A0A077Z0R8_TRITR Loading...

Pre-mRNA-splicing factor SYF2

Involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A077Z0R8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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
1M60.8Low85.2Confident204 Ų204128.9 Ų128.9100%1.00559%0.589SS**  0-39.20-80.9-82-155.900112.8
2D79.6Confident85.8Confident128 Ų128125.3 Ų125.368%0.68458%0.575SS**Hα-helixtrans-66.8-36.6-175.4-85.5-24.3000116.7M4 K5 K6D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 2.99Å; D2-K5 PolarHBondContact O-N 3.16Å; D2-K6 PolarHBondContact O-N 3.37Å
3R82.9Confident86.2Confident227 Ų227126.2 Ų126.286%0.85757%0.571SS**Hα-helixtrans-60.7-35.9-179.1-167.4176.2-179.3174.41112.7L7R3-L7 WeakPolarHBondContact O-CB 3.35Å; R3-L7 PolarHBondContact O-N 2.98Å
4M85.2Confident86.7Confident137 Ų137126.9 Ų126.968%0.67557%0.566SS**Hα-helixtrans-72.3-40178-71.2-62.5-75.800112D2 L7 H8D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 2.99Å; M4-L7 PolarHBondContact O-N 3.44Å; M4-H8 PolarHBondContact O-N 3.33Å
5K87.4Confident87.1Confident140 Ų140123.8 Ų123.861%0.60956%0.557SS**Hα-helixtrans-61.3-44.9172.9-69.6-176.3178.1-179.50111.2D2 L7 H8 E9D2-K5 PolarHBondContact O-N 3.16Å; K5-L7 PolarHBondContact O-N 3.34Å; K5-H8 PolarHBondContact O-N 2.92Å; K5-E9 PolarHBondContact O-N 3.32Å
6K87.1Confident87.5Confident97 Ų97122.9 Ų122.942%0.42255%0.554SS.*Hα-helixtrans-64.1-40.2177.8-16669.5-168.5167.70112.7D2 H8 E9 L10D2-K6 PolarHBondContact O-N 3.37Å; K6-H8 VanDerWaalsContact C-N 3.34Å; K6-E9 WeakPolarHBondContact CD-OE2 3.21Å; K6-E9 IonicContact NZ-OE1 2.76Å; K6-E9 IonicContact NZ-OE2 3.48Å; K6-E9 PolarHBondContact NZ-OE2 2.79Å; K6-E9 PolarHBondContact O-N 2.94Å; K6-L10 HydrophobicContact CG-CD1 4.45Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.09Å
7L90.3Very high87.9Confident70 Ų70118.2 Ų118.237%0.36654%0.543SS..Hα-helixtrans-63.8-39.8174.9-177.265000112R3 M4 K5 L10 R11R3-L7 WeakPolarHBondContact O-CB 3.35Å; R3-L7 PolarHBondContact O-N 2.98Å; M4-L7 PolarHBondContact O-N 3.44Å; K5-L7 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.08Å; L7-R11 WeakPolarHBondContact O-CG 3.32Å; L7-R11 PolarHBondContact O-N 3.12Å
8H89.7Confident88.1Confident120 Ų120120.6 Ų120.656%0.55655%0.546SS*.Hα-helixtrans-63.9-47175.3-177.776.6000111.4M4 K5 K6 L10 R11 M12M4-H8 PolarHBondContact O-N 3.33Å; K5-H8 PolarHBondContact O-N 2.92Å; K6-H8 VanDerWaalsContact C-N 3.34Å; H8-L10 PolarHBondContact O-N 2.83Å; H8-R11 WeakPolarHBondContact O-CB 3.39Å; H8-R11 PolarHBondContact O-N 3.17Å; H8-R11 VanDerWaalsContact O-N 3.12Å; H8-M12 WeakPolarHBondContact O-CG 3.42Å; H8-M12 PolarHBondContact O-N 3.38Å
9E91.8Very high88.4Confident70 Ų70121.6 Ų121.633%0.32755%0.55SS..Hα-helixtrans-57.4-45.3174.7-169.4-165.4170.800112K5 K6 R11 M12 R13K5-E9 PolarHBondContact O-N 3.32Å; K6-E9 WeakPolarHBondContact CD-OE2 3.21Å; K6-E9 IonicContact NZ-OE1 2.76Å; K6-E9 IonicContact NZ-OE2 3.48Å; K6-E9 PolarHBondContact NZ-OE2 2.79Å; K6-E9 PolarHBondContact O-N 2.94Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.95Å; E9-M12 PolarHBondContact O-N 2.79Å; E9-R13 WeakPolarHBondContact O-CG 3.32Å; E9-R13 PolarHBondContact O-N 2.66Å; E9-R13 IonicContact OE1-CZ 3.29Å; E9-R13 VanDerWaalsContact OE1-CZ 3.29Å; E9-R13 IonicContact OE1-NE 3.38Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 3.7Å; E9-R13 PolarHBondContact OE1-NH2 3.45Å
10L90.9Very high88.7Confident88 Ų88120.4 Ų120.446%0.46155%0.547SS..Hα-helixtrans-64.5-34.4176.6-72.5172.2000112.7K6 L7 H8 R14K6-L10 HydrophobicContact CG-CD1 4.45Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.08Å; H8-L10 PolarHBondContact O-N 2.83Å; L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 2.99Å
11R91.6Very high88.9Confident137 Ų137119.5 Ų119.552%0.51755%0.548SS..Hα-helixtrans-66.6-41.5172.6-75.9175.1-178.5-1650.4111.1L7 H8 E9 R14 N15L7-R11 WeakPolarHBondContact O-CG 3.32Å; L7-R11 PolarHBondContact O-N 3.12Å; H8-R11 WeakPolarHBondContact O-CB 3.39Å; H8-R11 PolarHBondContact O-N 3.17Å; H8-R11 VanDerWaalsContact O-N 3.12Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.95Å; R11-R14 PolarHBondContact O-N 3.26Å; R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.06Å
12M92.4Very high90.4Very high85 Ų85115.8 Ų115.842%0.41953%0.528SS..Hα-helixtrans-63.6-49.9176.2-68.6-57.4-7000111.5H8 E9 R14 N15 E16H8-M12 WeakPolarHBondContact O-CG 3.42Å; H8-M12 PolarHBondContact O-N 3.38Å; E9-M12 PolarHBondContact O-N 2.79Å; M12-R14 VanDerWaalsContact C-N 3.27Å; M12-R14 PolarHBondContact O-N 3.41Å; M12-N15 CarbonylContact O-C 3.56Å; M12-N15 WeakPolarHBondContact O-CA 3.43Å; M12-N15 WeakPolarHBondContact O-CB 3.41Å; M12-N15 PolarHBondContact O-N 3.15Å; M12-E16 WeakPolarHBondContact O-CG 3.21Å; M12-E16 PolarHBondContact O-N 3.03Å
13R91.2Very high91Very high138 Ų138114.1 Ų114.152%0.52152%0.515SS..Hα-helixtrans-58-37.6175.3-70.9-175.2-171.7-163-0.9113E9 E16 A17E9-R13 WeakPolarHBondContact O-CG 3.32Å; E9-R13 PolarHBondContact O-N 2.66Å; E9-R13 IonicContact OE1-CZ 3.29Å; E9-R13 VanDerWaalsContact OE1-CZ 3.29Å; E9-R13 IonicContact OE1-NE 3.38Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 3.7Å; E9-R13 PolarHBondContact OE1-NH2 3.45Å; R13-E16 PolarHBondContact O-N 2.92Å; R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.35Å; R13-A17 PolarHBondContact O-N 2.95Å
14R92.5Very high91.5Very high135 Ų135108.1 Ų108.151%0.50950%0.501SS..Hα-helixtrans-67.3-39.6175.4-167.6-158.6-36.6-179.46111.9L10 R11 M12 R18L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 2.99Å; R11-R14 PolarHBondContact O-N 3.26Å; M12-R14 VanDerWaalsContact C-N 3.27Å; M12-R14 PolarHBondContact O-N 3.41Å; R14-R18 VanDerWaalsContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CB 3.35Å; R14-R18 PolarHBondContact O-N 2.97Å
15N93.4Very high91.8Very high81 Ų81105.9 Ų105.943%0.43349%0.494SS..Hα-helixtrans-67.6-40.8175.9-73.7-13.9000111.1R11 M12 R18 K19R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.06Å; M12-N15 CarbonylContact O-C 3.56Å; M12-N15 WeakPolarHBondContact O-CA 3.43Å; M12-N15 WeakPolarHBondContact O-CB 3.41Å; M12-N15 PolarHBondContact O-N 3.15Å; N15-R18 PolarHBondContact O-N 2.98Å; N15-K19 WeakPolarHBondContact O-CB 3.34Å; N15-K19 PolarHBondContact O-N 3.04Å
16E93.9Very high92.1Very high109 Ų109102.4 Ų102.451%0.50948%0.484SS..Hα-helixtrans-60.2-51.3172.6-72.4168.2-179.500111.2M12 R13 R18 K19 L20M12-E16 WeakPolarHBondContact O-CG 3.21Å; M12-E16 PolarHBondContact O-N 3.03Å; R13-E16 PolarHBondContact O-N 2.92Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 3.48Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.89Å; E16-K19 VanDerWaalsContact O-N 3.1Å; E16-L20 WeakPolarHBondContact O-CG 3.41Å; E16-L20 PolarHBondContact O-N 3.3Å
17A93Very high92.2Very high43 Ų43101.6 Ų101.636%0.35548%0.482SS..Hα-helixtrans-59.5-41.5176.500000112.1R13 K19 L20 N21R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.35Å; R13-A17 PolarHBondContact O-N 2.95Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 2.99Å; A17-L20 PolarHBondContact O-N 3.48Å; A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.47Å; A17-N21 PolarHBondContact O-OD1 3.1Å
18R92Very high92.1Very high162 Ų162104.9 Ų104.961%0.61150%0.496SS*.Hα-helixtrans-62.1-41.2174.8-175.5-174-67.1-179.3-5.3111.6R14 N15 E16 H22R14-R18 VanDerWaalsContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CB 3.35Å; R14-R18 PolarHBondContact O-N 2.97Å; N15-R18 PolarHBondContact O-N 2.98Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 3.48Å; R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.32Å
19K94.2Very high92.1Very high139 Ų139102.7 Ų102.760%0.60449%0.488SS*.Hα-helixtrans-67.5-45.2179.1-173.2-179.4178.3-175.30111.4N15 E16 A17 H22 Q23N15-K19 WeakPolarHBondContact O-CB 3.34Å; N15-K19 PolarHBondContact O-N 3.04Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.89Å; E16-K19 VanDerWaalsContact O-N 3.1Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 2.99Å; K19-H22 PolarHBondContact O-N 3.09Å; K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.08Å
20L93.9Very high92Very high97 Ų97105.8 Ų105.851%0.50850%0.497SS..Hα-helixtrans-61.2-50176.1-71.5169.9000111.1E16 A17 H22 Q23 D24E16-L20 WeakPolarHBondContact O-CG 3.41Å; E16-L20 PolarHBondContact O-N 3.3Å; A17-L20 PolarHBondContact O-N 3.48Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.24Å; L20-Q23 WeakPolarHBondContact O-CB 3.45Å; L20-Q23 PolarHBondContact O-N 2.95Å; L20-D24 PolarHBondContact O-N 3.16Å
21N92.4Very high91.7Very high103 Ų103110.3 Ų110.355%0.55151%0.508SS*.Hα-helixtrans-59-39.8177.1-68.60.5000112A17 D24 V25A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.47Å; A17-N21 PolarHBondContact O-OD1 3.1Å; N21-D24 PolarHBondContact O-N 2.94Å; N21-V25 VanDerWaalsContact O-CG2 3.25Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.4Å
22H92.4Very high91.3Very high126 Ų126108.1 Ų108.158%0.58351%0.513SS*.Hα-helixtrans-65.9-40.9176.2-179.355.7000112R18 K19 L20 V25 V26R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.32Å; K19-H22 PolarHBondContact O-N 3.09Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.24Å; H22-V25 PolarHBondContact O-N 3.41Å; H22-V26 WeakPolarHBondContact O-CB 3.45Å; H22-V26 VanDerWaalsContact O-CG2 3.24Å; H22-V26 WeakPolarHBondContact O-CG2 3.4Å; H22-V26 PolarHBondContact O-N 3.14Å
23Q93.9Very high91.1Very high92 Ų92111 Ų11143%0.4352%0.524SS..Hα-helixtrans-61.4-44.5174.9-73.7173.2-24.400111.5K19 L20 V26 E27K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.08Å; L20-Q23 WeakPolarHBondContact O-CB 3.45Å; L20-Q23 PolarHBondContact O-N 2.95Å; Q23-V26 PolarHBondContact O-N 3.02Å; Q23-E27 PolarHBondContact O-N 2.83Å
24D91.8Very high91Very high102 Ų102106.7 Ų106.755%0.54551%0.511SS..Hα-helixtrans-63.2-44178.5-68.1-23000111.8L20 N21 V26 E27 E28L20-D24 PolarHBondContact O-N 3.16Å; N21-D24 PolarHBondContact O-N 2.94Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.36Å; D24-E27 PolarHBondContact O-N 3.24Å; D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 PolarHBondContact O-N 3.45Å
25V92.3Very high90.8Very high89 Ų89104 Ų10454%0.53951%0.51SS..Hα-helixtrans-62.2-39.7175.9169.90000111.6N21 H22 D29N21-V25 VanDerWaalsContact O-CG2 3.25Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.4Å; H22-V25 PolarHBondContact O-N 3.41Å; V25-D29 WeakPolarHBondContact O-CB 3.35Å; V25-D29 PolarHBondContact O-N 2.99Å
26V93.7Very high90.4Very high67 Ų67105.7 Ų105.741%0.40654%0.536SS..Hα-helixtrans-68-40.3177169.50000111.4H22 Q23 D24 R30H22-V26 WeakPolarHBondContact O-CB 3.45Å; H22-V26 VanDerWaalsContact O-CG2 3.24Å; H22-V26 WeakPolarHBondContact O-CG2 3.4Å; H22-V26 PolarHBondContact O-N 3.14Å; Q23-V26 PolarHBondContact O-N 3.02Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.36Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.33Å
27E89.4Confident90.2Very high81 Ų81105.6 Ų105.638%0.37954%0.539SS..Hα-helixtrans-69.6-34.8176.4-76.6-62.6141.700112.2Q23 D24 R30 R31Q23-E27 PolarHBondContact O-N 2.83Å; D24-E27 PolarHBondContact O-N 3.24Å; E27-R30 PolarHBondContact O-N 3.11Å; E27-R30 IonicContact OE1-NH1 3.97Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R30 IonicContact OE2-NH1 3.84Å; E27-R30 PolarHBondContact OE2-NH1 3.43Å; E27-R31 WeakPolarHBondContact O-CB 3.46Å; E27-R31 VanDerWaalsContact O-CG 3.27Å; E27-R31 WeakPolarHBondContact O-CG 3.45Å; E27-R31 PolarHBondContact O-N 3.36Å
28E87Confident89.9Confident139 Ų139107.9 Ų107.965%0.6554%0.538SS*.Hα-helixtrans-65.8-45.5172.9-169.6178.5-172.400111.8D24 R30 R31 S32D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 PolarHBondContact O-N 3.45Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.16Å; E28-R31 PolarHBondContact O-N 2.88Å; E28-S32 PolarHBondContact O-N 3.44Å
29D91.2Very high89.7Confident73 Ų73106.9 Ų106.939%0.3954%0.541SS..Hα-helixtrans-62.8-37.1173.8177.667.7000112V25 S32 K33V25-D29 WeakPolarHBondContact O-CB 3.35Å; V25-D29 PolarHBondContact O-N 2.99Å; D29-S32 WeakPolarHBondContact CA-OG 3.5Å; D29-S32 PolarHBondContact O-OG 3.45Å; D29-K33 VanDerWaalsContact CG-NZ 3.32Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 WeakPolarHBondContact O-CD 3.48Å; D29-K33 VanDerWaalsContact O-CG 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.49Å; D29-K33 PolarHBondContact O-N 3.1Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.33Å; D29-K33 IonicContact OD1-NZ 3.09Å; D29-K33 PolarHBondContact OD1-NZ 3.05Å; D29-K33 WeakPolarHBondContact OD2-CE 3.14Å; D29-K33 IonicContact OD2-NZ 4Å; D29-K33 PolarHBondContact OD2-NZ 2.91Å
30R89.5Confident89.4Confident135 Ų135103.1 Ų103.151%0.50954%0.536SS..Hα-helixtrans-62.3-48.6171.8-177.7-174.4175.3-168.50110.7V26 E27 E28 S32 K33 L34V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.33Å; E27-R30 PolarHBondContact O-N 3.11Å; E27-R30 IonicContact OE1-NH1 3.97Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R30 IonicContact OE2-NH1 3.84Å; E27-R30 PolarHBondContact OE2-NH1 3.43Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.16Å; R30-S32 VanDerWaalsContact C-N 3.35Å; R30-S32 PolarHBondContact O-N 2.87Å; R30-K33 PolarHBondContact O-N 3.05Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 2.89Å
31R84.1Confident89.3Confident183 Ų183104.7 Ų104.769%0.69154%0.538SS*.Hα-helixtrans-62.1-39.4179.2-75.5175.2-175.4-170.41.9112.3E27 E28 K33 L34E27-R31 WeakPolarHBondContact O-CB 3.46Å; E27-R31 VanDerWaalsContact O-CG 3.27Å; E27-R31 WeakPolarHBondContact O-CG 3.45Å; E27-R31 PolarHBondContact O-N 3.36Å; E28-R31 PolarHBondContact O-N 2.88Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.69Å; R31-L34 HydrophobicContact CG-CD1 4.48Å; R31-L34 WeakPolarHBondContact O-CB 3.24Å; R31-L34 PolarHBondContact O-N 3.32Å
32S83.3Confident89.2Confident91 Ų91103.2 Ų103.264%0.63653%0.528SS*.Hα-helixtrans-67.7-29.9177.873.20000112.6E28 D29 R30E28-S32 PolarHBondContact O-N 3.44Å; D29-S32 WeakPolarHBondContact CA-OG 3.5Å; D29-S32 PolarHBondContact O-OG 3.45Å; R30-S32 VanDerWaalsContact C-N 3.35Å; R30-S32 PolarHBondContact O-N 2.87Å
33K89Confident89.1Confident147 Ų147103.4 Ų103.464%0.63953%0.529SS*.THydrogen-bonded Turntrans-81.5-10.2174.1-71169.9-178.7167.80113.9D29 R30 R31D29-K33 VanDerWaalsContact CG-NZ 3.32Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 WeakPolarHBondContact O-CD 3.48Å; D29-K33 VanDerWaalsContact O-CG 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.49Å; D29-K33 PolarHBondContact O-N 3.1Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.33Å; D29-K33 IonicContact OD1-NZ 3.09Å; D29-K33 PolarHBondContact OD1-NZ 3.05Å; D29-K33 WeakPolarHBondContact OD2-CE 3.14Å; D29-K33 IonicContact OD2-NZ 4Å; D29-K33 PolarHBondContact OD2-NZ 2.91Å; R30-K33 PolarHBondContact O-N 3.05Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.69Å
34L87.9Confident89Confident46 Ų46107 Ų10724%0.24154%0.539CS..SBendtrans-69.2139.2176-68.7172.5000109.6R30 R31 W38R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 2.89Å; R31-L34 HydrophobicContact CG-CD1 4.48Å; R31-L34 WeakPolarHBondContact O-CB 3.24Å; R31-L34 PolarHBondContact O-N 3.32Å; L34-W38 HydrophobicContact CB-CB 3.99Å; L34-W38 HydrophobicContact CB-CG 4.15Å; L34-W38 HydrophobicContact CD1-CD2 3.63Å; L34-W38 HydrophobicContact CD1-CE3 3.7Å; L34-W38 HydrophobicContact CD1-CG 4.02Å; L34-W38 HydrophobicContact CD1-CH2 4.4Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD1-CZ3 4.09Å; L34-W38 HydrophobicContact CD2-CB 4.49Å; L34-W38 HydrophobicContact CD2-CD2 4.04Å; L34-W38 HydrophobicContact CD2-CG 3.8Å; L34-W38 HydrophobicContact CG-CD2 4.29Å; L34-W38 HydrophobicContact CG-CG 4.19Å
35P88.4Confident89Confident78 Ų78106.6 Ų106.651%0.50654%0.535SS..  trans-54.9143.4169-27.136.4000110.9N37 W38P35-N37 WeakPolarHBondContact CB-OD1 3.42Å; P35-N37 PolarHBondContact O-N 3.33Å; P35-W38 VanDerWaalsContact O-CB 3.23Å; P35-W38 WeakPolarHBondContact O-CB 3.31Å; P35-W38 PolarHBondContact O-N 3.12Å
36A85.2Confident89.1Confident117 Ų117107.7 Ų107.797%0.96753%0.534SS*.THydrogen-bonded Turntrans-55.6-19179.100000114.2
37N89Confident89Confident107 Ų107111.3 Ų111.357%0.57254%0.541SS*.THydrogen-bonded Turntrans-98.99.6177.466.3-7.8000114.3P35 E39 A40 K41P35-N37 WeakPolarHBondContact CB-OD1 3.42Å; P35-N37 PolarHBondContact O-N 3.33Å; N37-E39 PolarHBondContact O-N 3.38Å; N37-A40 PolarHBondContact O-N 3.26Å; N37-K41 PolarHBondContact O-N 3.35Å
38W87.3Confident89.1Confident91 Ų91110.5 Ų110.535%0.34554%0.537SS..Hα-helixtrans-62.2-43.4-174.3179.885.9000112.9L34 P35 A40 K41 Q42L34-W38 HydrophobicContact CB-CB 3.99Å; L34-W38 HydrophobicContact CB-CG 4.15Å; L34-W38 HydrophobicContact CD1-CD2 3.63Å; L34-W38 HydrophobicContact CD1-CE3 3.7Å; L34-W38 HydrophobicContact CD1-CG 4.02Å; L34-W38 HydrophobicContact CD1-CH2 4.4Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD1-CZ3 4.09Å; L34-W38 HydrophobicContact CD2-CB 4.49Å; L34-W38 HydrophobicContact CD2-CD2 4.04Å; L34-W38 HydrophobicContact CD2-CG 3.8Å; L34-W38 HydrophobicContact CG-CD2 4.29Å; L34-W38 HydrophobicContact CG-CG 4.19Å; P35-W38 VanDerWaalsContact O-CB 3.23Å; P35-W38 WeakPolarHBondContact O-CB 3.31Å; P35-W38 PolarHBondContact O-N 3.12Å; W38-A40 PolarHBondContact O-N 2.88Å; W38-K41 WeakPolarHBondContact O-CB 3.2Å; W38-K41 PolarHBondContact O-N 3.38Å; W38-K41 VanDerWaalsContact O-N 3.12Å; W38-Q42 HydrophobicContact CD2-CG 3.9Å; W38-Q42 HydrophobicContact CE3-CG 4.08Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.65Å; W38-Q42 HydrophobicContact CZ3-CG 4.06Å; W38-Q42 WeakPolarHBondContact O-CG 3.42Å; W38-Q42 PolarHBondContact O-N 3.07Å
39E88Confident89.4Confident141 Ų141109.8 Ų109.866%0.65954%0.535SS*.Hα-helixtrans-61.5-45177.8-65.2-177169.300111.5N37 K41 Q42 Q43N37-E39 PolarHBondContact O-N 3.38Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3Å; E39-Q42 PolarHBondContact O-N 3.39Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.1Å
40A88.5Confident89.5Confident61 Ų61110.8 Ų110.850%0.50454%0.537SS..Hα-helixtrans-61.7-35.7175.400000111.8N37 W38 R44N37-A40 PolarHBondContact O-N 3.26Å; W38-A40 PolarHBondContact O-N 2.88Å; A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.43Å
41K90.3Very high89.6Confident130 Ų130105.9 Ų105.957%0.56552%0.521SS*.Hα-helixtrans-66.7-42.9173.9-169.9180-179-179.20111.5N37 W38 E39 R44 M45N37-K41 PolarHBondContact O-N 3.35Å; W38-K41 WeakPolarHBondContact O-CB 3.2Å; W38-K41 PolarHBondContact O-N 3.38Å; W38-K41 VanDerWaalsContact O-N 3.12Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3Å; K41-R44 PolarHBondContact O-N 3.15Å; K41-M45 VanDerWaalsContact O-CG 3.3Å; K41-M45 WeakPolarHBondContact O-CG 3.18Å; K41-M45 PolarHBondContact O-N 2.87Å
42Q90.8Very high90Very high72 Ų72101.4 Ų101.434%0.33651%0.51SS..Hα-helixtrans-62.8-47.2176.2-70.2-57-45.200111.6W38 E39 R44 M45 Q46W38-Q42 HydrophobicContact CD2-CG 3.9Å; W38-Q42 HydrophobicContact CE3-CG 4.08Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.65Å; W38-Q42 HydrophobicContact CZ3-CG 4.06Å; W38-Q42 WeakPolarHBondContact O-CG 3.42Å; W38-Q42 PolarHBondContact O-N 3.07Å; E39-Q42 PolarHBondContact O-N 3.39Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 2.88Å; Q42-M45 PolarHBondContact O-N 3.23Å; Q42-M45 VanDerWaalsContact O-N 3.16Å; Q42-Q46 WeakPolarHBondContact O-CG 3.47Å; Q42-Q46 PolarHBondContact O-N 3.46Å
43Q91.5Very high90.4Very high130 Ų130103.3 Ų103.361%0.60751%0.509SS*.Hα-helixtrans-57.8-41.3175.6-72.6179.68.600111.8E39 Q46 W47E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.1Å; Q43-Q46 PolarHBondContact O-N 3.16Å; Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.16Å
44R90.1Very high90.6Very high167 Ų167101.1 Ų101.163%0.6350%0.5SS*.Hα-helixtrans-63.5-45.4175.7-178.1177.5170.1-172.5-4112.2A40 K41 Q42 Q46 W47 E48A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.43Å; K41-R44 PolarHBondContact O-N 3.15Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 2.88Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; R44-W47 PolarHBondContact O-N 3.42Å; R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 IonicContact CZ-OE1 3.81Å; R44-E48 IonicContact NE-OE1 3.87Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 IonicContact NH2-OE1 2.81Å; R44-E48 PolarHBondContact NH2-OE1 2.84Å; R44-E48 VanDerWaalsContact NH2-OE1 3.09Å; R44-E48 WeakPolarHBondContact O-CB 3.33Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.49Å
45M91.9Very high90.8Very high94 Ų94105.5 Ų105.546%0.46351%0.513SS..Hα-helixtrans-61.8-43.2177-69-68.5-62.400111.3K41 Q42 E48 M49K41-M45 VanDerWaalsContact O-CG 3.3Å; K41-M45 WeakPolarHBondContact O-CG 3.18Å; K41-M45 PolarHBondContact O-N 2.87Å; Q42-M45 PolarHBondContact O-N 3.23Å; Q42-M45 VanDerWaalsContact O-N 3.16Å; M45-E48 PolarHBondContact O-N 3.47Å; M45-M49 VanDerWaalsContact O-CG 3.32Å; M45-M49 WeakPolarHBondContact O-CG 3.42Å; M45-M49 PolarHBondContact O-N 2.83Å
46Q93.9Very high91Very high112 Ų112108 Ų10852%0.52352%0.518SS..Hα-helixtrans-60.6-47.5175.3-73.2173.2-6.800111.3Q42 Q43 R44 E48 M49 E50Q42-Q46 WeakPolarHBondContact O-CG 3.47Å; Q42-Q46 PolarHBondContact O-N 3.46Å; Q43-Q46 PolarHBondContact O-N 3.16Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-E48 PolarHBondContact O-N 3.24Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 2.76Å
47W92.6Very high91.4Very high142 Ų142107 Ų10754%0.53849%0.493SS..Hα-helixtrans-60.4-41.9176.4179.184.1000112.7Q43 R44 M49 E50 D51Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.16Å; R44-W47 PolarHBondContact O-N 3.42Å; W47-M49 VanDerWaalsContact C-N 3.34Å; W47-M49 PolarHBondContact O-N 2.84Å; W47-E50 PolarHBondContact O-N 3Å; W47-D51 VanDerWaalsContact O-CB 3.29Å; W47-D51 WeakPolarHBondContact O-CB 3.34Å; W47-D51 PolarHBondContact O-N 2.98Å
48E91.1Very high91.5Very high65 Ų65102.2 Ų102.230%0.30447%0.469SS..Hα-helixtrans-63.2-39.8176.5-74.9175.3-17300111.4R44 M45 Q46 L52R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 IonicContact CZ-OE1 3.81Å; R44-E48 IonicContact NE-OE1 3.87Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 IonicContact NH2-OE1 2.81Å; R44-E48 PolarHBondContact NH2-OE1 2.84Å; R44-E48 VanDerWaalsContact NH2-OE1 3.09Å; R44-E48 WeakPolarHBondContact O-CB 3.33Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.49Å; M45-E48 PolarHBondContact O-N 3.47Å; Q46-E48 PolarHBondContact O-N 3.24Å; E48-L52 WeakPolarHBondContact O-CB 3.38Å; E48-L52 VanDerWaalsContact O-CG 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.39Å
49M93.5Very high91.6Very high124 Ų124105 Ų10561%0.61149%0.485SS*.Hα-helixtrans-66.8-46.4175.2-69.8-60.5-59.600112.3M45 Q46 W47 D51 L52 E53M45-M49 VanDerWaalsContact O-CG 3.32Å; M45-M49 WeakPolarHBondContact O-CG 3.42Å; M45-M49 PolarHBondContact O-N 2.83Å; Q46-M49 PolarHBondContact O-N 3.49Å; W47-M49 VanDerWaalsContact C-N 3.34Å; W47-M49 PolarHBondContact O-N 2.84Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 PolarHBondContact O-N 3.17Å; M49-L52 PolarHBondContact O-N 2.69Å; M49-E53 WeakPolarHBondContact O-CB 3.26Å; M49-E53 PolarHBondContact O-N 3.31Å
50E92.7Very high91.8Very high94 Ų94103 Ų10344%0.43949%0.488SS..Hα-helixtrans-62.7-38.9176.6-72.9177.9-165.800112.2Q46 W47 E53 K54Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 2.76Å; W47-E50 PolarHBondContact O-N 3Å; E50-E53 PolarHBondContact O-N 3.47Å; E50-K54 WeakPolarHBondContact O-CB 3.34Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.61Å
51D91.9Very high92Very high32 Ų32106 Ų10617%0.17149%0.489CS..Hα-helixtrans-67.2-39.4177.8-165.176000110.9W47 M49 R55 Y65 K69W47-D51 VanDerWaalsContact O-CB 3.29Å; W47-D51 WeakPolarHBondContact O-CB 3.34Å; W47-D51 PolarHBondContact O-N 2.98Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 PolarHBondContact O-N 3.17Å; D51-R55 VanDerWaalsContact O-CB 3.29Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.76Å; D51-Y65 WeakPolarHBondContact OD1-CE1 3.48Å; D51-Y65 PolarHBondContact OD1-OH 3.43Å; D51-K69 IonicContact OD1-NZ 2.76Å; D51-K69 PolarHBondContact OD1-NZ 3.44Å; D51-K69 IonicContact OD2-NZ 3.88Å
52L92.4Very high92Very high88 Ų88103.3 Ų103.346%0.46150%0.498SS..Hα-helixtrans-65.1-44.5173.3-76.7172.1000112.5E48 M49 R55 Q56E48-L52 WeakPolarHBondContact O-CB 3.38Å; E48-L52 VanDerWaalsContact O-CG 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.39Å; M49-L52 PolarHBondContact O-N 2.69Å; L52-R55 WeakPolarHBondContact O-CB 3.34Å; L52-R55 PolarHBondContact O-N 2.92Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.23Å
53E93.4Very high91.9Very high132 Ų132104.7 Ų104.762%0.61751%0.505SS*.Hα-helixtrans-60.6-47.9177.9-174.6176.5-167.300111.1M49 E50 R55 Q56 E57M49-E53 WeakPolarHBondContact O-CB 3.26Å; M49-E53 PolarHBondContact O-N 3.31Å; E50-E53 PolarHBondContact O-N 3.47Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 2.87Å; E53-Q56 PolarHBondContact O-N 3.22Å; E53-E57 WeakPolarHBondContact O-CB 3.44Å; E53-E57 PolarHBondContact O-N 3.35Å
54K92.2Very high91.8Very high101 Ų101102.4 Ų102.444%0.43950%0.497SS..Hα-helixtrans-63.5-34.2176.1-69.5170.7-176.1165.90112.6E50 E57 A58 Y65E50-K54 WeakPolarHBondContact O-CB 3.34Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.61Å; K54-E57 PolarHBondContact O-N 2.91Å; K54-A58 WeakPolarHBondContact O-CB 3.18Å; K54-A58 PolarHBondContact O-N 3.16Å; K54-Y65 HydrophobicContact CB-CD2 4.2Å; K54-Y65 HydrophobicContact CB-CE2 3.4Å; K54-Y65 VanDerWaalsContact CB-CE2 3.4Å; K54-Y65 HydrophobicContact CD-CE2 4.46Å
55R92.2Very high91.7Very high137 Ų13795.6 Ų95.652%0.51747%0.471SS..Hα-helixtrans-67.1-42.7175.5-169.8174.1-171.1171.15.3111.7D51 L52 E53 A58 E59 Y65D51-R55 VanDerWaalsContact O-CB 3.29Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.76Å; L52-R55 WeakPolarHBondContact O-CB 3.34Å; L52-R55 PolarHBondContact O-N 2.92Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 2.87Å; R55-A58 PolarHBondContact O-N 2.95Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; R55-Y65 HydrophobicContact CB-CD1 3.86Å; R55-Y65 HydrophobicContact CB-CE1 4.25Å; R55-Y65 HydrophobicContact CB-CG 4Å; R55-Y65 HydrophobicContact CG-CD1 3.98Å; R55-Y65 HydrophobicContact CG-CG 4.12Å
56Q92.5Very high91.5Very high131 Ų13195.4 Ų95.461%0.61247%0.472SS*.Hα-helixtrans-65-40.6174.2-71.9178.88.200111.6L52 E53 E59 S60L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.23Å; E53-Q56 PolarHBondContact O-N 3.22Å; Q56-E59 PolarHBondContact O-N 3.3Å; Q56-S60 WeakPolarHBondContact O-CB 3.5Å; Q56-S60 PolarHBondContact O-N 3.43Å
57E92.7Very high91.1Very high95 Ų9596 Ų9644%0.44448%0.475SS..Hα-helixtrans-61.8-46.3175.2-167.7-172.6170.100111.4E53 K54 S60 K61E53-E57 WeakPolarHBondContact O-CB 3.44Å; E53-E57 PolarHBondContact O-N 3.35Å; K54-E57 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-S60 PolarHBondContact O-OG 2.6Å; E57-K61 WeakPolarHBondContact O-CG 3.41Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.1Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 2.66Å; E57-K61 PolarHBondContact OE1-NZ 2.92Å
58A91.5Very high90.9Very high7 Ų791.2 Ų91.26%0.05846%0.461CS..Hα-helixtrans-61.3-43.5174.900000111.8K54 R55 S60 K61 G62 E63 Y65K54-A58 WeakPolarHBondContact O-CB 3.18Å; K54-A58 PolarHBondContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 2.95Å; A58-S60 PolarHBondContact O-N 3.36Å; A58-K61 CarbonylContact O-C 3.55Å; A58-K61 PolarHBondContact O-N 3.49Å; A58-K61 VanDerWaalsContact O-N 3.12Å; A58-G62 PolarHBondContact O-N 2.92Å; A58-E63 CarbonylContact C-O 3.53Å; A58-E63 HydrophobicContact CB-CB 4.48Å; A58-E63 PolarHBondContact O-N 3.41Å; A58-Y65 HydrophobicContact CB-CD2 4.12Å; A58-Y65 HydrophobicContact CB-CG 4.44Å
59E90.3Very high90.7Very high149 Ų14991.6 Ų91.670%0.69646%0.462SS*.Hα-helixtrans-62.1-41.3176.5-172.4172.2-166.500111.7R55 Q56 K61 G62R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; Q56-E59 PolarHBondContact O-N 3.3Å; E59-K61 VanDerWaalsContact C-N 3.25Å; E59-K61 PolarHBondContact O-N 3.23Å; E59-G62 PolarHBondContact O-N 3.22Å
60S92.6Very high90.3Very high101 Ų10191.1 Ų91.171%0.70646%0.461SS*.Hα-helixtrans-64.1-28.617577.50000113.6Q56 E57 A58 G62Q56-S60 WeakPolarHBondContact O-CB 3.5Å; Q56-S60 PolarHBondContact O-N 3.43Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-S60 PolarHBondContact O-OG 2.6Å; A58-S60 PolarHBondContact O-N 3.36Å; S60-G62 VanDerWaalsContact C-N 3.35Å
61K92.3Very high89.9Confident123 Ų12393.7 Ų93.754%0.53548%0.477SS..Hα-helixtrans-85-9.7175.3-68.8174.6-173.6169.20112.7E57 A58 E59 E63E57-K61 WeakPolarHBondContact O-CG 3.41Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.1Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 2.66Å; E57-K61 PolarHBondContact OE1-NZ 2.92Å; A58-K61 CarbonylContact O-C 3.55Å; A58-K61 PolarHBondContact O-N 3.49Å; A58-K61 VanDerWaalsContact O-N 3.12Å; E59-K61 VanDerWaalsContact C-N 3.25Å; E59-K61 PolarHBondContact O-N 3.23Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 HydrophobicContact CB-CG 4.23Å
62G90.4Very high89.6Confident73 Ų7398.6 Ų98.675%0.75350%0.503SS*.THydrogen-bonded Turntrans75.120.8-173.900000114A58 E59 S60A58-G62 PolarHBondContact O-N 2.92Å; E59-G62 PolarHBondContact O-N 3.22Å; S60-G62 VanDerWaalsContact C-N 3.35Å
63E88.2Confident89.2Confident102 Ų10296.6 Ų96.648%0.47750%0.495SS..  trans-98.7148.4179.2-65.1-179.8168.500111.5A58 K61 Y65 V68A58-E63 CarbonylContact C-O 3.53Å; A58-E63 HydrophobicContact CB-CB 4.48Å; A58-E63 PolarHBondContact O-N 3.41Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 HydrophobicContact CB-CG 4.23Å; E63-Y65 PolarHBondContact O-N 3.45Å; E63-V68 HydrophobicContact CB-CG2 4.06Å; E63-V68 WeakPolarHBondContact OE2-CG2 3.34Å
64D88.9Confident88.9Confident82 Ų8296.4 Ų96.444%0.43949%0.494SS..  trans-78.9107.7170.8-179.53.1000110D66 Q67 V68D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 VanDerWaalsContact O-N 3.16Å; D64-D66 PolarHBondContact OD1-N 2.91Å; D64-D66 VanDerWaalsContact OD1-N 3.17Å; D64-Q67 HydrophobicContact CB-CB 4.29Å; D64-Q67 HydrophobicContact CB-CG 4.11Å; D64-Q67 WeakPolarHBondContact O-CB 3.29Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.44Å; D64-Q67 PolarHBondContact OD2-NE2 2.98Å; D64-V68 PolarHBondContact O-N 3.4Å; D64-V68 VanDerWaalsContact O-N 3.11Å
65Y89.5Confident88.5Confident24 Ų2495.3 Ų95.39%0.09450%0.499CS..Hα-helixtrans-53.7-36-178.4179.6-118.9000113.1D51 K54 R55 A58 E63 Q67 V68 K69D51-Y65 WeakPolarHBondContact OD1-CE1 3.48Å; D51-Y65 PolarHBondContact OD1-OH 3.43Å; K54-Y65 HydrophobicContact CB-CD2 4.2Å; K54-Y65 HydrophobicContact CB-CE2 3.4Å; K54-Y65 VanDerWaalsContact CB-CE2 3.4Å; K54-Y65 HydrophobicContact CD-CE2 4.46Å; R55-Y65 HydrophobicContact CB-CD1 3.86Å; R55-Y65 HydrophobicContact CB-CE1 4.25Å; R55-Y65 HydrophobicContact CB-CG 4Å; R55-Y65 HydrophobicContact CG-CD1 3.98Å; R55-Y65 HydrophobicContact CG-CG 4.12Å; A58-Y65 HydrophobicContact CB-CD2 4.12Å; A58-Y65 HydrophobicContact CB-CG 4.44Å; E63-Y65 PolarHBondContact O-N 3.45Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Y65-V68 PolarHBondContact O-N 2.71Å; Y65-K69 HydrophobicContact CE1-CD 4.07Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.38Å
66D87.1Confident88.1Confident90 Ų9092.3 Ų92.348%0.48149%0.493SS..Hα-helixtrans-66.8-35.7-179.4-76.1-26.1000111.2D64 L70D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 VanDerWaalsContact O-N 3.16Å; D64-D66 PolarHBondContact OD1-N 2.91Å; D64-D66 VanDerWaalsContact OD1-N 3.17Å; D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 WeakPolarHBondContact O-CD1 3.35Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.88Å
67Q85.5Confident87.8Confident123 Ų12392.7 Ų92.758%0.57549%0.493SS*.Hα-helixtrans-69.5-46.5174.5-67.6179.647.300111.4D64 Y65 K69 L70 L71D64-Q67 HydrophobicContact CB-CB 4.29Å; D64-Q67 HydrophobicContact CB-CG 4.11Å; D64-Q67 WeakPolarHBondContact O-CB 3.29Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.44Å; D64-Q67 PolarHBondContact OD2-NE2 2.98Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.88Å; Q67-L70 PolarHBondContact O-N 3.26Å; Q67-L70 VanDerWaalsContact O-N 3.14Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 2.88Å
68V87.7Confident87.4Confident43 Ų4390.3 Ų90.326%0.26149%0.485SS..Hα-helixtrans-59.3-41.2176.8177.60000111E63 D64 Y65 L71 N72E63-V68 HydrophobicContact CB-CG2 4.06Å; E63-V68 WeakPolarHBondContact OE2-CG2 3.34Å; D64-V68 PolarHBondContact O-N 3.4Å; D64-V68 VanDerWaalsContact O-N 3.11Å; Y65-V68 PolarHBondContact O-N 2.71Å; V68-L71 PolarHBondContact O-N 3.31Å; V68-N72 PolarHBondContact O-ND2 3.47Å; V68-N72 VanDerWaalsContact O-ND2 3.09Å
69K87.3Confident87.1Confident73 Ų7396.3 Ų96.332%0.31751%0.512SS..Hα-helixtrans-62.5-45.9175.8-173.9170.6-174.9163.90111.2D51 Y65 Q67 L71 N72 V73D51-K69 IonicContact OD1-NZ 2.76Å; D51-K69 PolarHBondContact OD1-NZ 3.44Å; D51-K69 IonicContact OD2-NZ 3.88Å; Y65-K69 HydrophobicContact CE1-CD 4.07Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.38Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.09Å; K69-N72 PolarHBondContact O-N 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.44Å
70L84.6Confident86.9Confident113 Ų11396 Ų9659%0.59251%0.508SS*.Hα-helixtrans-63.7-34.3178.9-75.4168.1000113.2D66 Q67 N72 V73D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 WeakPolarHBondContact O-CD1 3.35Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.88Å; Q67-L70 PolarHBondContact O-N 3.26Å; Q67-L70 VanDerWaalsContact O-N 3.14Å; L70-N72 PolarHBondContact O-N 3.41Å; L70-V73 PolarHBondContact O-N 3.28Å; L70-V73 VanDerWaalsContact O-N 3.1Å
71L85.9Confident86.6Confident148 Ų14893.2 Ų93.278%0.77549%0.488SS*.Hα-helixtrans-61.3-31.8176.1-71.8172000112.9Q67 V68 K69 V73Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 3.31Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.09Å; L71-V73 VanDerWaalsContact C-N 3.35Å
72N84.5Confident86.2Confident135 Ų13591.9 Ų91.972%0.72248%0.484SS*.THydrogen-bonded Turntrans-83.8-8.7178.2-68.8-53.1000113.5V68 K69 L70V68-N72 PolarHBondContact O-ND2 3.47Å; V68-N72 VanDerWaalsContact O-ND2 3.09Å; K69-N72 PolarHBondContact O-N 3.29Å; L70-N72 PolarHBondContact O-N 3.41Å
73V84.7Confident85.9Confident47 Ų4793.5 Ų93.529%0.28547%0.472SS..SBendtrans-86.3118.9178.3-1720000109.6K69 L70 L71 S75 F77 V78K69-V73 WeakPolarHBondContact O-CG2 3.44Å; L70-V73 PolarHBondContact O-N 3.28Å; L70-V73 VanDerWaalsContact O-N 3.1Å; L71-V73 VanDerWaalsContact C-N 3.35Å; V73-S75 PolarHBondContact O-N 2.87Å; V73-F77 HydrophobicContact CG1-CB 4.13Å; V73-F77 HydrophobicContact CG1-CD1 3.63Å; V73-F77 HydrophobicContact CG1-CG 4.3Å; V73-V78 HydrophobicContact CB-CG2 4.1Å; V73-V78 HydrophobicContact CG1-CG2 3.5Å
74Q85.8Confident85.5Confident128 Ų12893.7 Ų93.760%0.59847%0.474SS*.  trans-55.5134.9172.3-173.5176.3-25.600111D76 F77 V78Q74-D76 HydrophobicContact CG-CB 4.33Å; Q74-D76 PolarHBondContact NE2-OD2 3.43Å; Q74-D76 PolarHBondContact O-N 2.95Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; Q74-F77 WeakPolarHBondContact O-CB 3.35Å; Q74-F77 PolarHBondContact O-N 2.89Å; Q74-V78 PolarHBondContact O-N 3.43Å
75S83.9Confident85.2Confident77 Ų7796.2 Ų96.254%0.53848%0.481SS..Hα-helixtrans-49.4-43.7-179.952.60000112.8V73 F77 V78 E79V73-S75 PolarHBondContact O-N 2.87Å; S75-F77 PolarHBondContact O-N 2.89Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 3.21Å; S75-V78 VanDerWaalsContact O-N 3.08Å; S75-E79 PolarHBondContact O-N 3.45Å
76D85.6Confident84.8Confident74 Ų74103.5 Ų103.540%0.39651%0.509SS..Hα-helixtrans-60.4-34.3-179.2-57.2-21.2000112.5Q74 K80Q74-D76 HydrophobicContact CG-CB 4.33Å; Q74-D76 PolarHBondContact NE2-OD2 3.43Å; Q74-D76 PolarHBondContact O-N 2.95Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.48Å
77F85.1Confident84.2Confident140 Ų140105.4 Ų105.461%0.61451%0.513SS*.Hα-helixtrans-72.1-40.5177-175.8-94.4000111.1V73 Q74 S75 K80 S81V73-F77 HydrophobicContact CG1-CB 4.13Å; V73-F77 HydrophobicContact CG1-CD1 3.63Å; V73-F77 HydrophobicContact CG1-CG 4.3Å; Q74-F77 WeakPolarHBondContact O-CB 3.35Å; Q74-F77 PolarHBondContact O-N 2.89Å; S75-F77 PolarHBondContact O-N 2.89Å; F77-K80 PolarHBondContact O-N 3.47Å; F77-S81 WeakPolarHBondContact O-CB 3.39Å; F77-S81 PolarHBondContact O-N 3.35Å
78V83.9Confident83.8Confident45 Ų45107.6 Ų107.627%0.27352%0.52SS..Hα-helixtrans-60.5-48.5174.8-179.80000110.3V73 Q74 S75 K80 S81 Q82V73-V78 HydrophobicContact CB-CG2 4.1Å; V73-V78 HydrophobicContact CG1-CG2 3.5Å; Q74-V78 PolarHBondContact O-N 3.43Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 3.21Å; S75-V78 VanDerWaalsContact O-N 3.08Å; V78-K80 PolarHBondContact O-N 3.5Å; V78-S81 PolarHBondContact O-N 3.02Å; V78-Q82 HydrophobicContact CG1-CG 4.33Å; V78-Q82 WeakPolarHBondContact O-CB 3.46Å; V78-Q82 VanDerWaalsContact O-CG 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.47Å
79E85.6Confident83.3Confident133 Ų133113.9 Ų113.962%0.62154%0.544SS*.Hα-helixtrans-60.7-47.3178.9-72-171.1176.300112.1S75 S81 Q82 Q83S75-E79 PolarHBondContact O-N 3.45Å; E79-S81 PolarHBondContact O-N 3.39Å; E79-Q82 PolarHBondContact O-N 3.43Å; E79-Q83 WeakPolarHBondContact O-CB 3.36Å; E79-Q83 PolarHBondContact O-N 2.89Å
80K85.8Confident83.1Confident142 Ų142114.8 Ų114.862%0.61755%0.552SS**Hα-helixtrans-60.8-45.7176-74.8173.1-174.8173.30111.3D76 F77 V78 Q83 M84D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.48Å; F77-K80 PolarHBondContact O-N 3.47Å; V78-K80 PolarHBondContact O-N 3.5Å; K80-Q83 PolarHBondContact O-N 3Å; K80-M84 WeakPolarHBondContact O-CB 3.48Å; K80-M84 VanDerWaalsContact O-CG 3.24Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.06Å
81S86.2Confident83.2Confident42 Ų42113.3 Ų113.329%0.29455%0.55SS..Hα-helixtrans-60.8-46.4178-178.20000111.6F77 V78 E79 Q83 M84 K85F77-S81 WeakPolarHBondContact O-CB 3.39Å; F77-S81 PolarHBondContact O-N 3.35Å; V78-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-N 3.39Å; S81-Q83 PolarHBondContact O-N 2.95Å; S81-M84 PolarHBondContact O-N 3.41Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.18Å
82Q85.3Confident83.2Confident95 Ų95110.8 Ų110.844%0.44454%0.537SS..Hα-helixtrans-61.8-42.7174.8-72.2-171.62900111.8V78 E79 M84 K85 R86V78-Q82 HydrophobicContact CG1-CG 4.33Å; V78-Q82 WeakPolarHBondContact O-CB 3.46Å; V78-Q82 VanDerWaalsContact O-CG 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.47Å; E79-Q82 PolarHBondContact O-N 3.43Å; Q82-M84 VanDerWaalsContact C-N 3.34Å; Q82-M84 PolarHBondContact O-N 3.41Å; Q82-K85 PolarHBondContact O-N 3.42Å; Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.45Å; Q82-R86 PolarHBondContact O-N 3.32Å
83Q82.8Confident83.4Confident107 Ų107110.9 Ų110.950%0.554%0.542SS..Hα-helixtrans-61.9-42.6176.7-165.3-169.272.100111.4E79 K80 S81 R86 K87E79-Q83 WeakPolarHBondContact O-CB 3.36Å; E79-Q83 PolarHBondContact O-N 2.89Å; K80-Q83 PolarHBondContact O-N 3Å; S81-Q83 PolarHBondContact O-N 2.95Å; Q83-R86 WeakPolarHBondContact O-CB 3.43Å; Q83-R86 PolarHBondContact O-N 2.94Å; Q83-K87 WeakPolarHBondContact O-CG 3.44Å; Q83-K87 PolarHBondContact O-N 3.47Å
84M80.7Confident83.5Confident106 Ų106110.5 Ų110.552%0.52255%0.548SS..Hα-helixtrans-65.5-42.4176.4-67.9-62.8-90.600111.6K80 S81 Q82 R86 K87 K88K80-M84 WeakPolarHBondContact O-CB 3.48Å; K80-M84 VanDerWaalsContact O-CG 3.24Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.06Å; S81-M84 PolarHBondContact O-N 3.41Å; Q82-M84 VanDerWaalsContact C-N 3.34Å; Q82-M84 PolarHBondContact O-N 3.41Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.21Å; M84-K87 PolarHBondContact O-N 2.93Å; M84-K87 HydrophobicContact SD-CD 4.21Å; M84-K88 WeakPolarHBondContact O-CG 3.49Å; M84-K88 PolarHBondContact O-N 2.88Å
85K83Confident83.8Confident136 Ų136110.5 Ų110.559%0.59155%0.546SS*.Hα-helixtrans-59.6-42.1172.6-72.3177.5-175.9-177.50111.3S81 Q82 K88 K89S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.18Å; Q82-K85 PolarHBondContact O-N 3.42Å; K85-K88 PolarHBondContact O-N 3.23Å; K85-K89 PolarHBondContact O-N 3.22Å
86R79.7Confident84.1Confident177 Ų177110.4 Ų110.467%0.66855%0.545SS*.Hα-helixtrans-62.5-42.1175.4-72174-175.4-166.64.6112.1Q82 Q83 M84 K88 K89Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.45Å; Q82-R86 PolarHBondContact O-N 3.32Å; Q83-R86 WeakPolarHBondContact O-CB 3.43Å; Q83-R86 PolarHBondContact O-N 2.94Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.21Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 2.86Å; R86-K89 WeakPolarHBondContact O-CB 3.34Å; R86-K89 PolarHBondContact O-N 2.86Å
87K75.4Confident84.6Confident129 Ų129110.2 Ų110.256%0.56155%0.547SS*.Hα-helixtrans-62.2-40.6176.2-72.1174.6-175.6169.60112Q83 M84 K89 N90Q83-K87 WeakPolarHBondContact O-CG 3.44Å; Q83-K87 PolarHBondContact O-N 3.47Å; M84-K87 PolarHBondContact O-N 2.93Å; M84-K87 HydrophobicContact SD-CD 4.21Å; K87-K89 PolarHBondContact O-N 2.99Å; K87-N90 PolarHBondContact O-N 3.26Å
88K76.5Confident85.1Confident169 Ų169112 Ų11274%0.73555%0.551SS**Hα-helixtrans-63.7-18.3176.2-70.5-177.8-178.9-173.40113.8M84 K85 R86M84-K88 WeakPolarHBondContact O-CG 3.49Å; M84-K88 PolarHBondContact O-N 2.88Å; K85-K88 PolarHBondContact O-N 3.23Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 2.86Å
89K78.1Confident85.7Confident175 Ų175116.1 Ų116.176%0.76157%0.571SS**THydrogen-bonded Turntrans-77.4-13.2179.1-68.4-175.5178.9-169.40114.6K85 R86 K87 P91K85-K89 PolarHBondContact O-N 3.22Å; R86-K89 WeakPolarHBondContact O-CB 3.34Å; R86-K89 PolarHBondContact O-N 2.86Å; K87-K89 PolarHBondContact O-N 2.99Å; K89-P91 WeakPolarHBondContact O-CD 3.37Å
90N82.2Confident86.1Confident92 Ų92111.6 Ų111.649%0.49256%0.557SS.*SBendtrans-124.959.2178.1-169.116.8000111.6K87K87-N90 PolarHBondContact O-N 3.26Å
91P87.1Confident86.4Confident82 Ų82108.5 Ų108.553%0.53255%0.546SS..  trans-64.3154.517831-34.4000110.5K89 V93K89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-V93 PolarHBondContact O-N 2.9Å
92D85.8Confident86.8Confident96 Ų96110.6 Ų110.651%0.51356%0.557SS.*  trans-78.1117.4169-156.3-33.7000108.8G94 R104D92-G94 PolarHBondContact O-N 2.93Å; D92-G94 PolarHBondContact OD1-N 3.4Å; D92-G94 VanDerWaalsContact OD1-N 3.09Å; D92-R104 IonicContact OD1-NH1 3.63Å; D92-R104 IonicContact OD2-CZ 2.69Å; D92-R104 IonicContact OD2-NH1 2.6Å; D92-R104 PolarHBondContact OD2-NH1 3.34Å; D92-R104 IonicContact OD2-NH2 3.31Å
93V87.6Confident87.2Confident136 Ų136111 Ų11182%0.82456%0.561SS**  trans-82.1-1.6179.9-65.40000112.6P91P91-V93 PolarHBondContact O-N 2.9Å
94G87.6Confident87.7Confident40 Ų40110.8 Ų110.841%0.41256%0.556SS.*  trans95.2175.3-172.900000112.4D92 S96D92-G94 PolarHBondContact O-N 2.93Å; D92-G94 PolarHBondContact OD1-N 3.4Å; D92-G94 VanDerWaalsContact OD1-N 3.09Å; G94-S96 PolarHBondContact O-N 3.21Å
95F91.9Very high88.3Confident127 Ų127110 Ų11056%0.55755%0.551SS**  trans-74.2122.4179.1178.7-104.2000110.7Y98 M101F95-Y98 HydrophobicContact CE2-CD1 4.01Å; F95-Y98 HydrophobicContact CE2-CE1 4.01Å; F95-Y98 HydrophobicContact CE2-CG 4.36Å; F95-Y98 HydrophobicContact CZ-CD1 4.22Å; F95-Y98 HydrophobicContact CZ-CD2 4.18Å; F95-Y98 HydrophobicContact CZ-CE1 4.04Å; F95-Y98 HydrophobicContact CZ-CE2 4.01Å; F95-Y98 HydrophobicContact CZ-CG 4.29Å; F95-Y98 AromaticContact CZ-CZ 3.94Å; F95-M101 HydrophobicContact CD2-CG 3.9Å; F95-M101 HydrophobicContact CD2-SD 3.3Å; F95-M101 WeakPolarHBondContact CD2-SD 3.3Å; F95-M101 HydrophobicContact CE2-CG 4.13Å; F95-M101 HydrophobicContact CE2-SD 3.49Å; F95-M101 WeakPolarHBondContact CE2-SD 3.32Å
96S91.2Very high88.8Confident75 Ų75110.3 Ų110.352%0.52455%0.549SS..  trans-109.6-71.1170.657.30000111.2G94 A100G94-S96 PolarHBondContact O-N 3.21Å; S96-A100 WeakPolarHBondContact OG-CB 3.35Å
97T96Very high89.5Confident70 Ų70105.1 Ų105.143%0.42954%0.535SS..  trans-134.8158.117764.50000110.6D99 A100 M101T97-D99 PolarHBondContact O-N 2.97Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-A100 WeakPolarHBondContact OG1-CB 3.49Å; T97-A100 PolarHBondContact OG1-N 3.2Å; T97-M101 PolarHBondContact O-N 3.44Å; T97-M101 VanDerWaalsContact O-N 3.1Å
98Y95.1Very high90.3Very high178 Ų178102.8 Ų102.870%0.69852%0.523SS*.Hα-helixtrans-62-33.8174.6-70.1-71.2000111.8F95 M101 T102F95-Y98 HydrophobicContact CE2-CD1 4.01Å; F95-Y98 HydrophobicContact CE2-CE1 4.01Å; F95-Y98 HydrophobicContact CE2-CG 4.36Å; F95-Y98 HydrophobicContact CZ-CD1 4.22Å; F95-Y98 HydrophobicContact CZ-CD2 4.18Å; F95-Y98 HydrophobicContact CZ-CE1 4.04Å; F95-Y98 HydrophobicContact CZ-CE2 4.01Å; F95-Y98 HydrophobicContact CZ-CG 4.29Å; F95-Y98 AromaticContact CZ-CZ 3.94Å; Y98-M101 PolarHBondContact O-N 2.99Å; Y98-T102 WeakPolarHBondContact O-CB 3.31Å; Y98-T102 PolarHBondContact O-N 3.14Å; Y98-T102 PolarHBondContact O-OG1 3.22Å
99D95.8Very high91.2Very high131 Ų13196 Ų9670%0.70149%0.494SS*.Hα-helixtrans-64-45.8176.2-59.2-27.9000111.6T97 M101 T102 L103T97-D99 PolarHBondContact O-N 2.97Å; D99-M101 PolarHBondContact O-N 2.93Å; D99-T102 PolarHBondContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 PolarHBondContact O-N 2.82Å
100A94.8Very high91.9Very high38 Ų3890.1 Ų90.131%0.31447%0.473SS..Hα-helixtrans-63.8-40.5177.800000112S96 T97 T102 R104S96-A100 WeakPolarHBondContact OG-CB 3.35Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-A100 WeakPolarHBondContact OG1-CB 3.49Å; T97-A100 PolarHBondContact OG1-N 3.2Å; A100-T102 VanDerWaalsContact C-N 3.35Å; A100-R104 WeakPolarHBondContact O-CB 3.39Å; A100-R104 PolarHBondContact O-N 3.16Å
101M92.3Very high92.4Very high78 Ų7895.2 Ų95.238%0.38449%0.485SS..Hα-helixtrans-61.4-44.5172.6-75.4-165.980.700111.9F95 T97 Y98 D99 R104 Q105 F167F95-M101 HydrophobicContact CD2-CG 3.9Å; F95-M101 HydrophobicContact CD2-SD 3.3Å; F95-M101 WeakPolarHBondContact CD2-SD 3.3Å; F95-M101 HydrophobicContact CE2-CG 4.13Å; F95-M101 HydrophobicContact CE2-SD 3.49Å; F95-M101 WeakPolarHBondContact CE2-SD 3.32Å; T97-M101 PolarHBondContact O-N 3.44Å; T97-M101 VanDerWaalsContact O-N 3.1Å; Y98-M101 PolarHBondContact O-N 2.99Å; D99-M101 PolarHBondContact O-N 2.93Å; M101-R104 PolarHBondContact O-N 3.13Å; M101-Q105 WeakPolarHBondContact O-CB 3.41Å; M101-Q105 PolarHBondContact O-N 3.21Å; M101-F167 HydrophobicContact CE-CE2 4.15Å; M101-F167 HydrophobicContact CE-CZ 4.08Å
102T93.7Very high92.5Very high86 Ų8695.9 Ų95.953%0.52848%0.481SS..Hα-helixtrans-64.8-44.8-179.1-59.20000110.4Y98 D99 A100 R104 Q105 Y106Y98-T102 WeakPolarHBondContact O-CB 3.31Å; Y98-T102 PolarHBondContact O-N 3.14Å; Y98-T102 PolarHBondContact O-OG1 3.22Å; D99-T102 PolarHBondContact O-N 3.13Å; A100-T102 VanDerWaalsContact C-N 3.35Å; T102-R104 VanDerWaalsContact C-N 3.34Å; T102-R104 PolarHBondContact O-N 2.89Å; T102-Q105 PolarHBondContact O-N 3.03Å; T102-Y106 VanDerWaalsContact O-CB 3.29Å; T102-Y106 WeakPolarHBondContact O-CB 3.49Å; T102-Y106 PolarHBondContact O-N 3.41Å
103L94.6Very high92.8Very high102 Ų10297 Ų9753%0.53449%0.486SS..Hα-helixtrans-60.9-41.7175-178.463000111.8D99 Y106 N107D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 PolarHBondContact O-N 2.82Å; L103-Y106 PolarHBondContact O-N 3.48Å; L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.27Å; L103-N107 PolarHBondContact O-N 3.34Å; L103-N107 PolarHBondContact O-ND2 3Å
104R92.3Very high93Very high104 Ų10499.7 Ų99.739%0.39249%0.487SS..Hα-helixtrans-64.5-42.5175.8-173.6175.2-179-120.67.4111.7D92 A100 M101 T102 R108D92-R104 IonicContact OD1-NH1 3.63Å; D92-R104 IonicContact OD2-CZ 2.69Å; D92-R104 IonicContact OD2-NH1 2.6Å; D92-R104 PolarHBondContact OD2-NH1 3.34Å; D92-R104 IonicContact OD2-NH2 3.31Å; A100-R104 WeakPolarHBondContact O-CB 3.39Å; A100-R104 PolarHBondContact O-N 3.16Å; M101-R104 PolarHBondContact O-N 3.13Å; T102-R104 VanDerWaalsContact C-N 3.34Å; T102-R104 PolarHBondContact O-N 2.89Å; R104-R108 PolarHBondContact O-N 3.34Å; R104-R108 VanDerWaalsContact O-N 3.13Å
105Q92.9Very high93.2Very high88 Ų88102 Ų10241%0.41150%0.495SS..Hα-helixtrans-62.5-47.6174.1170.5173.8-12.600111.2M101 T102 R108 L109M101-Q105 WeakPolarHBondContact O-CB 3.41Å; M101-Q105 PolarHBondContact O-N 3.21Å; T102-Q105 PolarHBondContact O-N 3.03Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.25Å; Q105-R108 VanDerWaalsContact O-N 3.14Å; Q105-L109 HydrophobicContact CG-CD1 3.82Å; Q105-L109 HydrophobicContact CG-CG 4.37Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.17Å
106Y94.8Very high93.1Very high143 Ų14399.3 Ų99.356%0.56149%0.486SS*.Hα-helixtrans-57.4-53178.6176-103.2000110.9T102 L103 R108 L109 T110T102-Y106 VanDerWaalsContact O-CB 3.29Å; T102-Y106 WeakPolarHBondContact O-CB 3.49Å; T102-Y106 PolarHBondContact O-N 3.41Å; L103-Y106 PolarHBondContact O-N 3.48Å; Y106-R108 PolarHBondContact O-N 3.47Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; Y106-L109 PolarHBondContact O-N 2.9Å; Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 3.99Å; Y106-T110 HydrophobicContact CE1-CG2 3.67Å; Y106-T110 HydrophobicContact CE2-CG2 3.57Å; Y106-T110 HydrophobicContact CG-CG2 4.23Å; Y106-T110 WeakPolarHBondContact O-CG2 3.32Å; Y106-T110 PolarHBondContact O-N 3.16Å; Y106-T110 PolarHBondContact O-OG1 3.34Å; Y106-T110 VanDerWaalsContact O-OG1 3.13Å
107N94Very high93.2Very high68 Ų68102 Ų10236%0.36449%0.489SS..Hα-helixtrans-58.1-31.4176.8-74.3-29.1000113.3L103 T110 R111L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.27Å; L103-N107 PolarHBondContact O-N 3.34Å; L103-N107 PolarHBondContact O-ND2 3Å; N107-T110 WeakPolarHBondContact CA-OG1 3.4Å; N107-T110 PolarHBondContact O-OG1 3.15Å; N107-R111 WeakPolarHBondContact O-CB 3.44Å; N107-R111 WeakPolarHBondContact O-CD 3.43Å; N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 2.88Å
108R92Very high93Very high81 Ų81103.8 Ų103.831%0.30649%0.492SS..Hα-helixtrans-71.3-45173.8-179.9-173.158.267.9-1.7111.2R104 Q105 Y106 Q112R104-R108 PolarHBondContact O-N 3.34Å; R104-R108 VanDerWaalsContact O-N 3.13Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.25Å; Q105-R108 VanDerWaalsContact O-N 3.14Å; Y106-R108 PolarHBondContact O-N 3.47Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; R108-Q112 WeakPolarHBondContact O-CG 3.29Å; R108-Q112 PolarHBondContact O-N 3.26Å
109L94.5Very high92.7Very high26 Ų2697.8 Ų97.814%0.13647%0.47CS..Hα-helixtrans-67.4-45.7-179.5-68.7170.7000111.1Q105 Y106 R111 Q112 L113 Q160Q105-L109 HydrophobicContact CG-CD1 3.82Å; Q105-L109 HydrophobicContact CG-CG 4.37Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.17Å; Y106-L109 PolarHBondContact O-N 2.9Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.88Å; L109-Q112 WeakPolarHBondContact O-CA 3.21Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.35Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.09Å; L109-Q160 HydrophobicContact CD1-CG 4.44Å; L109-Q160 HydrophobicContact CD2-CG 3.92Å
110T94.2Very high92.5Very high51 Ų5196.6 Ų96.631%0.31346%0.457SS..Hα-helixtrans-59.8-35.4177.954.50000113.1Y106 N107 Q112Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 3.99Å; Y106-T110 HydrophobicContact CE1-CG2 3.67Å; Y106-T110 HydrophobicContact CE2-CG2 3.57Å; Y106-T110 HydrophobicContact CG-CG2 4.23Å; Y106-T110 WeakPolarHBondContact O-CG2 3.32Å; Y106-T110 PolarHBondContact O-N 3.16Å; Y106-T110 PolarHBondContact O-OG1 3.34Å; Y106-T110 VanDerWaalsContact O-OG1 3.13Å; N107-T110 WeakPolarHBondContact CA-OG1 3.4Å; N107-T110 PolarHBondContact O-OG1 3.15Å; T110-Q112 VanDerWaalsContact C-N 3.28Å; T110-Q112 PolarHBondContact O-N 2.96Å
111R91.7Very high92.4Very high199 Ų199101.5 Ų101.575%0.75147%0.467SS*.Hα-helixtrans-69.2-22.6172.7-74174.2-179-173.51.4114.1N107 L109N107-R111 WeakPolarHBondContact O-CB 3.44Å; N107-R111 WeakPolarHBondContact O-CD 3.43Å; N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.88Å
112Q90.5Very high92.3Very high97 Ų97105.5 Ų105.545%0.45348%0.478SS..Hα-helixtrans-88.8-23.5-179.7-72.4178-24.600112.2R108 L109 T110 K114R108-Q112 WeakPolarHBondContact O-CG 3.29Å; R108-Q112 PolarHBondContact O-N 3.26Å; L109-Q112 WeakPolarHBondContact O-CA 3.21Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.35Å; T110-Q112 VanDerWaalsContact C-N 3.28Å; T110-Q112 PolarHBondContact O-N 2.96Å; Q112-K114 PolarHBondContact O-N 2.89Å
113L91.6Very high92.1Very high118 Ų118103.9 Ų103.962%0.61847%0.465SS*.  trans-63.5128.5176-67.3172.3000110.7L109L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.09Å
114K91.2Very high91.9Very high193 Ų193102.8 Ų102.884%0.83946%0.456SS*.  trans-113.7104.1171.4-66.7-178.1-177.9178.70107.9Q112Q112-K114 PolarHBondContact O-N 2.89Å
115P91.7Very high91.8Very high90 Ų90104.2 Ų104.258%0.58447%0.471SS*.  trans-68.1140.8-179.127.6-33.4000110.9F117P115-F117 HydrophobicContact CG-CE1 4.29Å; P115-F117 HydrophobicContact CG-CE2 4.25Å; P115-F117 HydrophobicContact CG-CZ 3.9Å; P115-F117 PolarHBondContact O-N 3.38Å
116D91Very high91.6Very high69 Ų69107.5 Ų107.537%0.36949%0.485SS..  trans-85.2105.9170.1-175.8-19000109E118 E119 Y120D116-E118 VanDerWaalsContact C-N 3.3Å; D116-E118 PolarHBondContact O-N 3.05Å; D116-E118 PolarHBondContact OD1-N 3.34Å; D116-E119 HydrophobicContact CB-CB 3.97Å; D116-E119 PolarHBondContact OD1-N 3.02Å; D116-E119 VanDerWaalsContact OD1-N 3.16Å; D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 3.47Å
117F92.9Very high91.2Very high132 Ų132102.1 Ų102.158%0.57947%0.465SS*.Hα-helixtrans-70.7-23.3-177.9-68.3-70.3000113.3P115 R121P115-F117 HydrophobicContact CG-CE1 4.29Å; P115-F117 HydrophobicContact CG-CE2 4.25Å; P115-F117 HydrophobicContact CG-CZ 3.9Å; P115-F117 PolarHBondContact O-N 3.38Å; F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 WeakPolarHBondContact O-CG 3.47Å; F117-R121 PolarHBondContact O-N 2.86Å
118E92.3Very high90.8Very high107 Ų107100.8 Ų100.850%0.547%0.468SS..Hα-helixtrans-78.1-42.4177.8-67.4-57.2145.600111D116 Y120 R121 R122D116-E118 VanDerWaalsContact C-N 3.3Å; D116-E118 PolarHBondContact O-N 3.05Å; D116-E118 PolarHBondContact OD1-N 3.34Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 3.97Å; E118-R121 IonicContact OE1-NH1 2.95Å; E118-R121 PolarHBondContact OE1-NH1 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 3.46Å
119E88.7Confident90.5Very high52 Ų52106 Ų10624%0.24350%0.496CS..Hα-helixtrans-59.1-44.8169.4-171.4171.8-158.600111.1D116 R121 R122 M123 R152D116-E119 HydrophobicContact CB-CB 3.97Å; D116-E119 PolarHBondContact OD1-N 3.02Å; D116-E119 VanDerWaalsContact OD1-N 3.16Å; E119-R121 PolarHBondContact O-N 2.92Å; E119-R122 PolarHBondContact O-N 2.89Å; E119-M123 WeakPolarHBondContact O-CB 3.35Å; E119-M123 PolarHBondContact O-N 3.1Å; E119-R152 IonicContact OE2-CZ 3.96Å; E119-R152 IonicContact OE2-NH2 2.92Å; E119-R152 PolarHBondContact OE2-NH2 3.46Å
120Y91.1Very high90.2Very high106 Ų106109.5 Ų109.542%0.41651%0.512SS..Hα-helixtrans-58.2-47.3174.9174.8-90.4000112.8D116 E118 M123 K124 F131D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 3.47Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; Y120-M123 PolarHBondContact O-N 3.38Å; Y120-K124 HydrophobicContact CE1-CD 4.37Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.03Å; Y120-F131 AromaticContact CD2-CZ 3.93Å; Y120-F131 HydrophobicContact CD2-CZ 3.93Å; Y120-F131 AromaticContact CE2-CE1 3.87Å; Y120-F131 HydrophobicContact CE2-CE1 3.87Å; Y120-F131 AromaticContact CE2-CZ 3.38Å; Y120-F131 HydrophobicContact CE2-CZ 3.38Å; Y120-F131 AromaticContact CZ-CE1 3.79Å; Y120-F131 AromaticContact CZ-CZ 3.7Å
121R93.4Very high89.9Confident141 Ų141108.9 Ų108.953%0.53251%0.505SS..Hα-helixtrans-63.7-42.5178.1-77.5169.8-177.8172.8-1.9112.2F117 E118 E119 K124 N125F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 WeakPolarHBondContact O-CG 3.47Å; F117-R121 PolarHBondContact O-N 2.86Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 3.97Å; E118-R121 IonicContact OE1-NH1 2.95Å; E118-R121 PolarHBondContact OE1-NH1 3.27Å; E119-R121 PolarHBondContact O-N 2.92Å; R121-K124 PolarHBondContact O-N 2.9Å; R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.48Å
122R90.2Very high89.8Confident163 Ų163106.2 Ų106.262%0.61550%0.496SS*.Hα-helixtrans-60.4-46.7176.2-74.9-174.9-67.4161.50.6111.4E118 E119 N125 F126E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 3.46Å; E119-R122 PolarHBondContact O-N 2.89Å; R122-N125 PolarHBondContact O-N 3.06Å; R122-F126 WeakPolarHBondContact O-CB 3.23Å; R122-F126 PolarHBondContact O-N 2.86Å
123M87.9Confident89.7Confident51 Ų51105 Ų10525%0.25150%0.496SS..Hα-helixtrans-62.9-42.2176.8-171.860.86400111.8E119 Y120 N125 F126 L127 F131E119-M123 WeakPolarHBondContact O-CB 3.35Å; E119-M123 PolarHBondContact O-N 3.1Å; Y120-M123 PolarHBondContact O-N 3.38Å; M123-N125 PolarHBondContact O-N 2.98Å; M123-F126 PolarHBondContact O-N 3.12Å; M123-L127 HydrophobicContact CG-CD1 3.99Å; M123-L127 PolarHBondContact O-N 2.96Å; M123-L127 HydrophobicContact SD-CD1 3.82Å; M123-L127 HydrophobicContact SD-CG 4.14Å; M123-F131 HydrophobicContact CB-CE2 4.4Å; M123-F131 HydrophobicContact CG-CD2 4.45Å; M123-F131 HydrophobicContact CG-CE2 4.13Å
124K90.7Very high89.7Confident79 Ų79103 Ų10334%0.34349%0.492SS..Hα-helixtrans-60.8-42176-177.7172.2175.8170.50112.7Y120 R121 G128 F131 Y132Y120-K124 HydrophobicContact CE1-CD 4.37Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.03Å; R121-K124 PolarHBondContact O-N 2.9Å; K124-G128 PolarHBondContact O-N 3.39Å; K124-F131 VanDerWaalsContact CA-CD2 3.43Å; K124-F131 HydrophobicContact CB-CD1 4.3Å; K124-F131 HydrophobicContact CB-CD2 3.93Å; K124-F131 HydrophobicContact CB-CE1 4.29Å; K124-F131 HydrophobicContact CB-CE2 3.92Å; K124-F131 HydrophobicContact CB-CG 4.12Å; K124-F131 HydrophobicContact CB-CZ 4.11Å; K124-F131 HydrophobicContact CD-CD1 4.27Å; K124-F131 HydrophobicContact CD-CE1 4.29Å; K124-F131 HydrophobicContact CG-CD1 3.96Å; K124-F131 HydrophobicContact CG-CD2 4.33Å; K124-F131 HydrophobicContact CG-CE1 4.25Å; K124-F131 HydrophobicContact CG-CG 4Å; K124-Y132 PolarHBondContact NZ-OH 2.92Å
125N91Very high89.7Confident134 Ų134101 Ų10172%0.71750%0.495SS*.Hα-helixtrans-70.3-34.6177.3-69.1-14.5000112.4R121 R122 M123R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.48Å; R122-N125 PolarHBondContact O-N 3.06Å; M123-N125 PolarHBondContact O-N 2.98Å
126F87.7Confident89.5Confident157 Ų157103.7 Ų103.769%0.68951%0.505SS*.Hα-helixtrans-68.5-45.1178.3179.6-103.1000112.4R122 M123R122-F126 WeakPolarHBondContact O-CB 3.23Å; R122-F126 PolarHBondContact O-N 2.86Å; M123-F126 PolarHBondContact O-N 3.12Å
127L86.5Confident89.2Confident30 Ų30102.9 Ų102.916%0.15750%0.503CS..Hα-helixtrans-84.2-21.8-178.1-66.7175000113.8M123 E129 E130 F131 I139 A142M123-L127 HydrophobicContact CG-CD1 3.99Å; M123-L127 PolarHBondContact O-N 2.96Å; M123-L127 HydrophobicContact SD-CD1 3.82Å; M123-L127 HydrophobicContact SD-CG 4.14Å; L127-E129 PolarHBondContact O-N 2.82Å; L127-E129 VanDerWaalsContact O-N 3.15Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-F131 HydrophobicContact CB-CB 4.01Å; L127-F131 HydrophobicContact CB-CD2 4.37Å; L127-F131 HydrophobicContact CD1-CD2 4.11Å; L127-I139 HydrophobicContact CD2-CG2 4.18Å; L127-A142 HydrophobicContact CD2-CB 3.83Å
128G86.7Confident88.9Confident41 Ų41102.8 Ų102.842%0.42351%0.507SS..G310 helixtrans59.1-117.8178.400000112.5K124 F131K124-G128 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-CB 3.29Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 3.17Å
129E86.2Confident88.3Confident189 Ų189100.2 Ų100.288%0.88350%0.497SS*.G310 helixtrans-71.4-31.1178.8-63.5-170.8168.300112.7L127 F131 Y132L127-E129 PolarHBondContact O-N 2.82Å; L127-E129 VanDerWaalsContact O-N 3.15Å; E129-F131 PolarHBondContact O-N 3.31Å; E129-F131 VanDerWaalsContact O-N 3.15Å; E129-Y132 PolarHBondContact O-N 3.42Å
130E86.6Confident87.5Confident101 Ų101104.8 Ų104.847%0.47252%0.518SS..G310 helixtrans-69.8-9.7178.6-61.9-173.117100112.9L127 Y132 P133L127-E130 PolarHBondContact O-N 3.41Å; E130-Y132 PolarHBondContact O-N 3.3Å; E130-Y132 VanDerWaalsContact O-N 3.16Å; E130-P133 WeakPolarHBondContact O-CD 3.39Å
131F88.5Confident86.3Confident37 Ų37105.8 Ų105.816%0.16253%0.531CS..G310 helixtrans-60.3-24.3176.2-172.6-99.8000113.1Y120 M123 K124 L127 G128 E129 P133Y120-F131 AromaticContact CD2-CZ 3.93Å; Y120-F131 HydrophobicContact CD2-CZ 3.93Å; Y120-F131 AromaticContact CE2-CE1 3.87Å; Y120-F131 HydrophobicContact CE2-CE1 3.87Å; Y120-F131 AromaticContact CE2-CZ 3.38Å; Y120-F131 HydrophobicContact CE2-CZ 3.38Å; Y120-F131 AromaticContact CZ-CE1 3.79Å; Y120-F131 AromaticContact CZ-CZ 3.7Å; M123-F131 HydrophobicContact CB-CE2 4.4Å; M123-F131 HydrophobicContact CG-CD2 4.45Å; M123-F131 HydrophobicContact CG-CE2 4.13Å; K124-F131 VanDerWaalsContact CA-CD2 3.43Å; K124-F131 HydrophobicContact CB-CD1 4.3Å; K124-F131 HydrophobicContact CB-CD2 3.93Å; K124-F131 HydrophobicContact CB-CE1 4.29Å; K124-F131 HydrophobicContact CB-CE2 3.92Å; K124-F131 HydrophobicContact CB-CG 4.12Å; K124-F131 HydrophobicContact CB-CZ 4.11Å; K124-F131 HydrophobicContact CD-CD1 4.27Å; K124-F131 HydrophobicContact CD-CE1 4.29Å; K124-F131 HydrophobicContact CG-CD1 3.96Å; K124-F131 HydrophobicContact CG-CD2 4.33Å; K124-F131 HydrophobicContact CG-CE1 4.25Å; K124-F131 HydrophobicContact CG-CG 4Å; L127-F131 HydrophobicContact CB-CB 4.01Å; L127-F131 HydrophobicContact CB-CD2 4.37Å; L127-F131 HydrophobicContact CD1-CD2 4.11Å; G128-F131 VanDerWaalsContact O-CB 3.29Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 3.17Å; E129-F131 PolarHBondContact O-N 3.31Å; E129-F131 VanDerWaalsContact O-N 3.15Å; F131-P133 WeakPolarHBondContact O-CD 3.37Å
132Y89.8Confident85Confident144 Ų144100.2 Ų100.257%0.56552%0.515SS*.SBendtrans-111.872.6176.9-59.8-69.3000110.3K124 E129 E130K124-Y132 PolarHBondContact NZ-OH 2.92Å; E129-Y132 PolarHBondContact O-N 3.42Å; E130-Y132 PolarHBondContact O-N 3.3Å; E130-Y132 VanDerWaalsContact O-N 3.16Å
133P89Confident84.3Confident72 Ų7298 Ų9847%0.46851%0.511SS..  trans-68.3141.4-175.127.8-34.2000111.8E130 F131 T137 I139E130-P133 WeakPolarHBondContact O-CD 3.39Å; F131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-T137 HydrophobicContact CB-CG2 4.04Å; P133-I139 HydrophobicContact CB-CD1 4.04Å; P133-I139 HydrophobicContact CG-CD1 4.11Å
134S90.3Very high83.9Confident75 Ų75104.3 Ų104.352%0.52453%0.533SS..  trans-83.5170.5160.569.40000110.3N136 T137S134-N136 PolarHBondContact O-N 3.43Å; S134-T137 PolarHBondContact N-OG1 3.23Å; S134-T137 WeakPolarHBondContact O-CB 3.36Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact O-OG1 3.4Å; S134-T137 PolarHBondContact OG-OG1 2.77Å
135V90.9Very high83.7Confident150 Ų150103.4 Ų103.491%0.90954%0.535SS*.THydrogen-bonded Turntrans-52.3-28178.2-177.10000112.8
136N89Confident83.6Confident148 Ų148100 Ų10079%0.79152%0.523SS*.THydrogen-bonded Turntrans-101.13.6-176.9-57.9-26.9000113.9S134 L138S134-N136 PolarHBondContact O-N 3.43Å; N136-L138 PolarHBondContact O-N 3.43Å
137T85.1Confident83.8Confident52 Ų5298.3 Ų98.332%0.31952%0.521SS..  trans-82.9110.6-179-520000109P133 S134 I139P133-T137 HydrophobicContact CB-CG2 4.04Å; S134-T137 PolarHBondContact N-OG1 3.23Å; S134-T137 WeakPolarHBondContact O-CB 3.36Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact O-OG1 3.4Å; S134-T137 PolarHBondContact OG-OG1 2.77Å; T137-I139 HydrophobicContact CG2-CG1 4.26Å; T137-I139 PolarHBondContact O-N 2.99Å
138L84.8Confident84.1Confident129 Ų129104.5 Ų104.568%0.67555%0.546SS*.  trans-89.2102.2178.3-177.263.4000109.4N136 Q140N136-L138 PolarHBondContact O-N 3.43Å; L138-Q140 HydrophobicContact CD1-CG 4.36Å; L138-Q140 HydrophobicContact CD2-CG 3.82Å; L138-Q140 VanDerWaalsContact CD2-NE2 3.3Å; L138-Q140 HydrophobicContact CG-CG 3.68Å; L138-Q140 PolarHBondContact O-N 3.3Å
139I80Confident84.3Confident54 Ų54103.7 Ų103.728%0.27754%0.536SS..  trans-9099.3172.2-43.9177.8000107.8L127 P133 T137 A142L127-I139 HydrophobicContact CD2-CG2 4.18Å; P133-I139 HydrophobicContact CB-CD1 4.04Å; P133-I139 HydrophobicContact CG-CD1 4.11Å; T137-I139 HydrophobicContact CG2-CG1 4.26Å; T137-I139 PolarHBondContact O-N 2.99Å; I139-A142 HydrophobicContact CB-CB 4.3Å; I139-A142 HydrophobicContact CG2-CB 3.11Å
140Q71.7Confident84.7Confident147 Ų14798.3 Ų98.369%0.68751%0.512SS*.  trans-81.8135.4176.9-59-171-3600110L138 A142L138-Q140 HydrophobicContact CD1-CG 4.36Å; L138-Q140 HydrophobicContact CD2-CG 3.82Å; L138-Q140 VanDerWaalsContact CD2-NE2 3.3Å; L138-Q140 HydrophobicContact CG-CG 3.68Å; L138-Q140 PolarHBondContact O-N 3.3Å; Q140-A142 PolarHBondContact O-N 3.22Å
141D67.5Low85.2Confident128 Ų12898.4 Ų98.468%0.68452%0.516SS*.SBendtrans57.315.7172-55.2-30.5000117.8H143 Y144D141-H143 PolarHBondContact O-N 2.81Å; D141-Y144 HydrophobicContact CB-CE2 4.47Å
142A65.3Low85.4Confident24 Ų24102.5 Ų102.520%0.19853%0.53CS..  trans-75-20.5-169.700000116.7L127 I139 Q140L127-A142 HydrophobicContact CD2-CB 3.83Å; I139-A142 HydrophobicContact CB-CB 4.3Å; I139-A142 HydrophobicContact CG2-CB 3.11Å; Q140-A142 PolarHBondContact O-N 3.22Å
143H75Confident85.6Confident115 Ų115101 Ų10153%0.53253%0.531SS..  trans-139.894-170.1-168.8-73.6000113.2D141 P145D141-H143 PolarHBondContact O-N 2.81Å; H143-P145 WeakPolarHBondContact O-CD 3.3Å
144Y80.2Confident86Confident184 Ų184100.7 Ų100.772%0.72253%0.528SS*.  trans-91.6109.2159-63.7-81.3000108D141 S146D141-Y144 HydrophobicContact CB-CE2 4.47Å; Y144-S146 PolarHBondContact O-N 3.46Å
145P85.1Confident86.3Confident60 Ų60102.7 Ų102.739%0.3953%0.529SS..  trans-58.9135.8176.823.9-30.9000109.2H143 A149 I150H143-P145 WeakPolarHBondContact O-CD 3.3Å; P145-A149 HydrophobicContact CB-CB 4.26Å; P145-I150 HydrophobicContact CB-CG1 4.05Å; P145-I150 HydrophobicContact CG-CD1 4.13Å; P145-I150 HydrophobicContact CG-CG1 3.99Å
146S89.4Confident86.5Confident64 Ų6497.6 Ų97.645%0.44850%0.497SS..  trans-59148.1168.61760000109.9Y144 K148 A149 I150Y144-S146 PolarHBondContact O-N 3.46Å; S146-K148 PolarHBondContact O-N 3.44Å; S146-K148 VanDerWaalsContact O-N 3.08Å; S146-A149 WeakPolarHBondContact O-CA 3.24Å; S146-A149 VanDerWaalsContact O-CB 3.32Å; S146-A149 WeakPolarHBondContact O-CB 3.48Å; S146-A149 PolarHBondContact O-N 2.86Å; S146-I150 PolarHBondContact O-N 3.45Å; S146-I150 VanDerWaalsContact O-N 3.17Å
147D93.2Very high86.8Confident121 Ų12193.7 Ų93.765%0.64748%0.478SS*.Hα-helixtrans-48.6-39.2173.9-60.4-24.4000111.9A149 I150 D151D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.91Å; D147-I150 WeakPolarHBondContact O-CB 3.38Å; D147-I150 PolarHBondContact O-N 2.85Å; D147-I150 VanDerWaalsContact O-N 3.12Å; D147-D151 VanDerWaalsContact O-CG 3.3Å; D147-D151 PolarHBondContact O-N 3.18Å
148K92.2Very high87.4Confident160 Ų16096.7 Ų96.770%0.69649%0.488SS*.Hα-helixtrans-61.1-35175.6-64.6-174.9-179.5-179.60113.5S146 R152S146-K148 PolarHBondContact O-N 3.44Å; S146-K148 VanDerWaalsContact O-N 3.08Å; K148-R152 WeakPolarHBondContact O-CG 3.45Å; K148-R152 PolarHBondContact O-N 3.19Å; K148-R152 VanDerWaalsContact O-N 3.09Å
149A91.6Very high87.8Confident24 Ų2494 Ų9420%0.19847%0.472CS..Hα-helixtrans-71.9-37.5176.700000111.1P145 S146 D147 L153P145-A149 HydrophobicContact CB-CB 4.26Å; S146-A149 WeakPolarHBondContact O-CA 3.24Å; S146-A149 VanDerWaalsContact O-CB 3.32Å; S146-A149 WeakPolarHBondContact O-CB 3.48Å; S146-A149 PolarHBondContact O-N 2.86Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.91Å; A149-L153 PolarHBondContact O-N 2.87Å; A149-L153 VanDerWaalsContact O-N 3.16Å
150I94.4Very high88.5Confident75 Ų7593.9 Ų93.939%0.38547%0.47SS..Hα-helixtrans-63.9-47.4173.3-58175000109.8P145 S146 D147 R152 L153 V154P145-I150 HydrophobicContact CB-CG1 4.05Å; P145-I150 HydrophobicContact CG-CD1 4.13Å; P145-I150 HydrophobicContact CG-CG1 3.99Å; S146-I150 PolarHBondContact O-N 3.45Å; S146-I150 VanDerWaalsContact O-N 3.17Å; D147-I150 WeakPolarHBondContact O-CB 3.38Å; D147-I150 PolarHBondContact O-N 2.85Å; D147-I150 VanDerWaalsContact O-N 3.12Å; I150-R152 VanDerWaalsContact C-N 3.35Å; I150-R152 PolarHBondContact O-N 3.46Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.07Å; I150-V154 HydrophobicContact CG2-CG2 4.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.49Å; I150-V154 PolarHBondContact O-N 3.46Å
151D95.9Very high89.6Confident103 Ų10392.4 Ų92.455%0.55147%0.465SS*.Hα-helixtrans-58.7-44.2178.3-69.7-24.7000112D147 L153 V154 E155D147-D151 VanDerWaalsContact O-CG 3.3Å; D147-D151 PolarHBondContact O-N 3.18Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.02Å; D151-V154 PolarHBondContact O-N 3.43Å; D151-E155 WeakPolarHBondContact O-CB 3.3Å; D151-E155 PolarHBondContact O-N 3.27Å
152R93.3Very high90.9Very high123 Ų12391.1 Ų91.146%0.46446%0.455SS..Hα-helixtrans-57.6-42174.3-77.4-173.2-65.1-179.9-2112.1E119 K148 I150 D156E119-R152 IonicContact OE2-CZ 3.96Å; E119-R152 IonicContact OE2-NH2 2.92Å; E119-R152 PolarHBondContact OE2-NH2 3.46Å; K148-R152 WeakPolarHBondContact O-CG 3.45Å; K148-R152 PolarHBondContact O-N 3.19Å; K148-R152 VanDerWaalsContact O-N 3.09Å; I150-R152 VanDerWaalsContact C-N 3.35Å; I150-R152 PolarHBondContact O-N 3.46Å; R152-D156 PolarHBondContact O-N 3Å; R152-D156 VanDerWaalsContact O-N 3.1Å
153L93.9Very high92.1Very high112 Ų11294 Ų9459%0.58646%0.463SS*.Hα-helixtrans-67.2-45.2177.7175.868.8000111.1A149 I150 D151 E155 D156 V157A149-L153 PolarHBondContact O-N 2.87Å; A149-L153 VanDerWaalsContact O-N 3.16Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.07Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.02Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.89Å; L153-D156 PolarHBondContact O-N 3.12Å; L153-V157 HydrophobicContact CD1-CG2 4.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.4Å
154V96.9Very high92.9Very high66 Ų6698.5 Ų98.540%0.448%0.475SS..Hα-helixtrans-60.6-43.9178.6170.70000110.5I150 D151 V157 H158I150-V154 HydrophobicContact CG2-CG2 4.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.49Å; I150-V154 PolarHBondContact O-N 3.46Å; D151-V154 PolarHBondContact O-N 3.43Å; V154-V157 PolarHBondContact O-N 3.28Å; V154-H158 PolarHBondContact O-CD2 3.38Å; V154-H158 PolarHBondContact O-N 3.43Å
155E96.2Very high93.4Very high118 Ų11893.9 Ų93.955%0.55147%0.469SS*.Hα-helixtrans-59.7-47.7175.3-167.7-173.2168.500111.6D151 L153 V157 H158 Q159D151-E155 WeakPolarHBondContact O-CB 3.3Å; D151-E155 PolarHBondContact O-N 3.27Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.89Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.34Å; E155-H158 PolarHBondContact O-N 3.02Å; E155-Q159 WeakPolarHBondContact O-CG 3.17Å; E155-Q159 PolarHBondContact O-N 3.47Å; E155-Q159 PolarHBondContact OE1-NE2 2.91Å
156D95Very high93.7Very high42 Ų4297 Ų9723%0.22548%0.477CS..Hα-helixtrans-62.1-40.7177.5-175.958.1000111.8R152 L153 H158 Q159 Q160R152-D156 PolarHBondContact O-N 3Å; R152-D156 VanDerWaalsContact O-N 3.1Å; L153-D156 PolarHBondContact O-N 3.12Å; D156-H158 PolarHBondContact O-N 2.94Å; D156-Q159 PolarHBondContact O-N 2.74Å; D156-Q160 WeakPolarHBondContact O-CB 3.43Å; D156-Q160 VanDerWaalsContact O-CG 3.26Å; D156-Q160 WeakPolarHBondContact O-CG 3.5Å; D156-Q160 PolarHBondContact O-N 3.09Å; D156-Q160 PolarHBondContact OD2-NE2 2.8Å
157V96Very high93.5Very high66 Ų66100.8 Ų100.840%0.449%0.486SS..Hα-helixtrans-60.3-44.9174.8170.70000111.1L153 V154 E155 Q159 Q160 M161L153-V157 HydrophobicContact CD1-CG2 4.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.4Å; V154-V157 PolarHBondContact O-N 3.28Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.07Å; V157-Q160 WeakPolarHBondContact O-CB 3.4Å; V157-Q160 PolarHBondContact O-N 3.49Å; V157-M161 HydrophobicContact CG1-SD 4.29Å; V157-M161 WeakPolarHBondContact O-CG 3.46Å; V157-M161 PolarHBondContact O-N 3.41Å
158H97Very high93.1Very high116 Ų116105.6 Ų105.654%0.53750%0.495SS..Hα-helixtrans-61.8-43.2175.3-76-55.4000112.2V154 E155 D156 Q160 M161 E162V154-H158 PolarHBondContact O-CD2 3.38Å; V154-H158 PolarHBondContact O-N 3.43Å; E155-H158 PolarHBondContact O-N 3.02Å; D156-H158 PolarHBondContact O-N 2.94Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 2.91Å; H158-M161 PolarHBondContact O-N 3.48Å; H158-E162 PolarHBondContact O-N 3.38Å
159Q94.9Very high92.7Very high73 Ų73108.8 Ų108.834%0.34150%0.503SS..Hα-helixtrans-62.4-37.6174.9-68.7-178.825.900112.1E155 D156 V157 K163E155-Q159 WeakPolarHBondContact O-CG 3.17Å; E155-Q159 PolarHBondContact O-N 3.47Å; E155-Q159 PolarHBondContact OE1-NE2 2.91Å; D156-Q159 PolarHBondContact O-N 2.74Å; V157-Q159 PolarHBondContact O-N 3.07Å; Q159-K163 WeakPolarHBondContact O-CB 3.46Å; Q159-K163 WeakPolarHBondContact O-CG 3.33Å; Q159-K163 PolarHBondContact O-N 3.09Å
160Q94.2Very high92.3Very high50 Ų50113.5 Ų113.523%0.23453%0.534CS..Hα-helixtrans-65.2-43174.5-72.2-174.749.800111.6L109 D156 V157 H158 K163 R164L109-Q160 HydrophobicContact CD1-CG 4.44Å; L109-Q160 HydrophobicContact CD2-CG 3.92Å; D156-Q160 WeakPolarHBondContact O-CB 3.43Å; D156-Q160 VanDerWaalsContact O-CG 3.26Å; D156-Q160 WeakPolarHBondContact O-CG 3.5Å; D156-Q160 PolarHBondContact O-N 3.09Å; D156-Q160 PolarHBondContact OD2-NE2 2.8Å; V157-Q160 WeakPolarHBondContact O-CB 3.4Å; V157-Q160 PolarHBondContact O-N 3.49Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 2.91Å; Q160-K163 PolarHBondContact O-N 3.1Å; Q160-R164 WeakPolarHBondContact O-CB 3.33Å; Q160-R164 PolarHBondContact O-N 3.46Å
161M94.4Very high91.8Very high117 Ų117120.9 Ų120.958%0.57656%0.557SS**Hα-helixtrans-61.9-43.5175.5-71176.768.500111.9V157 H158 R164 S165V157-M161 HydrophobicContact CG1-SD 4.29Å; V157-M161 WeakPolarHBondContact O-CG 3.46Å; V157-M161 PolarHBondContact O-N 3.41Å; H158-M161 PolarHBondContact O-N 3.48Å; M161-R164 PolarHBondContact O-N 2.81Å; M161-S165 PolarHBondContact O-N 3.19Å
162E94.4Very high91.3Very high101 Ų101124.1 Ų124.147%0.47257%0.572SS.*Hα-helixtrans-65.2-41.5177.6-165.6-165.4172.900112H158 R164 S165 K166H158-E162 PolarHBondContact O-N 3.38Å; E162-R164 VanDerWaalsContact C-N 3.3Å; E162-R164 PolarHBondContact O-N 2.88Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 PolarHBondContact O-OG 3.24Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.64Å; E162-K166 PolarHBondContact OE1-NZ 3.32Å
163K91.9Very high90.9Very high84 Ų84123.5 Ų123.537%0.36557%0.573SS.*Hα-helixtrans-62.6-39.3173.1-76172.9-176.3154.20111.4Q159 Q160 K166 F167Q159-K163 WeakPolarHBondContact O-CB 3.46Å; Q159-K163 WeakPolarHBondContact O-CG 3.33Å; Q159-K163 PolarHBondContact O-N 3.09Å; Q160-K163 PolarHBondContact O-N 3.1Å; K163-K166 PolarHBondContact O-N 3.14Å; K163-F167 PolarHBondContact O-N 2.88Å
164R91.3Very high90.6Very high210 Ų210122.4 Ų122.479%0.79257%0.568SS**Hα-helixtrans-67.9-39.2178.1-174.3177.1175.1-175-1.5112Q160 M161 E162 K166 F167Q160-R164 WeakPolarHBondContact O-CB 3.33Å; Q160-R164 PolarHBondContact O-N 3.46Å; M161-R164 PolarHBondContact O-N 2.81Å; E162-R164 VanDerWaalsContact C-N 3.3Å; E162-R164 PolarHBondContact O-N 2.88Å; R164-K166 VanDerWaalsContact C-N 3.28Å; R164-K166 PolarHBondContact O-N 3.49Å; R164-F167 WeakPolarHBondContact O-CB 3.37Å; R164-F167 PolarHBondContact O-N 2.64Å; R164-F167 VanDerWaalsContact O-N 3.17Å
165S91.1Very high90.2Very high86 Ų86123.5 Ų123.560%0.60158%0.577SS**Hα-helixtrans-63.8-36176.872.10000111.6M161 E162 F167M161-S165 PolarHBondContact O-N 3.19Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 PolarHBondContact O-OG 3.24Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 2.91Å
166K90.4Very high89.9Confident126 Ų126124.9 Ų124.955%0.54859%0.587SS.*THydrogen-bonded Turntrans-78.2-4.1176.2-65.2174.8-173.4173.70114.8E162 K163 R164 R168E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.64Å; E162-K166 PolarHBondContact OE1-NZ 3.32Å; K163-K166 PolarHBondContact O-N 3.14Å; R164-K166 VanDerWaalsContact C-N 3.28Å; R164-K166 PolarHBondContact O-N 3.49Å; K166-R168 PolarHBondContact O-N 2.98Å
167F86.4Confident89.6Confident143 Ų143124.9 Ų124.963%0.62759%0.594SS**THydrogen-bonded Turntrans-59-37.6179.1-178.8-102.9000111.8M101 K163 R164 S165M101-F167 HydrophobicContact CE-CE2 4.15Å; M101-F167 HydrophobicContact CE-CZ 4.08Å; K163-F167 PolarHBondContact O-N 2.88Å; R164-F167 WeakPolarHBondContact O-CB 3.37Å; R164-F167 PolarHBondContact O-N 2.64Å; R164-F167 VanDerWaalsContact O-N 3.17Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 2.91Å
168R83.8Confident89.2Confident223 Ų223127.8 Ų127.884%0.84261%0.614SS**SBendtrans-92.7100.6172.7-66.4-173.8179.8-153.91109.3K166K166-R168 PolarHBondContact O-N 2.98Å
169R83.6Confident88.8Confident227 Ų227127.6 Ų127.686%0.85762%0.616SS**PPolyproline II helixtrans-75.6127.4169.9-68178.6165.2-174.1-7.6109.5R171R169-R171 PolarHBondContact O-N 3.18Å
170S82.6Confident88.6Confident122 Ų122129.3 Ų129.385%0.85363%0.627SS**PPolyproline II helixtrans-65.8131.4168.9-166.40000108.6
171R84.1Confident88.5Confident231 Ų231129.2 Ų129.287%0.87263%0.626SS**PPolyproline II helixtrans-79.4139.2170.3-63.4-178.5179.8-165.3-2.4107.9R169 F173R169-R171 PolarHBondContact O-N 3.18Å; R171-F173 PolarHBondContact O-N 2.83Å
172I85.3Confident88.4Confident170 Ų170131.4 Ų131.487%0.87264%0.638SS**PPolyproline II helixtrans-60.7130.9175-58.6168.9000107D174I172-D174 PolarHBondContact O-N 3.19Å
173F85.3Confident88.4Confident110 Ų110130.7 Ų130.748%0.48264%0.638SS.*PPolyproline II helixtrans-74.3123172.3177.5-104.1000108.2R171 P175 F181R171-F173 PolarHBondContact O-N 2.83Å; F173-P175 HydrophobicContact CE1-CB 4.28Å; F173-P175 WeakPolarHBondContact O-CD 3.2Å; F173-F181 HydrophobicContact CE2-CZ 4.1Å
174D88.1Confident88.3Confident89 Ų89130.9 Ų130.948%0.47664%0.643SS.*  trans-87112172.5-175.4-3.6000108.3I172 D176 A177I172-D174 PolarHBondContact O-N 3.19Å; D174-D176 PolarHBondContact O-N 3.38Å; D174-D176 PolarHBondContact OD1-N 3.37Å; D174-A177 HydrophobicContact CB-CB 4.17Å
175P87.7Confident88.5Confident90 Ų90131.2 Ų131.258%0.58464%0.644SS**THydrogen-bonded Turntrans-68.8-19-179.830.3-35.2000113.3F173F173-P175 HydrophobicContact CE1-CB 4.28Å; F173-P175 WeakPolarHBondContact O-CD 3.2Å
176D90.1Very high88.6Confident146 Ų146129.5 Ų129.578%0.78163%0.628SS**THydrogen-bonded Turntrans-92.6-7.1-175.9-61.4-32.4000112.6D174D174-D176 PolarHBondContact O-N 3.38Å; D174-D176 PolarHBondContact OD1-N 3.37Å
177A89Confident88.7Confident43 Ų43126.4 Ų126.436%0.35561%0.613SS.*SBendtrans-67.3140.3177.200000111.3D174 I179D174-A177 HydrophobicContact CB-CB 4.17Å; A177-I179 PolarHBondContact O-N 3.45Å; A177-I179 VanDerWaalsContact O-N 3.17Å
178P87.3Confident89Confident126 Ų126127.3 Ų127.382%0.81861%0.612SS**  trans-59.2122.7178.323.4-32.5000110.6D180P178-D180 PolarHBondContact O-N 3.23Å
179I89.9Confident89.6Confident113 Ų113123.2 Ų123.258%0.57960%0.598SS**  trans-84.8109.9-176.3-58.4174.6000109.1A177 F181A177-I179 PolarHBondContact O-N 3.45Å; A177-I179 VanDerWaalsContact O-N 3.17Å; I179-F181 HydrophobicContact CG2-CD1 4.05Å; I179-F181 HydrophobicContact CG2-CD2 4.31Å; I179-F181 HydrophobicContact CG2-CE1 3.92Å; I179-F181 HydrophobicContact CG2-CE2 4.19Å; I179-F181 HydrophobicContact CG2-CG 4.23Å; I179-F181 HydrophobicContact CG2-CZ 3.98Å; I179-F181 WeakPolarHBondContact CG2-O 3.37Å
180D90.7Very high90.1Very high108 Ų108113.7 Ų113.758%0.57856%0.564SS**  trans-101.710.8177.270.2-3.2000113.4P178 N190P178-D180 PolarHBondContact O-N 3.23Å; D180-N190 PolarHBondContact O-ND2 3.07Å; D180-N190 PolarHBondContact OD1-ND2 3.31Å; D180-N190 PolarHBondContact OD2-ND2 3.05Å
181F92.2Very high90.6Very high49 Ų49112.3 Ų112.322%0.21554%0.544CS..  trans-132.9147.6-17162.8-93.9000113.5F173 I179 N186 R187F173-F181 HydrophobicContact CE2-CZ 4.1Å; I179-F181 HydrophobicContact CG2-CD1 4.05Å; I179-F181 HydrophobicContact CG2-CD2 4.31Å; I179-F181 HydrophobicContact CG2-CE1 3.92Å; I179-F181 HydrophobicContact CG2-CE2 4.19Å; I179-F181 HydrophobicContact CG2-CG 4.23Å; I179-F181 HydrophobicContact CG2-CZ 3.98Å; I179-F181 WeakPolarHBondContact CG2-O 3.37Å; F181-N186 HydrophobicContact CB-CB 4.2Å; F181-R187 HydrophobicContact CB-CB 3.98Å; F181-R187 HydrophobicContact CD1-CB 3.7Å; F181-R187 HydrophobicContact CD1-CG 3.57Å; F181-R187 HydrophobicContact CD2-CB 3.72Å; F181-R187 HydrophobicContact CD2-CG 4.29Å; F181-R187 HydrophobicContact CE1-CB 4.11Å; F181-R187 HydrophobicContact CE1-CG 3.61Å; F181-R187 HydrophobicContact CE2-CB 4.12Å; F181-R187 HydrophobicContact CE2-CG 4.31Å; F181-R187 HydrophobicContact CG-CB 3.5Å; F181-R187 HydrophobicContact CG-CG 3.94Å; F181-R187 HydrophobicContact CZ-CB 4.31Å; F181-R187 HydrophobicContact CZ-CG 4Å
182I92.3Very high91.2Very high163 Ų163106.3 Ų106.384%0.83652%0.524SS*.SBendtrans-93.8-32.2176.2-58.9171.7000111.5
183N92.7Very high91.7Very high86 Ų86101.1 Ų101.146%0.4650%0.498SS..SBendtrans-141167.8-178.269.642.8000111.6R185 N186 R187N183-R185 VanDerWaalsContact C-N 3.28Å; N183-R185 PolarHBondContact O-N 3.18Å; N183-R185 WeakPolarHBondContact OD1-CA 3.48Å; N183-R185 WeakPolarHBondContact OD1-CB 3.39Å; N183-R185 PolarHBondContact OD1-N 3.18Å; N183-N186 WeakPolarHBondContact O-CB 3.45Å; N183-N186 PolarHBondContact O-N 3.13Å; N183-N186 WeakPolarHBondContact OD1-CB 3.41Å; N183-N186 PolarHBondContact OD1-N 2.74Å; N183-R187 PolarHBondContact O-N 3.28Å
184N91.2Very high92.1Very high87 Ų87100.3 Ų100.347%0.46550%0.495SS..Hα-helixtrans-67.5-26.9-175.5-157.4-8.7000113.1R187 R188N184-R187 PolarHBondContact OD1-NE 3.28Å; N184-R187 PolarHBondContact OD1-NH2 2.86Å; N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 2.94Å
185R94.7Very high92.4Very high218 Ų218104.6 Ų104.682%0.82351%0.505SS*.Hα-helixtrans-69.7-41.1174.6-173.2175.8-179.5167.3-0.5110.8N183 Y189N183-R185 VanDerWaalsContact C-N 3.28Å; N183-R185 PolarHBondContact O-N 3.18Å; N183-R185 WeakPolarHBondContact OD1-CA 3.48Å; N183-R185 WeakPolarHBondContact OD1-CB 3.39Å; N183-R185 PolarHBondContact OD1-N 3.18Å; R185-Y189 PolarHBondContact O-N 3.19Å; R185-Y189 VanDerWaalsContact O-N 3.13Å
186N94.2Very high92.8Very high50 Ų50106.3 Ų106.327%0.26750%0.503SS..Hα-helixtrans-65.6-46.1175.3-167.512.2000110.4F181 N183 R188 Y189 N190F181-N186 HydrophobicContact CB-CB 4.2Å; N183-N186 WeakPolarHBondContact O-CB 3.45Å; N183-N186 PolarHBondContact O-N 3.13Å; N183-N186 WeakPolarHBondContact OD1-CB 3.41Å; N183-N186 PolarHBondContact OD1-N 2.74Å; N186-R188 VanDerWaalsContact C-N 3.34Å; N186-R188 PolarHBondContact O-N 3.11Å; N186-Y189 CarbonylContact O-C 3.55Å; N186-Y189 WeakPolarHBondContact O-CA 3.33Å; N186-Y189 WeakPolarHBondContact O-CB 3.45Å; N186-Y189 PolarHBondContact O-N 2.97Å; N186-N190 PolarHBondContact O-N 2.94Å; N186-N190 PolarHBondContact OD1-OD1 3.32Å
187R92.8Very high93.2Very high60 Ų60105.9 Ų105.923%0.22649%0.492CS..Hα-helixtrans-50.9-51.4173.8-173.2-17865142.3-1.4112.6F181 N183 N184 Y189 N190 E191F181-R187 HydrophobicContact CB-CB 3.98Å; F181-R187 HydrophobicContact CD1-CB 3.7Å; F181-R187 HydrophobicContact CD1-CG 3.57Å; F181-R187 HydrophobicContact CD2-CB 3.72Å; F181-R187 HydrophobicContact CD2-CG 4.29Å; F181-R187 HydrophobicContact CE1-CB 4.11Å; F181-R187 HydrophobicContact CE1-CG 3.61Å; F181-R187 HydrophobicContact CE2-CB 4.12Å; F181-R187 HydrophobicContact CE2-CG 4.31Å; F181-R187 HydrophobicContact CG-CB 3.5Å; F181-R187 HydrophobicContact CG-CG 3.94Å; F181-R187 HydrophobicContact CZ-CB 4.31Å; F181-R187 HydrophobicContact CZ-CG 4Å; N183-R187 PolarHBondContact O-N 3.28Å; N184-R187 PolarHBondContact OD1-NE 3.28Å; N184-R187 PolarHBondContact OD1-NH2 2.86Å; R187-Y189 PolarHBondContact O-N 3.48Å; R187-N190 PolarHBondContact O-N 3.17Å; R187-E191 IonicContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 3.37Å; R187-E191 IonicContact NH1-OE1 2.88Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.41Å
188R92.8Very high93.4Very high163 Ų163104.5 Ų104.562%0.61548%0.481SS*.Hα-helixtrans-64.1-29.6178.9-72.4179.7179179.41.9112.9N184 N186 K192N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 2.94Å; N186-R188 VanDerWaalsContact C-N 3.34Å; N186-R188 PolarHBondContact O-N 3.11Å; R188-K192 WeakPolarHBondContact O-CB 3.34Å; R188-K192 PolarHBondContact O-N 2.95Å; R188-K192 VanDerWaalsContact O-N 3.11Å
189Y95.7Very high93.8Very high136 Ų136106.4 Ų106.453%0.53348%0.477SS..Hα-helixtrans-73.3-46.1175.4-174.4-102.6000111R185 N186 R187 E191 K192 L193R185-Y189 PolarHBondContact O-N 3.19Å; R185-Y189 VanDerWaalsContact O-N 3.13Å; N186-Y189 CarbonylContact O-C 3.55Å; N186-Y189 WeakPolarHBondContact O-CA 3.33Å; N186-Y189 WeakPolarHBondContact O-CB 3.45Å; N186-Y189 PolarHBondContact O-N 2.97Å; R187-Y189 PolarHBondContact O-N 3.48Å; Y189-E191 PolarHBondContact O-N 3.3Å; Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.5Å; Y189-K192 VanDerWaalsContact O-CB 3.25Å; Y189-K192 WeakPolarHBondContact O-CB 3.4Å; Y189-K192 PolarHBondContact O-N 3.31Å; Y189-L193 HydrophobicContact CD1-CD1 3.99Å; Y189-L193 HydrophobicContact CD1-CG 4.31Å; Y189-L193 HydrophobicContact CE1-CD1 3.63Å; Y189-L193 HydrophobicContact CE1-CD2 4.28Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 PolarHBondContact O-N 2.89Å
190N93.9Very high94.1Very high27 Ų27109.6 Ų109.614%0.14448%0.483CS..Hα-helixtrans-59.1-46172.8-66.6-8000111.4D180 N186 R187 K192 L193 E194D180-N190 PolarHBondContact O-ND2 3.07Å; D180-N190 PolarHBondContact OD1-ND2 3.31Å; D180-N190 PolarHBondContact OD2-ND2 3.05Å; N186-N190 PolarHBondContact O-N 2.94Å; N186-N190 PolarHBondContact OD1-OD1 3.32Å; R187-N190 PolarHBondContact O-N 3.17Å; N190-K192 PolarHBondContact O-N 3.01Å; N190-L193 WeakPolarHBondContact O-CA 3.48Å; N190-L193 WeakPolarHBondContact O-CB 3.25Å; N190-L193 PolarHBondContact O-N 2.83Å; N190-E194 PolarHBondContact O-N 3.48Å
191E93.2Very high94.3Very high93 Ų93106.8 Ų106.844%0.43547%0.47SS..Hα-helixtrans-59.5-28.2172.2-73.9174.2-17200113R187 Y189 R195R187-E191 IonicContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 3.37Å; R187-E191 IonicContact NH1-OE1 2.88Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.41Å; Y189-E191 PolarHBondContact O-N 3.3Å; E191-R195 WeakPolarHBondContact O-CG 3.37Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 PolarHBondContact O-NE 2.89Å
192K95.7Very high94.2Very high106 Ų106109.7 Ų109.746%0.46148%0.484SS..Hα-helixtrans-73.3-46.2172.1-173.9-175.1175.3-172.10110R188 Y189 N190 R195 F196R188-K192 WeakPolarHBondContact O-CB 3.34Å; R188-K192 PolarHBondContact O-N 2.95Å; R188-K192 VanDerWaalsContact O-N 3.11Å; Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.5Å; Y189-K192 VanDerWaalsContact O-CB 3.25Å; Y189-K192 WeakPolarHBondContact O-CB 3.4Å; Y189-K192 PolarHBondContact O-N 3.31Å; N190-K192 PolarHBondContact O-N 3.01Å; K192-R195 PolarHBondContact O-N 2.79Å; K192-F196 HydrophobicContact CG-CD2 4.17Å; K192-F196 HydrophobicContact CG-CE2 4.04Å; K192-F196 VanDerWaalsContact O-CD2 3.28Å; K192-F196 WeakPolarHBondContact O-CD2 3.28Å; K192-F196 PolarHBondContact O-N 3.47Å
193L95.8Very high94.2Very high60 Ų60107.3 Ų107.331%0.31447%0.473SS..Hα-helixtrans-60-46.3177.4-64.6177.3000111.4Y189 N190 R195 F196 Y197Y189-L193 HydrophobicContact CD1-CD1 3.99Å; Y189-L193 HydrophobicContact CD1-CG 4.31Å; Y189-L193 HydrophobicContact CE1-CD1 3.63Å; Y189-L193 HydrophobicContact CE1-CD2 4.28Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 PolarHBondContact O-N 2.89Å; N190-L193 WeakPolarHBondContact O-CA 3.48Å; N190-L193 WeakPolarHBondContact O-CB 3.25Å; N190-L193 PolarHBondContact O-N 2.83Å; L193-R195 VanDerWaalsContact C-N 3.26Å; L193-R195 PolarHBondContact O-N 3.09Å; L193-F196 PolarHBondContact O-N 3.25Å; L193-F196 VanDerWaalsContact O-N 3.09Å; L193-Y197 HydrophobicContact CB-CD2 4.24Å; L193-Y197 HydrophobicContact CD2-CD2 3.81Å; L193-Y197 HydrophobicContact CD2-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CB 3.49Å; L193-Y197 PolarHBondContact O-N 3.34Å
194E94.4Very high94.2Very high93 Ų93108.1 Ų108.144%0.43548%0.476SS..Hα-helixtrans-59.4-36.9-180-170.470165.600112.1N190 F196 G198 K205N190-E194 PolarHBondContact O-N 3.48Å; E194-F196 VanDerWaalsContact C-N 3.35Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-G198 VanDerWaalsContact O-CA 3.3Å; E194-G198 WeakPolarHBondContact O-CA 3.3Å; E194-G198 PolarHBondContact O-N 3.1Å; E194-K205 IonicContact OE1-NZ 2.8Å; E194-K205 PolarHBondContact OE1-NZ 3.35Å
195R94.9Very high94.2Very high179 Ų179108.5 Ų108.568%0.67547%0.474SS*.Hα-helixtrans-65.3-32.4177.1-78.9-178-70.6155.5-4.1114.3E191 K192 L193E191-R195 WeakPolarHBondContact O-CG 3.37Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 PolarHBondContact O-NE 2.89Å; K192-R195 PolarHBondContact O-N 2.79Å; L193-R195 VanDerWaalsContact C-N 3.26Å; L193-R195 PolarHBondContact O-N 3.09Å
196F96.2Very high94Very high126 Ų126100.8 Ų100.855%0.55345%0.447SS*.Hα-helixtrans-98.4-42.4-176.8-73.5-77.2000112.3K192 L193 E194 Y200K192-F196 HydrophobicContact CG-CD2 4.17Å; K192-F196 HydrophobicContact CG-CE2 4.04Å; K192-F196 VanDerWaalsContact O-CD2 3.28Å; K192-F196 WeakPolarHBondContact O-CD2 3.28Å; K192-F196 PolarHBondContact O-N 3.47Å; L193-F196 PolarHBondContact O-N 3.25Å; L193-F196 VanDerWaalsContact O-N 3.09Å; E194-F196 VanDerWaalsContact C-N 3.35Å; E194-F196 PolarHBondContact O-N 3.41Å; F196-Y200 WeakPolarHBondContact O-CD2 3.39Å
197Y97Very high93.9Very high138 Ų138100.6 Ų100.654%0.54145%0.446SS..Hα-helixtrans-101.9-22.8-172.5-59.7-67.5000113.6L193 K199 Y200 T201L193-Y197 HydrophobicContact CB-CD2 4.24Å; L193-Y197 HydrophobicContact CD2-CD2 3.81Å; L193-Y197 HydrophobicContact CD2-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CB 3.49Å; L193-Y197 PolarHBondContact O-N 3.34Å; Y197-K199 PolarHBondContact O-N 2.99Å; Y197-K199 VanDerWaalsContact O-N 3.1Å; Y197-Y200 CarbonylContact O-C 3.58Å; Y197-Y200 WeakPolarHBondContact O-CA 3.4Å; Y197-Y200 PolarHBondContact O-N 2.88Å; Y197-T201 PolarHBondContact O-N 3.33Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.08Å
198G94.8Very high93.8Very high13 Ų13103.2 Ų103.213%0.13446%0.464CS..THydrogen-bonded Turntrans-54.2-36.9-17500000113.5E194 Y200 T201 E202E194-G198 VanDerWaalsContact O-CA 3.3Å; E194-G198 WeakPolarHBondContact O-CA 3.3Å; E194-G198 PolarHBondContact O-N 3.1Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 3.45Å; G198-T201 PolarHBondContact O-N 3.33Å; G198-E202 PolarHBondContact O-N 3.21Å
199K95.3Very high93.6Very high167 Ų167102.3 Ų102.373%0.72647%0.466SS*.THydrogen-bonded Turntrans-61.3-32.5174.1-177.2179177.6-175.30113.5Y197Y197-K199 PolarHBondContact O-N 2.99Å; Y197-K199 VanDerWaalsContact O-N 3.1Å
200Y96.1Very high93.3Very high180 Ų180102.9 Ų102.971%0.70647%0.468SS*.THydrogen-bonded Turntrans-96.1-20.4-176.1-57.9-77.9000112.7F196 Y197 G198F196-Y200 WeakPolarHBondContact O-CD2 3.39Å; Y197-Y200 CarbonylContact O-C 3.58Å; Y197-Y200 WeakPolarHBondContact O-CA 3.4Å; Y197-Y200 PolarHBondContact O-N 2.88Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 3.45Å
201T93.8Very high93Very high49 Ų49104.2 Ų104.230%0.30149%0.488SS..SBendtrans-106.511.9-177.459.70000112.9Y197 G198 D203 I204 K205Y197-T201 PolarHBondContact O-N 3.33Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.08Å; G198-T201 PolarHBondContact O-N 3.33Å; T201-D203 PolarHBondContact O-N 3.46Å; T201-I204 HydrophobicContact CG2-CD1 4.49Å; T201-I204 PolarHBondContact O-N 3.11Å; T201-K205 PolarHBondContact O-N 3.43Å
202E92Very high92.5Very high109 Ų109104.9 Ų104.951%0.50950%0.498SS..Hα-helixtrans-58.6-45.9-178.6-169.4175.5171.200111.5G198 I204 K205 Q206G198-E202 PolarHBondContact O-N 3.21Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.23Å; E202-K205 WeakPolarHBondContact O-CB 3.43Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.16Å; E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.08Å
203D91.6Very high91.2Very high114 Ų114102.6 Ų102.661%0.6150%0.499SS*.Hα-helixtrans-61.3-41.1177.8-63.9-18.2000112T201 K205 Q206 N207T201-D203 PolarHBondContact O-N 3.46Å; D203-K205 VanDerWaalsContact C-N 3.33Å; D203-K205 PolarHBondContact O-N 3.16Å; D203-Q206 PolarHBondContact O-N 3.23Å; D203-N207 WeakPolarHBondContact O-CB 3.43Å; D203-N207 PolarHBondContact O-N 3.45Å; D203-N207 PolarHBondContact O-ND2 2.98Å; D203-N207 PolarHBondContact O-OD1 3.4Å
204I91.9Very high89.7Confident103 Ų103109.7 Ų109.753%0.52854%0.535SS..Hα-helixtrans-64.1-41.8177.5-60.5175000110.2T201 E202 N207 L208T201-I204 HydrophobicContact CG2-CD1 4.49Å; T201-I204 PolarHBondContact O-N 3.11Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.23Å; I204-N207 PolarHBondContact O-N 3.02Å; I204-L208 HydrophobicContact CG2-CD1 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.79Å
205K91.4Very high89.5Confident94 Ų94110.5 Ų110.541%0.40954%0.54SS..Hα-helixtrans-64.1-45.5177.8-170178-175.41780111.3E194 T201 E202 D203 N207 L208 E209E194-K205 IonicContact OE1-NZ 2.8Å; E194-K205 PolarHBondContact OE1-NZ 3.35Å; T201-K205 PolarHBondContact O-N 3.43Å; E202-K205 WeakPolarHBondContact O-CB 3.43Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 VanDerWaalsContact C-N 3.33Å; D203-K205 PolarHBondContact O-N 3.16Å; K205-N207 VanDerWaalsContact C-N 3.33Å; K205-N207 PolarHBondContact O-N 2.98Å; K205-L208 PolarHBondContact O-N 2.94Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 3.39Å
206Q91.2Very high89.2Confident57 Ų57106.9 Ų106.927%0.26653%0.533SS..Hα-helixtrans-60.8-40.7174.9-69.6-179.321.400112E202 D203 E209 R210E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.08Å; D203-Q206 PolarHBondContact O-N 3.23Å; Q206-E209 PolarHBondContact O-N 2.91Å; Q206-R210 WeakPolarHBondContact O-CB 3.41Å; Q206-R210 VanDerWaalsContact O-CG 3.27Å; Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.4Å
207N91.5Very high88.8Confident45 Ų45105.8 Ų105.824%0.24153%0.532CS..Hα-helixtrans-63.9-41.1176.7-69.3-11.1000111.7D203 I204 K205 R210 G211 T212D203-N207 WeakPolarHBondContact O-CB 3.43Å; D203-N207 PolarHBondContact O-N 3.45Å; D203-N207 PolarHBondContact O-ND2 2.98Å; D203-N207 PolarHBondContact O-OD1 3.4Å; I204-N207 PolarHBondContact O-N 3.02Å; K205-N207 VanDerWaalsContact C-N 3.33Å; K205-N207 PolarHBondContact O-N 2.98Å; N207-R210 PolarHBondContact O-N 2.94Å; N207-G211 PolarHBondContact O-N 3.44Å; N207-T212 VanDerWaalsContact O-CA 3.26Å; N207-T212 WeakPolarHBondContact O-CA 3.26Å; N207-T212 PolarHBondContact O-N 3.3Å
208L90.6Very high88.3Confident115 Ų115103.9 Ų103.960%0.60253%0.532SS*.Hα-helixtrans-62.9-43.2174.5-71.6168.2000111.9I204 K205 R210 G211 T212I204-L208 HydrophobicContact CG2-CD1 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.79Å; K205-L208 PolarHBondContact O-N 2.94Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.94Å; L208-G211 PolarHBondContact O-N 3.39Å; L208-G211 VanDerWaalsContact O-N 3.11Å; L208-T212 HydrophobicContact CD2-CG2 4.04Å
209E88Confident87.9Confident144 Ų144109.6 Ų109.667%0.67356%0.556SS**Hα-helixtrans-65.6-29.2176.7-70.5172-172.800112.6K205 Q206 G211K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 3.39Å; Q206-E209 PolarHBondContact O-N 2.91Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.19Å
210R89.5Confident87.4Confident148 Ų148105.8 Ų105.856%0.55855%0.545SS*.THydrogen-bonded Turntrans-82.95.7173.4-68.5174.8-167.1146.411114.1Q206 N207 L208Q206-R210 WeakPolarHBondContact O-CB 3.41Å; Q206-R210 VanDerWaalsContact O-CG 3.27Å; Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.4Å; N207-R210 PolarHBondContact O-N 2.94Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.94Å
211G87.3Confident86.8Confident55 Ų55100.5 Ų100.557%0.56753%0.534SS*.THydrogen-bonded Turntrans77.937.3-179.500000113.5N207 L208 E209 A213N207-G211 PolarHBondContact O-N 3.44Å; L208-G211 PolarHBondContact O-N 3.39Å; L208-G211 VanDerWaalsContact O-N 3.11Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.19Å; G211-A213 PolarHBondContact O-N 2.76Å
212T83.1Confident86.2Confident107 Ų107104.5 Ų104.566%0.65655%0.552SS**SBendtrans6412.717862.50000116N207 L208N207-T212 VanDerWaalsContact O-CA 3.26Å; N207-T212 WeakPolarHBondContact O-CA 3.26Å; N207-T212 PolarHBondContact O-N 3.3Å; L208-T212 HydrophobicContact CD2-CG2 4.04Å
213A68.3Low85.8Confident58 Ų58104.1 Ų104.148%0.47956%0.555SS.*  trans-73.2126.5170.100000109.9G211G211-A213 PolarHBondContact O-N 2.76Å
214I64.9Low85.2Confident209 Ų209103.2 Ų103.2100%1.07255%0.55SS**  trans-81.10170.8-62.4171.7000108.9

Retrieved 214 of 214 residues in 232.5 ms (Link to these results)