H82-E85 VanDerWaalsContact O-N 3.08Å
83K73.9Confident84.5Confident99 Ų9960.3 Ų60.343%0.4328%0.278SS..THydrogen-bonded Turntrans-58.6-24-172.254.8169-179.5-174.40115.4F67 V70F67-K83 HydrophobicContact CD2-CB 4.14Å; F67-K83 HydrophobicContact CE2-CB 4.43Å; F67-K83 HydrophobicContact CE2-CD 4.09Å; V70-K83 HydrophobicContact CG1-CB 4.42Å; V70-K83 HydrophobicContact CG2-CB 4.21Å
84N75.8Confident84.7Confident97 Ų9764.1 Ų64.152%0.51929%0.293SS..THydrogen-bonded Turntrans-1004.7-176.5-60.5-13.8000112.8H82H82-N84 PolarHBondContact O-N 2.83Å
85E78.2Confident85.1Confident34 Ų3460.8 Ų60.816%0.15928%0.281CS..SBendtrans-96.710.9-176.1-64.7-176.9124.800112.7L81 H82 R112 V113L81-E85 HydrophobicContact CD1-CB 3.78Å; H82-E85 HydrophobicContact CB-CG 3.99Å; H82-E85 PolarHBondContact N-OE2 2.61Å; H82-E85 WeakPolarHBondContact O-CB 3.1Å; H82-E85 PolarHBondContact O-N 3.49Å; H82-E85 VanDerWaalsContact O-N 3.08Å; E85-R112 HydrophobicContact CB-CG 4.14Å; E85-R112 CarbonylContact O-C 3.42Å; E85-R112 WeakPolarHBondContact O-CA 3.43Å; E85-R112 WeakPolarHBondContact O-CG 3.33Å; E85-R112 IonicContact OE1-NE 3.73Å; E85-R112 IonicContact OE1-NH2 2.76Å; E85-R112 PolarHBondContact OE1-NH2 2.88Å; E85-R112 IonicContact OE2-CZ 2.65Å; E85-R112 IonicContact OE2-NE 3.31Å; E85-R112 PolarHBondContact OE2-NE 3.26Å; E85-R112 IonicContact OE2-NH2 2.74Å; E85-R112 PolarHBondContact OE2-NH2 3.46Å; E85-V113 VanDerWaalsContact C-CG2 3.49Å; E85-V113 WeakPolarHBondContact O-CG2 3.37Å; E85-V113 PolarHBondContact O-N 2.99Å
86L85.8Confident85.2Confident20 Ų2062 Ų6211%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-110.1138.7177.9-67.4-174.4000111.5V70 A73 W78 L81 Y110 E111V70-L86 HydrophobicContact CG2-CD1 4.3Å; A73-L86 HydrophobicContact CB-CD1 3.82Å; A73-L86 HydrophobicContact CB-CD2 4.43Å; W78-L86 HydrophobicContact CE3-CD2 3.84Å; W78-L86 HydrophobicContact CH2-CD2 4.41Å; W78-L86 HydrophobicContact CZ3-CD2 3.48Å; W78-L86 VanDerWaalsContact CZ3-CD2 3.48Å; L81-L86 HydrophobicContact CD1-CD2 3.64Å; L81-L86 HydrophobicContact CD1-CG 3.99Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CD2 3.79Å; L81-L86 HydrophobicContact CD2-CG 3.79Å; L81-L86 HydrophobicContact CG-CD2 4.33Å; L81-L86 HydrophobicContact CG-CG 4.36Å; L86-Y110 HydrophobicContact CB-CD1 4.21Å; L86-Y110 HydrophobicContact CD1-CD1 4.24Å; L86-Y110 HydrophobicContact CD1-CG 4.15Å; L86-E111 WeakPolarHBondContact CA-O 3.49Å
87K87.2Confident85.3Confident125 Ų12567.1 Ų67.154%0.54331%0.314SS..EExtended strand (participates in β ladder)trans-122.3136.2164.1-177.7-179.8178.5-177.20108.6Y110 E111 V113K87-Y110 CarbonylContact O-C 3.56Å; K87-Y110 VanDerWaalsContact O-CA 3.3Å; K87-Y110 WeakPolarHBondContact O-CA 3.36Å; K87-E111 PolarHBondContact N-O 2.92Å; K87-E111 PolarHBondContact O-N 2.75Å; K87-V113 HydrophobicContact CB-CG1 3.44Å; K87-V113 VanDerWaalsContact CB-CG1 3.44Å; K87-V113 HydrophobicContact CB-CG2 4.4Å; K87-V113 HydrophobicContact CD-CG1 4.02Å; K87-V113 HydrophobicContact CG-CG1 4.39Å
88S92.8Very high85.6Confident33 Ų3369 Ų6923%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-72.3146.8176.856.50000112.1A95 H109S88-A95 WeakPolarHBondContact OG-CB 3.3Å; S88-H109 WeakPolarHBondContact CA-O 3.48Å
89S89.5Confident86Confident14 Ų1474.8 Ų74.810%0.09835%0.354CS..  trans-64149.4169.5177.60000111.6Y91 C92 H109S89-Y91 PolarHBondContact O-N 3.48Å; S89-Y91 WeakPolarHBondContact OG-CD1 3.5Å; S89-Y91 WeakPolarHBondContact OG-CE1 3.36Å; S89-C92 WeakPolarHBondContact O-CB 3.34Å; S89-C92 PolarHBondContact O-N 3.35Å; S89-C92 VanDerWaalsContact O-N 3.13Å; S89-H109 WeakPolarHBondContact CB-O 3.18Å; S89-H109 PolarHBondContact N-O 3.41Å
90K87.8Confident87.1Confident216 Ų21675.6 Ų75.694%0.93936%0.358SS*.THydrogen-bonded Turntrans-61.9-28179.5-62.6-176.5-177.9178.30113.4
91Y90.1Very high88.5Confident129 Ų12978.8 Ų78.851%0.50638%0.375SS..THydrogen-bonded Turntrans-90.50.4179.557.6-103.1000113.4S89 Q93 Y108 H109S89-Y91 PolarHBondContact O-N 3.48Å; S89-Y91 WeakPolarHBondContact OG-CD1 3.5Å; S89-Y91 WeakPolarHBondContact OG-CE1 3.36Å; Y91-Q93 PolarHBondContact O-N 3.02Å; Y91-Y108 PolarHBondContact OH-O 3.2Å; Y91-H109 AromaticContact CE2-CD2 3.87Å; Y91-H109 AromaticContact CE2-NE2 3.81Å
92C95.7Very high89.5Confident10 Ų1080.9 Ų80.97%0.06839%0.386CS..  trans-77.7111178.8-168.90000110.7S89 Y94 A95 C104 H109S89-C92 WeakPolarHBondContact O-CB 3.34Å; S89-C92 PolarHBondContact O-N 3.35Å; S89-C92 VanDerWaalsContact O-N 3.13Å; C92-Y94 VanDerWaalsContact C-N 3.29Å; C92-Y94 PolarHBondContact O-N 3.4Å; C92-A95 HydrophobicContact CB-CB 4.26Å; C92-C104 VanDerWaalsContact SG-CB 3.53Å; C92-H109 HydrophobicContact CB-CB 4.2Å; C92-H109 PolarHBondContact SG-ND1 2.9Å
93Q96Very high90.5Very high141 Ų14177.8 Ų77.866%0.65937%0.372SS*.THydrogen-bonded Turntrans-77.2-16.2-178.4-61.8178.611.200113.5Y91 L98Y91-Q93 PolarHBondContact O-N 3.02Å; Q93-L98 WeakPolarHBondContact O-CD1 3.37Å
94Y98Very high91.7Very high81 Ų8173 Ų7332%0.31835%0.351SS..THydrogen-bonded Turntrans-127.133.3-175.5-56.7-80.1000111.7C48 T50 C92 V100 L102 C104C48-Y94 HydrophobicContact CB-CD2 3.7Å; C48-Y94 HydrophobicContact CB-CE2 4.37Å; T50-Y94 HydrophobicContact CG2-CD1 4.45Å; T50-Y94 HydrophobicContact CG2-CD2 3.53Å; T50-Y94 HydrophobicContact CG2-CE2 4.12Å; T50-Y94 HydrophobicContact CG2-CG 3.71Å; C92-Y94 VanDerWaalsContact C-N 3.29Å; C92-Y94 PolarHBondContact O-N 3.4Å; Y94-V100 HydrophobicContact CD1-CG2 4.14Å; Y94-L102 HydrophobicContact CD1-CB 3.75Å; Y94-L102 HydrophobicContact CD1-CD1 4.36Å; Y94-L102 HydrophobicContact CE1-CB 4.24Å; Y94-L102 HydrophobicContact CE1-CD1 4.04Å; Y94-L102 HydrophobicContact CG-CB 4.39Å; Y94-C104 VanDerWaalsContact O-CB 3.3Å; Y94-C104 WeakPolarHBondContact O-CB 3.47Å; Y94-C104 PolarHBondContact O-N 3.22Å
95A94.5Very high92.8Very high2 Ų268.4 Ų68.42%0.01733%0.326CS..  trans-56.2147.517700000111.4S88 C92 D97 L98S88-A95 WeakPolarHBondContact OG-CB 3.3Å; C92-A95 HydrophobicContact CB-CB 4.26Å; A95-D97 VanDerWaalsContact C-N 3.25Å; A95-D97 PolarHBondContact O-N 3.37Å; A95-L98 HydrophobicContact CB-CD1 4.03Å; A95-L98 HydrophobicContact CB-CG 4.03Å; A95-L98 WeakPolarHBondContact O-CB 3.18Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-L98 VanDerWaalsContact O-N 3.11Å
96F92.9Very high93.7Very high28 Ų2866.8 Ų66.812%0.12332%0.319CS..G310 helixtrans-58.8-39.5-174.3-179.9-98000111.8R53 F67 H69 L98 K99 V103R53-F96 VanDerWaalsContact NH2-CD2 3.28Å; R53-F96 PolarHBondContact NH2-O 2.98Å; F67-F96 HydrophobicContact CD1-CE1 4.1Å; F67-F96 AromaticContact CD1-CE2 3.93Å; F67-F96 HydrophobicContact CD1-CE2 3.93Å; F67-F96 AromaticContact CD1-CZ 3.38Å; F67-F96 HydrophobicContact CD1-CZ 3.38Å; F67-F96 HydrophobicContact CE1-CE1 4.33Å; F67-F96 AromaticContact CE1-CZ 3.74Å; F67-F96 HydrophobicContact CE1-CZ 3.74Å; F67-F96 HydrophobicContact CG-CZ 4.26Å; H69-F96 AromaticContact CE1-CD1 3.26Å; H69-F96 WeakPolarHBondContact CE1-CD1 3.29Å; H69-F96 AromaticContact CE1-CD2 3.5Å; H69-F96 AromaticContact CE1-CE1 3.76Å; H69-F96 AromaticContact CE1-CE2 3.97Å; H69-F96 AromaticContact CE1-CG 3.11Å; H69-F96 WeakPolarHBondContact CE1-CG 3.48Å; H69-F96 WeakPolarHBondContact ND1-CB 3.32Å; H69-F96 AromaticContact ND1-CD1 3.92Å; H69-F96 AromaticContact ND1-CD2 3.32Å; H69-F96 VanDerWaalsContact ND1-CD2 3.32Å; H69-F96 WeakPolarHBondContact ND1-CD2 3.06Å; H69-F96 AromaticContact ND1-CG 3.27Å; H69-F96 VanDerWaalsContact ND1-CG 3.27Å; H69-F96 WeakPolarHBondContact ND1-CG 3.48Å; H69-F96 AromaticContact NE2-CD1 3.95Å; H69-F96 AromaticContact NE2-CG 3.95Å; F96-L98 PolarHBondContact O-N 3.4Å; F96-K99 PolarHBondContact O-N 3.48Å; F96-V103 HydrophobicContact CB-CG1 4.37Å; F96-V103 HydrophobicContact CD2-CG1 3.88Å; F96-V103 HydrophobicContact CD2-CG2 3.99Å
97D89.9Confident94.1Very high109 Ų10965.9 Ų65.958%0.58331%0.314SS*.G310 helixtrans-72.9-13-176.7-60.1-33.6000114.1A95 K99A95-D97 VanDerWaalsContact C-N 3.25Å; A95-D97 PolarHBondContact O-N 3.37Å; D97-K99 PolarHBondContact O-N 3.03Å
98L93.1Very high94.5Very high97 Ų9761.6 Ų61.651%0.50830%0.295SS..G310 helixtrans-69.2-16172.9-61.2176000112.4Q93 A95 F96 V100Q93-L98 WeakPolarHBondContact O-CD1 3.37Å; A95-L98 HydrophobicContact CB-CD1 4.03Å; A95-L98 HydrophobicContact CB-CG 4.03Å; A95-L98 WeakPolarHBondContact O-CB 3.18Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-L98 VanDerWaalsContact O-N 3.11Å; F96-L98 PolarHBondContact O-N 3.4Å; L98-V100 HydrophobicContact CB-CG1 4.3Å; L98-V100 HydrophobicContact CB-CG2 4.46Å; L98-V100 PolarHBondContact O-N 2.92Å; L98-V100 VanDerWaalsContact O-N 3.08Å
99K91.7Very high94.6Very high168 Ų16860.1 Ų60.173%0.7328%0.284SS*.  trans54.427.3177.1-60.8178.6-175.81780114.7F96 D97F96-K99 PolarHBondContact O-N 3.48Å; D97-K99 PolarHBondContact O-N 3.03Å
100V95.2Very high94.8Very high61 Ų6159.8 Ų59.837%0.3728%0.281SS..  trans-80.4169.2171.4-59.80000111.3R53 Y94 L98 L102R53-V100 WeakPolarHBondContact CD-O 3.42Å; R53-V100 PolarHBondContact NE-O 3.17Å; R53-V100 VanDerWaalsContact NE-O 3.14Å; Y94-V100 HydrophobicContact CD1-CG2 4.14Å; L98-V100 HydrophobicContact CB-CG1 4.3Å; L98-V100 HydrophobicContact CB-CG2 4.46Å; L98-V100 PolarHBondContact O-N 2.92Å; L98-V100 VanDerWaalsContact O-N 3.08Å; V100-L102 WeakPolarHBondContact CG2-O 3.48Å; V100-L102 PolarHBondContact O-N 3.23Å; V100-L102 VanDerWaalsContact O-N 3.17Å
101D96.9Very high94.8Very high123 Ų12355.3 Ų55.366%0.65826%0.263SS*.SBendtrans-63.3-21.1-174.3-67.7-23.9000114.4Q52 R53Q52-D101 PolarHBondContact NE2-O 3.24Å; Q52-D101 VanDerWaalsContact NE2-O 3.17Å; R53-D101 WeakPolarHBondContact CB-O 3.48Å; R53-D101 PolarHBondContact N-O 3.41Å
102L98.1Very high94.5Very high45 Ų4551.8 Ų51.824%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-111.1142.4176.7-64.8179.9000110.6I51 Y94 V100I51-L102 WeakPolarHBondContact O-CA 3.25Å; Y94-L102 HydrophobicContact CD1-CB 3.75Å; Y94-L102 HydrophobicContact CD1-CD1 4.36Å; Y94-L102 HydrophobicContact CE1-CB 4.24Å; Y94-L102 HydrophobicContact CE1-CD1 4.04Å; Y94-L102 HydrophobicContact CG-CB 4.39Å; V100-L102 WeakPolarHBondContact CG2-O 3.48Å; V100-L102 PolarHBondContact O-N 3.23Å; V100-L102 VanDerWaalsContact O-N 3.17Å
103V97.9Very high93.4Very high1 Ų153.1 Ų53.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-118.2125.5175.7172.60000109.1T50 I51 R53 P68 F96T50-V103 WeakPolarHBondContact CA-O 3.28Å; I51-V103 PolarHBondContact N-O 3.44Å; I51-V103 PolarHBondContact O-N 2.87Å; R53-V103 HydrophobicContact CB-CG2 3.99Å; R53-V103 HydrophobicContact CG-CG2 4.32Å; P68-V103 HydrophobicContact CB-CG1 4.1Å; P68-V103 HydrophobicContact CG-CG1 4.29Å; F96-V103 HydrophobicContact CB-CG1 4.37Å; F96-V103 HydrophobicContact CD2-CG1 3.88Å; F96-V103 HydrophobicContact CD2-CG2 3.99Å
104C98.5Very high91.5Very high0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-67.3135.6170.4-167.10000110.1V49 C92 Y94 H109 Y110V49-C104 CarbonylContact O-C 3.58Å; V49-C104 WeakPolarHBondContact O-CA 3.3Å; C92-C104 VanDerWaalsContact SG-CB 3.53Å; Y94-C104 VanDerWaalsContact O-CB 3.3Å; Y94-C104 WeakPolarHBondContact O-CB 3.47Å; Y94-C104 PolarHBondContact O-N 3.22Å; C104-H109 PolarHBondContact SG-ND1 3.07Å; C104-H109 VanDerWaalsContact SG-ND1 3.39Å; C104-Y110 PolarHBondContact O-OH 3.03Å
105V98.2Very high88.9Confident0 Ų049 Ų490%025%0.251CS..  trans-124.98.2176.6-63.90000112.1L20 V49 I51 P68 Y72 P107L20-V105 HydrophobicContact CD1-CG2 3.79Å; L20-V105 HydrophobicContact CD2-CG2 4.34Å; V49-V105 HydrophobicContact CB-CG2 4.26Å; V49-V105 HydrophobicContact CG1-CG2 3.85Å; V49-V105 WeakPolarHBondContact O-CG2 3.13Å; V49-V105 PolarHBondContact O-N 2.85Å; I51-V105 HydrophobicContact CD1-CG1 4.01Å; I51-V105 HydrophobicContact CG1-CG1 3.95Å; I51-V105 HydrophobicContact CG2-CG2 4.2Å; P68-V105 HydrophobicContact CB-CG1 3.68Å; Y72-V105 HydrophobicContact CD2-CB 3.49Å; Y72-V105 VanDerWaalsContact CD2-CB 3.49Å; Y72-V105 HydrophobicContact CD2-CG1 3.55Å; Y72-V105 HydrophobicContact CD2-CG2 4.16Å; Y72-V105 HydrophobicContact CE2-CB 4.14Å; Y72-V105 HydrophobicContact CE2-CG1 3.91Å; Y72-V105 HydrophobicContact CE2-CG2 4.45Å; Y72-V105 HydrophobicContact CG-CB 4.19Å; V105-P107 VanDerWaalsContact O-CD 3.29Å; V105-P107 WeakPolarHBondContact O-CD 3.27Å
106N97.4Very high86.1Confident0 Ų054.5 Ų54.50%029%0.287CS..  trans-63.8114.1171.2-174.1-25.1000108.5T46 K47 V49 Y108 H109 Y110T46-N106 PolarHBondContact OG1-ND2 2.94Å; K47-N106 PolarHBondContact O-ND2 2.78Å; K47-N106 VanDerWaalsContact O-ND2 3.07Å; V49-N106 HydrophobicContact CB-CB 4.04Å; V49-N106 HydrophobicContact CG2-CB 3.84Å; N106-Y108 PolarHBondContact O-N 3.47Å; N106-Y108 VanDerWaalsContact O-N 3.14Å; N106-Y108 PolarHBondContact OD1-N 2.74Å; N106-H109 HydrophobicContact CB-CB 4.2Å; N106-H109 VanDerWaalsContact CG-CD2 3.47Å; N106-H109 PolarHBondContact ND2-CD2 3.13Å; N106-H109 PolarHBondContact ND2-NE2 3.22Å; N106-H109 WeakPolarHBondContact O-CB 3.35Å; N106-H109 PolarHBondContact O-N 3.02Å; N106-Y110 WeakPolarHBondContact O-CD2 3.42Å
107P95.1Very high83.2Confident0 Ų055.8 Ų55.80%031%0.308CS..G310 helixtrans-66.8-18.1-173.929.6-36.8000112.8I38 A73 W76 R77 V105 H109I38-P107 HydrophobicContact CG1-CG 4.33Å; A73-P107 HydrophobicContact CB-CB 4.46Å; W76-P107 HydrophobicContact CB-CB 4.21Å; W76-P107 HydrophobicContact CB-CG 3.84Å; W76-P107 HydrophobicContact CE3-CG 4.2Å; R77-P107 WeakPolarHBondContact CD-O 3.45Å; R77-P107 HydrophobicContact CG-CB 3.98Å; R77-P107 PolarHBondContact NH1-O 2.85Å; V105-P107 VanDerWaalsContact O-CD 3.29Å; V105-P107 WeakPolarHBondContact O-CD 3.27Å; P107-H109 VanDerWaalsContact C-N 3.33Å
108Y94.5Very high80.7Confident35 Ų3553 Ų5314%0.13729%0.292CS..G310 helixtrans-91.56.7175.9-64.4-83.6000113.3A37 I38 S41 G42 R77 Y91 N106 Y110A37-Y108 HydrophobicContact CB-CD2 3.79Å; A37-Y108 HydrophobicContact CB-CG 4.49Å; A37-Y108 WeakPolarHBondContact O-CD2 3.25Å; A37-Y108 WeakPolarHBondContact O-CE2 3.42Å; I38-Y108 HydrophobicContact CG1-CE2 4.43Å; S41-Y108 VanDerWaalsContact C-CZ 3.48Å; S41-Y108 WeakPolarHBondContact CA-OH 3.33Å; S41-Y108 WeakPolarHBondContact O-CE1 3.44Å; G42-Y108 VanDerWaalsContact CA-CD1 3.42Å; R77-Y108 HydrophobicContact CG-CE1 4.32Å; R77-Y108 HydrophobicContact CG-CE2 4.39Å; Y91-Y108 PolarHBondContact OH-O 3.2Å; N106-Y108 PolarHBondContact O-N 3.47Å; N106-Y108 VanDerWaalsContact O-N 3.14Å; N106-Y108 PolarHBondContact OD1-N 2.74Å; Y108-Y110 VanDerWaalsContact C-N 3.33Å
109H96.2Very high77.5Confident3 Ų352.9 Ų52.91%0.01430%0.3CS..G310 helixtrans-95.26.3167.2-73.8-153.3000112.2T46 K47 C48 S88 S89 Y91 C92 C104 N106 P107T46-H109 PolarHBondContact O-CE1 3.3Å; T46-H109 PolarHBondContact O-NE2 3.5Å; K47-H109 VanDerWaalsContact C-CE1 3.42Å; K47-H109 PolarHBondContact O-CE1 3.44Å; K47-H109 PolarHBondContact O-NE2 3.27Å; C48-H109 VanDerWaalsContact CA-CE1 3.42Å; C48-H109 WeakPolarHBondContact CA-CE1 3.28Å; C48-H109 PolarHBondContact N-CE1 2.97Å; C48-H109 VanDerWaalsContact N-CE1 3.33Å; C48-H109 PolarHBondContact SG-CE1 3.48Å; C48-H109 PolarHBondContact SG-ND1 3.29Å; C48-H109 VanDerWaalsContact SG-ND1 3.41Å; S88-H109 WeakPolarHBondContact CA-O 3.48Å; S89-H109 WeakPolarHBondContact CB-O 3.18Å; S89-H109 PolarHBondContact N-O 3.41Å; Y91-H109 AromaticContact CE2-CD2 3.87Å; Y91-H109 AromaticContact CE2-NE2 3.81Å; C92-H109 HydrophobicContact CB-CB 4.2Å; C92-H109 PolarHBondContact SG-ND1 2.9Å; C104-H109 PolarHBondContact SG-ND1 3.07Å; C104-H109 VanDerWaalsContact SG-ND1 3.39Å; N106-H109 HydrophobicContact CB-CB 4.2Å; N106-H109 VanDerWaalsContact CG-CD2 3.47Å; N106-H109 PolarHBondContact ND2-CD2 3.13Å; N106-H109 PolarHBondContact ND2-NE2 3.22Å; N106-H109 WeakPolarHBondContact O-CB 3.35Å; N106-H109 PolarHBondContact O-N 3.02Å; P107-H109 VanDerWaalsContact C-N 3.33Å
110Y93.8Very high74.5Confident6 Ų651.9 Ų51.92%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-126.8143.7176.6-60.1-87.7000110.1H69 R77 L86 K87 C104 N106 Y108H69-Y110 HydrophobicContact CB-CD2 4.42Å; H69-Y110 HydrophobicContact CB-CE1 3.9Å; H69-Y110 HydrophobicContact CB-CE2 3.65Å; H69-Y110 VanDerWaalsContact CB-OH 3.3Å; H69-Y110 WeakPolarHBondContact CB-OH 3.39Å; H69-Y110 AromaticContact CD2-CE1 3.86Å; R77-Y110 PolarHBondContact NH1-O 2.54Å; L86-Y110 HydrophobicContact CB-CD1 4.21Å; L86-Y110 HydrophobicContact CD1-CD1 4.24Å; L86-Y110 HydrophobicContact CD1-CG 4.15Å; K87-Y110 CarbonylContact O-C 3.56Å; K87-Y110 VanDerWaalsContact O-CA 3.3Å; K87-Y110 WeakPolarHBondContact O-CA 3.36Å; C104-Y110 PolarHBondContact O-OH 3.03Å; N106-Y110 WeakPolarHBondContact O-CD2 3.42Å; Y108-Y110 VanDerWaalsContact C-N 3.33Å
111E87.2Confident71.5Confident123 Ų12356 Ų5658%0.57532%0.321SS*.EExtended strand (participates in β ladder)trans-108.4137.9169.4-70177.7175.700108.3L86 K87 V113L86-E111 WeakPolarHBondContact CA-O 3.49Å; K87-E111 PolarHBondContact N-O 2.92Å; K87-E111 PolarHBondContact O-N 2.75Å; E111-V113 PolarHBondContact O-N 3.04Å; E111-V113 VanDerWaalsContact O-N 3.13Å
112R82.7Confident68.3Low54 Ų5451.2 Ų51.220%0.20430%0.301CS..EExtended strand (participates in β ladder)trans-74.9106.8173.2-171175.2-174.3175.82.9108.1W78 D80 L81 E85 V114W78-R112 HydrophobicContact CD2-CB 3.91Å; W78-R112 HydrophobicContact CD2-CG 4.43Å; W78-R112 HydrophobicContact CE3-CB 4.14Å; W78-R112 HydrophobicContact CH2-CB 3.75Å; W78-R112 VanDerWaalsContact CH2-N 3.32Å; W78-R112 HydrophobicContact CZ2-CB 3.51Å; W78-R112 HydrophobicContact CZ3-CB 4.07Å; D80-R112 VanDerWaalsContact CG-NH1 3.31Å; D80-R112 IonicContact OD1-CZ 3.61Å; D80-R112 IonicContact OD1-NH1 3.77Å; D80-R112 PolarHBondContact OD1-NH1 3.06Å; D80-R112 IonicContact OD1-NH2 2.65Å; D80-R112 PolarHBondContact OD1-NH2 3.07Å; D80-R112 IonicContact OD2-CZ 2.91Å; D80-R112 IonicContact OD2-NH1 2.7Å; D80-R112 PolarHBondContact OD2-NH1 3.24Å; D80-R112 VanDerWaalsContact OD2-NH1 3.12Å; D80-R112 IonicContact OD2-NH2 3.15Å; D80-R112 PolarHBondContact OD2-NH2 2.76Å; L81-R112 HydrophobicContact CD1-CG 4.07Å; E85-R112 HydrophobicContact CB-CG 4.14Å; E85-R112 CarbonylContact O-C 3.42Å; E85-R112 WeakPolarHBondContact O-CA 3.43Å; E85-R112 WeakPolarHBondContact O-CG 3.33Å; E85-R112 IonicContact OE1-NE 3.73Å; E85-R112 IonicContact OE1-NH2 2.76Å; E85-R112 PolarHBondContact OE1-NH2 2.88Å; E85-R112 IonicContact OE2-CZ 2.65Å; E85-R112 IonicContact OE2-NE 3.31Å; E85-R112 PolarHBondContact OE2-NE 3.26Å; E85-R112 IonicContact OE2-NH2 2.74Å; E85-R112 PolarHBondContact OE2-NH2 3.46Å; R112-V114 PolarHBondContact O-N 3.49Å
113V74Confident65.1Low39 Ų3956.5 Ų56.524%0.23632%0.323CS..  trans-77.7121.1169.1-69.90000108.3E85 K87 E111 S115E85-V113 VanDerWaalsContact C-CG2 3.49Å; E85-V113 WeakPolarHBondContact O-CG2 3.37Å; E85-V113 PolarHBondContact O-N 2.99Å; K87-V113 HydrophobicContact CB-CG1 3.44Å; K87-V113 VanDerWaalsContact CB-CG1 3.44Å; K87-V113 HydrophobicContact CB-CG2 4.4Å; K87-V113 HydrophobicContact CD-CG1 4.02Å; K87-V113 HydrophobicContact CG-CG1 4.39Å; E111-V113 PolarHBondContact O-N 3.04Å; E111-V113 VanDerWaalsContact O-N 3.13Å; V113-S115 PolarHBondContact O-N 3.25Å
114V55.6Low62.2Low94 Ų9459.3 Ų59.357%0.5735%0.346SS*.  trans-69.6110.4157.8-178.40000104.7R112 I118R112-V114 PolarHBondContact O-N 3.49Å; V114-I118 HydrophobicContact CG1-CB 3.8Å; V114-I118 HydrophobicContact CG1-CD1 3.41Å; V114-I118 VanDerWaalsContact CG1-CD1 3.41Å; V114-I118 HydrophobicContact CG1-CG1 4.16Å; V114-I118 HydrophobicContact CG1-CG2 3.4Å; V114-I118 VanDerWaalsContact CG1-CG2 3.4Å
115S43.1Very low59.4Low40 Ų4066.1 Ų66.128%0.2838%0.376SS..  trans-34.4123.6-176.7-62.50000111.9V113 G117 I118V113-S115 PolarHBondContact O-N 3.25Å; S115-G117 PolarHBondContact O-N 3.15Å; S115-I118 WeakPolarHBondContact O-CB 3.46Å; S115-I118 WeakPolarHBondContact O-CD1 3.46Å; S115-I118 WeakPolarHBondContact O-CG1 3.47Å; S115-I118 PolarHBondContact O-N 3.21Å
116P36.7Very low56.8Low118 Ų11871.2 Ų71.277%0.76641%0.411SS*.THydrogen-bonded Turntrans-65.10.9-174.1-21.431.6000115.7I118P116-I118 PolarHBondContact O-N 2.92Å
117G32.3Very low54.5Low55 Ų5575.1 Ų75.157%0.56743%0.431SS*.Hα-helixtrans-59.4-7.615900000113.4S115S115-G117 PolarHBondContact O-N 3.15Å
118I35.7Very low52.6Low50 Ų5080.2 Ų80.226%0.25646%0.463SS..Hα-helixtrans-101.43.9-161.6-64.3168.4000114.5V114 S115 P116 K306V114-I118 HydrophobicContact CG1-CB 3.8Å; V114-I118 HydrophobicContact CG1-CD1 3.41Å; V114-I118 VanDerWaalsContact CG1-CD1 3.41Å; V114-I118 HydrophobicContact CG1-CG1 4.16Å; V114-I118 HydrophobicContact CG1-CG2 3.4Å; V114-I118 VanDerWaalsContact CG1-CG2 3.4Å; S115-I118 WeakPolarHBondContact O-CB 3.46Å; S115-I118 WeakPolarHBondContact O-CD1 3.46Å; S115-I118 WeakPolarHBondContact O-CG1 3.47Å; S115-I118 PolarHBondContact O-N 3.21Å; P116-I118 PolarHBondContact O-N 2.92Å; I118-K306 HydrophobicContact CD1-CD 4.19Å; I118-K306 HydrophobicContact CG1-CD 3.97Å; I118-K306 VanDerWaalsContact CG2-NZ 3.32Å
119S27.2Very low50.7Low95 Ų9582.1 Ų82.166%0.66447%0.472SS*.Hα-helixtrans-125.3-27.1170.7-56.70000115.4
120N28.1Very low49.1Very low147 Ų14789.4 Ų89.479%0.78650%0.503SS*.Hα-helixtrans-115.6-4.7-173.6-70.9-11.4000116.1
121L32.3Very low47.3Very low147 Ų14791.2 Ų91.277%0.7752%0.515SS*.SBendtrans-114.981.8170.2-140.578.6000110.5
122G29.8Very low46Very low23 Ų2387.9 Ų87.924%0.23751%0.505CS..  trans80.3101.5-175.100000110.2A124G122-A124 VanDerWaalsContact CA-N 3.33Å; G122-A124 PolarHBondContact O-N 2.76Å
123K30.6Very low45Very low157 Ų15791.1 Ų91.168%0.68354%0.535SS*.  -10.162.781.6-73-178.7-179.1174.30112.1F125K123-F125 HydrophobicContact CB-CD2 4.47Å; K123-F125 PolarHBondContact O-N 3.4Å
124A37.7Very low44.6Very low59 Ų5994.4 Ų94.449%0.48856%0.555SS.*  trans-56.796.8144.500000101.8G122 S126G122-A124 VanDerWaalsContact CA-N 3.33Å; G122-A124 PolarHBondContact O-N 2.76Å; A124-S126 PolarHBondContact O-N 2.88Å
125F39.2Very low45.2Very low144 Ų14493 Ų9363%0.63254%0.542SS*.  trans-49.7102.5167.4-97.4-100000103.7K123 L127K123-F125 HydrophobicContact CB-CD2 4.47Å; K123-F125 PolarHBondContact O-N 3.4Å; F125-L127 HydrophobicContact CB-CD1 4.46Å; F125-L127 HydrophobicContact CB-CG 4.1Å; F125-L127 HydrophobicContact CD1-CD2 4.47Å; F125-L127 PolarHBondContact O-N 3.02Å
126S43.2Very low47Very low107 Ų10794.9 Ų94.975%0.74855%0.554SS**  trans-72.582.3173.4-176.10000104.1A124 T128A124-S126 PolarHBondContact O-N 2.88Å; S126-T128 VanDerWaalsContact C-N 3.32Å; S126-T128 PolarHBondContact O-N 3.32Å
127L50Low49.4Very low81 Ų8190.5 Ų90.542%0.42453%0.526SS..  trans-71100.4173.1-70167.9000104.6F125 F129 L157F125-L127 HydrophobicContact CB-CD1 4.46Å; F125-L127 HydrophobicContact CB-CG 4.1Å; F125-L127 HydrophobicContact CD1-CD2 4.47Å; F125-L127 PolarHBondContact O-N 3.02Å; L127-F129 PolarHBondContact O-N 3.42Å; L127-L157 HydrophobicContact CB-CD2 4.36Å; L127-L157 HydrophobicContact CD1-CB 3.9Å; L127-L157 HydrophobicContact CD1-CD1 4.15Å; L127-L157 HydrophobicContact CD1-CD2 3.29Å; L127-L157 HydrophobicContact CD1-CG 3.92Å; L127-L157 HydrophobicContact CG-CD2 4.41Å
128T55.2Low52.1Low107 Ų10788.8 Ų88.866%0.65650%0.504SS*.  trans-72.9112.5177.6-590000107.4S126 K130S126-T128 VanDerWaalsContact C-N 3.32Å; S126-T128 PolarHBondContact O-N 3.32Å; T128-K130 HydrophobicContact CG2-CG 4.11Å
129F55Low54.7Low75 Ų7587.2 Ų87.233%0.32950%0.497SS..  trans-97.2119.1170.5-175.6-106.7000108.6L127 T131 V138 G148 V149 F152L127-F129 PolarHBondContact O-N 3.42Å; F129-T131 HydrophobicContact CD1-CG2 3.61Å; F129-T131 HydrophobicContact CE1-CG2 3.15Å; F129-T131 HydrophobicContact CZ-CG2 4.04Å; F129-V138 HydrophobicContact CE1-CG1 4.21Å; F129-G148 WeakPolarHBondContact CZ-O 3.39Å; F129-V149 VanDerWaalsContact CZ-O 3.27Å; F129-V149 WeakPolarHBondContact CZ-O 3.11Å; F129-F152 HydrophobicContact CB-CD1 4.47Å; F129-F152 HydrophobicContact CB-CD2 3.78Å; F129-F152 HydrophobicContact CB-CE2 3.99Å; F129-F152 HydrophobicContact CB-CG 4.05Å; F129-F152 HydrophobicContact CB-CZ 4.41Å; F129-F152 HydrophobicContact CD1-CB 3.79Å; F129-F152 HydrophobicContact CD1-CD2 4.38Å; F129-F152 HydrophobicContact CD1-CG 4.17Å; F129-F152 HydrophobicContact CD2-CB 4.41Å; F129-F152 AromaticContact CD2-CD2 3.77Å; F129-F152 HydrophobicContact CD2-CD2 3.77Å; F129-F152 HydrophobicContact CD2-CE2 4.45Å; F129-F152 HydrophobicContact CD2-CG 4.36Å; F129-F152 HydrophobicContact CE1-CB 3.92Å; F129-F152 HydrophobicContact CE2-CD2 4.44Å; F129-F152 HydrophobicContact CG-CB 4.03Å; F129-F152 AromaticContact CG-CD2 3.74Å; F129-F152 HydrophobicContact CG-CD2 3.74Å; F129-F152 HydrophobicContact CG-CE2 4.4Å; F129-F152 AromaticContact CG-CG 3.96Å; F129-F152 HydrophobicContact CG-CG 3.96Å; F129-F152 HydrophobicContact CZ-CB 4.33Å
130K62Low57.8Low156 Ų15683.1 Ų83.168%0.67847%0.468SS*.  trans-104126.8177.3-67.4-174.1-179.5179.10109.2T128T128-K130 HydrophobicContact CG2-CG 4.11Å
131T55.4Low60.7Low44 Ų4476.3 Ų76.327%0.2743%0.432SS..  trans-105.3128.1175.949.80000109.3F129 V138F129-T131 HydrophobicContact CD1-CG2 3.61Å; F129-T131 HydrophobicContact CE1-CG2 3.15Å; F129-T131 HydrophobicContact CZ-CG2 4.04Å; T131-V138 HydrophobicContact CG2-CB 4.25Å; T131-V138 HydrophobicContact CG2-CG1 3.74Å; T131-V138 HydrophobicContact CG2-CG2 3.47Å; T131-V138 VanDerWaalsContact CG2-CG2 3.47Å
132P59.6Low63.3Low54 Ų5470 Ų7035%0.35140%0.403SS..  trans-57.9144175-23.133.6000111.3T134 H135 V149P132-T134 WeakPolarHBondContact CB-OG1 3.32Å; P132-T134 PolarHBondContact O-N 2.95Å; P132-T134 VanDerWaalsContact O-N 3.08Å; P132-H135 PolarHBondContact O-N 3.37Å; P132-V149 HydrophobicContact CG-CG1 3.71Å
133S62.8Low65.9Low121 Ų12173.8 Ų73.885%0.84641%0.411SS*.THydrogen-bonded Turntrans-61.2-16.6175.1530000113.6H135S133-H135 PolarHBondContact O-N 3.39Å
134T64.8Low67.9Low108 Ų10871.4 Ų71.466%0.66341%0.409SS*.THydrogen-bonded Turntrans-67.3-17.6174.556.60000113.2P132 P136P132-T134 WeakPolarHBondContact CB-OG1 3.32Å; P132-T134 PolarHBondContact O-N 2.95Å; P132-T134 VanDerWaalsContact O-N 3.08Å; T134-P136 WeakPolarHBondContact O-CD 3.43Å
135H68.3Low69.4Low64 Ų6471.4 Ų71.430%0.29640%0.401SS..  trans-104.6107178.5-66.573000109.8P132 S133 S137 N150P132-H135 PolarHBondContact O-N 3.37Å; S133-H135 PolarHBondContact O-N 3.39Å; H135-S137 PolarHBondContact O-N 3.31Å; H135-S137 VanDerWaalsContact O-N 3.16Å; H135-N150 HydrophobicContact CB-CB 4.12Å
136P81.5Confident70.5Confident81 Ų8169.7 Ų69.753%0.52640%0.404SS..SBendtrans-76.21.5-178.832.9-36.9000112.6T134 D180 L181T134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-D180 CarbonylContact O-C 3.54Å; P136-D180 WeakPolarHBondContact O-CA 3.25Å; P136-L181 PolarHBondContact O-N 2.99Å
137S87Confident71.2Confident25 Ų2569.2 Ų69.218%0.17540%0.401CS..EExtended strand (participates in β ladder)trans-140.2142.9177.762.60000111.4H135 N150 L179 D180H135-S137 PolarHBondContact O-N 3.31Å; H135-S137 VanDerWaalsContact O-N 3.16Å; S137-N150 WeakPolarHBondContact O-CB 3.16Å; S137-L179 CarbonylContact C-O 3.57Å; S137-L179 VanDerWaalsContact CA-O 3.23Å; S137-L179 WeakPolarHBondContact CA-O 3.49Å; S137-D180 WeakPolarHBondContact CB-OD1 3.39Å
138V89.5Confident71.9Confident19 Ų1966.1 Ų66.112%0.11539%0.389CS..EExtended strand (participates in β ladder)trans-132.2129.4179.7-179.50000108.9F129 T131 N150 R178 L179F129-V138 HydrophobicContact CE1-CG1 4.21Å; T131-V138 HydrophobicContact CG2-CB 4.25Å; T131-V138 HydrophobicContact CG2-CG1 3.74Å; T131-V138 HydrophobicContact CG2-CG2 3.47Å; T131-V138 VanDerWaalsContact CG2-CG2 3.47Å; V138-N150 CarbonylContact C-O 3.54Å; V138-N150 VanDerWaalsContact CA-O 3.29Å; V138-N150 WeakPolarHBondContact CA-O 3.42Å; V138-R178 CarbonylContact O-C 3.53Å; V138-R178 WeakPolarHBondContact O-CA 3.22Å; V138-L179 PolarHBondContact N-O 3.49Å; V138-L179 PolarHBondContact O-N 3.11Å
139T90.6Very high72.7Confident17 Ų1765 Ų6510%0.10438%0.381CS..EExtended strand (participates in β ladder)trans-103.6134.3175.3-69.40000110D141 N150 R151 F152 V177T139-D141 HydrophobicContact CG2-CB 4.18Å; T139-N150 PolarHBondContact N-O 3.29Å; T139-R151 HydrophobicContact CG2-CG 4.43Å; T139-R151 CarbonylContact O-C 3.54Å; T139-R151 WeakPolarHBondContact O-CA 3.42Å; T139-F152 PolarHBondContact O-N 2.9Å; T139-V177 CarbonylContact C-O 3.55Å; T139-V177 WeakPolarHBondContact CA-O 3.36Å
140V91Very high73.8Confident9 Ų963.8 Ų63.86%0.05538%0.378CS..EExtended strand (participates in β ladder)trans-118.6116.3170.3-176.60000107.8F152 L154 G176 V177 F292 V312V140-F152 WeakPolarHBondContact CA-O 3.45Å; V140-F152 HydrophobicContact CG1-CD1 4Å; V140-F152 HydrophobicContact CG2-CB 4.29Å; V140-F152 HydrophobicContact CG2-CD1 4.41Å; V140-L154 HydrophobicContact CG1-CD1 3.81Å; V140-L154 HydrophobicContact CG1-CD2 4.06Å; V140-L154 HydrophobicContact CG1-CG 3.86Å; V140-G176 CarbonylContact O-C 3.56Å; V140-G176 VanDerWaalsContact O-CA 3.32Å; V140-G176 WeakPolarHBondContact O-CA 3.28Å; V140-V177 HydrophobicContact CB-CG2 4Å; V140-V177 PolarHBondContact N-O 3.34Å; V140-V177 PolarHBondContact O-N 3.24Å; V140-F292 HydrophobicContact CB-CZ 4.2Å; V140-F292 HydrophobicContact CG1-CE2 4.25Å; V140-F292 HydrophobicContact CG1-CZ 3.65Å; V140-V312 HydrophobicContact CG1-CG1 4.34Å
141D90.1Very high74.8Confident4 Ų459.6 Ų59.62%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-136.1173.5-171.773.440.5000113.3T139 Y143 R151 F152 C153 L154 R175T139-D141 HydrophobicContact CG2-CB 4.18Å; D141-Y143 HydrophobicContact CB-CD2 4.07Å; D141-Y143 VanDerWaalsContact CG-CD2 3.48Å; D141-Y143 WeakPolarHBondContact OD1-CB 3.27Å; D141-Y143 PolarHBondContact OD1-N 3.42Å; D141-R151 IonicContact OD1-NH2 2.98Å; D141-R151 IonicContact OD2-CZ 2.87Å; D141-R151 IonicContact OD2-NE 3.94Å; D141-R151 PolarHBondContact OD2-NE 2.75Å; D141-R151 IonicContact OD2-NH2 3.34Å; D141-R151 PolarHBondContact OD2-NH2 2.75Å; D141-F152 PolarHBondContact N-O 3.33Å; D141-C153 PolarHBondContact OD1-SG 3.29Å; D141-L154 VanDerWaalsContact O-CB 3.27Å; D141-L154 WeakPolarHBondContact O-CB 3.28Å; D141-L154 WeakPolarHBondContact O-CG 3.44Å; D141-L154 PolarHBondContact O-N 3.34Å; D141-R175 WeakPolarHBondContact CB-O 3.3Å
142G85.3Confident76.2Confident16 Ų1659 Ų5917%0.16535%0.352CS..SBendtrans-89.60.6-178.200000114.8G174G142-G174 PolarHBondContact N-O 2.76Å
143Y85.1Confident77.2Confident102 Ų10256.7 Ų56.740%0.434%0.337SS..SBendtrans-78.6-177.8-175.7-58.1-59.1000111.5D141 C153 G155 R175D141-Y143 HydrophobicContact CB-CD2 4.07Å; D141-Y143 VanDerWaalsContact CG-CD2 3.48Å; D141-Y143 WeakPolarHBondContact OD1-CB 3.27Å; D141-Y143 PolarHBondContact OD1-N 3.42Å; Y143-C153 VanDerWaalsContact O-CB 3.24Å; Y143-C153 WeakPolarHBondContact O-CB 3.46Å; Y143-G155 WeakPolarHBondContact O-CA 3.45Å; Y143-G155 PolarHBondContact O-N 2.67Å; Y143-R175 HydrophobicContact CE2-CB 4.49Å; Y143-R175 HydrophobicContact CE2-CG 3.99Å; Y143-R175 WeakPolarHBondContact OH-CG 3.45Å
144V73.7Confident78Confident107 Ų10751.2 Ų51.265%0.64830%0.298SS*.  trans-117.512.1-170.4-63.20000113.6P146V144-P146 VanDerWaalsContact O-CD 3.27Å; V144-P146 WeakPolarHBondContact O-CD 3.21Å
145D68.3Low78.3Confident59 Ų5946.9 Ų46.932%0.31628%0.275SS..  trans-87.7109.6-175.8176.616.6000111.5S147 R151 C153D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CB 3.27Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 3.37Å; D145-R151 IonicContact OD2-NH1 3.76Å; D145-R151 PolarHBondContact OD2-NH1 3.08Å; D145-C153 WeakPolarHBondContact O-CB 3.26Å; D145-C153 PolarHBondContact O-SG 3.21Å
146P62.3Low78.2Confident107 Ų10746.2 Ų46.270%0.69528%0.281SS*.  trans-78.3-3.2-177.734-36.1000113.7V144 G148V144-P146 VanDerWaalsContact O-CD 3.27Å; V144-P146 WeakPolarHBondContact O-CD 3.21Å; P146-G148 VanDerWaalsContact C-N 3.33Å; P146-G148 PolarHBondContact O-N 3.47Å
147S58.4Low77.6Confident97 Ų9744.5 Ų44.568%0.67827%0.267SS*.  trans-81.2-2.8-159.6-43.80000115.4D145D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CB 3.27Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 3.37Å
148G64.1Low76.2Confident17 Ų1748.2 Ų48.218%0.17529%0.293CS..  trans-100.5118.3-171.700000114.3F129 P146 N150 R151F129-G148 WeakPolarHBondContact CZ-O 3.39Å; P146-G148 VanDerWaalsContact C-N 3.33Å; P146-G148 PolarHBondContact O-N 3.47Å; G148-N150 PolarHBondContact O-N 3.31Å; G148-R151 PolarHBondContact O-N 2.93Å; G148-R151 VanDerWaalsContact O-O 3.04Å
149V71.1Confident74.7Confident82 Ų8250 Ų5050%0.49730%0.302SS..THydrogen-bonded Turntrans-57.9-29.7173.4178.50000112.5F129 P132F129-V149 VanDerWaalsContact CZ-O 3.27Å; F129-V149 WeakPolarHBondContact CZ-O 3.11Å; P132-V149 HydrophobicContact CG-CG1 3.71Å
150N78.6Confident72.9Confident51 Ų5155.6 Ų55.627%0.27334%0.336SS..THydrogen-bonded Turntrans-114.616.2178.168.8-23.3000112.9H135 S137 V138 T139 G148H135-N150 HydrophobicContact CB-CB 4.12Å; S137-N150 WeakPolarHBondContact O-CB 3.16Å; V138-N150 CarbonylContact C-O 3.54Å; V138-N150 VanDerWaalsContact CA-O 3.29Å; V138-N150 WeakPolarHBondContact CA-O 3.42Å; T139-N150 PolarHBondContact N-O 3.29Å; G148-N150 PolarHBondContact O-N 3.31Å
151R83.4Confident71.4Confident68 Ų6860.4 Ų60.426%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-132.1113.3-175.5-171.4-173.4178.5-156-2.9110.5T139 D141 D145 G148T139-R151 HydrophobicContact CG2-CG 4.43Å; T139-R151 CarbonylContact O-C 3.54Å; T139-R151 WeakPolarHBondContact O-CA 3.42Å; D141-R151 IonicContact OD1-NH2 2.98Å; D141-R151 IonicContact OD2-CZ 2.87Å; D141-R151 IonicContact OD2-NE 3.94Å; D141-R151 PolarHBondContact OD2-NE 2.75Å; D141-R151 IonicContact OD2-NH2 3.34Å; D141-R151 PolarHBondContact OD2-NH2 2.75Å; D145-R151 IonicContact OD2-NH1 3.76Å; D145-R151 PolarHBondContact OD2-NH1 3.08Å; G148-R151 PolarHBondContact O-N 2.93Å; G148-R151 VanDerWaalsContact O-O 3.04Å
152F84.1Confident70.2Confident31 Ų3163.2 Ų63.214%0.13637%0.368CS..EExtended strand (participates in β ladder)trans-102.199.6179.2-172.5-133.4000110.9F129 T139 V140 D141 L154 L157 V312F129-F152 HydrophobicContact CB-CD1 4.47Å; F129-F152 HydrophobicContact CB-CD2 3.78Å; F129-F152 HydrophobicContact CB-CE2 3.99Å; F129-F152 HydrophobicContact CB-CG 4.05Å; F129-F152 HydrophobicContact CB-CZ 4.41Å; F129-F152 HydrophobicContact CD1-CB 3.79Å; F129-F152 HydrophobicContact CD1-CD2 4.38Å; F129-F152 HydrophobicContact CD1-CG 4.17Å; F129-F152 HydrophobicContact CD2-CB 4.41Å; F129-F152 AromaticContact CD2-CD2 3.77Å; F129-F152 HydrophobicContact CD2-CD2 3.77Å; F129-F152 HydrophobicContact CD2-CE2 4.45Å; F129-F152 HydrophobicContact CD2-CG 4.36Å; F129-F152 HydrophobicContact CE1-CB 3.92Å; F129-F152 HydrophobicContact CE2-CD2 4.44Å; F129-F152 HydrophobicContact CG-CB 4.03Å; F129-F152 AromaticContact CG-CD2 3.74Å; F129-F152 HydrophobicContact CG-CD2 3.74Å; F129-F152 HydrophobicContact CG-CE2 4.4Å; F129-F152 AromaticContact CG-CG 3.96Å; F129-F152 HydrophobicContact CG-CG 3.96Å; F129-F152 HydrophobicContact CZ-CB 4.33Å; T139-F152 PolarHBondContact O-N 2.9Å; V140-F152 WeakPolarHBondContact CA-O 3.45Å; V140-F152 HydrophobicContact CG1-CD1 4Å; V140-F152 HydrophobicContact CG2-CB 4.29Å; V140-F152 HydrophobicContact CG2-CD1 4.41Å; D141-F152 PolarHBondContact N-O 3.33Å; F152-L154 HydrophobicContact CD1-CD2 3.87Å; F152-L154 HydrophobicContact CE1-CD2 3.51Å; F152-L154 HydrophobicContact CZ-CD2 4.2Å; F152-L154 PolarHBondContact O-N 3.03Å; F152-L157 HydrophobicContact CE1-CD1 4.38Å; F152-L157 HydrophobicContact CE2-CD1 4.27Å; F152-L157 HydrophobicContact CE2-CD2 3.78Å; F152-L157 HydrophobicContact CZ-CD1 3.69Å; F152-L157 HydrophobicContact CZ-CD2 4.01Å; F152-L157 HydrophobicContact CZ-CG 4.42Å; F152-V312 HydrophobicContact CE1-CG1 4.47Å
153C81.5Confident69.6Low6 Ų665.8 Ų65.84%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-85.4104.8179.3-77.80000111D141 Y143 D145 G155 A156D141-C153 PolarHBondContact OD1-SG 3.29Å; Y143-C153 VanDerWaalsContact O-CB 3.24Å; Y143-C153 WeakPolarHBondContact O-CB 3.46Å; D145-C153 WeakPolarHBondContact O-CB 3.26Å; D145-C153 PolarHBondContact O-SG 3.21Å; C153-G155 PolarHBondContact O-N 3.46Å; C153-A156 PolarHBondContact O-N 3.05Å
154L79.8Confident69.1Low5 Ų566.9 Ų66.93%0.02639%0.389CS..G310 helixtrans-64.3-28.2-178.7-62172.8000112V140 D141 F152 A156 L157 R170 I173 F292 V312V140-L154 HydrophobicContact CG1-CD1 3.81Å; V140-L154 HydrophobicContact CG1-CD2 4.06Å; V140-L154 HydrophobicContact CG1-CG 3.86Å; D141-L154 VanDerWaalsContact O-CB 3.27Å; D141-L154 WeakPolarHBondContact O-CB 3.28Å; D141-L154 WeakPolarHBondContact O-CG 3.44Å; D141-L154 PolarHBondContact O-N 3.34Å; F152-L154 HydrophobicContact CD1-CD2 3.87Å; F152-L154 HydrophobicContact CE1-CD2 3.51Å; F152-L154 HydrophobicContact CZ-CD2 4.2Å; F152-L154 PolarHBondContact O-N 3.03Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.32Å; L154-L157 HydrophobicContact CD2-CD1 3.99Å; L154-L157 WeakPolarHBondContact O-CG 3.47Å; L154-L157 PolarHBondContact O-N 2.87Å; L154-R170 PolarHBondContact O-NH1 3.1Å; L154-R170 PolarHBondContact O-NH2 3.2Å; L154-I173 HydrophobicContact CD1-CD1 3.78Å; L154-F292 HydrophobicContact CD1-CD2 3.98Å; L154-F292 HydrophobicContact CD1-CE2 3.62Å; L154-F292 HydrophobicContact CD1-CZ 4.04Å; L154-V312 HydrophobicContact CD2-CG1 3.93Å
155G71.7Confident69.3Low17 Ų1766.5 Ų66.518%0.17539%0.387CS..G310 helixtrans-59.5-33177.800000113.6Y143 C153 L157 R170Y143-G155 WeakPolarHBondContact O-CA 3.45Å; Y143-G155 PolarHBondContact O-N 2.67Å; C153-G155 PolarHBondContact O-N 3.46Å; G155-L157 VanDerWaalsContact C-N 3.33Å; G155-L157 PolarHBondContact O-N 3.4Å; G155-R170 PolarHBondContact O-NH2 3.08Å
156A66.2Low69.6Low51 Ų5164.7 Ų64.742%0.42138%0.379SS..G310 helixtrans-74.8-21.5-179.100000113.5C153 L154 S158C153-A156 PolarHBondContact O-N 3.05Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.32Å; A156-S158 PolarHBondContact O-N 2.73Å
157L67.9Low70.2Confident44 Ų4464.4 Ų64.423%0.2337%0.368CS..  trans-69.5125.1-179-45.5175.8000108.8L127 F152 L154 G155 R162 R170L127-L157 HydrophobicContact CB-CD2 4.36Å; L127-L157 HydrophobicContact CD1-CB 3.9Å; L127-L157 HydrophobicContact CD1-CD1 4.15Å; L127-L157 HydrophobicContact CD1-CD2 3.29Å; L127-L157 HydrophobicContact CD1-CG 3.92Å; L127-L157 HydrophobicContact CG-CD2 4.41Å; F152-L157 HydrophobicContact CE1-CD1 4.38Å; F152-L157 HydrophobicContact CE2-CD1 4.27Å; F152-L157 HydrophobicContact CE2-CD2 3.78Å; F152-L157 HydrophobicContact CZ-CD1 3.69Å; F152-L157 HydrophobicContact CZ-CD2 4.01Å; F152-L157 HydrophobicContact CZ-CG 4.42Å; L154-L157 HydrophobicContact CD2-CD1 3.99Å; L154-L157 WeakPolarHBondContact O-CG 3.47Å; L154-L157 PolarHBondContact O-N 2.87Å; G155-L157 VanDerWaalsContact C-N 3.33Å; G155-L157 PolarHBondContact O-N 3.4Å; L157-R162 PolarHBondContact O-NH2 3.36Å; L157-R170 PolarHBondContact O-NH2 3.41Å
158S57.1Low71.2Confident104 Ų10465.2 Ų65.273%0.72736%0.36SS*.  trans-85.8136.2169.956.30000110.4A156A156-S158 PolarHBondContact O-N 2.73Å
159N59.1Low72Confident57 Ų5764.7 Ų64.731%0.30535%0.353SS..  trans-139.9113.6172-179.60.2000109.1H161 R162N159-H161 PolarHBondContact O-N 3.05Å; N159-H161 PolarHBondContact OD1-N 2.84Å; N159-R162 HydrophobicContact CB-CB 4.28Å; N159-R162 WeakPolarHBondContact O-CB 3.45Å; N159-R162 PolarHBondContact O-N 2.94Å; N159-R162 VanDerWaalsContact O-N 3.13Å
160V52.6Low72.4Confident134 Ų13462.4 Ų62.481%0.81234%0.336SS*.THydrogen-bonded Turntrans-66.3-23-179.9-64.30000113.2R162V160-R162 VanDerWaalsContact C-N 3.28Å
161H59.7Low72.7Confident109 Ų10966.8 Ų66.851%0.50536%0.358SS..THydrogen-bonded Turntrans-91.915.2176.1-59.9-63.7000112.5N159 T163N159-H161 PolarHBondContact O-N 3.05Å; N159-H161 PolarHBondContact OD1-N 2.84Å; H161-T163 PolarHBondContact O-N 2.84Å
162R65Low73.1Confident63 Ų6367.2 Ų67.224%0.23836%0.363CS..  trans-68.5130.2-178.1-173.2174.4-62159.48.8110.6L157 N159 V160 E167 R170L157-R162 PolarHBondContact O-NH2 3.36Å; N159-R162 HydrophobicContact CB-CB 4.28Å; N159-R162 WeakPolarHBondContact O-CB 3.45Å; N159-R162 PolarHBondContact O-N 2.94Å; N159-R162 VanDerWaalsContact O-N 3.13Å; V160-R162 VanDerWaalsContact C-N 3.28Å; R162-E167 HydrophobicContact CG-CG 3.84Å; R162-R170 VanDerWaalsContact NH1-CZ 3.27Å; R162-R170 VanDerWaalsContact NH1-NH2 3.11Å; R162-R170 VanDerWaalsContact NH2-CZ 3.31Å
163T72.9Confident73.4Confident71 Ų7165.7 Ų65.744%0.43636%0.357SS..  trans-90.7156.3173.661.70000111.1H161 V165 S166 E167H161-T163 PolarHBondContact O-N 2.84Å; T163-V165 PolarHBondContact O-N 2.65Å; T163-S166 WeakPolarHBondContact O-CA 3.46Å; T163-S166 VanDerWaalsContact O-CB 3.29Å; T163-S166 WeakPolarHBondContact O-CB 3.23Å; T163-S166 PolarHBondContact O-N 3.07Å; T163-S166 PolarHBondContact OG1-N 3.26Å; T163-S166 PolarHBondContact OG1-OG 3.24Å; T163-E167 PolarHBondContact O-N 2.82Å; T163-E167 VanDerWaalsContact O-N 3.15Å
164E74.3Confident73.9Confident124 Ų12466.4 Ų66.458%0.57937%0.365SS*.Hα-helixtrans-55.1-35.2175.1-167.3-168159.700112.1S166 E167 K168E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 2.91Å; E164-E167 PolarHBondContact O-N 3.04Å; E164-K168 WeakPolarHBondContact O-CG 3.19Å; E164-K168 PolarHBondContact O-N 3.25Å; E164-K168 WeakPolarHBondContact OE1-CE 2.98Å; E164-K168 IonicContact OE1-NZ 3.47Å; E164-K168 PolarHBondContact OE1-NZ 3.16Å
165V77Confident74.5Confident100 Ų10071.1 Ų71.161%0.60638%0.382SS*.Hα-helixtrans-61.5-37175.2-177.80000111.5T163 A169 P309T163-V165 PolarHBondContact O-N 2.65Å; V165-A169 WeakPolarHBondContact O-CB 3.05Å; V165-A169 PolarHBondContact O-N 3.18Å; V165-P309 HydrophobicContact CG1-CB 4.45Å
166S75.5Confident75.5Confident20 Ų2070.3 Ų70.314%0.1437%0.374CS..Hα-helixtrans-72.6-36.2178.5-53.40000111.8T163 E164 A169 R170T163-S166 WeakPolarHBondContact O-CA 3.46Å; T163-S166 VanDerWaalsContact O-CB 3.29Å; T163-S166 WeakPolarHBondContact O-CB 3.23Å; T163-S166 PolarHBondContact O-N 3.07Å; T163-S166 PolarHBondContact OG1-N 3.26Å; T163-S166 PolarHBondContact OG1-OG 3.24Å; E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 2.91Å; S166-A169 PolarHBondContact O-N 2.78Å; S166-R170 WeakPolarHBondContact O-CD 3.48Å; S166-R170 VanDerWaalsContact O-CG 3.25Å; S166-R170 WeakPolarHBondContact O-CG 3.27Å; S166-R170 PolarHBondContact O-N 3.12Å
167E73.3Confident76.9Confident102 Ų10267.9 Ų67.948%0.47735%0.354SS..Hα-helixtrans-64.6-50.3173.8-68.3-176.816400111.6R162 T163 E164 A169 R170 L171R162-E167 HydrophobicContact CG-CG 3.84Å; T163-E167 PolarHBondContact O-N 2.82Å; T163-E167 VanDerWaalsContact O-N 3.15Å; E164-E167 PolarHBondContact O-N 3.04Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.06Å; E167-R170 PolarHBondContact O-N 2.89Å; E167-R170 VanDerWaalsContact O-N 3.1Å; E167-L171 PolarHBondContact O-N 3.23Å
168K79.4Confident78.2Confident114 Ų11470.4 Ų70.450%0.49636%0.36SS..Hα-helixtrans-58.2-40175.9-71.5179.7-176.9168.80112.3E164 H172E164-K168 WeakPolarHBondContact O-CG 3.19Å; E164-K168 PolarHBondContact O-N 3.25Å; E164-K168 WeakPolarHBondContact OE1-CE 2.98Å; E164-K168 IonicContact OE1-NZ 3.47Å; E164-K168 PolarHBondContact OE1-NZ 3.16Å; K168-H172 PolarHBondContact O-ND1 2.83Å
169A81Confident80Confident5 Ų566.1 Ų66.14%0.04133%0.329CS..Hα-helixtrans-65.4-39176.900000112.5V165 S166 E167 H172 I173 P309V165-A169 WeakPolarHBondContact O-CB 3.05Å; V165-A169 PolarHBondContact O-N 3.18Å; S166-A169 PolarHBondContact O-N 2.78Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.06Å; A169-H172 PolarHBondContact O-N 2.88Å; A169-I173 PolarHBondContact O-N 2.91Å; A169-P309 HydrophobicContact CB-CB 3.62Å; A169-P309 HydrophobicContact CB-CG 3.48Å; A169-P309 VanDerWaalsContact CB-CG 3.48Å
170R81.2Confident81.6Confident34 Ų3464.7 Ų64.713%0.12832%0.321CS..Hα-helixtrans-64.7-38.3179.2-75.9162.664.7116.5-12112.7L154 G155 L157 R162 S166 E167 H172 I173L154-R170 PolarHBondContact O-NH1 3.1Å; L154-R170 PolarHBondContact O-NH2 3.2Å; G155-R170 PolarHBondContact O-NH2 3.08Å; L157-R170 PolarHBondContact O-NH2 3.41Å; R162-R170 VanDerWaalsContact NH1-CZ 3.27Å; R162-R170 VanDerWaalsContact NH1-NH2 3.11Å; R162-R170 VanDerWaalsContact NH2-CZ 3.31Å; S166-R170 WeakPolarHBondContact O-CD 3.48Å; S166-R170 VanDerWaalsContact O-CG 3.25Å; S166-R170 WeakPolarHBondContact O-CG 3.27Å; S166-R170 PolarHBondContact O-N 3.12Å; E167-R170 PolarHBondContact O-N 2.89Å; E167-R170 VanDerWaalsContact O-N 3.1Å; R170-H172 PolarHBondContact O-N 2.93Å; R170-I173 HydrophobicContact CB-CD1 4.5Å; R170-I173 HydrophobicContact CG-CD1 4.26Å; R170-I173 WeakPolarHBondContact O-CB 3.46Å; R170-I173 PolarHBondContact O-N 3.06Å; R170-I173 VanDerWaalsContact O-N 3.07Å
171L85Confident83.4Confident143 Ų14361.9 Ų61.975%0.74930%0.302SS*.Hα-helixtrans-58.5-33.3175.2-65174.9000112.1E167E167-L171 PolarHBondContact O-N 3.23Å
172H90.9Very high84.7Confident77 Ų7760.9 Ų60.936%0.35630%0.296SS..THydrogen-bonded Turntrans-83.1-8.5178.8-63146.9000114.3K168 A169 R170 G174 S193 Y195 V293K168-H172 PolarHBondContact O-ND1 2.83Å; A169-H172 PolarHBondContact O-N 2.88Å; R170-H172 PolarHBondContact O-N 2.93Å; H172-G174 VanDerWaalsContact C-N 3.34Å; H172-S193 PolarHBondContact O-OG 2.98Å; H172-Y195 HydrophobicContact CB-CD1 4.38Å; H172-Y195 HydrophobicContact CB-CD2 3.72Å; H172-Y195 HydrophobicContact CB-CE1 4.3Å; H172-Y195 HydrophobicContact CB-CE2 3.63Å; H172-Y195 HydrophobicContact CB-CG 4.09Å; H172-Y195 AromaticContact CD2-CE2 3.81Å; H172-Y195 AromaticContact CD2-CZ 3.67Å; H172-Y195 PolarHBondContact CD2-OH 3.05Å; H172-Y195 AromaticContact CG-CE2 3.83Å; H172-Y195 AromaticContact CG-CZ 3.7Å; H172-Y195 WeakPolarHBondContact O-CD2 3.47Å; H172-V293 HydrophobicContact CB-CG1 4.21Å; H172-V293 HydrophobicContact CB-CG2 3.7Å
173I91.3Very high85.7Confident0 Ų062 Ų620%033%0.326CS..THydrogen-bonded Turntrans-66-42177.9-59.8-179.9000110L154 A169 R170 R175 G176 S193 F292 V293 C310L154-I173 HydrophobicContact CD1-CD1 3.78Å; A169-I173 PolarHBondContact O-N 2.91Å; R170-I173 HydrophobicContact CB-CD1 4.5Å; R170-I173 HydrophobicContact CG-CD1 4.26Å; R170-I173 WeakPolarHBondContact O-CB 3.46Å; R170-I173 PolarHBondContact O-N 3.06Å; R170-I173 VanDerWaalsContact O-N 3.07Å; I173-R175 PolarHBondContact O-N 2.94Å; I173-G176 PolarHBondContact O-N 3.13Å; I173-S193 WeakPolarHBondContact O-CB 3.48Å; I173-S193 PolarHBondContact O-OG 3.18Å; I173-F292 HydrophobicContact CD1-CB 3.91Å; I173-F292 HydrophobicContact CD1-CD2 4.25Å; I173-F292 HydrophobicContact CD1-CG 4.01Å; I173-F292 HydrophobicContact CG1-CB 3.74Å; I173-F292 HydrophobicContact CG1-CD1 4.5Å; I173-F292 HydrophobicContact CG1-CG 4.15Å; I173-F292 HydrophobicContact CG2-CD1 3.82Å; I173-F292 HydrophobicContact CG2-CE1 4.25Å; I173-F292 HydrophobicContact CG2-CG 4.26Å; I173-V293 HydrophobicContact CG1-CG2 4.43Å; I173-C310 HydrophobicContact CD1-CB 4.16Å
174G90.9Very high86.2Confident21 Ų2164.5 Ų64.522%0.21633%0.333CS..THydrogen-bonded Turntrans53.9-127.9-177.400000111.2G142 H172 G176G142-G174 PolarHBondContact N-O 2.76Å; H172-G174 VanDerWaalsContact C-N 3.34Å; G174-G176 PolarHBondContact O-N 3.46Å; G174-G176 VanDerWaalsContact O-N 3.17Å
175R92.8Very high86.7Confident103 Ų10359.2 Ų59.239%0.38931%0.312SS..THydrogen-bonded Turntrans-66.9-8.7176.8-66-178.9-66-94-16.3114.9D141 Y143 I173 V177 Q192 D194D141-R175 WeakPolarHBondContact CB-O 3.3Å; Y143-R175 HydrophobicContact CE2-CB 4.49Å; Y143-R175 HydrophobicContact CE2-CG 3.99Å; Y143-R175 WeakPolarHBondContact OH-CG 3.45Å; I173-R175 PolarHBondContact O-N 2.94Å; R175-V177 PolarHBondContact O-N 3.22Å; R175-Q192 HydrophobicContact CB-CB 3.83Å; R175-Q192 PolarHBondContact NE-O 2.96Å; R175-Q192 VanDerWaalsContact NE-O 3.12Å; R175-Q192 PolarHBondContact NH2-O 2.97Å; R175-D194 IonicContact NH2-OD1 3.27Å; R175-D194 PolarHBondContact NH2-OD1 3.24Å; R175-D194 IonicContact NH2-OD2 3.63Å; R175-D194 PolarHBondContact NH2-OD2 3.06Å
176G93Very high87.5Confident0 Ų056.2 Ų56.20%029%0.292CS..  trans59.2-128.717400000114.4V140 I173 G174 Q192 S193V140-G176 CarbonylContact O-C 3.56Å; V140-G176 VanDerWaalsContact O-CA 3.32Å; V140-G176 WeakPolarHBondContact O-CA 3.28Å; I173-G176 PolarHBondContact O-N 3.13Å; G174-G176 PolarHBondContact O-N 3.46Å; G174-G176 VanDerWaalsContact O-N 3.17Å; G176-Q192 CarbonylContact O-C 3.53Å; G176-Q192 PolarHBondContact O-N 3.37Å; G176-S193 PolarHBondContact O-N 3.45Å
177V95.9Very high88.4Confident0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-127.8148.4-177-61.90000111.8T139 V140 R175 L189 S190 V197 M290 F292T139-V177 CarbonylContact C-O 3.55Å; T139-V177 WeakPolarHBondContact CA-O 3.36Å; V140-V177 HydrophobicContact CB-CG2 4Å; V140-V177 PolarHBondContact N-O 3.34Å; V140-V177 PolarHBondContact O-N 3.24Å; R175-V177 PolarHBondContact O-N 3.22Å; V177-L189 HydrophobicContact CB-CG 4.37Å; V177-L189 HydrophobicContact CG1-CD1 4.46Å; V177-L189 HydrophobicContact CG1-CD2 4.13Å; V177-L189 HydrophobicContact CG1-CG 4.4Å; V177-S190 VanDerWaalsContact CA-O 3.31Å; V177-S190 WeakPolarHBondContact CA-O 3.49Å; V177-V197 HydrophobicContact CG1-CB 4.19Å; V177-V197 HydrophobicContact CG1-CG1 4.09Å; V177-V197 HydrophobicContact CG1-CG2 3.61Å; V177-M290 HydrophobicContact CG2-SD 3.94Å; V177-F292 HydrophobicContact CG1-CE1 4.05Å; V177-F292 HydrophobicContact CG2-CE1 3.93Å; V177-F292 HydrophobicContact CG2-CZ 4.13Å
178R94.5Very high89.5Confident98 Ų9854 Ų5437%0.3728%0.277SS..EExtended strand (participates in β ladder)trans-111131.3163.8176.1-178.4-83.3-175.3-8.4109V138 D180 L189 S190V138-R178 CarbonylContact O-C 3.53Å; V138-R178 WeakPolarHBondContact O-CA 3.22Å; R178-D180 VanDerWaalsContact CD-OD1 3.26Å; R178-D180 WeakPolarHBondContact CD-OD1 3.41Å; R178-D180 WeakPolarHBondContact CG-OD1 3.5Å; R178-L189 WeakPolarHBondContact O-CA 3.19Å; R178-S190 PolarHBondContact N-O 3.48Å; R178-S190 PolarHBondContact O-N 3.34Å
179L94.3Very high90.4Very high13 Ų1348.5 Ų48.57%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-103.7119.8171.8-60.1178.7000108.5S137 V138 V187 W188 L189 M290 V314S137-L179 CarbonylContact C-O 3.57Å; S137-L179 VanDerWaalsContact CA-O 3.23Å; S137-L179 WeakPolarHBondContact CA-O 3.49Å; V138-L179 PolarHBondContact N-O 3.49Å; V138-L179 PolarHBondContact O-N 3.11Å; L179-V187 HydrophobicContact CB-CG1 4.18Å; L179-V187 HydrophobicContact CD2-CG1 4.2Å; L179-W188 CarbonylContact C-O 3.38Å; L179-W188 VanDerWaalsContact CA-O 3.3Å; L179-W188 WeakPolarHBondContact CA-O 2.92Å; L179-L189 HydrophobicContact CD2-CB 3.9Å; L179-L189 HydrophobicContact CD2-CD1 3.8Å; L179-L189 HydrophobicContact CD2-CG 3.84Å; L179-M290 HydrophobicContact CD1-CE 4.24Å; L179-M290 HydrophobicContact CD2-CE 4.19Å; L179-V314 HydrophobicContact CD1-CG1 4.12Å; L179-V314 HydrophobicContact CD1-CG2 4.01Å
180D93Very high91.2Very high27 Ų2749.4 Ų49.414%0.14426%0.259CS..EExtended strand (participates in β ladder)trans-105.9123.1176-56.7-40.3000109.5P136 S137 R178 V187 W188 Y224P136-D180 CarbonylContact O-C 3.54Å; P136-D180 WeakPolarHBondContact O-CA 3.25Å; S137-D180 WeakPolarHBondContact CB-OD1 3.39Å; R178-D180 VanDerWaalsContact CD-OD1 3.26Å; R178-D180 WeakPolarHBondContact CD-OD1 3.41Å; R178-D180 WeakPolarHBondContact CG-OD1 3.5Å; D180-V187 WeakPolarHBondContact O-CA 2.73Å; D180-W188 HydrophobicContact CB-CB 4.36Å; D180-W188 PolarHBondContact N-O 2.84Å; D180-W188 PolarHBondContact O-N 2.74Å; D180-Y224 WeakPolarHBondContact OD2-CE2 3.47Å; D180-Y224 PolarHBondContact OD2-OH 3.1Å
181L89.5Confident92Very high76 Ų7647.9 Ų47.940%0.39825%0.253SS..EExtended strand (participates in β ladder)trans-81.9121.9166.8-69.3171.3000109.2P136 D186 V187P136-L181 PolarHBondContact O-N 2.99Å; L181-D186 CarbonylContact C-O 3.48Å; L181-D186 WeakPolarHBondContact CA-O 3.36Å; L181-V187 HydrophobicContact CD2-CG2 3.74Å
182K88.9Confident92.6Very high88 Ų8843.4 Ų43.438%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-120.5143.6176.9-66-168.3-178.2174.70111E184 G185 D186 W188 Y224K182-E184 PolarHBondContact O-N 3.31Å; K182-G185 PolarHBondContact O-N 3.11Å; K182-D186 PolarHBondContact N-O 2.89Å; K182-D186 WeakPolarHBondContact O-CB 3.45Å; K182-D186 PolarHBondContact O-N 2.95Å; K182-W188 HydrophobicContact CD-CG 4.24Å; K182-Y224 WeakPolarHBondContact CE-OH 3.35Å; K182-Y224 PolarHBondContact NZ-OH 2.92Å
183G85.6Confident92.8Very high85 Ų8539.8 Ų39.888%0.87621%0.212SC*.THydrogen-bonded Turntrans58.4-133.9178.800000112G185G183-G185 VanDerWaalsContact C-N 3.29Å; G183-G185 PolarHBondContact O-N 2.81Å
184E82.6Confident93Very high125 Ų12544.7 Ų44.758%0.58424%0.238SC*.THydrogen-bonded Turntrans-76.5-11.9-175.5-64.7177147.400113.9K182 L230 R231K182-E184 PolarHBondContact O-N 3.31Å; E184-L230 HydrophobicContact CB-CD2 4.1Å; E184-L230 WeakPolarHBondContact O-CD2 3.15Å; E184-R231 IonicContact OE2-CZ 2.65Å; E184-R231 IonicContact OE2-NE 3.25Å; E184-R231 PolarHBondContact OE2-NE 3.21Å; E184-R231 IonicContact OE2-NH2 3.4Å; E184-R231 PolarHBondContact OE2-NH2 2.78Å
185G85.4Confident93.2Very high12 Ų1248.7 Ų48.712%0.12425%0.247CC..THydrogen-bonded Turntrans152.221.6-18000000115.5K182 G183K182-G185 PolarHBondContact O-N 3.11Å; G183-G185 VanDerWaalsContact C-N 3.29Å; G183-G185 PolarHBondContact O-N 2.81Å
186D93.2Very high93.4Very high37 Ų3744.6 Ų44.620%0.19824%0.235CC..EExtended strand (participates in β ladder)trans-73.4139.3173.4-73.9-12.9000110.1L181 K182 K226 D229 L230L181-D186 CarbonylContact C-O 3.48Å; L181-D186 WeakPolarHBondContact CA-O 3.36Å; K182-D186 PolarHBondContact N-O 2.89Å; K182-D186 WeakPolarHBondContact O-CB 3.45Å; K182-D186 PolarHBondContact O-N 2.95Å; D186-K226 VanDerWaalsContact CG-CE 3.45Å; D186-K226 IonicContact OD1-NZ 3.79Å; D186-K226 WeakPolarHBondContact OD2-CE 2.96Å; D186-K226 IonicContact OD2-NZ 2.78Å; D186-K226 PolarHBondContact OD2-NZ 3.31Å; D186-D229 WeakPolarHBondContact OD1-CA 3.34Å; D186-L230 PolarHBondContact OD1-N 2.67Å
187V94.9Very high93.6Very high2 Ų244.7 Ų44.71%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-111.9125.7-178.3-169.90000109.9L179 D180 L181 V227 F228 L288 L316L179-V187 HydrophobicContact CB-CG1 4.18Å; L179-V187 HydrophobicContact CD2-CG1 4.2Å; D180-V187 WeakPolarHBondContact O-CA 2.73Å; L181-V187 HydrophobicContact CD2-CG2 3.74Å; V187-V227 HydrophobicContact CB-CG2 4.12Å; V187-V227 HydrophobicContact CG1-CG2 3.93Å; V187-V227 WeakPolarHBondContact O-CG2 3.29Å; V187-V227 PolarHBondContact O-N 3.23Å; V187-F228 HydrophobicContact CB-CB 3.77Å; V187-F228 HydrophobicContact CG2-CB 3.82Å; V187-F228 HydrophobicContact CG2-CD1 3.97Å; V187-F228 HydrophobicContact CG2-CG 4.22Å; V187-F228 PolarHBondContact N-O 3.28Å; V187-F228 PolarHBondContact O-N 3.39Å; V187-L288 HydrophobicContact CB-CD1 4.4Å; V187-L288 HydrophobicContact CG1-CD1 4.28Å; V187-L316 HydrophobicContact CG2-CD1 4.17Å; V187-L316 HydrophobicContact CG2-CD2 3.62Å
188W97.2Very high93.6Very high73 Ų7345.1 Ų45.128%0.27724%0.237SC..EExtended strand (participates in β ladder)trans-108.2138.4170.9-70.370.4000109.9L179 D180 K182 Y224 I225 K226L179-W188 CarbonylContact C-O 3.38Å; L179-W188 VanDerWaalsContact CA-O 3.3Å; L179-W188 WeakPolarHBondContact CA-O 2.92Å; D180-W188 HydrophobicContact CB-CB 4.36Å; D180-W188 PolarHBondContact N-O 2.84Å; D180-W188 PolarHBondContact O-N 2.74Å; K182-W188 HydrophobicContact CD-CG 4.24Å; W188-Y224 HydrophobicContact CB-CE2 3.75Å; W188-Y224 HydrophobicContact CD2-CE1 4.27Å; W188-Y224 AromaticContact CE3-CD1 3.93Å; W188-Y224 HydrophobicContact CE3-CD1 3.93Å; W188-Y224 AromaticContact CE3-CE1 3.63Å; W188-Y224 HydrophobicContact CE3-CE1 3.63Å; W188-Y224 HydrophobicContact CE3-CE2 4.43Å; W188-Y224 HydrophobicContact CE3-CG 4.47Å; W188-Y224 AromaticContact CE3-CZ 3.94Å; W188-Y224 HydrophobicContact CZ3-CD1 4.28Å; W188-Y224 HydrophobicContact CZ3-CE1 4.2Å; W188-I225 CarbonylContact C-O 3.3Å; W188-I225 WeakPolarHBondContact CA-O 3.38Å; W188-I225 VanDerWaalsContact CE3-C 3.47Å; W188-K226 HydrophobicContact CD2-CB 3.95Å; W188-K226 HydrophobicContact CD2-CG 4.49Å; W188-K226 HydrophobicContact CE3-CB 4.21Å; W188-K226 VanDerWaalsContact CE3-N 3.34Å; W188-K226 HydrophobicContact CH2-CB 4.14Å; W188-K226 HydrophobicContact CZ2-CB 3.87Å; W188-K226 HydrophobicContact CZ2-CD 4.27Å; W188-K226 HydrophobicContact CZ2-CG 4.37Å; W188-K226 HydrophobicContact CZ3-CB 4.29Å
189L97.9Very high93.7Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-109.7125.2177-173.3153.2000109.3V177 R178 L179 C191 V199 I219 Y224 I225 V227 M290V177-L189 HydrophobicContact CB-CG 4.37Å; V177-L189 HydrophobicContact CG1-CD1 4.46Å; V177-L189 HydrophobicContact CG1-CD2 4.13Å; V177-L189 HydrophobicContact CG1-CG 4.4Å; R178-L189 WeakPolarHBondContact O-CA 3.19Å; L179-L189 HydrophobicContact CD2-CB 3.9Å; L179-L189 HydrophobicContact CD2-CD1 3.8Å; L179-L189 HydrophobicContact CD2-CG 3.84Å; L189-C191 HydrophobicContact CD2-CB 4.36Å; L189-V199 HydrophobicContact CD1-CG2 3.87Å; L189-I219 HydrophobicContact CD2-CB 4.44Å; L189-I219 HydrophobicContact CD2-CG1 4.48Å; L189-I219 HydrophobicContact CD2-CG2 3.89Å; L189-Y224 WeakPolarHBondContact O-CA 3.41Å; L189-I225 PolarHBondContact N-O 2.96Å; L189-I225 PolarHBondContact O-N 3.49Å; L189-V227 HydrophobicContact CB-CB 4.44Å; L189-V227 HydrophobicContact CB-CG1 3.57Å; L189-V227 HydrophobicContact CB-CG2 3.96Å; L189-V227 HydrophobicContact CD1-CG1 4.3Å; L189-M290 HydrophobicContact CD1-CE 4.02Å; L189-M290 HydrophobicContact CD1-SD 4.02Å
190S97.6Very high93.7Very high24 Ų2441.3 Ų41.317%0.16822%0.223CC..EExtended strand (participates in β ladder)trans-104.7118.6168.1-174.40000109.5V177 R178 Q192V177-S190 VanDerWaalsContact CA-O 3.31Å; V177-S190 WeakPolarHBondContact CA-O 3.49Å; R178-S190 PolarHBondContact N-O 3.48Å; R178-S190 PolarHBondContact O-N 3.34Å; S190-Q192 PolarHBondContact O-N 2.87Å
191C97.7Very high93.7Very high1 Ų140 Ų401%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-83.7100.9174.7-171.50000109.6L189 Y195 I219 Y220 K222 A223L189-C191 HydrophobicContact CD2-CB 4.36Å; C191-Y195 PolarHBondContact SG-O 2.66Å; C191-I219 HydrophobicContact CB-CG2 4.04Å; C191-Y220 VanDerWaalsContact CB-O 3.29Å; C191-Y220 WeakPolarHBondContact CB-O 3.37Å; C191-K222 WeakPolarHBondContact O-CA 3.43Å; C191-K222 PolarHBondContact O-N 3.07Å; C191-A223 PolarHBondContact N-O 3.34Å
192Q97Very high93.7Very high50 Ų5037.9 Ų37.923%0.23420%0.203CC..  trans-93.4-18.1-177.5-62-173.6-25.900112.8R175 G176 S190 K222R175-Q192 HydrophobicContact CB-CB 3.83Å; R175-Q192 PolarHBondContact NE-O 2.96Å; R175-Q192 VanDerWaalsContact NE-O 3.12Å; R175-Q192 PolarHBondContact NH2-O 2.97Å; G176-Q192 CarbonylContact O-C 3.53Å; G176-Q192 PolarHBondContact O-N 3.37Å; S190-Q192 PolarHBondContact O-N 2.87Å; Q192-K222 PolarHBondContact O-NZ 2.87Å
193S95.2Very high94Very high1 Ų135.5 Ų35.51%0.00719%0.192CC..SBendtrans-58.7157.6169.3-169.60000111.8H172 I173 G176 Y195H172-S193 PolarHBondContact O-OG 2.98Å; I173-S193 WeakPolarHBondContact O-CB 3.48Å; I173-S193 PolarHBondContact O-OG 3.18Å; G176-S193 PolarHBondContact O-N 3.45Å; S193-Y195 VanDerWaalsContact C-N 3.27Å; S193-Y195 WeakPolarHBondContact CB-O 3.49Å; S193-Y195 PolarHBondContact OG-N 2.9Å; S193-Y195 VanDerWaalsContact OG-N 3.12Å
194D96.1Very high94.3Very high102 Ų10232.1 Ų32.155%0.54515%0.154SC..SBendtrans-89.4-1.3170.5-54-42.3000111.2R175 P221 K222R175-D194 IonicContact NH2-OD1 3.27Å; R175-D194 PolarHBondContact NH2-OD1 3.24Å; R175-D194 IonicContact NH2-OD2 3.63Å; R175-D194 PolarHBondContact NH2-OD2 3.06Å; D194-P221 VanDerWaalsContact O-CG 3.23Å; D194-P221 WeakPolarHBondContact O-CG 3.41Å; D194-K222 IonicContact OD1-NZ 2.78Å; D194-K222 PolarHBondContact OD1-NZ 3.44Å
195Y95.8Very high94.7Very high105 Ų10526.1 Ų26.141%0.41213%0.126SC..SBendtrans-113.4154.6172.5-70.1-97.3000111.7H172 C191 S193 V293H172-Y195 HydrophobicContact CB-CD1 4.38Å; H172-Y195 HydrophobicContact CB-CD2 3.72Å; H172-Y195 HydrophobicContact CB-CE1 4.3Å; H172-Y195 HydrophobicContact CB-CE2 3.63Å; H172-Y195 HydrophobicContact CB-CG 4.09Å; H172-Y195 AromaticContact CD2-CE2 3.81Å; H172-Y195 AromaticContact CD2-CZ 3.67Å; H172-Y195 PolarHBondContact CD2-OH 3.05Å; H172-Y195 AromaticContact CG-CE2 3.83Å; H172-Y195 AromaticContact CG-CZ 3.7Å; H172-Y195 WeakPolarHBondContact O-CD2 3.47Å; C191-Y195 PolarHBondContact SG-O 2.66Å; S193-Y195 VanDerWaalsContact C-N 3.27Å; S193-Y195 WeakPolarHBondContact CB-O 3.49Å; S193-Y195 PolarHBondContact OG-N 2.9Å; S193-Y195 VanDerWaalsContact OG-N 3.12Å; Y195-V293 HydrophobicContact CD1-CG1 4.07Å; Y195-V293 HydrophobicContact CG-CG1 4.48Å; Y195-V293 HydrophobicContact CG-CG2 4.38Å
196S96.6Very high94.8Very high18 Ų1827.4 Ų27.413%0.12613%0.127CC..  trans-68.6151.9177.5-540000112.7K218 I219 V293S196-K218 WeakPolarHBondContact OG-CE 3.34Å; S196-I219 WeakPolarHBondContact CA-O 3.46Å; S196-I219 WeakPolarHBondContact CB-O 3.22Å; S196-V293 WeakPolarHBondContact O-CA 3.41Å; S196-V293 PolarHBondContact O-N 2.95Å
197V96.6Very high94.6Very high1 Ų130.7 Ų30.71%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-115.1146.4172177.30000108.6V177 V199 I219 M290 S291 F292V177-V197 HydrophobicContact CG1-CB 4.19Å; V177-V197 HydrophobicContact CG1-CG1 4.09Å; V177-V197 HydrophobicContact CG1-CG2 3.61Å; V197-V199 HydrophobicContact CG1-CG2 4.14Å; V197-I219 PolarHBondContact N-O 3.05Å; V197-I219 PolarHBondContact O-N 3.32Å; V197-M290 HydrophobicContact CG1-CB 4.08Å; V197-M290 HydrophobicContact CG1-CG 4.41Å; V197-M290 HydrophobicContact CG1-SD 4.36Å; V197-S291 WeakPolarHBondContact CG1-O 3.11Å; V197-F292 HydrophobicContact CG2-CD1 3.95Å; V197-F292 HydrophobicContact CG2-CE1 4.44Å
198F97Very high94.2Very high10 Ų1033.2 Ų33.24%0.04416%0.162CC..EExtended strand (participates in β ladder)trans-116.8125.8-176.1-59.9-95.3000108.2V216 H217 K218 M290 S291 V293 K294 G295 W296 Y300F198-V216 HydrophobicContact CB-CG1 3.73Å; F198-V216 HydrophobicContact CD1-CG1 4.4Å; F198-H217 CarbonylContact C-O 3.56Å; F198-H217 WeakPolarHBondContact CA-O 3.49Å; F198-K218 HydrophobicContact CD1-CB 4.01Å; F198-K218 HydrophobicContact CD1-CG 4.14Å; F198-K218 HydrophobicContact CE1-CB 3.88Å; F198-K218 HydrophobicContact CE1-CD 3.85Å; F198-K218 HydrophobicContact CE1-CG 3.62Å; F198-K218 HydrophobicContact CZ-CD 4.22Å; F198-K218 HydrophobicContact CZ-CG 4.09Å; F198-M290 CarbonylContact O-C 3.57Å; F198-M290 WeakPolarHBondContact O-CA 3.23Å; F198-M290 VanDerWaalsContact O-CB 3.29Å; F198-M290 WeakPolarHBondContact O-CB 3.45Å; F198-S291 PolarHBondContact N-O 3.36Å; F198-S291 PolarHBondContact O-N 3.34Å; F198-V293 WeakPolarHBondContact CE2-O 3.34Å; F198-K294 VanDerWaalsContact CD2-C 3.44Å; F198-G295 VanDerWaalsContact CD2-CA 3.46Å; F198-W296 HydrophobicContact CB-CE3 4.1Å; F198-W296 HydrophobicContact CB-CZ3 3.67Å; F198-W296 VanDerWaalsContact O-CZ3 3.3Å; F198-W296 WeakPolarHBondContact O-CZ3 3.36Å; F198-Y300 HydrophobicContact CD1-CE1 4.36Å; F198-Y300 HydrophobicContact CD1-CE2 4.46Å; F198-Y300 AromaticContact CD1-CZ 3.94Å; F198-Y300 AromaticContact CE1-CE1 3.65Å; F198-Y300 HydrophobicContact CE1-CE1 3.65Å; F198-Y300 HydrophobicContact CE1-CE2 4.46Å; F198-Y300 AromaticContact CE1-CZ 3.55Å; F198-Y300 VanDerWaalsContact CE1-OH 3.28Å; F198-Y300 WeakPolarHBondContact CE1-OH 3.22Å; F198-Y300 HydrophobicContact CZ-CE1 4.27Å
199V95.8Very high93.4Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-125.4128.3-169-177.20000109.6L189 V197 H217 I219 V227 R289 M290L189-V199 HydrophobicContact CD1-CG2 3.87Å; V197-V199 HydrophobicContact CG1-CG2 4.14Å; V199-H217 PolarHBondContact N-O 2.99Å; V199-H217 PolarHBondContact O-CD2 3.13Å; V199-H217 PolarHBondContact O-N 3.21Å; V199-I219 HydrophobicContact CB-CG1 4.45Å; V199-I219 HydrophobicContact CG2-CG1 3.75Å; V199-V227 HydrophobicContact CG1-CG1 4.48Å; V199-R289 WeakPolarHBondContact CA-O 3.45Å; V199-M290 HydrophobicContact CG2-CB 3.97Å
200Q93.6Very high92.5Very high31 Ų3136.8 Ų36.815%0.14518%0.18CC..EExtended strand (participates in β ladder)trans-90.4117.1161.1169.9178.577.800107.7G213 R289 W296Q200-G213 PolarHBondContact NE2-O 2.77Å; Q200-R289 HydrophobicContact CB-CB 4.32Å; Q200-R289 PolarHBondContact N-O 3.1Å; Q200-R289 PolarHBondContact O-N 2.94Å; Q200-W296 HydrophobicContact CB-CH2 4.26Å; Q200-W296 HydrophobicContact CB-CZ2 3.72Å
201S93Very high91.3Very high0 Ų037.5 Ų37.50%019%0.187CC..  trans-142.1120.2-178.3161.10000109.4Y203 L204 D205 V227S201-Y203 PolarHBondContact O-N 3.05Å; S201-Y203 PolarHBondContact OG-N 3.44Å; S201-L204 PolarHBondContact O-N 2.86Å; S201-L204 PolarHBondContact OG-N 2.76Å; S201-D205 PolarHBondContact O-N 3.2Å; S201-V227 WeakPolarHBondContact CB-O 3.46Å; S201-V227 PolarHBondContact OG-O 2.9Å
202Y91Very high90.2Very high31 Ų3140.3 Ų40.312%0.12221%0.205CC..Hα-helixtrans-59.6-30.5173.1-73.6-77.3000112.9R206 P212 R284 L285Y202-R206 WeakPolarHBondContact O-CD 3.11Å; Y202-R206 VanDerWaalsContact O-CG 3.28Å; Y202-R206 WeakPolarHBondContact O-CG 3.46Å; Y202-R206 PolarHBondContact O-N 3.08Å; Y202-P212 HydrophobicContact CD1-CB 3.48Å; Y202-P212 VanDerWaalsContact CD1-CB 3.48Å; Y202-P212 HydrophobicContact CE1-CB 3.54Å; Y202-R284 HydrophobicContact CE2-CB 4.18Å; Y202-R284 WeakPolarHBondContact CE2-O 3.36Å; Y202-L285 HydrophobicContact CD1-CD2 3.95Å; Y202-L285 HydrophobicContact CD2-CD2 4.15Å; Y202-L285 HydrophobicContact CE1-CD2 4.01Å; Y202-L285 HydrophobicContact CE2-CD2 4.25Å; Y202-L285 HydrophobicContact CG-CD2 3.99Å
203Y93.5Very high89Confident38 Ų3839.1 Ų39.115%0.14921%0.206CC..Hα-helixtrans-67.2-55.1174.8169.4-100000110.7S201 D205 R206 E207 K226 D229S201-Y203 PolarHBondContact O-N 3.05Å; S201-Y203 PolarHBondContact OG-N 3.44Å; Y203-D205 VanDerWaalsContact C-N 3.28Å; Y203-D205 PolarHBondContact O-N 2.92Å; Y203-R206 WeakPolarHBondContact O-CB 3.26Å; Y203-R206 PolarHBondContact O-N 2.77Å; Y203-E207 HydrophobicContact CD1-CG 4.31Å; Y203-E207 HydrophobicContact CD2-CG 4.3Å; Y203-E207 HydrophobicContact CE1-CG 3.82Å; Y203-E207 HydrophobicContact CE2-CG 3.8Å; Y203-E207 WeakPolarHBondContact O-CG 3.17Å; Y203-E207 PolarHBondContact O-N 3.01Å; Y203-K226 HydrophobicContact CD1-CG 4.32Å; Y203-K226 WeakPolarHBondContact CD1-O 3.4Å; Y203-K226 HydrophobicContact CE1-CB 3.78Å; Y203-K226 HydrophobicContact CE1-CD 4.06Å; Y203-K226 HydrophobicContact CE1-CG 3.79Å; Y203-K226 VanDerWaalsContact CE1-O 3.24Å; Y203-K226 WeakPolarHBondContact CE1-O 3.27Å; Y203-K226 HydrophobicContact CE2-CD 4.32Å; Y203-D229 HydrophobicContact CD2-CB 3.49Å; Y203-D229 VanDerWaalsContact CD2-CB 3.49Å; Y203-D229 HydrophobicContact CE2-CB 3.8Å; Y203-D229 HydrophobicContact CG-CB 4.29Å
204L93.9Very high88Confident13 Ų1343.7 Ų43.77%0.06823%0.231CC..Hα-helixtrans-63.6-34.2180-69.4179.1000112.5S201 R206 E207 A208 H217 I219 I225 K226 V227S201-L204 PolarHBondContact O-N 2.86Å; S201-L204 PolarHBondContact OG-N 2.76Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.37Å; L204-E207 PolarHBondContact O-N 3.03Å; L204-A208 VanDerWaalsContact O-CB 3.23Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 2.74Å; L204-H217 VanDerWaalsContact C-CE1 3.43Å; L204-H217 WeakPolarHBondContact CB-NE2 3.2Å; L204-H217 HydrophobicContact CD1-CB 3.78Å; L204-H217 PolarHBondContact O-CE1 3.32Å; L204-I219 HydrophobicContact CD1-CD1 4.24Å; L204-I225 HydrophobicContact CD2-CD1 3.9Å; L204-I225 HydrophobicContact CD2-CG1 4.29Å; L204-K226 VanDerWaalsContact CD2-O 3.32Å; L204-K226 WeakPolarHBondContact CD2-O 3.2Å; L204-V227 HydrophobicContact CD1-CG1 4.11Å
205D90.6Very high87.5Confident0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-55.8-47.2172.4-68.1-21.4000110.4S201 Y203 A208 G209 R210 G213 A215 H217S201-D205 PolarHBondContact O-N 3.2Å; Y203-D205 VanDerWaalsContact C-N 3.28Å; Y203-D205 PolarHBondContact O-N 2.92Å; D205-A208 CarbonylContact O-C 3.57Å; D205-A208 PolarHBondContact O-N 3.06Å; D205-G209 PolarHBondContact O-N 3.36Å; D205-G209 VanDerWaalsContact O-N 3.1Å; D205-R210 HydrophobicContact CB-CB 4.2Å; D205-R210 WeakPolarHBondContact O-CA 3.29Å; D205-R210 WeakPolarHBondContact O-CB 3.37Å; D205-R210 PolarHBondContact O-N 3.48Å; D205-G213 WeakPolarHBondContact OD2-CA 3.45Å; D205-G213 PolarHBondContact OD2-N 3.26Å; D205-A215 WeakPolarHBondContact OD1-CB 3.47Å; D205-H217 PolarHBondContact N-NE2 3.25Å; D205-H217 IonicContact OD1-CD2 3.76Å; D205-H217 IonicContact OD1-CE1 3.1Å; D205-H217 IonicContact OD1-NE2 3.71Å; D205-H217 PolarHBondContact OD1-NE2 3.08Å
206R86.1Confident87.3Confident39 Ų3935.9 Ų35.915%0.14720%0.199CC..Hα-helixtrans-67.2-43.3179.9-71.6169.6174.3-73.8-6.3112.3Y202 Y203 L204 A208 G209 Q236Y202-R206 WeakPolarHBondContact O-CD 3.11Å; Y202-R206 VanDerWaalsContact O-CG 3.28Å; Y202-R206 WeakPolarHBondContact O-CG 3.46Å; Y202-R206 PolarHBondContact O-N 3.08Å; Y203-R206 WeakPolarHBondContact O-CB 3.26Å; Y203-R206 PolarHBondContact O-N 2.77Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.37Å; R206-A208 PolarHBondContact O-N 3.28Å; R206-G209 PolarHBondContact O-N 2.89Å; R206-Q236 VanDerWaalsContact CZ-OE1 3.26Å; R206-Q236 VanDerWaalsContact NH2-NE2 3.17Å
207E88.8Confident87.2Confident105 Ų10536.6 Ų36.649%0.49120%0.2SC..Hα-helixtrans-62.2-34.8176.3-62.6-48.9120.500111.5Y203 L204 G209 Q232Y203-E207 HydrophobicContact CD1-CG 4.31Å; Y203-E207 HydrophobicContact CD2-CG 4.3Å; Y203-E207 HydrophobicContact CE1-CG 3.82Å; Y203-E207 HydrophobicContact CE2-CG 3.8Å; Y203-E207 WeakPolarHBondContact O-CG 3.17Å; Y203-E207 PolarHBondContact O-N 3.01Å; L204-E207 PolarHBondContact O-N 3.03Å; E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 3.46Å; E207-Q232 PolarHBondContact OE1-NE2 2.9Å
208A86.8Confident87.2Confident56 Ų5640.5 Ų40.546%0.46322%0.217SC..THydrogen-bonded Turntrans-81.6-2175.100000114.1L204 D205 R206 R210L204-A208 VanDerWaalsContact O-CB 3.23Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 2.74Å; D205-A208 CarbonylContact O-C 3.57Å; D205-A208 PolarHBondContact O-N 3.06Å; R206-A208 PolarHBondContact O-N 3.28Å; A208-R210 HydrophobicContact CB-CG 3.98Å
209G81.1Confident87.2Confident13 Ų1340.5 Ų40.513%0.13422%0.217CC..THydrogen-bonded Turntrans62.341-173.700000113F5 D205 R206 E207F5-G209 WeakPolarHBondContact CE1-O 3.49Å; F5-G209 WeakPolarHBondContact CE2-O 3.43Å; F5-G209 WeakPolarHBondContact CZ-O 3.48Å; D205-G209 PolarHBondContact O-N 3.36Å; D205-G209 VanDerWaalsContact O-N 3.1Å; R206-G209 PolarHBondContact O-N 2.89Å; E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 3.46Å
210R78.6Confident87.3Confident135 Ų13547 Ų4751%0.50924%0.243SC..  trans-106.9158.4174.5-61.6-78-176.7152.81.7109.4D205 A208 A215D205-R210 HydrophobicContact CB-CB 4.2Å; D205-R210 WeakPolarHBondContact O-CA 3.29Å; D205-R210 WeakPolarHBondContact O-CB 3.37Å; D205-R210 PolarHBondContact O-N 3.48Å; A208-R210 HydrophobicContact CB-CG 3.98Å; R210-A215 HydrophobicContact CB-CB 4.2Å; R210-A215 HydrophobicContact CG-CB 3.96Å
211A72.3Confident87.4Confident39 Ų3947.7 Ų47.732%0.32225%0.25SS..  trans-68.1143.9171.900000109.8G213 D214A211-G213 PolarHBondContact O-N 3.02Å; A211-D214 HydrophobicContact CB-CB 4.01Å; A211-D214 WeakPolarHBondContact O-CB 3.21Å; A211-D214 PolarHBondContact O-N 3.26Å
212P74.2Confident87.5Confident59 Ų5953.6 Ų53.638%0.38328%0.276SS..THydrogen-bonded Turntrans-44.9117.8172.1-36.742000113.6Y202 D214Y202-P212 HydrophobicContact CD1-CB 3.48Å; Y202-P212 VanDerWaalsContact CD1-CB 3.48Å; Y202-P212 HydrophobicContact CE1-CB 3.54Å; P212-D214 VanDerWaalsContact C-N 3.35Å
213G72.2Confident87.8Confident25 Ų2553.6 Ų53.626%0.25828%0.283SS..THydrogen-bonded Turntrans84.6-0.7176.900000115.5Q200 D205 A211Q200-G213 PolarHBondContact NE2-O 2.77Å; D205-G213 WeakPolarHBondContact OD2-CA 3.45Å; D205-G213 PolarHBondContact OD2-N 3.26Å; A211-G213 PolarHBondContact O-N 3.02Å
214D74.6Confident88.1Confident98 Ų9856.3 Ų56.352%0.52429%0.293SS..  trans-82.8-23.7-172.3-170.152.9000113.4A211 P212A211-D214 HydrophobicContact CB-CB 4.01Å; A211-D214 WeakPolarHBondContact O-CB 3.21Å; A211-D214 PolarHBondContact O-N 3.26Å; P212-D214 VanDerWaalsContact C-N 3.35Å
215A85Confident88.2Confident14 Ų1458.6 Ų58.612%0.11631%0.305CS..  trans-118.3157.5-172.900000113.6D205 R210D205-A215 WeakPolarHBondContact OD1-CB 3.47Å; R210-A215 HydrophobicContact CB-CB 4.2Å; R210-A215 HydrophobicContact CG-CB 3.96Å
216V91.8Very high88.6Confident28 Ų2859.9 Ų59.917%0.1731%0.31CS..  trans-121.5117.4172.7178.60000107.3F198 W296F198-V216 HydrophobicContact CB-CG1 3.73Å; F198-V216 HydrophobicContact CD1-CG1 4.4Å; V216-W296 WeakPolarHBondContact CB-O 3.01Å; V216-W296 HydrophobicContact CG1-CD2 3.98Å; V216-W296 HydrophobicContact CG1-CE3 3.85Å; V216-W296 HydrophobicContact CG1-CH2 3.95Å; V216-W296 HydrophobicContact CG1-CZ2 4.08Å; V216-W296 HydrophobicContact CG1-CZ3 3.83Å; V216-W296 HydrophobicContact CG2-CD2 3.88Å; V216-W296 VanDerWaalsContact CG2-CE2 3.42Å; V216-W296 HydrophobicContact CG2-CG 4.17Å; V216-W296 HydrophobicContact CG2-CH2 4.5Å; V216-W296 HydrophobicContact CG2-CZ2 3.8Å; V216-W296 VanDerWaalsContact CG2-O 3.27Å; V216-W296 WeakPolarHBondContact CG2-O 3.47Å
217H94.7Very high89.1Confident33 Ų3358 Ų5815%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-92.9121.1-173-61.2-87000110.1F198 V199 L204 D205 I219F198-H217 CarbonylContact C-O 3.56Å; F198-H217 WeakPolarHBondContact CA-O 3.49Å; V199-H217 PolarHBondContact N-O 2.99Å; V199-H217 PolarHBondContact O-CD2 3.13Å; V199-H217 PolarHBondContact O-N 3.21Å; L204-H217 VanDerWaalsContact C-CE1 3.43Å; L204-H217 WeakPolarHBondContact CB-NE2 3.2Å; L204-H217 HydrophobicContact CD1-CB 3.78Å; L204-H217 PolarHBondContact O-CE1 3.32Å; D205-H217 PolarHBondContact N-NE2 3.25Å; D205-H217 IonicContact OD1-CD2 3.76Å; D205-H217 IonicContact OD1-CE1 3.1Å; D205-H217 IonicContact OD1-NE2 3.71Å; D205-H217 PolarHBondContact OD1-NE2 3.08Å; H217-I219 HydrophobicContact CB-CD1 4.3Å; H217-I219 PolarHBondContact O-N 2.88Å
218K96.1Very high89.4Confident83 Ų8353.4 Ų53.436%0.36128%0.282SS..EExtended strand (participates in β ladder)trans-82.4112.3175.4-176.4179.2178.3-172.20109.8S196 F198 Y220S196-K218 WeakPolarHBondContact OG-CE 3.34Å; F198-K218 HydrophobicContact CD1-CB 4.01Å; F198-K218 HydrophobicContact CD1-CG 4.14Å; F198-K218 HydrophobicContact CE1-CB 3.88Å; F198-K218 HydrophobicContact CE1-CD 3.85Å; F198-K218 HydrophobicContact CE1-CG 3.62Å; F198-K218 HydrophobicContact CZ-CD 4.22Å; F198-K218 HydrophobicContact CZ-CG 4.09Å; K218-Y220 HydrophobicContact CD-CE1 4.05Å; K218-Y220 HydrophobicContact CD-CE2 4.41Å; K218-Y220 HydrophobicContact CG-CE2 4.44Å
219I97.2Very high89.8Confident10 Ų1052.3 Ų52.35%0.05127%0.268CS..EExtended strand (participates in β ladder)trans-94.2115.4174.6-46.5-52.6000108.6L189 C191 S196 V197 V199 L204 H217 A223 I225L189-I219 HydrophobicContact CD2-CB 4.44Å; L189-I219 HydrophobicContact CD2-CG1 4.48Å; L189-I219 HydrophobicContact CD2-CG2 3.89Å; C191-I219 HydrophobicContact CB-CG2 4.04Å; S196-I219 WeakPolarHBondContact CA-O 3.46Å; S196-I219 WeakPolarHBondContact CB-O 3.22Å; V197-I219 PolarHBondContact N-O 3.05Å; V197-I219 PolarHBondContact O-N 3.32Å; V199-I219 HydrophobicContact CB-CG1 4.45Å; V199-I219 HydrophobicContact CG2-CG1 3.75Å; L204-I219 HydrophobicContact CD1-CD1 4.24Å; H217-I219 HydrophobicContact CB-CD1 4.3Å; H217-I219 PolarHBondContact O-N 2.88Å; I219-A223 HydrophobicContact CG2-CB 3.79Å; I219-I225 HydrophobicContact CD1-CG2 3.95Å; I219-I225 HydrophobicContact CG2-CG2 4.23Å
220Y97.4Very high90.4Very high136 Ų13652 Ų5253%0.53326%0.264SS..  trans-73.2155.9-177.8-71.9-84.6000112.1C191 K218 K222 A223C191-Y220 VanDerWaalsContact CB-O 3.29Å; C191-Y220 WeakPolarHBondContact CB-O 3.37Å; K218-Y220 HydrophobicContact CD-CE1 4.05Å; K218-Y220 HydrophobicContact CD-CE2 4.41Å; K218-Y220 HydrophobicContact CG-CE2 4.44Å; Y220-K222 PolarHBondContact O-N 3.22Å; Y220-A223 WeakPolarHBondContact O-CB 2.96Å; Y220-A223 PolarHBondContact O-N 3.39Å; Y220-A223 VanDerWaalsContact O-N 3.1Å
221P97.4Very high91.1Very high46 Ų4654 Ų5430%0.29927%0.271SS..THydrogen-bonded Turntrans-48.4139.4171.7-28.436.9000111.8D194 A223D194-P221 VanDerWaalsContact O-CG 3.23Å; D194-P221 WeakPolarHBondContact O-CG 3.41Å; P221-A223 PolarHBondContact O-N 2.88Å; P221-A223 VanDerWaalsContact O-N 3.09Å
222K95.2Very high92Very high124 Ų12453.4 Ų53.454%0.53926%0.262SS..THydrogen-bonded Turntrans65.1-0.2-178.7-43.2-54.3173.9-158.10115.8C191 Q192 D194 Y220C191-K222 WeakPolarHBondContact O-CA 3.43Å; C191-K222 PolarHBondContact O-N 3.07Å; Q192-K222 PolarHBondContact O-NZ 2.87Å; D194-K222 IonicContact OD1-NZ 2.78Å; D194-K222 PolarHBondContact OD1-NZ 3.44Å; Y220-K222 PolarHBondContact O-N 3.22Å
223A97.5Very high92.8Very high32 Ų3250.9 Ų50.926%0.26425%0.245SC..  trans-66.2145174.200000111.1C191 I219 Y220 P221C191-A223 PolarHBondContact N-O 3.34Å; I219-A223 HydrophobicContact CG2-CB 3.79Å; Y220-A223 WeakPolarHBondContact O-CB 2.96Å; Y220-A223 PolarHBondContact O-N 3.39Å; Y220-A223 VanDerWaalsContact O-N 3.1Å; P221-A223 PolarHBondContact O-N 2.88Å; P221-A223 VanDerWaalsContact O-N 3.09Å
224Y97.8Very high93.8Very high94 Ų9452.5 Ų52.537%0.36925%0.246SC..EExtended strand (participates in β ladder)trans-129.1117.4173.1-175.2-122.9000109.5D180 K182 W188 L189D180-Y224 WeakPolarHBondContact OD2-CE2 3.47Å; D180-Y224 PolarHBondContact OD2-OH 3.1Å; K182-Y224 WeakPolarHBondContact CE-OH 3.35Å; K182-Y224 PolarHBondContact NZ-OH 2.92Å; W188-Y224 HydrophobicContact CB-CE2 3.75Å; W188-Y224 HydrophobicContact CD2-CE1 4.27Å; W188-Y224 AromaticContact CE3-CD1 3.93Å; W188-Y224 HydrophobicContact CE3-CD1 3.93Å; W188-Y224 AromaticContact CE3-CE1 3.63Å; W188-Y224 HydrophobicContact CE3-CE1 3.63Å; W188-Y224 HydrophobicContact CE3-CE2 4.43Å; W188-Y224 HydrophobicContact CE3-CG 4.47Å; W188-Y224 AromaticContact CE3-CZ 3.94Å; W188-Y224 HydrophobicContact CZ3-CD1 4.28Å; W188-Y224 HydrophobicContact CZ3-CE1 4.2Å; L189-Y224 WeakPolarHBondContact O-CA 3.41Å
225I97.8Very high94.7Very high62 Ų6254.4 Ų54.432%0.31825%0.246SC..EExtended strand (participates in β ladder)trans-149.4147.2-169.4-169.4167.5000112.4W188 L189 L204 I219 V227W188-I225 CarbonylContact C-O 3.3Å; W188-I225 WeakPolarHBondContact CA-O 3.38Å; W188-I225 VanDerWaalsContact CE3-C 3.47Å; L189-I225 PolarHBondContact N-O 2.96Å; L189-I225 PolarHBondContact O-N 3.49Å; L204-I225 HydrophobicContact CD2-CD1 3.9Å; L204-I225 HydrophobicContact CD2-CG1 4.29Å; I219-I225 HydrophobicContact CD1-CG2 3.95Å; I219-I225 HydrophobicContact CG2-CG2 4.23Å; I225-V227 HydrophobicContact CG2-CG1 4.14Å; I225-V227 PolarHBondContact O-N 2.9Å
226K97.2Very high94.8Very high26 Ų2654.1 Ų54.111%0.11324%0.242CC..EExtended strand (participates in β ladder)trans-69.7125.7170.7-168.1174.9-171.7174.50109.7D186 W188 Y203 L204 F228 D229D186-K226 VanDerWaalsContact CG-CE 3.45Å; D186-K226 IonicContact OD1-NZ 3.79Å; D186-K226 WeakPolarHBondContact OD2-CE 2.96Å; D186-K226 IonicContact OD2-NZ 2.78Å; D186-K226 PolarHBondContact OD2-NZ 3.31Å; W188-K226 HydrophobicContact CD2-CB 3.95Å; W188-K226 HydrophobicContact CD2-CG 4.49Å; W188-K226 HydrophobicContact CE3-CB 4.21Å; W188-K226 VanDerWaalsContact CE3-N 3.34Å; W188-K226 HydrophobicContact CH2-CB 4.14Å; W188-K226 HydrophobicContact CZ2-CB 3.87Å; W188-K226 HydrophobicContact CZ2-CD 4.27Å; W188-K226 HydrophobicContact CZ2-CG 4.37Å; W188-K226 HydrophobicContact CZ3-CB 4.29Å; Y203-K226 HydrophobicContact CD1-CG 4.32Å; Y203-K226 WeakPolarHBondContact CD1-O 3.4Å; Y203-K226 HydrophobicContact CE1-CB 3.78Å; Y203-K226 HydrophobicContact CE1-CD 4.06Å; Y203-K226 HydrophobicContact CE1-CG 3.79Å; Y203-K226 VanDerWaalsContact CE1-O 3.24Å; Y203-K226 WeakPolarHBondContact CE1-O 3.27Å; Y203-K226 HydrophobicContact CE2-CD 4.32Å; L204-K226 VanDerWaalsContact CD2-O 3.32Å; L204-K226 WeakPolarHBondContact CD2-O 3.2Å; K226-F228 WeakPolarHBondContact CE-O 3.12Å; K226-D229 IonicContact NZ-OD2 3.34Å; K226-D229 PolarHBondContact NZ-OD2 2.91Å
227V96.5Very high94.7Very high0 Ų052.8 Ų52.80%023%0.234CC..EExtended strand (participates in β ladder)trans-114-9.3179.1-63.80000112.5V187 L189 V199 S201 L204 I225 L288V187-V227 HydrophobicContact CB-CG2 4.12Å; V187-V227 HydrophobicContact CG1-CG2 3.93Å; V187-V227 WeakPolarHBondContact O-CG2 3.29Å; V187-V227 PolarHBondContact O-N 3.23Å; L189-V227 HydrophobicContact CB-CB 4.44Å; L189-V227 HydrophobicContact CB-CG1 3.57Å; L189-V227 HydrophobicContact CB-CG2 3.96Å; L189-V227 HydrophobicContact CD1-CG1 4.3Å; V199-V227 HydrophobicContact CG1-CG1 4.48Å; S201-V227 WeakPolarHBondContact CB-O 3.46Å; S201-V227 PolarHBondContact OG-O 2.9Å; L204-V227 HydrophobicContact CD1-CG1 4.11Å; I225-V227 HydrophobicContact CG2-CG1 4.14Å; I225-V227 PolarHBondContact O-N 2.9Å; V227-L288 HydrophobicContact CG2-CD1 3.8Å
228F95.6Very high94.5Very high9 Ų955 Ų554%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-152.3139176.6-177.5-97.5000110.9V187 K226 L230 C233 L285 L288 L316 A319V187-F228 HydrophobicContact CB-CB 3.77Å; V187-F228 HydrophobicContact CG2-CB 3.82Å; V187-F228 HydrophobicContact CG2-CD1 3.97Å; V187-F228 HydrophobicContact CG2-CG 4.22Å; V187-F228 PolarHBondContact N-O 3.28Å; V187-F228 PolarHBondContact O-N 3.39Å; K226-F228 WeakPolarHBondContact CE-O 3.12Å; F228-L230 HydrophobicContact CE1-CB 4.06Å; F228-L230 HydrophobicContact CE1-CD1 3.97Å; F228-L230 HydrophobicContact CZ-CD1 4.35Å; F228-C233 HydrophobicContact CE1-CB 4.37Å; F228-C233 HydrophobicContact CE2-CB 3.63Å; F228-C233 VanDerWaalsContact CE2-SG 3.59Å; F228-C233 HydrophobicContact CZ-CB 3.42Å; F228-C233 VanDerWaalsContact CZ-CB 3.42Å; F228-L285 WeakPolarHBondContact CE2-O 3.32Å; F228-L288 HydrophobicContact CB-CD1 4.16Å; F228-L288 HydrophobicContact CB-CD2 4.42Å; F228-L316 HydrophobicContact CB-CD1 4.07Å; F228-L316 HydrophobicContact CD1-CD1 3.55Å; F228-L316 HydrophobicContact CD2-CD1 3.3Å; F228-L316 HydrophobicContact CE1-CD1 3.67Å; F228-L316 HydrophobicContact CE2-CD1 3.45Å; F228-L316 VanDerWaalsContact CE2-CD1 3.45Å; F228-L316 HydrophobicContact CG-CD1 3.35Å; F228-L316 HydrophobicContact CZ-CD1 3.63Å; F228-A319 HydrophobicContact CE1-CB 4.38Å; F228-A319 HydrophobicContact CZ-CB 3.73Å
229D94.8Very high94.1Very high32 Ų3254.9 Ų54.917%0.17125%0.247CC..  trans-122.7117.6174-176.5-63.5000108.8D186 Y203 K226 R231 Q232 C233D186-D229 WeakPolarHBondContact OD1-CA 3.34Å; Y203-D229 HydrophobicContact CD2-CB 3.49Å; Y203-D229 VanDerWaalsContact CD2-CB 3.49Å; Y203-D229 HydrophobicContact CE2-CB 3.8Å; Y203-D229 HydrophobicContact CG-CB 4.29Å; K226-D229 IonicContact NZ-OD2 3.34Å; K226-D229 PolarHBondContact NZ-OD2 2.91Å; D229-R231 PolarHBondContact O-N 3.42Å; D229-R231 PolarHBondContact OD1-N 3.22Å; D229-Q232 HydrophobicContact CB-CB 3.79Å; D229-Q232 PolarHBondContact O-N 3Å; D229-Q232 WeakPolarHBondContact OD1-CB 3.3Å; D229-Q232 PolarHBondContact OD1-N 2.81Å; D229-C233 WeakPolarHBondContact O-CB 3.5Å; D229-C233 PolarHBondContact O-N 2.88Å
230L94Very high93.5Very high8 Ų856.4 Ų56.44%0.04225%0.254CS..Hα-helixtrans-65.7-42.3-173.6-178.468.3000111.6E184 D186 F228 C233 H234 R318 A319 L322E184-L230 HydrophobicContact CB-CD2 4.1Å; E184-L230 WeakPolarHBondContact O-CD2 3.15Å; D186-L230 PolarHBondContact OD1-N 2.67Å; F228-L230 HydrophobicContact CE1-CB 4.06Å; F228-L230 HydrophobicContact CE1-CD1 3.97Å; F228-L230 HydrophobicContact CZ-CD1 4.35Å; L230-C233 WeakPolarHBondContact O-CB 3.33Å; L230-C233 PolarHBondContact O-N 3.32Å; L230-H234 WeakPolarHBondContact O-CB 3.08Å; L230-H234 PolarHBondContact O-N 2.94Å; L230-R318 HydrophobicContact CD1-CB 4.46Å; L230-R318 HydrophobicContact CD1-CG 4Å; L230-R318 HydrophobicContact CD2-CG 3.65Å; L230-A319 HydrophobicContact CD1-CB 4.09Å; L230-L322 HydrophobicContact CD1-CD1 3.8Å; L230-L322 HydrophobicContact CD2-CD1 4.38Å; L230-L322 HydrophobicContact CG-CD1 4.06Å
231R93.7Very high92.9Very high176 Ų17650.1 Ų50.166%0.66423%0.23SC*.Hα-helixtrans-67.3-40.7-177.8-66.1-179.3176.8-175.9-2.4110.8E184 D229 R235E184-R231 IonicContact OE2-CZ 2.65Å; E184-R231 IonicContact OE2-NE 3.25Å; E184-R231 PolarHBondContact OE2-NE 3.21Å; E184-R231 IonicContact OE2-NH2 3.4Å; E184-R231 PolarHBondContact OE2-NH2 2.78Å; D229-R231 PolarHBondContact O-N 3.42Å; D229-R231 PolarHBondContact OD1-N 3.22Å; R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 PolarHBondContact O-N 3.04Å
232Q91.4Very high92.2Very high27 Ų2750.8 Ų50.813%0.12624%0.24CC..Hα-helixtrans-63.3-43.9174.8-166.4-168.976.900111E207 D229 Q236E207-Q232 PolarHBondContact OE1-NE2 2.9Å; D229-Q232 HydrophobicContact CB-CB 3.79Å; D229-Q232 PolarHBondContact O-N 3Å; D229-Q232 WeakPolarHBondContact OD1-CB 3.3Å; D229-Q232 PolarHBondContact OD1-N 2.81Å; Q232-Q236 WeakPolarHBondContact O-CB 3.32Å; Q232-Q236 PolarHBondContact O-N 3.12Å; Q232-Q236 VanDerWaalsContact O-N 3.07Å
233C92Very high91.5Very high6 Ų646.5 Ų46.54%0.04122%0.224CC..Hα-helixtrans-60.9-50177-171.30000111.3F228 D229 L230 R235 Q236 M237 L285F228-C233 HydrophobicContact CE1-CB 4.37Å; F228-C233 HydrophobicContact CE2-CB 3.63Å; F228-C233 VanDerWaalsContact CE2-SG 3.59Å; F228-C233 HydrophobicContact CZ-CB 3.42Å; F228-C233 VanDerWaalsContact CZ-CB 3.42Å; D229-C233 WeakPolarHBondContact O-CB 3.5Å; D229-C233 PolarHBondContact O-N 2.88Å; L230-C233 WeakPolarHBondContact O-CB 3.33Å; L230-C233 PolarHBondContact O-N 3.32Å; C233-R235 PolarHBondContact O-N 2.74Å; C233-Q236 WeakPolarHBondContact O-CA 3.3Å; C233-Q236 WeakPolarHBondContact O-CB 3.34Å; C233-Q236 PolarHBondContact O-N 2.96Å; C233-Q236 VanDerWaalsContact O-N 3.07Å; C233-M237 WeakPolarHBondContact O-CG 3.28Å; C233-M237 PolarHBondContact O-N 3.27Å; C233-M237 WeakPolarHBondContact SG-CE 3.1Å; C233-L285 PolarHBondContact SG-O 3.03Å
234H93Very high90.6Very high58 Ų5845.4 Ų45.427%0.26922%0.215SC..Hα-helixtrans-59.7-47179.6-176.9-144.8000112.8L230 Q236 M237 L238 L322L230-H234 WeakPolarHBondContact O-CB 3.08Å; L230-H234 PolarHBondContact O-N 2.94Å; H234-Q236 PolarHBondContact O-N 3.22Å; H234-M237 WeakPolarHBondContact O-CB 3.14Å; H234-M237 PolarHBondContact O-N 3.38Å; H234-M237 VanDerWaalsContact O-N 3.13Å; H234-L238 PolarHBondContact O-N 2.94Å; H234-L322 HydrophobicContact CB-CD1 3.85Å
235R91.8Very high89.7Confident139 Ų13946.4 Ų46.453%0.52522%0.223SC..Hα-helixtrans-59.3-37.4175.3-177.4176.360.1117.3-2.2112R231 C233 Q239R231-R235 WeakPolarHBondContact O-CB 3.37Å; R231-R235 PolarHBondContact O-N 3.04Å; C233-R235 PolarHBondContact O-N 2.74Å; R235-Q239 WeakPolarHBondContact O-CB 3.35Å; R235-Q239 PolarHBondContact O-N 3.42Å
236Q88.5Confident88.7Confident7 Ų746.4 Ų46.43%0.03323%0.232CC..Hα-helixtrans-68.4-40.7176.5-179.8174.4-13.700112R206 Q232 C233 H234 L238 Q239 Q240 L285R206-Q236 VanDerWaalsContact CZ-OE1 3.26Å; R206-Q236 VanDerWaalsContact NH2-NE2 3.17Å; Q232-Q236 WeakPolarHBondContact O-CB 3.32Å; Q232-Q236 PolarHBondContact O-N 3.12Å; Q232-Q236 VanDerWaalsContact O-N 3.07Å; C233-Q236 WeakPolarHBondContact O-CA 3.3Å; C233-Q236 WeakPolarHBondContact O-CB 3.34Å; C233-Q236 PolarHBondContact O-N 2.96Å; C233-Q236 VanDerWaalsContact O-N 3.07Å; H234-Q236 PolarHBondContact O-N 3.22Å; Q236-L238 VanDerWaalsContact C-N 3.35Å; Q236-Q239 PolarHBondContact O-N 3.14Å; Q236-Q240 HydrophobicContact CG-CG 4.34Å; Q236-Q240 VanDerWaalsContact NE2-NE2 3.18Å; Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 WeakPolarHBondContact O-CG 3.21Å; Q236-Q240 PolarHBondContact O-N 2.97Å; Q236-L285 HydrophobicContact CB-CD1 4.24Å; Q236-L285 VanDerWaalsContact CD-CD2 3.47Å; Q236-L285 HydrophobicContact CG-CD1 3.72Å; Q236-L285 HydrophobicContact CG-CD2 4.2Å
237M89.1Confident87.5Confident0 Ų045.3 Ų45.30%023%0.228CC..Hα-helixtrans-56.5-51.3174.2-66.9178.6-161.200110.3C233 H234 Q239 Q240 A241 L285 C286 A319 L323 V326C233-M237 WeakPolarHBondContact O-CG 3.28Å; C233-M237 PolarHBondContact O-N 3.27Å; C233-M237 WeakPolarHBondContact SG-CE 3.1Å; H234-M237 WeakPolarHBondContact O-CB 3.14Å; H234-M237 PolarHBondContact O-N 3.38Å; H234-M237 VanDerWaalsContact O-N 3.13Å; M237-Q239 VanDerWaalsContact C-N 3.34Å; M237-Q239 PolarHBondContact O-N 3.14Å; M237-Q240 PolarHBondContact O-N 3.37Å; M237-A241 WeakPolarHBondContact O-CB 3.42Å; M237-A241 PolarHBondContact O-N 3.05Å; M237-L285 HydrophobicContact CB-CD1 4.48Å; M237-L285 HydrophobicContact CE-CB 4.49Å; M237-L285 HydrophobicContact CG-CD1 3.74Å; M237-C286 WeakPolarHBondContact CE-SG 3.13Å; M237-A319 HydrophobicContact CE-CB 4.03Å; M237-A319 WeakPolarHBondContact CE-O 3.49Å; M237-L323 HydrophobicContact CE-CB 4.39Å; M237-L323 HydrophobicContact SD-CB 3.84Å; M237-L323 HydrophobicContact SD-CD1 4.34Å; M237-V326 HydrophobicContact CB-CG2 4.44Å
238L90.7Very high86.4Confident81 Ų8147.9 Ų47.942%0.42425%0.249SC..Hα-helixtrans-58.8-41.8178.3-70.9169.2000112.7H234 Q236 A241 A242 V326H234-L238 PolarHBondContact O-N 2.94Å; Q236-L238 VanDerWaalsContact C-N 3.35Å; L238-A241 WeakPolarHBondContact O-CB 3.47Å; L238-A242 WeakPolarHBondContact O-CB 3.26Å; L238-A242 PolarHBondContact O-N 3.45Å; L238-V326 HydrophobicContact CD2-CG1 4.5Å; L238-V326 HydrophobicContact CD2-CG2 3.74Å; L238-V326 HydrophobicContact CG-CG2 4.21Å
239Q86.8Confident85.4Confident80 Ų8050 Ų5037%0.37427%0.268SS..Hα-helixtrans-66.7-42.6178.3-174.5-179.97.100112.1R235 Q236 M237 T243R235-Q239 WeakPolarHBondContact O-CB 3.35Å; R235-Q239 PolarHBondContact O-N 3.42Å; Q236-Q239 PolarHBondContact O-N 3.14Å; M237-Q239 VanDerWaalsContact C-N 3.34Å; M237-Q239 PolarHBondContact O-N 3.14Å; Q239-T243 WeakPolarHBondContact O-CB 3.37Å; Q239-T243 PolarHBondContact O-N 2.88Å; Q239-T243 VanDerWaalsContact O-N 3.08Å; Q239-T243 PolarHBondContact O-OG1 3.37Å
240Q84.9Confident84.3Confident41 Ų4149.7 Ų49.719%0.19227%0.27CS..Hα-helixtrans-66.9-45.7178.3-76.2-173.2-6.300110.6Q236 M237 T243 A244 I277 L282Q236-Q240 HydrophobicContact CG-CG 4.34Å; Q236-Q240 VanDerWaalsContact NE2-NE2 3.18Å; Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 WeakPolarHBondContact O-CG 3.21Å; Q236-Q240 PolarHBondContact O-N 2.97Å; M237-Q240 PolarHBondContact O-N 3.37Å; Q240-T243 WeakPolarHBondContact O-CB 3.48Å; Q240-T243 PolarHBondContact O-N 3.12Å; Q240-A244 PolarHBondContact O-N 3.02Å; Q240-I277 HydrophobicContact CB-CD1 4.09Å; Q240-I277 HydrophobicContact CB-CG2 3.77Å; Q240-I277 HydrophobicContact CG-CD1 4.31Å; Q240-I277 WeakPolarHBondContact O-CD1 3.45Å; Q240-L282 HydrophobicContact CB-CD2 3.5Å; Q240-L282 VanDerWaalsContact CB-CD2 3.5Å
241A85.1Confident83.2Confident4 Ų451.5 Ų51.53%0.03328%0.279CS..Hα-helixtrans-50.5-57.6169.800000112.5M237 L238 T243 A244 H245 V326 M330M237-A241 WeakPolarHBondContact O-CB 3.42Å; M237-A241 PolarHBondContact O-N 3.05Å; L238-A241 WeakPolarHBondContact O-CB 3.47Å; A241-T243 PolarHBondContact O-N 3.48Å; A241-A244 WeakPolarHBondContact O-CB 3.5Å; A241-A244 PolarHBondContact O-N 3.36Å; A241-H245 PolarHBondContact O-N 3.18Å; A241-V326 HydrophobicContact CB-CG1 3.66Å; A241-M330 HydrophobicContact CB-CE 3.78Å; A241-M330 HydrophobicContact CB-SD 3.19Å; A241-M330 WeakPolarHBondContact CB-SD 3.43Å; A241-M330 WeakPolarHBondContact O-CE 2.85Å
242A83.7Confident82.1Confident60 Ų6046.1 Ų46.150%0.49627%0.271SS..Hα-helixtrans-57.8-37.7-18000000112.6L238 H245 A246L238-A242 WeakPolarHBondContact O-CB 3.26Å; L238-A242 PolarHBondContact O-N 3.45Å; A242-H245 PolarHBondContact O-N 2.78Å; A242-A246 WeakPolarHBondContact O-CB 3.22Å; A242-A246 PolarHBondContact O-N 3.43Å
243T79.9Confident81.1Confident34 Ų3446.7 Ų46.721%0.20928%0.281CS..Hα-helixtrans-65.9-43.5176.2-55.40000111.5Q239 Q240 A241 A247 A273 I277Q239-T243 WeakPolarHBondContact O-CB 3.37Å; Q239-T243 PolarHBondContact O-N 2.88Å; Q239-T243 VanDerWaalsContact O-N 3.08Å; Q239-T243 PolarHBondContact O-OG1 3.37Å; Q240-T243 WeakPolarHBondContact O-CB 3.48Å; Q240-T243 PolarHBondContact O-N 3.12Å; A241-T243 PolarHBondContact O-N 3.48Å; T243-A247 VanDerWaalsContact O-CB 3.22Å; T243-A247 WeakPolarHBondContact O-CB 3.46Å; T243-A247 PolarHBondContact O-N 3.07Å; T243-A273 HydrophobicContact CG2-CB 3.73Å; T243-I277 HydrophobicContact CG2-CD1 3.91Å
244A78.3Confident79.8Confident9 Ų947.6 Ų47.67%0.07429%0.289CS..Hα-helixtrans-61.1-46.1175.900000111.4Q240 A241 A247 A248 I277 M330 L333Q240-A244 PolarHBondContact O-N 3.02Å; A241-A244 WeakPolarHBondContact O-CB 3.5Å; A241-A244 PolarHBondContact O-N 3.36Å; A244-A247 PolarHBondContact O-N 2.9Å; A244-A248 WeakPolarHBondContact O-CB 3.41Å; A244-A248 PolarHBondContact O-N 3.2Å; A244-I277 HydrophobicContact CB-CB 4Å; A244-I277 HydrophobicContact CB-CG2 4.02Å; A244-M330 HydrophobicContact CB-CE 4.49Å; A244-L333 HydrophobicContact CB-CD1 4.22Å
245H78.2Confident78.5Confident115 Ų11549.8 Ų49.853%0.53231%0.306SS..Hα-helixtrans-64.3-47.9179-174.8-97.8000112.7A241 A242 A247 A248 A249 M330A241-H245 PolarHBondContact O-N 3.18Å; A242-H245 PolarHBondContact O-N 2.78Å; H245-A247 PolarHBondContact O-N 2.93Å; H245-A248 PolarHBondContact O-N 3.29Å; H245-A249 PolarHBondContact O-N 3.01Å; H245-M330 HydrophobicContact CB-CE 3.73Å
246A76.6Confident77.5Confident62 Ų6246.4 Ų46.451%0.51231%0.308SS..Hα-helixtrans-59.2-36.8177.700000111.8A242 A250A242-A246 WeakPolarHBondContact O-CB 3.22Å; A242-A246 PolarHBondContact O-N 3.43Å; A246-A250 PolarHBondContact O-N 2.91Å
247A72.7Confident76.2Confident4 Ų448.9 Ų48.93%0.03334%0.335CS..Hα-helixtrans-80.7-33.1-178.600000112.9T243 A244 H245 A249 A250 Q251 A270 A274T243-A247 VanDerWaalsContact O-CB 3.22Å; T243-A247 WeakPolarHBondContact O-CB 3.46Å; T243-A247 PolarHBondContact O-N 3.07Å; A244-A247 PolarHBondContact O-N 2.9Å; H245-A247 PolarHBondContact O-N 2.93Å; A247-A249 VanDerWaalsContact C-N 3.33Å; A247-A250 PolarHBondContact O-N 3.07Å; A247-Q251 WeakPolarHBondContact O-CB 3.48Å; A247-Q251 PolarHBondContact O-N 2.88Å; A247-A270 WeakPolarHBondContact CB-O 3.36Å; A247-A274 HydrophobicContact CB-CB 3.13Å
248A73.9Confident74.9Confident53 Ų5355.4 Ų55.444%0.43837%0.369SS..Hα-helixtrans-61.3-41.8167.400000111.6A244 H245 A250 Q251 A252A244-A248 WeakPolarHBondContact O-CB 3.41Å; A244-A248 PolarHBondContact O-N 3.2Å; H245-A248 PolarHBondContact O-N 3.29Å; A248-A250 PolarHBondContact O-N 3.17Å; A248-Q251 WeakPolarHBondContact O-CB 3.49Å; A248-Q251 PolarHBondContact O-N 3.27Å; A248-A252 PolarHBondContact O-N 3.33Å
249A74.2Confident73.3Confident53 Ų5354.2 Ų54.244%0.43837%0.367SS..Hα-helixtrans-62.5-40.9173.500000112.1H245 A247 Q251 A252 A253H245-A249 PolarHBondContact O-N 3.01Å; A247-A249 VanDerWaalsContact C-N 3.33Å; A249-Q251 VanDerWaalsContact C-N 3.35Å; A249-A252 PolarHBondContact O-N 3.2Å; A249-A253 PolarHBondContact O-N 3.05Å
250A71.4Confident71.9Confident27 Ų2759.8 Ų59.822%0.22339%0.385CS..Hα-helixtrans-64.1-38.9174.600000112.4A246 A247 A248 A253 A254 A270A246-A250 PolarHBondContact O-N 2.91Å; A247-A250 PolarHBondContact O-N 3.07Å; A248-A250 PolarHBondContact O-N 3.17Å; A250-A253 PolarHBondContact O-N 2.9Å; A250-A254 WeakPolarHBondContact O-CB 3.26Å; A250-A254 PolarHBondContact O-N 3.14Å; A250-A270 HydrophobicContact CB-CB 4.24Å
251Q71.5Confident70.7Confident46 Ų4665.4 Ų65.422%0.21542%0.416CS..Hα-helixtrans-63.6-45174.6-173.6174.9-24.200111.3T39 S41 A247 A248 A249 A253 A254 V255 L271T39-Q251 HydrophobicContact CG2-CG 4.31Å; T39-Q251 VanDerWaalsContact O-CG 3.31Å; T39-Q251 WeakPolarHBondContact O-CG 3.16Å; T39-Q251 PolarHBondContact O-NE2 3.45Å; S41-Q251 PolarHBondContact OG-NE2 3.38Å; A247-Q251 WeakPolarHBondContact O-CB 3.48Å; A247-Q251 PolarHBondContact O-N 2.88Å; A248-Q251 WeakPolarHBondContact O-CB 3.49Å; A248-Q251 PolarHBondContact O-N 3.27Å; A249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-A253 PolarHBondContact O-N 3.42Å; Q251-A254 WeakPolarHBondContact O-CB 3.39Å; Q251-A254 PolarHBondContact O-N 2.92Å; Q251-V255 WeakPolarHBondContact O-CG2 3.42Å; Q251-V255 PolarHBondContact O-N 3.24Å; Q251-L271 HydrophobicContact CB-CD2 3.79Å; Q251-L271 HydrophobicContact CG-CD2 4.09Å
252A71Confident69.5Low62 Ų6269 Ų6951%0.51245%0.453SS..Hα-helixtrans-60.5-43.1175.700000112.2A248 A249 A254 V255 A256A248-A252 PolarHBondContact O-N 3.33Å; A249-A252 PolarHBondContact O-N 3.2Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.44Å; A252-V255 PolarHBondContact O-N 3.3Å; A252-A256 WeakPolarHBondContact O-CB 3.36Å; A252-A256 PolarHBondContact O-N 2.97Å
253A70.2Confident68.9Low39 Ų3970.6 Ų70.632%0.32245%0.451SS..Hα-helixtrans-63.8-35.2175.800000112.8A249 A250 Q251 A256 L258A249-A253 PolarHBondContact O-N 3.05Å; A250-A253 PolarHBondContact O-N 2.9Å; Q251-A253 PolarHBondContact O-N 3.42Å; A253-A256 PolarHBondContact O-N 2.91Å; A253-L258 HydrophobicContact CB-CD1 4.46Å; A253-L258 PolarHBondContact O-N 2.91Å
254A63.8Low68.5Low25 Ų2570.6 Ų70.621%0.20745%0.451CS..Hα-helixtrans-67.8-44.1176.400000112T39 A250 Q251 A252 A256 G257T39-A254 HydrophobicContact CG2-CB 3.95Å; A250-A254 WeakPolarHBondContact O-CB 3.26Å; A250-A254 PolarHBondContact O-N 3.14Å; Q251-A254 WeakPolarHBondContact O-CB 3.39Å; Q251-A254 PolarHBondContact O-N 2.92Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.44Å; A254-A256 VanDerWaalsContact C-N 3.25Å; A254-A256 PolarHBondContact O-N 3.36Å; A254-G257 PolarHBondContact O-N 3.13Å; A254-G257 VanDerWaalsContact O-N 3.15Å
255V66Low68.1Low105 Ų10573.8 Ų73.864%0.63647%0.466SS*.Hα-helixtrans-61.5-36.1174.8175.80000111.3T39 Q251 A252 G257T39-V255 HydrophobicContact CG2-CG2 3.58Å; Q251-V255 WeakPolarHBondContact O-CG2 3.42Å; Q251-V255 PolarHBondContact O-N 3.24Å; A252-V255 PolarHBondContact O-N 3.3Å; V255-G257 PolarHBondContact O-N 2.8Å
256A70.6Confident67.7Low68 Ų6875 Ų7556%0.56247%0.47SS*.THydrogen-bonded Turntrans-73.11.5177.700000114.7A252 A253 A254 L258A252-A256 WeakPolarHBondContact O-CB 3.36Å; A252-A256 PolarHBondContact O-N 2.97Å; A253-A256 PolarHBondContact O-N 2.91Å; A254-A256 VanDerWaalsContact C-N 3.25Å; A254-A256 PolarHBondContact O-N 3.36Å; A256-L258 HydrophobicContact CB-CD1 4.16Å; A256-L258 HydrophobicContact CB-CG 4.16Å; A256-L258 PolarHBondContact O-N 3.27Å
257G62.5Low67.5Low59 Ų5973.9 Ų73.961%0.60845%0.453SS*.THydrogen-bonded Turntrans70.714.8177.800000114.5A254 V255 C259A254-G257 PolarHBondContact O-N 3.13Å; A254-G257 VanDerWaalsContact O-N 3.15Å; V255-G257 PolarHBondContact O-N 2.8Å; G257-C259 PolarHBondContact O-N 3.29Å
258L61.4Low67.5Low136 Ų13673.8 Ų73.871%0.71245%0.452SS*.  trans-74.410.6178.1-62.2170000113A253 A256A253-L258 HydrophobicContact CB-CD1 4.46Å; A253-L258 PolarHBondContact O-N 2.91Å; A256-L258 HydrophobicContact CB-CD1 4.16Å; A256-L258 HydrophobicContact CB-CG 4.16Å; A256-L258 PolarHBondContact O-N 3.27Å
259C56.7Low67.5Low56 Ų5673.8 Ų73.838%0.37845%0.445SS..  trans-85.9128.7-175.2172.40000111.8G257 F267G257-C259 PolarHBondContact O-N 3.29Å; C259-F267 HydrophobicContact CB-CE2 4.03Å; C259-F267 HydrophobicContact CB-CZ 4.02Å; C259-F267 WeakPolarHBondContact SG-CE2 3.34Å
260R58.3Low67.3Low197 Ų19772.4 Ų72.474%0.74343%0.433SS*.  trans-90.5136.4168.1-63.7-175.7-177.7-163.80.6109.8G262 Q263R260-G262 PolarHBondContact O-N 3.35Å; R260-Q263 PolarHBondContact O-N 3.18Å
261N57.8Low67.2Low159 Ų15971.5 Ų71.585%0.8542%0.424SS*.G310 helixtrans-48.6-24-177.3-73.3-16.2000115.6
262G61.6Low67Low79 Ų7969.3 Ų69.381%0.81441%0.414SS*.G310 helixtrans-83.9-1.4-179.200000116.5R260R260-G262 PolarHBondContact O-N 3.35Å
263Q69.3Low66.5Low94 Ų9468 Ų6844%0.43940%0.403SS..G310 helixtrans-110.212.4-169.3-77-178-8.300115.1R260 I265 F266 F267R260-Q263 PolarHBondContact O-N 3.18Å; Q263-I265 VanDerWaalsContact C-N 3.28Å; Q263-I265 PolarHBondContact O-N 2.92Å; Q263-I265 VanDerWaalsContact O-N 3.12Å; Q263-F266 WeakPolarHBondContact O-CB 3.29Å; Q263-F266 PolarHBondContact O-N 3.44Å; Q263-F267 HydrophobicContact CB-CD2 3.79Å; Q263-F267 HydrophobicContact CB-CE2 3.15Å; Q263-F267 HydrophobicContact CB-CZ 3.72Å; Q263-F267 HydrophobicContact CG-CE2 4.44Å; Q263-F267 WeakPolarHBondContact O-CD2 3.38Å; Q263-F267 PolarHBondContact O-N 2.82Å
264V71.6Confident65.9Low35 Ų3567 Ų6721%0.21240%0.395CS..Hα-helixtrans-49.6-42.4-177.2-179.50000113.8I21 L31 I35 F267 L268I21-V264 HydrophobicContact CD1-CG1 4.5Å; L31-V264 HydrophobicContact CD1-CG1 4.43Å; I35-V264 HydrophobicContact CD1-CG1 3.96Å; V264-F267 PolarHBondContact O-N 3.3Å; V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 HydrophobicContact CG1-CG 4.37Å; V264-L268 PolarHBondContact O-N 2.99Å
265I70.6Confident65.6Low76 Ų7667.1 Ų67.139%0.3940%0.396SS..Hα-helixtrans-61.7-46.6178-65.6168.6000111E18 I21 Q263 F267 L269E18-I265 HydrophobicContact CG-CG2 4.34Å; I21-I265 HydrophobicContact CD1-CB 4.26Å; I21-I265 HydrophobicContact CD1-CG1 3.45Å; I21-I265 VanDerWaalsContact CD1-CG1 3.45Å; Q263-I265 VanDerWaalsContact C-N 3.28Å; Q263-I265 PolarHBondContact O-N 2.92Å; Q263-I265 VanDerWaalsContact O-N 3.12Å; I265-F267 VanDerWaalsContact C-N 3.31Å; I265-F267 PolarHBondContact O-N 3.41Å; I265-L269 VanDerWaalsContact O-CB 3.29Å; I265-L269 WeakPolarHBondContact O-CB 3Å; I265-L269 PolarHBondContact O-N 2.87Å; I265-L269 VanDerWaalsContact O-N 3.07Å
266F70.8Confident65.1Low140 Ų14062.5 Ų62.561%0.61437%0.37SS*.Hα-helixtrans-62.3-42.3179.9-177.2-94.8000110.5Q263 L269 A270Q263-F266 WeakPolarHBondContact O-CB 3.29Å; Q263-F266 PolarHBondContact O-N 3.44Å; F266-L269 PolarHBondContact O-N 3.23Å; F266-A270 WeakPolarHBondContact O-CB 3.37Å; F266-A270 PolarHBondContact O-N 3.21Å
267F71.2Confident64.9Low39 Ų3960.5 Ų60.517%0.17135%0.349CS..Hα-helixtrans-65.9-49.4178.3-63.4-59000113.3C259 Q263 V264 I265 L269 A270 L271C259-F267 HydrophobicContact CB-CE2 4.03Å; C259-F267 HydrophobicContact CB-CZ 4.02Å; C259-F267 WeakPolarHBondContact SG-CE2 3.34Å; Q263-F267 HydrophobicContact CB-CD2 3.79Å; Q263-F267 HydrophobicContact CB-CE2 3.15Å; Q263-F267 HydrophobicContact CB-CZ 3.72Å; Q263-F267 HydrophobicContact CG-CE2 4.44Å; Q263-F267 WeakPolarHBondContact O-CD2 3.38Å; Q263-F267 PolarHBondContact O-N 2.82Å; V264-F267 PolarHBondContact O-N 3.3Å; I265-F267 VanDerWaalsContact C-N 3.31Å; I265-F267 PolarHBondContact O-N 3.41Å; F267-L269 PolarHBondContact O-N 3.39Å; F267-A270 PolarHBondContact O-N 3.48Å; F267-A270 VanDerWaalsContact O-N 3.17Å; F267-L271 WeakPolarHBondContact O-CB 3.35Å; F267-L271 WeakPolarHBondContact O-CG 3.44Å; F267-L271 PolarHBondContact O-N 3.38Å
268L74Confident65.3Low2 Ų259 Ų591%0.0133%0.334CS..Hα-helixtrans-62.5-31.5178.6-74.8175.6000112.1I17 I21 L31 I35 I38 W76 V264 S272I17-L268 HydrophobicContact CG2-CB 3.73Å; I17-L268 HydrophobicContact CG2-CD1 4.24Å; I21-L268 HydrophobicContact CD1-CD1 3.9Å; I21-L268 HydrophobicContact CG1-CD1 3.99Å; L31-L268 HydrophobicContact CD1-CD1 4.46Å; I35-L268 HydrophobicContact CG1-CD2 4.34Å; I38-L268 HydrophobicContact CD1-CD2 3.52Å; W76-L268 HydrophobicContact CZ2-CB 4.33Å; W76-L268 HydrophobicContact CZ2-CD2 4.24Å; W76-L268 PolarHBondContact NE1-O 2.74Å; W76-L268 VanDerWaalsContact NE1-O 3.12Å; V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 HydrophobicContact CG1-CG 4.37Å; V264-L268 PolarHBondContact O-N 2.99Å; L268-S272 WeakPolarHBondContact O-CB 2.82Å; L268-S272 PolarHBondContact O-N 2.97Å
269L73.1Confident65.8Low53 Ų5355 Ų5528%0.27732%0.315SS..Hα-helixtrans-71.6-43.8174.3-171.965.5000112R13 R14 I17 I265 F266 F267 S272 A273R13-L269 HydrophobicContact CB-CD1 4.46Å; R14-L269 HydrophobicContact CB-CD1 4.17Å; I17-L269 HydrophobicContact CD1-CB 4.31Å; I17-L269 HydrophobicContact CD1-CD1 3.93Å; I265-L269 VanDerWaalsContact O-CB 3.29Å; I265-L269 WeakPolarHBondContact O-CB 3Å; I265-L269 PolarHBondContact O-N 2.87Å; I265-L269 VanDerWaalsContact O-N 3.07Å; F266-L269 PolarHBondContact O-N 3.23Å; F267-L269 PolarHBondContact O-N 3.39Å; L269-S272 WeakPolarHBondContact O-CB 3.47Å; L269-S272 PolarHBondContact O-N 3.37Å; L269-A273 PolarHBondContact O-N 3.48Å
270A70.6Confident66.7Low23 Ų2357.8 Ų57.819%0.1933%0.326CS..Hα-helixtrans-62.3-44.4175.600000111.7A247 A250 F266 F267 S272 A273 A274A247-A270 WeakPolarHBondContact CB-O 3.36Å; A250-A270 HydrophobicContact CB-CB 4.24Å; F266-A270 WeakPolarHBondContact O-CB 3.37Å; F266-A270 PolarHBondContact O-N 3.21Å; F267-A270 PolarHBondContact O-N 3.48Å; F267-A270 VanDerWaalsContact O-N 3.17Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.68Å; A270-A273 VanDerWaalsContact O-CB 3.29Å; A270-A273 WeakPolarHBondContact O-CB 3.43Å; A270-A273 PolarHBondContact O-N 3.04Å; A270-A274 PolarHBondContact O-N 3.41Å
271L69.6Low67.7Low8 Ų850.1 Ų50.14%0.04230%0.3CS..Hα-helixtrans-67.3-32.8177.5-68.2169000112.2I38 Q251 F267 A273 A274 A275I38-L271 HydrophobicContact CB-CD1 4.37Å; I38-L271 HydrophobicContact CG2-CB 3.53Å; I38-L271 HydrophobicContact CG2-CD1 3.73Å; I38-L271 HydrophobicContact CG2-CD2 4.5Å; I38-L271 HydrophobicContact CG2-CG 4.11Å; Q251-L271 HydrophobicContact CB-CD2 3.79Å; Q251-L271 HydrophobicContact CG-CD2 4.09Å; F267-L271 WeakPolarHBondContact O-CB 3.35Å; F267-L271 WeakPolarHBondContact O-CG 3.44Å; F267-L271 PolarHBondContact O-N 3.38Å; L271-A273 PolarHBondContact O-N 2.68Å; L271-A274 WeakPolarHBondContact O-CB 3.3Å; L271-A274 PolarHBondContact O-N 3.32Å; L271-A275 VanDerWaalsContact O-CB 3.22Å; L271-A275 WeakPolarHBondContact O-CB 3.11Å; L271-A275 PolarHBondContact O-N 2.73Å; L271-A275 VanDerWaalsContact O-N 3.08Å
272S66.8Low69Low1 Ų142.5 Ų42.51%0.00726%0.259CS..Hα-helixtrans-63.5-28.9171173.20000112.8R13 I75 L268 L269 A270R13-S272 PolarHBondContact NH1-O 3.37Å; R13-S272 PolarHBondContact NH1-OG 2.87Å; I75-S272 WeakPolarHBondContact CG2-OG 3.47Å; I75-S272 WeakPolarHBondContact O-CA 3.48Å; I75-S272 WeakPolarHBondContact O-CB 3.15Å; I75-S272 PolarHBondContact O-OG 2.74Å; L268-S272 WeakPolarHBondContact O-CB 2.82Å; L268-S272 PolarHBondContact O-N 2.97Å; L269-S272 WeakPolarHBondContact O-CB 3.47Å; L269-S272 PolarHBondContact O-N 3.37Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.68Å
273A61.2Low70.1Confident33 Ų3343.8 Ų43.827%0.27324%0.239SC..Hα-helixtrans-72.1-36.4175.800000111.8T243 L269 A270 L271T243-A273 HydrophobicContact CG2-CB 3.73Å; L269-A273 PolarHBondContact O-N 3.48Å; A270-A273 VanDerWaalsContact O-CB 3.29Å; A270-A273 WeakPolarHBondContact O-CB 3.43Å; A270-A273 PolarHBondContact O-N 3.04Å; L271-A273 PolarHBondContact O-N 2.68Å
274A56.5Low70.9Confident20 Ų2042.5 Ų42.517%0.16523%0.23CC..Hα-helixtrans-65.2-43.5174.900000112.9A247 A270 L271 G276 I277A247-A274 HydrophobicContact CB-CB 3.13Å; A270-A274 PolarHBondContact O-N 3.41Å; L271-A274 WeakPolarHBondContact O-CB 3.3Å; L271-A274 PolarHBondContact O-N 3.32Å; A274-G276 PolarHBondContact O-N 3.34Å; A274-I277 PolarHBondContact O-N 2.92Å
275A57.8Low71.7Confident26 Ų2641 Ų4122%0.21522%0.221CC..THydrogen-bonded Turntrans-55.3-14-152.100000117.6W76 R77 L271W76-A275 HydrophobicContact CB-CB 4.3Å; W76-A275 WeakPolarHBondContact O-CB 3.27Å; R77-A275 CarbonylContact C-O 3.53Å; R77-A275 VanDerWaalsContact C-O 3.3Å; R77-A275 WeakPolarHBondContact CA-O 3.37Å; L271-A275 VanDerWaalsContact O-CB 3.22Å; L271-A275 WeakPolarHBondContact O-CB 3.11Å; L271-A275 PolarHBondContact O-N 2.73Å; L271-A275 VanDerWaalsContact O-N 3.08Å
276G55.9Low72.7Confident9 Ų937.3 Ų37.39%0.09320%0.202CC..THydrogen-bonded Turntrans-153.242.2179.500000113.4R77 A274 D281R77-G276 WeakPolarHBondContact O-CA 3.24Å; A274-G276 PolarHBondContact O-N 3.34Å; G276-D281 VanDerWaalsContact O-OD2 3.05Å
277I66.6Low73.6Confident26 Ų2631.2 Ų31.213%0.13318%0.176CC..  trans-115.580.8164.2-53.7176.3000107.1Q240 T243 A244 A274 L282Q240-I277 HydrophobicContact CB-CD1 4.09Å; Q240-I277 HydrophobicContact CB-CG2 3.77Å; Q240-I277 HydrophobicContact CG-CD1 4.31Å; Q240-I277 WeakPolarHBondContact O-CD1 3.45Å; T243-I277 HydrophobicContact CG2-CD1 3.91Å; A244-I277 HydrophobicContact CB-CB 4Å; A244-I277 HydrophobicContact CB-CG2 4.02Å; A274-I277 PolarHBondContact O-N 2.92Å; I277-L282 HydrophobicContact CG2-CD2 4.05Å; I277-L282 HydrophobicContact CG2-CG 4.3Å
278G69.3Low74.6Confident27 Ų2729.4 Ų29.428%0.27817%0.168SC..  trans-91.1175.2168.200000112D280 D281 L282G278-D280 PolarHBondContact O-N 3.18Å; G278-D281 PolarHBondContact N-OD2 3.43Å; G278-D281 WeakPolarHBondContact O-CB 3.42Å; G278-D281 PolarHBondContact O-N 3.27Å; G278-L282 PolarHBondContact O-N 3.39Å
279V73Confident75.6Confident53 Ų5331.2 Ų31.232%0.32118%0.175SC..Hα-helixtrans-55.3-37.1173.1179.40000111.1L282 R283 L327 L333V279-L282 PolarHBondContact O-N 3.14Å; V279-R283 WeakPolarHBondContact O-CB 3.26Å; V279-R283 PolarHBondContact O-N 3.23Å; V279-L327 HydrophobicContact CG1-CD1 3.86Å; V279-L327 HydrophobicContact CG1-CD2 4.46Å; V279-L327 HydrophobicContact CG2-CD2 3.99Å; V279-L333 WeakPolarHBondContact CG2-O 3.46Å
280D74.7Confident76.6Confident114 Ų11428.7 Ų28.761%0.6116%0.162SC*.Hα-helixtrans-65.4-36.2176.2-71.1-60.1000113.5G278 R283 R284G278-D280 PolarHBondContact O-N 3.18Å; D280-R283 PolarHBondContact O-N 3.15Å; D280-R284 VanDerWaalsContact O-CG 3.28Å; D280-R284 WeakPolarHBondContact O-CG 3.26Å; D280-R284 PolarHBondContact O-N 3.12Å
281D79.2Confident77.7Confident35 Ų3527.6 Ų27.619%0.18715%0.153CC..Hα-helixtrans-67.3-40.9177.5-65.1-68000111G276 G278 R284G276-D281 VanDerWaalsContact O-OD2 3.05Å; G278-D281 PolarHBondContact N-OD2 3.43Å; G278-D281 WeakPolarHBondContact O-CB 3.42Å; G278-D281 PolarHBondContact O-N 3.27Å; D281-R284 PolarHBondContact O-N 2.99Å
282L84.7Confident78.9Confident0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-66.2-41.9173.7-60.6176.4000111.3Q240 I277 G278 V279 R284 L285 L323 L327Q240-L282 HydrophobicContact CB-CD2 3.5Å; Q240-L282 VanDerWaalsContact CB-CD2 3.5Å; I277-L282 HydrophobicContact CG2-CD2 4.05Å; I277-L282 HydrophobicContact CG2-CG 4.3Å; G278-L282 PolarHBondContact O-N 3.39Å; V279-L282 PolarHBondContact O-N 3.14Å; L282-R284 VanDerWaalsContact C-N 3.27Å; L282-R284 PolarHBondContact O-N 3.06Å; L282-L285 VanDerWaalsContact O-CB 3.26Å; L282-L285 WeakPolarHBondContact O-CB 3.29Å; L282-L285 WeakPolarHBondContact O-CG 3.24Å; L282-L285 PolarHBondContact O-N 2.84Å; L282-L285 VanDerWaalsContact O-N 3.08Å; L282-L323 HydrophobicContact CB-CD1 3.44Å; L282-L323 VanDerWaalsContact CB-CD1 3.44Å; L282-L323 HydrophobicContact CB-CD2 4.32Å; L282-L323 HydrophobicContact CD1-CD1 3.9Å; L282-L323 HydrophobicContact CG-CD1 4.28Å; L282-L327 HydrophobicContact CD1-CD2 4.02Å
283R85.4Confident80.1Confident105 Ų10528.2 Ų28.240%0.39616%0.156SC..Hα-helixtrans-59.6-37.4177.3-170.8-175.7178.1107.63.4112V279 D280 L285 C286 I287 L320 L323V279-R283 WeakPolarHBondContact O-CB 3.26Å; V279-R283 PolarHBondContact O-N 3.23Å; D280-R283 PolarHBondContact O-N 3.15Å; R283-L285 PolarHBondContact O-N 2.69Å; R283-C286 WeakPolarHBondContact O-CB 3.29Å; R283-C286 PolarHBondContact O-N 2.97Å; R283-I287 HydrophobicContact CG-CD1 4.21Å; R283-L320 HydrophobicContact CG-CD2 4.08Å; R283-L323 HydrophobicContact CB-CD2 4.03Å
284R87.4Confident81.6Confident67 Ų6731 Ų3125%0.25316%0.162SC..Hα-helixtrans-58.7-29.6177.3-73165.5-172.8-13215.7112.9D80 Y202 D280 D281 L282 C286 I287D80-R284 IonicContact OD2-CZ 3.7Å; D80-R284 VanDerWaalsContact OD2-CZ 3.27Å; D80-R284 IonicContact OD2-NH1 2.69Å; D80-R284 PolarHBondContact OD2-NH1 2.7Å; D80-R284 IonicContact OD2-NH2 3.06Å; D80-R284 PolarHBondContact OD2-NH2 2.76Å; Y202-R284 HydrophobicContact CE2-CB 4.18Å; Y202-R284 WeakPolarHBondContact CE2-O 3.36Å; D280-R284 VanDerWaalsContact O-CG 3.28Å; D280-R284 WeakPolarHBondContact O-CG 3.26Å; D280-R284 PolarHBondContact O-N 3.12Å; D281-R284 PolarHBondContact O-N 2.99Å; L282-R284 VanDerWaalsContact C-N 3.27Å; L282-R284 PolarHBondContact O-N 3.06Å; R284-C286 PolarHBondContact O-N 2.94Å; R284-I287 PolarHBondContact O-N 3.36Å
285L88.5Confident83.3Confident3 Ų330.1 Ų30.12%0.01616%0.155CC..THydrogen-bonded Turntrans-62.9-24.7175.5-54.7179.7000112.7Y202 F228 C233 Q236 M237 L282 R283 I287Y202-L285 HydrophobicContact CD1-CD2 3.95Å; Y202-L285 HydrophobicContact CD2-CD2 4.15Å; Y202-L285 HydrophobicContact CE1-CD2 4.01Å; Y202-L285 HydrophobicContact CE2-CD2 4.25Å; Y202-L285 HydrophobicContact CG-CD2 3.99Å; F228-L285 WeakPolarHBondContact CE2-O 3.32Å; C233-L285 PolarHBondContact SG-O 3.03Å; Q236-L285 HydrophobicContact CB-CD1 4.24Å; Q236-L285 VanDerWaalsContact CD-CD2 3.47Å; Q236-L285 HydrophobicContact CG-CD1 3.72Å; Q236-L285 HydrophobicContact CG-CD2 4.2Å; M237-L285 HydrophobicContact CB-CD1 4.48Å; M237-L285 HydrophobicContact CE-CB 4.49Å; M237-L285 HydrophobicContact CG-CD1 3.74Å; L282-L285 VanDerWaalsContact O-CB 3.26Å; L282-L285 WeakPolarHBondContact O-CB 3.29Å; L282-L285 WeakPolarHBondContact O-CG 3.24Å; L282-L285 PolarHBondContact O-N 2.84Å; L282-L285 VanDerWaalsContact O-N 3.08Å; R283-L285 PolarHBondContact O-N 2.69Å; L285-I287 VanDerWaalsContact C-N 3.31Å
286C90.9Very high84.9Confident0 Ų029.5 Ų29.50%015%0.147CC..THydrogen-bonded Turntrans-90.46.3-178.8-49.80000113.2M237 R283 R284 L316 A319 L320M237-C286 WeakPolarHBondContact CE-SG 3.13Å; R283-C286 WeakPolarHBondContact O-CB 3.29Å; R283-C286 PolarHBondContact O-N 2.97Å; R284-C286 PolarHBondContact O-N 2.94Å; C286-L316 WeakPolarHBondContact O-CB 3.39Å; C286-L316 PolarHBondContact O-N 3.3Å; C286-A319 HydrophobicContact CB-CB 3.9Å; C286-L320 HydrophobicContact CB-CD2 3.56Å; C286-L320 HydrophobicContact CB-CG 3.79Å
287I90.2Very high86.4Confident11 Ų1129.4 Ų29.46%0.05615%0.147CC..EExtended strand (participates in β ladder)trans-123.4126.4-169.8-62.7175.1000109.4R283 R284 L285 R289 E313 V314R283-I287 HydrophobicContact CG-CD1 4.21Å; R284-I287 PolarHBondContact O-N 3.36Å; L285-I287 VanDerWaalsContact C-N 3.31Å; I287-R289 HydrophobicContact CG2-CG 4.07Å; I287-E313 VanDerWaalsContact CG2-CD 3.48Å; I287-E313 HydrophobicContact CG2-CG 3.21Å; I287-V314 WeakPolarHBondContact CA-O 3.21Å
288L91.9Very high87.1Confident2 Ų233.4 Ų33.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-99.6133.2166.2-66.8172.8000109.2V187 V227 F228 V314 L316V187-L288 HydrophobicContact CB-CD1 4.4Å; V187-L288 HydrophobicContact CG1-CD1 4.28Å; V227-L288 HydrophobicContact CG2-CD1 3.8Å; F228-L288 HydrophobicContact CB-CD1 4.16Å; F228-L288 HydrophobicContact CB-CD2 4.42Å; L288-V314 HydrophobicContact CB-CB 4.26Å; L288-V314 PolarHBondContact N-O 3.14Å; L288-V314 PolarHBondContact O-N 2.75Å; L288-L316 HydrophobicContact CD1-CD1 4.12Å; L288-L316 HydrophobicContact CD1-CD2 4.39Å; L288-L316 HydrophobicContact CG-CD1 4.05Å
289R93.9Very high87.9Confident39 Ų3938.6 Ų38.615%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-116.3134.9173.7-61.8-173.1179.794.98.4109.4V199 Q200 I287 I305 E313V199-R289 WeakPolarHBondContact CA-O 3.45Å; Q200-R289 HydrophobicContact CB-CB 4.32Å; Q200-R289 PolarHBondContact N-O 3.1Å; Q200-R289 PolarHBondContact O-N 2.94Å; I287-R289 HydrophobicContact CG2-CG 4.07Å; R289-I305 HydrophobicContact CB-CD1 3.67Å; R289-E313 HydrophobicContact CG-CG 4.09Å; R289-E313 IonicContact CZ-OE2 3.5Å; R289-E313 IonicContact NE-OE2 3.49Å; R289-E313 PolarHBondContact NE-OE2 3.43Å; R289-E313 IonicContact NH2-OE2 3.47Å; R289-E313 PolarHBondContact NH2-OE2 3.07Å
290M94.5Very high88.7Confident0 Ų038.9 Ų38.90%019%0.191CC..EExtended strand (participates in β ladder)trans-144149175.968-169.675.400112.7V177 L179 L189 V197 F198 V199 W311 V312 V314V177-M290 HydrophobicContact CG2-SD 3.94Å; L179-M290 HydrophobicContact CD1-CE 4.24Å; L179-M290 HydrophobicContact CD2-CE 4.19Å; L189-M290 HydrophobicContact CD1-CE 4.02Å; L189-M290 HydrophobicContact CD1-SD 4.02Å; V197-M290 HydrophobicContact CG1-CB 4.08Å; V197-M290 HydrophobicContact CG1-CG 4.41Å; V197-M290 HydrophobicContact CG1-SD 4.36Å; F198-M290 CarbonylContact O-C 3.57Å; F198-M290 WeakPolarHBondContact O-CA 3.23Å; F198-M290 VanDerWaalsContact O-CB 3.29Å; F198-M290 WeakPolarHBondContact O-CB 3.45Å; V199-M290 HydrophobicContact CG2-CB 3.97Å; M290-W311 CarbonylContact O-C 3.53Å; M290-W311 WeakPolarHBondContact O-CA 3.33Å; M290-W311 VanDerWaalsContact O-CB 3.3Å; M290-W311 WeakPolarHBondContact O-CB 3.22Å; M290-V312 HydrophobicContact CG-CG2 3.43Å; M290-V312 VanDerWaalsContact CG-CG2 3.43Å; M290-V312 PolarHBondContact N-O 3.33Å; M290-V312 PolarHBondContact O-N 3.44Å; M290-V312 HydrophobicContact SD-CG2 4.06Å; M290-V314 HydrophobicContact CE-CG2 4.02Å
291S94.8Very high89.3Confident0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-119.8147.1172.271.20000111.1V197 F198 K294 W296 T308 C310V197-S291 WeakPolarHBondContact CG1-O 3.11Å; F198-S291 PolarHBondContact N-O 3.36Å; F198-S291 PolarHBondContact O-N 3.34Å; S291-K294 WeakPolarHBondContact CB-O 3.4Å; S291-K294 PolarHBondContact OG-O 2.91Å; S291-W296 VanDerWaalsContact OG-CE3 3.26Å; S291-W296 WeakPolarHBondContact OG-CZ3 3.12Å; S291-T308 WeakPolarHBondContact CB-OG1 3.38Å; S291-C310 WeakPolarHBondContact CA-O 3.42Å; S291-C310 WeakPolarHBondContact CB-O 3.3Å
292F93.7Very high89.8Confident2 Ų239.4 Ų39.41%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-95.8138.7179.7-58.6-91.5000110V140 L154 I173 V177 V197 K294 C310 V312V140-F292 HydrophobicContact CB-CZ 4.2Å; V140-F292 HydrophobicContact CG1-CE2 4.25Å; V140-F292 HydrophobicContact CG1-CZ 3.65Å; L154-F292 HydrophobicContact CD1-CD2 3.98Å; L154-F292 HydrophobicContact CD1-CE2 3.62Å; L154-F292 HydrophobicContact CD1-CZ 4.04Å; I173-F292 HydrophobicContact CD1-CB 3.91Å; I173-F292 HydrophobicContact CD1-CD2 4.25Å; I173-F292 HydrophobicContact CD1-CG 4.01Å; I173-F292 HydrophobicContact CG1-CB 3.74Å; I173-F292 HydrophobicContact CG1-CD1 4.5Å; I173-F292 HydrophobicContact CG1-CG 4.15Å; I173-F292 HydrophobicContact CG2-CD1 3.82Å; I173-F292 HydrophobicContact CG2-CE1 4.25Å; I173-F292 HydrophobicContact CG2-CG 4.26Å; V177-F292 HydrophobicContact CG1-CE1 4.05Å; V177-F292 HydrophobicContact CG2-CE1 3.93Å; V177-F292 HydrophobicContact CG2-CZ 4.13Å; V197-F292 HydrophobicContact CG2-CD1 3.95Å; V197-F292 HydrophobicContact CG2-CE1 4.44Å; F292-K294 PolarHBondContact O-N 3.32Å; F292-C310 PolarHBondContact N-O 3.47Å; F292-V312 HydrophobicContact CE2-CG1 4.07Å; F292-V312 HydrophobicContact CE2-CG2 3.92Å; F292-V312 HydrophobicContact CZ-CG2 4.21Å
293V92.7Very high89.7Confident20 Ų2042.9 Ų42.912%0.12121%0.212CC..SBendtrans69.4-37.9172.5-1730000114.7H172 I173 Y195 S196 F198H172-V293 HydrophobicContact CB-CG1 4.21Å; H172-V293 HydrophobicContact CB-CG2 3.7Å; I173-V293 HydrophobicContact CG1-CG2 4.43Å; Y195-V293 HydrophobicContact CD1-CG1 4.07Å; Y195-V293 HydrophobicContact CG-CG1 4.48Å; Y195-V293 HydrophobicContact CG-CG2 4.38Å; S196-V293 WeakPolarHBondContact O-CA 3.41Å; S196-V293 PolarHBondContact O-N 2.95Å; F198-V293 WeakPolarHBondContact CE2-O 3.34Å
294K92.4Very high89.6Confident92 Ų9239.9 Ų39.940%0.421%0.206SC..  trans-125.6118.2-172.7-62.2-59.6-176.3-1780111.3F198 S291 F292 T308 P309F198-K294 VanDerWaalsContact CD2-C 3.44Å; S291-K294 WeakPolarHBondContact CB-O 3.4Å; S291-K294 PolarHBondContact OG-O 2.91Å; F292-K294 PolarHBondContact O-N 3.32Å; K294-T308 WeakPolarHBondContact O-CG2 3.34Å; K294-P309 HydrophobicContact CB-CG 4.17Å; K294-P309 HydrophobicContact CG-CG 3.83Å
295G91.2Very high89.6Confident1 Ų137.5 Ų37.51%0.0120%0.198CC..  trans-79.3166.7175.200000114F198 R302F198-G295 VanDerWaalsContact CD2-CA 3.46Å; G295-R302 VanDerWaalsContact O-CZ 3.29Å; G295-R302 PolarHBondContact O-NE 2.93Å; G295-R302 PolarHBondContact O-NH2 3.27Å
296W92.4Very high89.5Confident13 Ų1342.4 Ų42.45%0.04922%0.219CC..  trans-134.5171175.474.997.7000110.1F198 Q200 V216 S291 Y300 R302 I305 T308F198-W296 HydrophobicContact CB-CE3 4.1Å; F198-W296 HydrophobicContact CB-CZ3 3.67Å; F198-W296 VanDerWaalsContact O-CZ3 3.3Å; F198-W296 WeakPolarHBondContact O-CZ3 3.36Å; Q200-W296 HydrophobicContact CB-CH2 4.26Å; Q200-W296 HydrophobicContact CB-CZ2 3.72Å; V216-W296 WeakPolarHBondContact CB-O 3.01Å; V216-W296 HydrophobicContact CG1-CD2 3.98Å; V216-W296 HydrophobicContact CG1-CE3 3.85Å; V216-W296 HydrophobicContact CG1-CH2 3.95Å; V216-W296 HydrophobicContact CG1-CZ2 4.08Å; V216-W296 HydrophobicContact CG1-CZ3 3.83Å; V216-W296 HydrophobicContact CG2-CD2 3.88Å; V216-W296 VanDerWaalsContact CG2-CE2 3.42Å; V216-W296 HydrophobicContact CG2-CG 4.17Å; V216-W296 HydrophobicContact CG2-CH2 4.5Å; V216-W296 HydrophobicContact CG2-CZ2 3.8Å; V216-W296 VanDerWaalsContact CG2-O 3.27Å; V216-W296 WeakPolarHBondContact CG2-O 3.47Å; S291-W296 VanDerWaalsContact OG-CE3 3.26Å; S291-W296 WeakPolarHBondContact OG-CZ3 3.12Å; W296-Y300 WeakPolarHBondContact O-CD2 3.46Å; W296-R302 CarbonylContact C-O 3.52Å; W296-R302 VanDerWaalsContact CA-O 3.27Å; W296-R302 WeakPolarHBondContact CA-O 2.98Å; W296-R302 HydrophobicContact CB-CB 4.05Å; W296-I305 HydrophobicContact CD2-CB 3.78Å; W296-I305 HydrophobicContact CD2-CG1 3.92Å; W296-I305 HydrophobicContact CE3-CB 4.23Å; W296-I305 HydrophobicContact CE3-CD1 4.34Å; W296-I305 HydrophobicContact CE3-CG1 3.83Å; W296-I305 HydrophobicContact CG-CB 4.14Å; W296-I305 HydrophobicContact CH2-CB 4.42Å; W296-I305 HydrophobicContact CH2-CD1 3.51Å; W296-I305 HydrophobicContact CH2-CG1 3.91Å; W296-I305 HydrophobicContact CZ2-CB 3.97Å; W296-I305 HydrophobicContact CZ2-CD1 3.74Å; W296-I305 HydrophobicContact CZ2-CG1 3.97Å; W296-I305 HydrophobicContact CZ3-CD1 3.83Å; W296-I305 HydrophobicContact CZ3-CG1 3.83Å; W296-T308 HydrophobicContact CB-CG2 3.96Å; W296-T308 HydrophobicContact CE3-CG2 4.09Å
297G86.7Confident89.2Confident8 Ų846.9 Ų46.98%0.08224%0.24CC..SBendtrans105.9-170.8-177.900000112.2D299 Y300 R302G297-D299 PolarHBondContact O-N 3.05Å; G297-Y300 PolarHBondContact O-N 3.48Å; G297-Y300 VanDerWaalsContact O-O 3.06Å; G297-R302 PolarHBondContact N-O 3.12Å
298P82.1Confident89.1Confident109 Ų10946.6 Ų46.671%0.70824%0.239SC*.THydrogen-bonded Turntrans-63.3-27.4-167.924.6-34.5000114.3Y300P298-Y300 VanDerWaalsContact C-N 3.3Å
299D85.2Confident88.8Confident136 Ų13647.9 Ų47.973%0.72725%0.247SC*.THydrogen-bonded Turntrans-87.92.6-179.4-56.3-45.3000113.1G297G297-D299 PolarHBondContact O-N 3.05Å
300Y89.6Confident88.5Confident59 Ų5946.7 Ų46.723%0.23125%0.245CC..SBendtrans-128.6156.8-176.6-57.1-84.3000111.2F198 W296 G297 P298 R302F198-Y300 HydrophobicContact CD1-CE1 4.36Å; F198-Y300 HydrophobicContact CD1-CE2 4.46Å; F198-Y300 AromaticContact CD1-CZ 3.94Å; F198-Y300 AromaticContact CE1-CE1 3.65Å; F198-Y300 HydrophobicContact CE1-CE1 3.65Å; F198-Y300 HydrophobicContact CE1-CE2 4.46Å; F198-Y300 AromaticContact CE1-CZ 3.55Å; F198-Y300 VanDerWaalsContact CE1-OH 3.28Å; F198-Y300 WeakPolarHBondContact CE1-OH 3.22Å; F198-Y300 HydrophobicContact CZ-CE1 4.27Å; W296-Y300 WeakPolarHBondContact O-CD2 3.46Å; G297-Y300 PolarHBondContact O-N 3.48Å; G297-Y300 VanDerWaalsContact O-O 3.06Å; P298-Y300 VanDerWaalsContact C-N 3.3Å; Y300-R302 PolarHBondContact O-N 2.94Å; Y300-R302 VanDerWaalsContact O-N 3.16Å
301P87.5Confident88.3Confident109 Ų10950.1 Ų50.171%0.70826%0.258SS*.SBendtrans-60-26.7175.3-24.934.4000113.7
302R89Confident88.1Confident52 Ų5250.9 Ų50.920%0.19626%0.263CS..  trans-89.7124.3-177.2-70.2164.5-70.3-77.5-11.6110G295 W296 G297 Y300 E307G295-R302 VanDerWaalsContact O-CZ 3.29Å; G295-R302 PolarHBondContact O-NE 2.93Å; G295-R302 PolarHBondContact O-NH2 3.27Å; W296-R302 CarbonylContact C-O 3.52Å; W296-R302 VanDerWaalsContact CA-O 3.27Å; W296-R302 WeakPolarHBondContact CA-O 2.98Å; W296-R302 HydrophobicContact CB-CB 4.05Å; G297-R302 PolarHBondContact N-O 3.12Å; Y300-R302 PolarHBondContact O-N 2.94Å; Y300-R302 VanDerWaalsContact O-N 3.16Å; R302-E307 VanDerWaalsContact CA-OE2 3.27Å; R302-E307 WeakPolarHBondContact CA-OE2 3.22Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 VanDerWaalsContact CD-O 3.22Å; R302-E307 WeakPolarHBondContact CD-O 3.45Å; R302-E307 HydrophobicContact CG-CB 3.87Å
303Q82.8Confident87.9Confident73 Ų7354.3 Ų54.334%0.34128%0.279SS..SBendtrans-82-40-177-58.8-57.1-53.700111.5E307Q303-E307 PolarHBondContact N-OE2 3.11Å
304T84.3Confident87.8Confident42 Ų4255 Ų5526%0.25828%0.282SS..SBendtrans-115.7156-179.4680000112K306 E307T304-K306 PolarHBondContact O-N 2.96Å; T304-E307 PolarHBondContact N-OE1 3.29Å; T304-E307 WeakPolarHBondContact O-CB 3.44Å; T304-E307 PolarHBondContact O-N 2.71Å; T304-E307 VanDerWaalsContact O-N 3.15Å; T304-E307 PolarHBondContact OG1-OE1 3.45Å
305I87.2Confident87.7Confident16 Ų1654.1 Ų54.18%0.08228%0.28CS..G310 helixtrans-59.4-30.5175.7-166.5174.8000112R289 W296 E307 T308 W311R289-I305 HydrophobicContact CB-CD1 3.67Å; W296-I305 HydrophobicContact CD2-CB 3.78Å; W296-I305 HydrophobicContact CD2-CG1 3.92Å; W296-I305 HydrophobicContact CE3-CB 4.23Å; W296-I305 HydrophobicContact CE3-CD1 4.34Å; W296-I305 HydrophobicContact CE3-CG1 3.83Å; W296-I305 HydrophobicContact CG-CB 4.14Å; W296-I305 HydrophobicContact CH2-CB 4.42Å; W296-I305 HydrophobicContact CH2-CD1 3.51Å; W296-I305 HydrophobicContact CH2-CG1 3.91Å; W296-I305 HydrophobicContact CZ2-CB 3.97Å; W296-I305 HydrophobicContact CZ2-CD1 3.74Å; W296-I305 HydrophobicContact CZ2-CG1 3.97Å; W296-I305 HydrophobicContact CZ3-CD1 3.83Å; W296-I305 HydrophobicContact CZ3-CG1 3.83Å; I305-E307 PolarHBondContact O-N 2.71Å; I305-T308 VanDerWaalsContact O-CB 3.25Å; I305-T308 WeakPolarHBondContact O-CB 3.41Å; I305-T308 WeakPolarHBondContact O-CG2 3.3Å; I305-T308 PolarHBondContact O-N 3.41Å; I305-T308 PolarHBondContact O-OG1 3.27Å; I305-W311 HydrophobicContact CD1-CB 3.84Å; I305-W311 HydrophobicContact CD1-CD2 4.5Å; I305-W311 HydrophobicContact CD1-CE3 4.32Å; I305-W311 HydrophobicContact CD1-CG 4.33Å; I305-W311 HydrophobicContact CG1-CB 3.73Å; I305-W311 HydrophobicContact CG1-CD2 4.41Å; I305-W311 HydrophobicContact CG1-CG 4.01Å
306K85.7Confident87.6Confident107 Ų10754.9 Ų54.947%0.46528%0.283SS..G310 helixtrans-67.3-20.9-179.1-64.8-175.4178.8-1780113.2I118 T304 T308 W311I118-K306 HydrophobicContact CD1-CD 4.19Å; I118-K306 HydrophobicContact CG1-CD 3.97Å; I118-K306 VanDerWaalsContact CG2-NZ 3.32Å; T304-K306 PolarHBondContact O-N 2.96Å; K306-T308 PolarHBondContact O-N 3.35Å; K306-W311 HydrophobicContact CG-CZ2 4.03Å
307E85.4Confident87.3Confident93 Ų9359.7 Ų59.744%0.43531%0.306SS..G310 helixtrans-79.7-5.8172.3-65.7158.4-129.500112.5R302 Q303 T304 I305R302-E307 VanDerWaalsContact CA-OE2 3.27Å; R302-E307 WeakPolarHBondContact CA-OE2 3.22Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 VanDerWaalsContact CD-O 3.22Å; R302-E307 WeakPolarHBondContact CD-O 3.45Å; R302-E307 HydrophobicContact CG-CB 3.87Å; Q303-E307 PolarHBondContact N-OE2 3.11Å; T304-E307 PolarHBondContact N-OE1 3.29Å; T304-E307 WeakPolarHBondContact O-CB 3.44Å; T304-E307 PolarHBondContact O-N 2.71Å; T304-E307 VanDerWaalsContact O-N 3.15Å; T304-E307 PolarHBondContact OG1-OE1 3.45Å; I305-E307 PolarHBondContact O-N 2.71Å
308T88Confident87.4Confident6 Ų665.3 Ų65.34%0.03733%0.325CS..SBendtrans-78.4142.1173.572.20000110.1S291 K294 W296 I305 K306 C310 W311S291-T308 WeakPolarHBondContact CB-OG1 3.38Å; K294-T308 WeakPolarHBondContact O-CG2 3.34Å; W296-T308 HydrophobicContact CB-CG2 3.96Å; W296-T308 HydrophobicContact CE3-CG2 4.09Å; I305-T308 VanDerWaalsContact O-CB 3.25Å; I305-T308 WeakPolarHBondContact O-CB 3.41Å; I305-T308 WeakPolarHBondContact O-CG2 3.3Å; I305-T308 PolarHBondContact O-N 3.41Å; I305-T308 PolarHBondContact O-OG1 3.27Å; K306-T308 PolarHBondContact O-N 3.35Å; T308-C310 PolarHBondContact O-N 3.08Å; T308-W311 WeakPolarHBondContact OG1-CB 3.43Å
309P86.5Confident87.7Confident28 Ų2860.1 Ų60.118%0.18229%0.291CS..SBendtrans-64.5-26.1-176.123.8-34.1000113.7V165 A169 K294V165-P309 HydrophobicContact CG1-CB 4.45Å; A169-P309 HydrophobicContact CB-CB 3.62Å; A169-P309 HydrophobicContact CB-CG 3.48Å; A169-P309 VanDerWaalsContact CB-CG 3.48Å; K294-P309 HydrophobicContact CB-CG 4.17Å; K294-P309 HydrophobicContact CG-CG 3.83Å
310C87.2Confident87.9Confident15 Ų1555.3 Ų55.310%0.10127%0.265CS..SBendtrans-152.1119.4179.8-166.10000110.4I173 S291 F292 T308I173-C310 HydrophobicContact CD1-CB 4.16Å; S291-C310 WeakPolarHBondContact CA-O 3.42Å; S291-C310 WeakPolarHBondContact CB-O 3.3Å; F292-C310 PolarHBondContact N-O 3.47Å; T308-C310 PolarHBondContact O-N 3.08Å
311W90.2Very high87.9Confident72 Ų7257.5 Ų57.527%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-144.4159.4179.561.5-85.9000110.9M290 I305 K306 T308 E313M290-W311 CarbonylContact O-C 3.53Å; M290-W311 WeakPolarHBondContact O-CA 3.33Å; M290-W311 VanDerWaalsContact O-CB 3.3Å; M290-W311 WeakPolarHBondContact O-CB 3.22Å; I305-W311 HydrophobicContact CD1-CB 3.84Å; I305-W311 HydrophobicContact CD1-CD2 4.5Å; I305-W311 HydrophobicContact CD1-CE3 4.32Å; I305-W311 HydrophobicContact CD1-CG 4.33Å; I305-W311 HydrophobicContact CG1-CB 3.73Å; I305-W311 HydrophobicContact CG1-CD2 4.41Å; I305-W311 HydrophobicContact CG1-CG 4.01Å; K306-W311 HydrophobicContact CG-CZ2 4.03Å; T308-W311 WeakPolarHBondContact OG1-CB 3.43Å; W311-E313 HydrophobicContact CZ3-CB 4.09Å
312V89.7Confident88.1Confident16 Ų1653 Ų5310%0.09725%0.248CC..EExtended strand (participates in β ladder)trans-135151.2175.3-64.80000110.3V140 F152 L154 M290 F292 V314V140-V312 HydrophobicContact CG1-CG1 4.34Å; F152-V312 HydrophobicContact CE1-CG1 4.47Å; L154-V312 HydrophobicContact CD2-CG1 3.93Å; M290-V312 HydrophobicContact CG-CG2 3.43Å; M290-V312 VanDerWaalsContact CG-CG2 3.43Å; M290-V312 PolarHBondContact N-O 3.33Å; M290-V312 PolarHBondContact O-N 3.44Å; M290-V312 HydrophobicContact SD-CG2 4.06Å; F292-V312 HydrophobicContact CE2-CG1 4.07Å; F292-V312 HydrophobicContact CE2-CG2 3.92Å; F292-V312 HydrophobicContact CZ-CG2 4.21Å; V312-V314 HydrophobicContact CG2-CG2 4.44Å
313E90.6Very high88Confident74 Ų7451 Ų5135%0.34624%0.24SC..EExtended strand (participates in β ladder)trans-115.6124.6171.3-173.1169.9111.700108.1I287 R289 W311 H315I287-E313 VanDerWaalsContact CG2-CD 3.48Å; I287-E313 HydrophobicContact CG2-CG 3.21Å; R289-E313 HydrophobicContact CG-CG 4.09Å; R289-E313 IonicContact CZ-OE2 3.5Å; R289-E313 IonicContact NE-OE2 3.49Å; R289-E313 PolarHBondContact NE-OE2 3.43Å; R289-E313 IonicContact NH2-OE2 3.47Å; R289-E313 PolarHBondContact NH2-OE2 3.07Å; W311-E313 HydrophobicContact CZ3-CB 4.09Å; E313-H315 IonicContact OE1-CD2 2.84Å; E313-H315 IonicContact OE1-CE1 3.06Å; E313-H315 IonicContact OE1-NE2 2.84Å; E313-H315 PolarHBondContact OE1-NE2 3.17Å
314V90.3Very high88.2Confident33 Ų3351.8 Ų51.820%0.225%0.247CC..EExtended strand (participates in β ladder)trans-109.9116.5-176.5-176.50000108L179 I287 L288 M290 V312 L316L179-V314 HydrophobicContact CD1-CG1 4.12Å; L179-V314 HydrophobicContact CD1-CG2 4.01Å; I287-V314 WeakPolarHBondContact CA-O 3.21Å; L288-V314 HydrophobicContact CB-CB 4.26Å; L288-V314 PolarHBondContact N-O 3.14Å; L288-V314 PolarHBondContact O-N 2.75Å; M290-V314 HydrophobicContact CE-CG2 4.02Å; V312-V314 HydrophobicContact CG2-CG2 4.44Å; V314-L316 HydrophobicContact CG1-CD2 4.17Å
315H89.5Confident88.5Confident74 Ų7455 Ų5534%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-91.1119.9177.4-68.2-179.2000109.7E313 H317 L320E313-H315 IonicContact OE1-CD2 2.84Å; E313-H315 IonicContact OE1-CE1 3.06Å; E313-H315 IonicContact OE1-NE2 2.84Å; E313-H315 PolarHBondContact OE1-NE2 3.17Å; H315-H317 PolarHBondContact O-N 3.42Å; H315-L320 HydrophobicContact CB-CD1 4.17Å
316L89.7Confident88.5Confident17 Ų1754.5 Ų54.59%0.08926%0.257CS..  trans-89.595.8-177.7-58.8176.1000109.6V187 F228 C286 L288 V314 R318 A319 L320V187-L316 HydrophobicContact CG2-CD1 4.17Å; V187-L316 HydrophobicContact CG2-CD2 3.62Å; F228-L316 HydrophobicContact CB-CD1 4.07Å; F228-L316 HydrophobicContact CD1-CD1 3.55Å; F228-L316 HydrophobicContact CD2-CD1 3.3Å; F228-L316 HydrophobicContact CE1-CD1 3.67Å; F228-L316 HydrophobicContact CE2-CD1 3.45Å; F228-L316 VanDerWaalsContact CE2-CD1 3.45Å; F228-L316 HydrophobicContact CG-CD1 3.35Å; F228-L316 HydrophobicContact CZ-CD1 3.63Å; C286-L316 WeakPolarHBondContact O-CB 3.39Å; C286-L316 PolarHBondContact O-N 3.3Å; L288-L316 HydrophobicContact CD1-CD1 4.12Å; L288-L316 HydrophobicContact CD1-CD2 4.39Å; L288-L316 HydrophobicContact CG-CD1 4.05Å; V314-L316 HydrophobicContact CG1-CD2 4.17Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.2Å; L316-A319 HydrophobicContact CB-CB 4.1Å; L316-A319 WeakPolarHBondContact O-CB 3.36Å; L316-A319 PolarHBondContact O-N 2.92Å; L316-L320 PolarHBondContact O-N 3.48Å
317H86Confident88.3Confident115 Ų11550.6 Ų50.653%0.53224%0.241SC..Hα-helixtrans-54.3-41.4-173.8-81.6-70.6000114.1H315 A319 L320 Q321H315-H317 PolarHBondContact O-N 3.42Å; H317-A319 VanDerWaalsContact C-N 3.32Å; H317-A319 PolarHBondContact O-N 3.16Å; H317-L320 WeakPolarHBondContact O-CB 3.16Å; H317-L320 PolarHBondContact O-N 3.34Å; H317-Q321 WeakPolarHBondContact O-CG 3.35Å; H317-Q321 PolarHBondContact O-N 2.98Å
318R88.5Confident88.1Confident126 Ų12652.9 Ų52.948%0.47525%0.252SS..Hα-helixtrans-63.9-38.2178.6-177.457.5178.1-1561.7112.4L230 L316 Q321 L322L230-R318 HydrophobicContact CD1-CB 4.46Å; L230-R318 HydrophobicContact CD1-CG 4Å; L230-R318 HydrophobicContact CD2-CG 3.65Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.2Å; R318-Q321 PolarHBondContact O-N 2.72Å; R318-L322 PolarHBondContact O-N 2.88Å
319A89.8Confident87.4Confident0 Ų057.7 Ų57.70%028%0.281CS..Hα-helixtrans-68.2-38.917500000111.2F228 L230 M237 C286 L316 H317 Q321 L322 L323F228-A319 HydrophobicContact CE1-CB 4.38Å; F228-A319 HydrophobicContact CZ-CB 3.73Å; L230-A319 HydrophobicContact CD1-CB 4.09Å; M237-A319 HydrophobicContact CE-CB 4.03Å; M237-A319 WeakPolarHBondContact CE-O 3.49Å; C286-A319 HydrophobicContact CB-CB 3.9Å; L316-A319 HydrophobicContact CB-CB 4.1Å; L316-A319 WeakPolarHBondContact O-CB 3.36Å; L316-A319 PolarHBondContact O-N 2.92Å; H317-A319 VanDerWaalsContact C-N 3.32Å; H317-A319 PolarHBondContact O-N 3.16Å; A319-Q321 VanDerWaalsContact C-N 3.3Å; A319-Q321 PolarHBondContact O-N 2.88Å; A319-L322 PolarHBondContact O-N 3.1Å; A319-L323 PolarHBondContact O-N 3.03Å
320L89.5Confident86.5Confident35 Ų3556.9 Ų56.918%0.18328%0.275CS..Hα-helixtrans-62.8-34.2175.2-69.5170.5000112.8R283 C286 H315 L316 H317 L323 D324R283-L320 HydrophobicContact CG-CD2 4.08Å; C286-L320 HydrophobicContact CB-CD2 3.56Å; C286-L320 HydrophobicContact CB-CG 3.79Å; H315-L320 HydrophobicContact CB-CD1 4.17Å; L316-L320 PolarHBondContact O-N 3.48Å; H317-L320 WeakPolarHBondContact O-CB 3.16Å; H317-L320 PolarHBondContact O-N 3.34Å; L320-L323 HydrophobicContact CD2-CD2 4.5Å; L320-L323 WeakPolarHBondContact O-CB 3.45Å; L320-L323 PolarHBondContact O-N 3.31Å; L320-D324 PolarHBondContact O-N 3.09Å
321Q88.5Confident85Confident105 Ų10561.7 Ų61.749%0.49131%0.306SS..Hα-helixtrans-64.5-45.9173.2-72.2171.9-27.400111.7H317 R318 A319 L323 D324 E325H317-Q321 WeakPolarHBondContact O-CG 3.35Å; H317-Q321 PolarHBondContact O-N 2.98Å; R318-Q321 PolarHBondContact O-N 2.72Å; A319-Q321 VanDerWaalsContact C-N 3.3Å; A319-Q321 PolarHBondContact O-N 2.88Å; Q321-L323 VanDerWaalsContact C-N 3.27Å; Q321-L323 PolarHBondContact O-N 3.41Å; Q321-D324 WeakPolarHBondContact O-CB 3.43Å; Q321-D324 PolarHBondContact O-N 2.8Å; Q321-D324 VanDerWaalsContact O-N 3.13Å; Q321-E325 PolarHBondContact O-N 3.17Å; Q321-E325 VanDerWaalsContact O-N 3.07Å
322L91Very high83.4Confident15 Ų1561.4 Ų61.48%0.07933%0.325CS..Hα-helixtrans-63.6-35.7175.5-65.1176.2000111.8L230 H234 R318 A319 D324 E325 V326L230-L322 HydrophobicContact CD1-CD1 3.8Å; L230-L322 HydrophobicContact CD2-CD1 4.38Å; L230-L322 HydrophobicContact CG-CD1 4.06Å; H234-L322 HydrophobicContact CB-CD1 3.85Å; R318-L322 PolarHBondContact O-N 2.88Å; A319-L322 PolarHBondContact O-N 3.1Å; L322-D324 VanDerWaalsContact C-N 3.32Å; L322-E325 PolarHBondContact O-N 2.78Å; L322-V326 VanDerWaalsContact O-CG2 3.3Å; L322-V326 WeakPolarHBondContact O-CG2 3.39Å; L322-V326 PolarHBondContact O-N 3.22Å
323L88.7Confident81.5Confident8 Ų862.3 Ų62.34%0.04233%0.329CS..Hα-helixtrans-61.2-44173.217657.4000111.3M237 L282 R283 A319 L320 Q321 E325 V326 L327M237-L323 HydrophobicContact CE-CB 4.39Å; M237-L323 HydrophobicContact SD-CB 3.84Å; M237-L323 HydrophobicContact SD-CD1 4.34Å; L282-L323 HydrophobicContact CB-CD1 3.44Å; L282-L323 VanDerWaalsContact CB-CD1 3.44Å; L282-L323 HydrophobicContact CB-CD2 4.32Å; L282-L323 HydrophobicContact CD1-CD1 3.9Å; L282-L323 HydrophobicContact CG-CD1 4.28Å; R283-L323 HydrophobicContact CB-CD2 4.03Å; A319-L323 PolarHBondContact O-N 3.03Å; L320-L323 HydrophobicContact CD2-CD2 4.5Å; L320-L323 WeakPolarHBondContact O-CB 3.45Å; L320-L323 PolarHBondContact O-N 3.31Å; Q321-L323 VanDerWaalsContact C-N 3.27Å; Q321-L323 PolarHBondContact O-N 3.41Å; L323-E325 VanDerWaalsContact C-N 3.34Å; L323-E325 PolarHBondContact O-N 3.33Å; L323-V326 PolarHBondContact O-N 2.66Å; L323-L327 HydrophobicContact CD1-CD1 4.1Å; L323-L327 HydrophobicContact CD1-CD2 4.45Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.99Å; L323-L327 HydrophobicContact CG-CG 4.34Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 3.04Å
324D86.6Confident79.2Confident90 Ų9064 Ų6448%0.48135%0.345SS..Hα-helixtrans-59.1-45.7176.8-166.754.2000111.2L320 Q321 L322 V326 L327 H328L320-D324 PolarHBondContact O-N 3.09Å; Q321-D324 WeakPolarHBondContact O-CB 3.43Å; Q321-D324 PolarHBondContact O-N 2.8Å; Q321-D324 VanDerWaalsContact O-N 3.13Å; L322-D324 VanDerWaalsContact C-N 3.32Å; D324-V326 PolarHBondContact O-N 3.14Å; D324-L327 PolarHBondContact O-N 3.33Å; D324-H328 PolarHBondContact O-N 2.95Å; D324-H328 PolarHBondContact O-ND1 2.78Å; D324-H328 IonicContact OD1-CE1 3.4Å; D324-H328 PolarHBondContact OD1-CE1 2.78Å; D324-H328 IonicContact OD1-ND1 2.74Å; D324-H328 IonicContact OD2-CE1 3.12Å; D324-H328 PolarHBondContact OD2-CE1 2.93Å; D324-H328 VanDerWaalsContact OD2-CE1 3.31Å; D324-H328 IonicContact OD2-ND1 3.34Å
325E89.4Confident76.4Confident111 Ų11168.8 Ų68.852%0.51940%0.401SS..Hα-helixtrans-57.5-45.2174.1-67.4171.1-156.200112.1Q321 L322 L323 L327 H328 T329Q321-E325 PolarHBondContact O-N 3.17Å; Q321-E325 VanDerWaalsContact O-N 3.07Å; L322-E325 PolarHBondContact O-N 2.78Å; L323-E325 VanDerWaalsContact C-N 3.34Å; L323-E325 PolarHBondContact O-N 3.33Å; E325-L327 PolarHBondContact O-N 3.28Å; E325-H328 PolarHBondContact O-N 3.06Å; E325-T329 PolarHBondContact O-N 2.86Å
326V87.2Confident75.8Confident4 Ų468.5 Ų68.52%0.02440%0.404CS..Hα-helixtrans-62.3-43.5177.2172.50000111M237 L238 A241 L322 L323 D324 H328 T329 M330M237-V326 HydrophobicContact CB-CG2 4.44Å; L238-V326 HydrophobicContact CD2-CG1 4.5Å; L238-V326 HydrophobicContact CD2-CG2 3.74Å; L238-V326 HydrophobicContact CG-CG2 4.21Å; A241-V326 HydrophobicContact CB-CG1 3.66Å; L322-V326 VanDerWaalsContact O-CG2 3.3Å; L322-V326 WeakPolarHBondContact O-CG2 3.39Å; L322-V326 PolarHBondContact O-N 3.22Å; L323-V326 PolarHBondContact O-N 2.66Å; D324-V326 PolarHBondContact O-N 3.14Å; V326-H328 VanDerWaalsContact C-N 3.32Å; V326-H328 PolarHBondContact O-N 2.94Å; V326-T329 PolarHBondContact O-N 3.17Å; V326-T329 VanDerWaalsContact O-N 3.11Å; V326-T329 PolarHBondContact O-OG1 3.36Å; V326-M330 HydrophobicContact CG1-SD 4.28Å; V326-M330 WeakPolarHBondContact O-CG 3.33Å
327L82.4Confident75.1Confident25 Ų2571.2 Ų71.213%0.13142%0.42CS..Hα-helixtrans-65.6-34.6-179.8-68.8172.8000112.3V279 L282 L323 D324 E325 T329 M330V279-L327 HydrophobicContact CG1-CD1 3.86Å; V279-L327 HydrophobicContact CG1-CD2 4.46Å; V279-L327 HydrophobicContact CG2-CD2 3.99Å; L282-L327 HydrophobicContact CD1-CD2 4.02Å; L323-L327 HydrophobicContact CD1-CD1 4.1Å; L323-L327 HydrophobicContact CD1-CD2 4.45Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.99Å; L323-L327 HydrophobicContact CG-CG 4.34Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 3.04Å; D324-L327 PolarHBondContact O-N 3.33Å; E325-L327 PolarHBondContact O-N 3.28Å; L327-T329 PolarHBondContact O-N 3.13Å; L327-M330 CarbonylContact O-C 3.54Å; L327-M330 PolarHBondContact O-N 2.93Å
328H81.2Confident74.5Confident142 Ų14268.8 Ų68.866%0.65741%0.414SS*.Hα-helixtrans-63.3-27.7173.8-76.385.6000112.9D324 E325 V326 M330D324-H328 PolarHBondContact O-N 2.95Å; D324-H328 PolarHBondContact O-ND1 2.78Å; D324-H328 IonicContact OD1-CE1 3.4Å; D324-H328 PolarHBondContact OD1-CE1 2.78Å; D324-H328 IonicContact OD1-ND1 2.74Å; D324-H328 IonicContact OD2-CE1 3.12Å; D324-H328 PolarHBondContact OD2-CE1 2.93Å; D324-H328 VanDerWaalsContact OD2-CE1 3.31Å; D324-H328 IonicContact OD2-ND1 3.34Å; E325-H328 PolarHBondContact O-N 3.06Å; V326-H328 VanDerWaalsContact C-N 3.32Å; V326-H328 PolarHBondContact O-N 2.94Å; H328-M330 PolarHBondContact O-N 3.21Å
329T73.3Confident73.6Confident106 Ų10665.4 Ų65.465%0.6541%0.41SS*.THydrogen-bonded Turntrans-79.1-2173.8680000113.7E325 V326 L327 P331E325-T329 PolarHBondContact O-N 2.86Å; V326-T329 PolarHBondContact O-N 3.17Å; V326-T329 VanDerWaalsContact O-N 3.11Å; V326-T329 PolarHBondContact O-OG1 3.36Å; L327-T329 PolarHBondContact O-N 3.13Å; T329-P331 WeakPolarHBondContact O-CD 3.32Å
330M66.9Low72.6Confident11 Ų1169.5 Ų69.55%0.05444%0.436CS..  trans-127.675.2-173.2-61-171.985.800112.2A241 A244 H245 V326 L327 H328 G332 L333A241-M330 HydrophobicContact CB-CE 3.78Å; A241-M330 HydrophobicContact CB-SD 3.19Å; A241-M330 WeakPolarHBondContact CB-SD 3.43Å; A241-M330 WeakPolarHBondContact O-CE 2.85Å; A244-M330 HydrophobicContact CB-CE 4.49Å; H245-M330 HydrophobicContact CB-CE 3.73Å; V326-M330 HydrophobicContact CG1-SD 4.28Å; V326-M330 WeakPolarHBondContact O-CG 3.33Å; L327-M330 CarbonylContact O-C 3.54Å; L327-M330 PolarHBondContact O-N 2.93Å; H328-M330 PolarHBondContact O-N 3.21Å; M330-G332 PolarHBondContact O-N 3.16Å; M330-L333 HydrophobicContact CB-CD1 4.22Å; M330-L333 HydrophobicContact CE-CD1 3.31Å; M330-L333 HydrophobicContact CE-CG 4.43Å; M330-L333 PolarHBondContact O-N 2.89Å; M330-L333 HydrophobicContact SD-CD1 3.46Å; M330-L333 WeakPolarHBondContact SD-CD1 3.35Å
331P57Low71.5Confident116 Ų11671.8 Ų71.875%0.75345%0.453SS*.THydrogen-bonded Turntrans-61.5-8.4-177.821.1-30.7000115T329T329-P331 WeakPolarHBondContact O-CD 3.32Å
332G55.9Low70.3Confident66 Ų6669.4 Ų69.468%0.6845%0.45SS*.THydrogen-bonded Turntrans-95.9-1.4179.900000116.8M330M330-G332 PolarHBondContact O-N 3.16Å
333L48.8Very low68.7Low35 Ų3573.6 Ų73.618%0.18348%0.479CS..SBendtrans-104.4-7.3-177.7-91.8163.2000114.5A244 V279 M330A244-L333 HydrophobicContact CB-CD1 4.22Å; V279-L333 WeakPolarHBondContact CG2-O 3.46Å; M330-L333 HydrophobicContact CB-CD1 4.22Å; M330-L333 HydrophobicContact CE-CD1 3.31Å; M330-L333 HydrophobicContact CE-CG 4.43Å; M330-L333 PolarHBondContact O-N 2.89Å; M330-L333 HydrophobicContact SD-CD1 3.46Å; M330-L333 WeakPolarHBondContact SD-CD1 3.35Å
334T43Very low67Low110 Ų11079.1 Ų79.168%0.67552%0.515SS*.  trans-92.24.8-175.749.10000114.1
335G32.5Very low65.2Low133 Ų13378.1 Ų78.1100%1.37152%0.518SS*.  trans-1290177.500000112.6

Retrieved 335 of 335 residues in 317.2 ms (Link to these results)

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