A0A093HJV3_STRCA Loading...

Signal recognition particle 54 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). As part of the SRP complex, associates with the SRP receptor (SR) component SRPRA to target secretory proteins to the endoplasmic reticulum membrane. Binds to the signal sequence of presecretory proteins when they emerge from the ribosomes. Displays basal GTPase activity, and stimulates reciprocal GTPase activation of the SR subunit SRPRA. Forms a guanosine 5'-triphosphate (GTP)-dependent complex with the SR subunit SRPRA. SR compaction and GTPase mediated rearrangement of SR drive SRP-mediated cotranslational protein translocation into the ER. Requires the presence of SRP9/SRP14 and/or SRP19 to stably interact with RNA. Plays a role in proliferation and differentiation of granulocytic cells, neutrophils migration capacity and exocrine pancreas development.

AlphaFold DB (U3IRN0), UniProt , Accession A0A093HJV3, Species STRCA (Struthio camelus australis), Gene n/a, Length 504 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
1M48.1Very low69.8Low109 Ų10949.5 Ų49.554%0.53725%0.247SC..  0130.40-64.9178.883.500108.9L3 A4 D5 L250M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.5Å; M1-A4 HydrophobicContact CB-CB 4.4Å; M1-A4 WeakPolarHBondContact O-CA 3.3Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-D5 PolarHBondContact O-N 2.89Å; M1-L250 WeakPolarHBondContact CE-O 3.37Å
2V51.2Low70.9Confident20 Ų2050.7 Ų50.712%0.12126%0.264CS..Hα-helixtrans-75.5-21.7-173.7171.80000113.6A4 D5 L6 H253 A254 K255V2-A4 PolarHBondContact O-N 3.37Å; V2-D5 WeakPolarHBondContact O-CA 3.5Å; V2-D5 WeakPolarHBondContact O-CB 3.16Å; V2-D5 PolarHBondContact O-N 2.92Å; V2-L6 PolarHBondContact O-N 2.89Å; V2-H253 VanDerWaalsContact CG2-C 3.49Å; V2-H253 VanDerWaalsContact CG2-CA 3.45Å; V2-H253 HydrophobicContact CG2-CB 3.89Å; V2-H253 VanDerWaalsContact CG2-O 3.25Å; V2-H253 WeakPolarHBondContact CG2-O 3.23Å; V2-A254 WeakPolarHBondContact CB-O 3.5Å; V2-K255 HydrophobicContact CG1-CB 4.04Å; V2-K255 HydrophobicContact CG1-CG 3.42Å; V2-K255 VanDerWaalsContact CG1-CG 3.42Å
3L61.1Low71.9Confident25 Ų2546.8 Ų46.813%0.13124%0.243CC..Hα-helixtrans-58.9-33.5162.5-74.1173.1000112.2M1 D5 G7 L250 F290 L294M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.5Å; L3-D5 VanDerWaalsContact C-N 3.28Å; L3-D5 PolarHBondContact O-N 3.46Å; L3-G7 PolarHBondContact O-N 2.76Å; L3-L250 HydrophobicContact CD1-CD2 3.8Å; L3-F290 HydrophobicContact CD1-CE2 3.58Å; L3-F290 HydrophobicContact CD1-CZ 3.72Å; L3-F290 HydrophobicContact CD2-CZ 3.82Å; L3-F290 HydrophobicContact CG-CZ 4.46Å; L3-L294 HydrophobicContact CB-CD1 4.39Å; L3-L294 HydrophobicContact CD2-CD1 4.07Å; L3-L294 WeakPolarHBondContact O-CD1 3.42Å
4A64.8Low72.4Confident46 Ų4644.8 Ų44.838%0.3823%0.233SC..Hα-helixtrans-69.2-29.2172.900000111.5M1 V2 R8M1-A4 HydrophobicContact CB-CB 4.4Å; M1-A4 WeakPolarHBondContact O-CA 3.3Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.48Å; V2-A4 PolarHBondContact O-N 3.37Å; A4-R8 VanDerWaalsContact O-CB 3.31Å; A4-R8 WeakPolarHBondContact O-CB 3.36Å; A4-R8 WeakPolarHBondContact O-CG 3.37Å; A4-R8 PolarHBondContact O-N 3.47Å
5D71.6Confident72.8Confident59 Ų5950.6 Ų50.632%0.31625%0.251SS..Hα-helixtrans-75.4-46.9178.4-64.9-5.5000111.7M1 V2 L3 G7 R8 K9M1-D5 PolarHBondContact O-N 2.89Å; V2-D5 WeakPolarHBondContact O-CA 3.5Å; V2-D5 WeakPolarHBondContact O-CB 3.16Å; V2-D5 PolarHBondContact O-N 2.92Å; L3-D5 VanDerWaalsContact C-N 3.28Å; L3-D5 PolarHBondContact O-N 3.46Å; D5-G7 PolarHBondContact O-N 3.21Å; D5-R8 PolarHBondContact O-N 3.36Å; D5-R8 IonicContact OD1-CZ 3.39Å; D5-R8 IonicContact OD1-NE 2.7Å; D5-R8 PolarHBondContact OD1-NE 3.43Å; D5-R8 IonicContact OD1-NH2 3.33Å; D5-R8 PolarHBondContact OD1-NH2 3.31Å; D5-R8 IonicContact OD2-NH2 2.55Å; D5-K9 PolarHBondContact O-N 2.91Å
6L75.3Confident73.1Confident13 Ų1350.8 Ų50.87%0.06826%0.258CS..Hα-helixtrans-55.5-46.9169.8175.258.9000110.1V2 R8 K9 I10 A38 L39 A42 L294V2-L6 PolarHBondContact O-N 2.89Å; L6-R8 PolarHBondContact O-N 3.19Å; L6-K9 PolarHBondContact O-N 2.88Å; L6-I10 HydrophobicContact CD1-CD1 3.72Å; L6-I10 HydrophobicContact CD1-CG1 4.08Å; L6-I10 HydrophobicContact CG-CD1 3.9Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 2.89Å; L6-A38 HydrophobicContact CD1-CB 3.89Å; L6-A38 WeakPolarHBondContact CD1-O 3.22Å; L6-L39 HydrophobicContact CD1-CD2 4.31Å; L6-L39 HydrophobicContact CD2-CD2 4.42Å; L6-A42 HydrophobicContact CD1-CB 3.89Å; L6-A42 HydrophobicContact CD2-CB 3.75Å; L6-A42 HydrophobicContact CG-CB 4.26Å; L6-L294 HydrophobicContact CB-CD1 4.14Å; L6-L294 HydrophobicContact CD2-CD1 3.93Å; L6-L294 HydrophobicContact CD2-CD2 4.18Å; L6-L294 HydrophobicContact CG-CD1 3.96Å
7G75.1Confident73.2Confident4 Ų448 Ų484%0.04124%0.244CC..Hα-helixtrans-58.9-44.7176.700000113.5L3 D5 I10 T11 L294L3-G7 PolarHBondContact O-N 2.76Å; D5-G7 PolarHBondContact O-N 3.21Å; G7-I10 PolarHBondContact O-N 3.43Å; G7-T11 WeakPolarHBondContact O-CB 3.47Å; G7-T11 PolarHBondContact O-N 2.96Å; G7-T11 PolarHBondContact O-OG1 2.74Å; G7-L294 CarbonylContact C-O 3.46Å; G7-L294 WeakPolarHBondContact CA-O 3.45Å
8R77.8Confident73.1Confident151 Ų15148.4 Ų48.457%0.5725%0.253SS*.Hα-helixtrans-61-43.8174.7-80.6-173.1-60.4159.2-1112.2A4 D5 L6 T11 S12A4-R8 VanDerWaalsContact O-CB 3.31Å; A4-R8 WeakPolarHBondContact O-CB 3.36Å; A4-R8 WeakPolarHBondContact O-CG 3.37Å; A4-R8 PolarHBondContact O-N 3.47Å; D5-R8 PolarHBondContact O-N 3.36Å; D5-R8 IonicContact OD1-CZ 3.39Å; D5-R8 IonicContact OD1-NE 2.7Å; D5-R8 PolarHBondContact OD1-NE 3.43Å; D5-R8 IonicContact OD1-NH2 3.33Å; D5-R8 PolarHBondContact OD1-NH2 3.31Å; D5-R8 IonicContact OD2-NH2 2.55Å; L6-R8 PolarHBondContact O-N 3.19Å; R8-T11 PolarHBondContact O-N 2.76Å; R8-S12 VanDerWaalsContact O-CB 3.25Å; R8-S12 WeakPolarHBondContact O-CB 3.28Å; R8-S12 PolarHBondContact O-N 2.86Å
9K83.1Confident73.2Confident92 Ų9252.9 Ų52.940%0.428%0.277SS..Hα-helixtrans-64.5-46.8178.1-71.1-171.5-177.7-169.20111.7D5 L6 T11 S12 A13 A38 E41D5-K9 PolarHBondContact O-N 2.91Å; L6-K9 PolarHBondContact O-N 2.88Å; K9-T11 PolarHBondContact O-N 3.31Å; K9-S12 WeakPolarHBondContact O-CB 3.4Å; K9-S12 PolarHBondContact O-N 3.46Å; K9-A13 PolarHBondContact O-N 3.34Å; K9-A38 HydrophobicContact CB-CB 3.79Å; K9-A38 HydrophobicContact CD-CB 4.22Å; K9-E41 WeakPolarHBondContact CD-OE2 3.45Å; K9-E41 VanDerWaalsContact NZ-CD 3.28Å; K9-E41 IonicContact NZ-OE1 3Å; K9-E41 PolarHBondContact NZ-OE1 3.42Å; K9-E41 IonicContact NZ-OE2 3.28Å; K9-E41 PolarHBondContact NZ-OE2 3.34Å
10I80.1Confident73.2Confident0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-64.9-42.1176.8-61.5172.6000110.6L6 G7 S12 A13 L14 V35 A38 L39 L295L6-I10 HydrophobicContact CD1-CD1 3.72Å; L6-I10 HydrophobicContact CD1-CG1 4.08Å; L6-I10 HydrophobicContact CG-CD1 3.9Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 2.89Å; G7-I10 PolarHBondContact O-N 3.43Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 2.91Å; I10-A13 WeakPolarHBondContact O-CB 2.96Å; I10-A13 PolarHBondContact O-N 3.33Å; I10-L14 HydrophobicContact CG2-CD1 3.99Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CB 3.36Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.46Å; I10-L14 PolarHBondContact O-N 3.33Å; I10-V35 HydrophobicContact CG1-CG1 4.4Å; I10-V35 HydrophobicContact CG2-CG2 4.21Å; I10-A38 HydrophobicContact CG1-CB 4.31Å; I10-L39 HydrophobicContact CD1-CD2 4.27Å; I10-L295 HydrophobicContact CB-CD2 4.15Å; I10-L295 HydrophobicContact CG2-CD2 3.35Å
11T79.4Confident73.2Confident25 Ų2555.3 Ų55.315%0.15330%0.298CS..Hα-helixtrans-63.3-39.2176.6-56.70000111.3G7 R8 K9 L14 R15 L295G7-T11 WeakPolarHBondContact O-CB 3.47Å; G7-T11 PolarHBondContact O-N 2.96Å; G7-T11 PolarHBondContact O-OG1 2.74Å; R8-T11 PolarHBondContact O-N 2.76Å; K9-T11 PolarHBondContact O-N 3.31Å; T11-L14 PolarHBondContact O-N 3.48Å; T11-R15 HydrophobicContact CG2-CG 4.45Å; T11-R15 WeakPolarHBondContact O-CB 3.33Å; T11-R15 VanDerWaalsContact O-CG 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.4Å; T11-R15 PolarHBondContact O-N 3.4Å; T11-L295 PolarHBondContact OG1-O 3.36Å; T11-L295 VanDerWaalsContact OG1-O 3.05Å
12S83.5Confident74.6Confident64 Ų6456.6 Ų56.645%0.44831%0.306SS..Hα-helixtrans-62.6-47.1174.1-176.80000111.2R8 K9 I10 L14 R15 S16R8-S12 VanDerWaalsContact O-CB 3.25Å; R8-S12 WeakPolarHBondContact O-CB 3.28Å; R8-S12 PolarHBondContact O-N 2.86Å; K9-S12 WeakPolarHBondContact O-CB 3.4Å; K9-S12 PolarHBondContact O-N 3.46Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 2.91Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.39Å; S12-R15 PolarHBondContact O-N 3.46Å; S12-R15 VanDerWaalsContact O-N 3.14Å; S12-S16 PolarHBondContact O-N 3.34Å
13A83.7Confident75.8Confident0 Ų056.9 Ų56.90%031%0.306CS..Hα-helixtrans-58.4-44.2175.400000111.4K9 I10 S16 M31 E34 V35K9-A13 PolarHBondContact O-N 3.34Å; I10-A13 WeakPolarHBondContact O-CB 2.96Å; I10-A13 PolarHBondContact O-N 3.33Å; A13-S16 WeakPolarHBondContact O-CB 3.35Å; A13-S16 PolarHBondContact O-N 3.01Å; A13-S16 PolarHBondContact O-OG 2.9Å; A13-M31 HydrophobicContact CB-CG 4.3Å; A13-M31 WeakPolarHBondContact O-CG 3.46Å; A13-E34 HydrophobicContact CB-CB 3.98Å; A13-E34 HydrophobicContact CB-CG 3.86Å; A13-V35 HydrophobicContact CB-CG2 3.82Å
14L78.8Confident76.8Confident19 Ų1958.7 Ų58.710%0.09932%0.316CS..Hα-helixtrans-67.5-35.5176-69171000112.7I10 T11 S12 L17 S18 M31 Q76 L295I10-L14 HydrophobicContact CG2-CD1 3.99Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CB 3.36Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.46Å; I10-L14 PolarHBondContact O-N 3.33Å; T11-L14 PolarHBondContact O-N 3.48Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.39Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 2.9Å; L14-S18 PolarHBondContact O-N 2.94Å; L14-M31 HydrophobicContact CD2-SD 4.23Å; L14-Q76 HydrophobicContact CD1-CG 4.15Å; L14-Q76 HydrophobicContact CD2-CB 4.37Å; L14-Q76 HydrophobicContact CD2-CG 4.36Å; L14-L295 HydrophobicContact CD1-CD1 4.45Å; L14-L295 HydrophobicContact CD1-CD2 4.23Å
15R78.6Confident77.7Confident132 Ų13261 Ų6150%0.49832%0.319SS..Hα-helixtrans-67.5-34.7173.9-79179.9-174.7-175.83.9111.9T11 S12 L17 S18 N19T11-R15 HydrophobicContact CG2-CG 4.45Å; T11-R15 WeakPolarHBondContact O-CB 3.33Å; T11-R15 VanDerWaalsContact O-CG 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.4Å; T11-R15 PolarHBondContact O-N 3.4Å; S12-R15 PolarHBondContact O-N 3.46Å; S12-R15 VanDerWaalsContact O-N 3.14Å; R15-L17 PolarHBondContact O-N 3.09Å; R15-S18 WeakPolarHBondContact CA-OG 3.42Å; R15-S18 WeakPolarHBondContact O-CA 3.33Å; R15-S18 WeakPolarHBondContact O-CB 3.46Å; R15-S18 PolarHBondContact O-N 3.47Å; R15-S18 PolarHBondContact O-OG 3.21Å; R15-N19 PolarHBondContact O-N 3.46Å; R15-N19 VanDerWaalsContact O-N 3.13Å
16S77.1Confident78.3Confident53 Ų5365.4 Ų65.437%0.37134%0.338SS..Hα-helixtrans-57.6-38.5175.181.30000111.4S12 A13 S18 N19 A20S12-S16 PolarHBondContact O-N 3.34Å; A13-S16 WeakPolarHBondContact O-CB 3.35Å; A13-S16 PolarHBondContact O-N 3.01Å; A13-S16 PolarHBondContact O-OG 2.9Å; S16-S18 VanDerWaalsContact C-N 3.3Å; S16-S18 PolarHBondContact O-N 3.05Å; S16-N19 PolarHBondContact O-N 2.81Å; S16-A20 PolarHBondContact O-N 2.95Å
17L75.8Confident78.8Confident4 Ų466.7 Ų66.72%0.02135%0.346CS..Hα-helixtrans-69.8-28.2175.8-159.8143.1000112.3L14 R15 I23 V27 M31 R72 I75L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 2.9Å; R15-L17 PolarHBondContact O-N 3.09Å; L17-I23 HydrophobicContact CD2-CD1 3.99Å; L17-I23 HydrophobicContact CD2-CG1 4.46Å; L17-V27 HydrophobicContact CG-CG1 4.45Å; L17-M31 HydrophobicContact CD1-CB 4.15Å; L17-M31 HydrophobicContact CD1-CE 3.91Å; L17-M31 HydrophobicContact CD1-CG 4.02Å; L17-R72 HydrophobicContact CD2-CB 4.05Å; L17-R72 HydrophobicContact CD2-CG 3.97Å; L17-I75 HydrophobicContact CD1-CD1 4.11Å; L17-I75 HydrophobicContact CD1-CG2 3.91Å; L17-I75 HydrophobicContact CD2-CD1 4.05Å
18S69.8Low79.3Confident56 Ų5666.7 Ų66.739%0.39235%0.345SS..Hα-helixtrans-70.5-30.517377.60000113.6L14 R15 S16 R72L14-S18 PolarHBondContact O-N 2.94Å; R15-S18 WeakPolarHBondContact CA-OG 3.42Å; R15-S18 WeakPolarHBondContact O-CA 3.33Å; R15-S18 WeakPolarHBondContact O-CB 3.46Å; R15-S18 PolarHBondContact O-N 3.47Å; R15-S18 PolarHBondContact O-OG 3.21Å; S16-S18 VanDerWaalsContact C-N 3.3Å; S16-S18 PolarHBondContact O-N 3.05Å; S18-R72 PolarHBondContact O-NE 2.97Å
19N75.1Confident79.8Confident133 Ų13361.2 Ų61.271%0.71133%0.327SS*.Hα-helixtrans-84-19.2-179.8-66.5-18.3000113.3R15 S16R15-N19 PolarHBondContact O-N 3.46Å; R15-N19 VanDerWaalsContact O-N 3.13Å; S16-N19 PolarHBondContact O-N 2.81Å
20A74.4Confident80Confident21 Ų2159.8 Ų59.817%0.17433%0.332CS..  trans-69.2130.4177.800000111.6S16 V27 R72S16-A20 PolarHBondContact O-N 2.95Å; A20-V27 HydrophobicContact CB-CG1 4.11Å; A20-R72 PolarHBondContact O-NH2 3.4Å
21T72.2Confident80.5Confident135 Ų13559.9 Ų59.983%0.82833%0.333SS*.SBendtrans-73.3-37.5-179.4-37.20000112.1
22I77.3Confident81Confident136 Ų13658.7 Ų58.770%0.69733%0.326SS*.SBendtrans-125.6131.2176.9-59.3173.2000107.6
23I77.8Confident81.4Confident27 Ų2762.2 Ų62.214%0.13833%0.333CS..  trans-99.3102.7177.8-60.6164.8000107.1L17 K71 R72 I75L17-I23 HydrophobicContact CD2-CD1 3.99Å; L17-I23 HydrophobicContact CD2-CG1 4.46Å; I23-K71 HydrophobicContact CD1-CB 3.96Å; I23-R72 HydrophobicContact CD1-CB 4.44Å; I23-R72 HydrophobicContact CD1-CG 3.43Å; I23-R72 VanDerWaalsContact CD1-CG 3.43Å; I23-I75 HydrophobicContact CG2-CD1 3.69Å
24N80.9Confident81.7Confident62 Ų6266 Ų6633%0.33235%0.35SS..  trans-107.2175.4173.968.52000110.4E26 V27 L28N24-E26 PolarHBondContact ND2-OE2 3.23Å; N24-E26 PolarHBondContact O-N 3.02Å; N24-E26 PolarHBondContact OD1-N 3.27Å; N24-V27 PolarHBondContact O-N 3.22Å; N24-V27 WeakPolarHBondContact OD1-CB 3.27Å; N24-V27 VanDerWaalsContact OD1-CG2 3.22Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.48Å; N24-V27 PolarHBondContact OD1-N 3.48Å; N24-L28 PolarHBondContact O-N 3.03Å
25E83.6Confident82.2Confident95 Ų9565 Ų6544%0.44435%0.346SS..Hα-helixtrans-63.2-30.4-179.4-152.6-165.7150.500112.6L28 N29 K57 L62E25-L28 PolarHBondContact O-N 3.48Å; E25-N29 WeakPolarHBondContact O-CB 3.34Å; E25-N29 PolarHBondContact O-N 3.49Å; E25-N29 PolarHBondContact O-ND2 2.89Å; E25-N29 PolarHBondContact OE1-ND2 2.91Å; E25-K57 VanDerWaalsContact OE1-CE 3.23Å; E25-K57 WeakPolarHBondContact OE1-CE 3.45Å; E25-K57 IonicContact OE1-NZ 2.74Å; E25-K57 PolarHBondContact OE1-NZ 3.21Å; E25-L62 HydrophobicContact CB-CD1 4.12Å; E25-L62 HydrophobicContact CG-CD1 4.29Å
26E85.3Confident82.7Confident151 Ų15159.3 Ų59.371%0.70633%0.326SS*.Hα-helixtrans-65.5-46.8178-62178159.700111.7N24 L28 N29 A30N24-E26 PolarHBondContact ND2-OE2 3.23Å; N24-E26 PolarHBondContact O-N 3.02Å; N24-E26 PolarHBondContact OD1-N 3.27Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.27Å; E26-N29 PolarHBondContact O-N 2.83Å; E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 3.22Å
27V85.3Confident83.4Confident40 Ų4060 Ų6024%0.24233%0.327CS..Hα-helixtrans-62.4-41176.3172.20000110.7L17 A20 N24 A30 M31L17-V27 HydrophobicContact CG-CG1 4.45Å; A20-V27 HydrophobicContact CB-CG1 4.11Å; N24-V27 PolarHBondContact O-N 3.22Å; N24-V27 WeakPolarHBondContact OD1-CB 3.27Å; N24-V27 VanDerWaalsContact OD1-CG2 3.22Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.48Å; N24-V27 PolarHBondContact OD1-N 3.48Å; V27-A30 PolarHBondContact O-N 2.77Å; V27-M31 WeakPolarHBondContact O-CB 3.22Å; V27-M31 PolarHBondContact O-N 3.05Å
28L85.1Confident83.9Confident4 Ų460 Ų602%0.02133%0.328CS..Hα-helixtrans-62.5-48175.6178.663.1000111.6N24 E25 E26 A30 M31 L32 I60 L62 I75N24-L28 PolarHBondContact O-N 3.03Å; E25-L28 PolarHBondContact O-N 3.48Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.27Å; L28-A30 PolarHBondContact O-N 3.21Å; L28-M31 HydrophobicContact CD1-CE 3.89Å; L28-M31 PolarHBondContact O-N 2.88Å; L28-L32 HydrophobicContact CD1-CD1 4.21Å; L28-L32 HydrophobicContact CD1-CG 4.31Å; L28-L32 HydrophobicContact CG-CD1 4.1Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.3Å; L28-I60 HydrophobicContact CD1-CD1 3.97Å; L28-I60 HydrophobicContact CD2-CD1 4.35Å; L28-I60 HydrophobicContact CD2-CG2 4.11Å; L28-L62 HydrophobicContact CD2-CD1 4.48Å; L28-I75 HydrophobicContact CD1-CD1 4.32Å; L28-I75 HydrophobicContact CD1-CG2 3.83Å
29N88.2Confident84.7Confident37 Ų3757.4 Ų57.420%0.19831%0.31CS..Hα-helixtrans-65-37.8179.5-79-53.7000112.2E25 E26 K33E25-N29 WeakPolarHBondContact O-CB 3.34Å; E25-N29 PolarHBondContact O-N 3.49Å; E25-N29 PolarHBondContact O-ND2 2.89Å; E25-N29 PolarHBondContact OE1-ND2 2.91Å; E26-N29 PolarHBondContact O-N 2.83Å; N29-K33 WeakPolarHBondContact O-CB 3.36Å; N29-K33 PolarHBondContact O-N 2.92Å
30A89Confident85.3Confident61 Ų6154.3 Ų54.350%0.50429%0.293SS..Hα-helixtrans-63.8-48175.500000111.5E26 V27 L28 K33 E34E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 3.22Å; V27-A30 PolarHBondContact O-N 2.77Å; L28-A30 PolarHBondContact O-N 3.21Å; A30-K33 WeakPolarHBondContact O-CB 3.28Å; A30-K33 PolarHBondContact O-N 3.34Å; A30-E34 PolarHBondContact O-N 3.47Å
31M89.3Confident85.8Confident2 Ų257.5 Ų57.51%0.0130%0.304CS..Hα-helixtrans-60.6-47.5176.1-178.6-78-64.600111.4A13 L14 L17 V27 L28 K33 E34 V35 I75 V79A13-M31 HydrophobicContact CB-CG 4.3Å; A13-M31 WeakPolarHBondContact O-CG 3.46Å; L14-M31 HydrophobicContact CD2-SD 4.23Å; L17-M31 HydrophobicContact CD1-CB 4.15Å; L17-M31 HydrophobicContact CD1-CE 3.91Å; L17-M31 HydrophobicContact CD1-CG 4.02Å; V27-M31 WeakPolarHBondContact O-CB 3.22Å; V27-M31 PolarHBondContact O-N 3.05Å; L28-M31 HydrophobicContact CD1-CE 3.89Å; L28-M31 PolarHBondContact O-N 2.88Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.46Å; M31-E34 PolarHBondContact O-N 2.71Å; M31-E34 VanDerWaalsContact O-N 3.12Å; M31-V35 WeakPolarHBondContact O-CG2 3.47Å; M31-V35 PolarHBondContact O-N 3.44Å; M31-V35 HydrophobicContact SD-CG2 3.63Å; M31-I75 HydrophobicContact CE-CG2 3.6Å; M31-V79 HydrophobicContact CE-CG2 4.22Å
32L90.1Very high86.2Confident1 Ų151.2 Ų51.21%0.00527%0.266CS..Hα-helixtrans-60.4-37.6177.2-75.6174.9000112L28 V35 C36 V56 V79L28-L32 HydrophobicContact CD1-CD1 4.21Å; L28-L32 HydrophobicContact CD1-CG 4.31Å; L28-L32 HydrophobicContact CG-CD1 4.1Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.3Å; L32-V35 PolarHBondContact O-N 3.32Å; L32-C36 VanDerWaalsContact O-CB 3.3Å; L32-C36 WeakPolarHBondContact O-CB 3.36Å; L32-C36 PolarHBondContact O-N 2.99Å; L32-C36 PolarHBondContact O-SG 3.35Å; L32-V56 HydrophobicContact CD1-CG1 4.45Å; L32-V56 HydrophobicContact CD2-CB 4.15Å; L32-V56 HydrophobicContact CD2-CG1 3.74Å; L32-V79 HydrophobicContact CD2-CG2 4.5Å
33K91.8Very high86.3Confident138 Ų13847.3 Ų47.360%0.625%0.247SC*.Hα-helixtrans-64.6-41176-171178.3-179-177.40111.5N29 A30 M31 C36 T37N29-K33 WeakPolarHBondContact O-CB 3.36Å; N29-K33 PolarHBondContact O-N 2.92Å; A30-K33 WeakPolarHBondContact O-CB 3.28Å; A30-K33 PolarHBondContact O-N 3.34Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.46Å; K33-C36 PolarHBondContact O-N 3.49Å; K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 PolarHBondContact O-N 3.49Å; K33-T37 PolarHBondContact O-OG1 3.27Å
34E90.4Very high86.5Confident78 Ų7846.1 Ų46.136%0.36424%0.24SC..Hα-helixtrans-65-45.6176.4-167.6179.1171.600111.4A13 A30 M31 C36 T37 A38A13-E34 HydrophobicContact CB-CB 3.98Å; A13-E34 HydrophobicContact CB-CG 3.86Å; A30-E34 PolarHBondContact O-N 3.47Å; M31-E34 PolarHBondContact O-N 2.71Å; M31-E34 VanDerWaalsContact O-N 3.12Å; E34-C36 PolarHBondContact O-N 3.4Å; E34-T37 PolarHBondContact O-N 3.1Å; E34-A38 PolarHBondContact O-N 3.46Å
35V88.6Confident86.7Confident0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-60.5-46174.6174.10000111.3I10 A13 M31 L32 T37 A38 L39I10-V35 HydrophobicContact CG1-CG1 4.4Å; I10-V35 HydrophobicContact CG2-CG2 4.21Å; A13-V35 HydrophobicContact CB-CG2 3.82Å; M31-V35 WeakPolarHBondContact O-CG2 3.47Å; M31-V35 PolarHBondContact O-N 3.44Å; M31-V35 HydrophobicContact SD-CG2 3.63Å; L32-V35 PolarHBondContact O-N 3.32Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3Å; V35-A38 PolarHBondContact O-N 3.48Å; V35-L39 HydrophobicContact CG1-CD1 4.11Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.41Å
36C90.4Very high86.8Confident12 Ų1244.1 Ų44.18%0.08123%0.232CC..Hα-helixtrans-61.5-41.2176.7-69.80000111.8L32 K33 E34 A38 L39 L40 V49L32-C36 VanDerWaalsContact O-CB 3.3Å; L32-C36 WeakPolarHBondContact O-CB 3.36Å; L32-C36 PolarHBondContact O-N 2.99Å; L32-C36 PolarHBondContact O-SG 3.35Å; K33-C36 PolarHBondContact O-N 3.49Å; E34-C36 PolarHBondContact O-N 3.4Å; C36-A38 VanDerWaalsContact C-N 3.35Å; C36-L39 PolarHBondContact O-N 2.98Å; C36-L40 VanDerWaalsContact O-CG 3.29Å; C36-L40 WeakPolarHBondContact O-CG 3.4Å; C36-L40 PolarHBondContact O-N 3.43Å; C36-V49 HydrophobicContact CB-CG1 3.54Å
37T90.6Very high86.9Confident66 Ų6643.9 Ų43.941%0.40523%0.228SC..Hα-helixtrans-62.9-44.6177.3-55.90000110.3K33 E34 V35 L39 L40 E41K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 PolarHBondContact O-N 3.49Å; K33-T37 PolarHBondContact O-OG1 3.27Å; E34-T37 PolarHBondContact O-N 3.1Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3Å; T37-L39 PolarHBondContact O-N 3.17Å; T37-L40 PolarHBondContact O-N 2.95Å; T37-E41 HydrophobicContact CG2-CG 4.48Å; T37-E41 WeakPolarHBondContact O-CB 3.43Å; T37-E41 VanDerWaalsContact O-CG 3.3Å; T37-E41 WeakPolarHBondContact O-CG 3.42Å; T37-E41 PolarHBondContact O-N 2.88Å
38A87.8Confident87Confident4 Ų443.2 Ų43.23%0.03322%0.223CC..Hα-helixtrans-61.6-41176.400000112.4L6 K9 I10 E34 V35 C36 E41 A42L6-A38 HydrophobicContact CD1-CB 3.89Å; L6-A38 WeakPolarHBondContact CD1-O 3.22Å; K9-A38 HydrophobicContact CB-CB 3.79Å; K9-A38 HydrophobicContact CD-CB 4.22Å; I10-A38 HydrophobicContact CG1-CB 4.31Å; E34-A38 PolarHBondContact O-N 3.46Å; V35-A38 PolarHBondContact O-N 3.48Å; C36-A38 VanDerWaalsContact C-N 3.35Å; A38-E41 PolarHBondContact O-N 3.03Å; A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.29Å
39L86.3Confident87.2Confident2 Ų243.3 Ų43.31%0.0122%0.224CC..Hα-helixtrans-66.9-40.1176.1-69170.1000112.3L6 I10 V35 C36 T37 A42 D43 V44 V49 L52 L83L6-L39 HydrophobicContact CD1-CD2 4.31Å; L6-L39 HydrophobicContact CD2-CD2 4.42Å; I10-L39 HydrophobicContact CD1-CD2 4.27Å; V35-L39 HydrophobicContact CG1-CD1 4.11Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.41Å; C36-L39 PolarHBondContact O-N 2.98Å; T37-L39 PolarHBondContact O-N 3.17Å; L39-A42 CarbonylContact O-C 3.59Å; L39-A42 WeakPolarHBondContact O-CA 3.38Å; L39-A42 WeakPolarHBondContact O-CB 3.38Å; L39-A42 PolarHBondContact O-N 3.37Å; L39-A42 VanDerWaalsContact O-N 3.12Å; L39-D43 PolarHBondContact O-N 2.93Å; L39-V44 HydrophobicContact CB-CB 4.22Å; L39-V44 HydrophobicContact CB-CG2 4.1Å; L39-V44 HydrophobicContact CD2-CG2 4.06Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.43Å; L39-V44 VanDerWaalsContact O-CG2 3.22Å; L39-V44 WeakPolarHBondContact O-CG2 3.25Å; L39-V44 PolarHBondContact O-N 2.86Å; L39-V49 HydrophobicContact CB-CG2 3.8Å; L39-L52 HydrophobicContact CD1-CD1 4.33Å; L39-L52 HydrophobicContact CD1-CD2 4.33Å; L39-L83 HydrophobicContact CD1-CD2 4.39Å; L39-L83 HydrophobicContact CD2-CD2 4.29Å
40L86.5Confident87.3Confident68 Ų6847.9 Ų47.936%0.35624%0.242SC..Hα-helixtrans-65.8-43.3175.4-71.4171.7000111.6C36 T37 A42 D43 I46 V49C36-L40 VanDerWaalsContact O-CG 3.29Å; C36-L40 WeakPolarHBondContact O-CG 3.4Å; C36-L40 PolarHBondContact O-N 3.43Å; T37-L40 PolarHBondContact O-N 2.95Å; L40-A42 PolarHBondContact O-N 3.37Å; L40-D43 PolarHBondContact O-N 2.95Å; L40-I46 HydrophobicContact CD2-CB 4.01Å; L40-I46 HydrophobicContact CD2-CG1 4.04Å; L40-V49 HydrophobicContact CD2-CB 4.27Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.24Å; L40-V49 HydrophobicContact CG-CG2 4.27Å
41E84.8Confident87.4Confident89 Ų8949.3 Ų49.342%0.41624%0.238SC..Hα-helixtrans-61.4-26.5172-73.8175.7153.500111.9K9 T37 A38 D43 K255K9-E41 WeakPolarHBondContact CD-OE2 3.45Å; K9-E41 VanDerWaalsContact NZ-CD 3.28Å; K9-E41 IonicContact NZ-OE1 3Å; K9-E41 PolarHBondContact NZ-OE1 3.42Å; K9-E41 IonicContact NZ-OE2 3.28Å; K9-E41 PolarHBondContact NZ-OE2 3.34Å; T37-E41 HydrophobicContact CG2-CG 4.48Å; T37-E41 WeakPolarHBondContact O-CB 3.43Å; T37-E41 VanDerWaalsContact O-CG 3.3Å; T37-E41 WeakPolarHBondContact O-CG 3.42Å; T37-E41 PolarHBondContact O-N 2.88Å; A38-E41 PolarHBondContact O-N 3.03Å; E41-D43 PolarHBondContact O-N 3.16Å; E41-K255 WeakPolarHBondContact O-CD 3.4Å; E41-K255 WeakPolarHBondContact O-CE 3.3Å; E41-K255 PolarHBondContact O-NZ 3.32Å
42A80.6Confident87.4Confident3 Ų349.2 Ų49.23%0.02524%0.238CC..THydrogen-bonded Turntrans-83.311.2173.700000114.1L6 A38 L39 L40 V44 K255 G257L6-A42 HydrophobicContact CD1-CB 3.89Å; L6-A42 HydrophobicContact CD2-CB 3.75Å; L6-A42 HydrophobicContact CG-CB 4.26Å; A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.29Å; L39-A42 CarbonylContact O-C 3.59Å; L39-A42 WeakPolarHBondContact O-CA 3.38Å; L39-A42 WeakPolarHBondContact O-CB 3.38Å; L39-A42 PolarHBondContact O-N 3.37Å; L39-A42 VanDerWaalsContact O-N 3.12Å; L40-A42 PolarHBondContact O-N 3.37Å; A42-V44 HydrophobicContact CB-CG2 4.43Å; A42-V44 PolarHBondContact O-N 3.48Å; A42-K255 HydrophobicContact CB-CB 4.01Å; A42-K255 WeakPolarHBondContact O-CB 3.49Å; A42-G257 WeakPolarHBondContact O-CA 3.38Å; A42-G257 PolarHBondContact O-N 3.45Å
43D80Confident87.4Confident54 Ų5454.3 Ų54.329%0.28926%0.257SS..THydrogen-bonded Turntrans60.828.8-180-64.6-60.6000114L39 L40 E41 Q227 K255L39-D43 PolarHBondContact O-N 2.93Å; L40-D43 PolarHBondContact O-N 2.95Å; E41-D43 PolarHBondContact O-N 3.16Å; D43-Q227 VanDerWaalsContact C-NE2 3.3Å; D43-Q227 PolarHBondContact O-NE2 2.93Å; D43-K255 HydrophobicContact CB-CD 4.49Å; D43-K255 WeakPolarHBondContact OD2-CD 3.22Å; D43-K255 IonicContact OD2-NZ 3.65Å; D43-K255 PolarHBondContact OD2-NZ 3.04Å
44V82.9Confident87.4Confident1 Ų151.9 Ų51.91%0.00625%0.248CC..  trans-72.4143.2167.8-175.10000109.5L39 A42 I46 L48 V49 Q227 L260L39-V44 HydrophobicContact CB-CB 4.22Å; L39-V44 HydrophobicContact CB-CG2 4.1Å; L39-V44 HydrophobicContact CD2-CG2 4.06Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.43Å; L39-V44 VanDerWaalsContact O-CG2 3.22Å; L39-V44 WeakPolarHBondContact O-CG2 3.25Å; L39-V44 PolarHBondContact O-N 2.86Å; A42-V44 HydrophobicContact CB-CG2 4.43Å; A42-V44 PolarHBondContact O-N 3.48Å; V44-I46 PolarHBondContact O-N 3.47Å; V44-L48 HydrophobicContact CG1-CB 4.41Å; V44-V49 HydrophobicContact CB-CG2 3.92Å; V44-V49 HydrophobicContact CG1-CG2 3.76Å; V44-Q227 PolarHBondContact O-NE2 3.46Å; V44-L260 HydrophobicContact CG1-CD1 3.94Å; V44-L260 HydrophobicContact CG2-CD1 3.8Å
45N83.8Confident87.4Confident9 Ų950.2 Ų50.25%0.04824%0.241CC..  trans-59130-179.4-167.8-57000112.5K47 L48 V49 E230N45-K47 PolarHBondContact O-N 2.94Å; N45-K47 VanDerWaalsContact O-N 3.16Å; N45-K47 WeakPolarHBondContact OD1-CB 3.37Å; N45-K47 PolarHBondContact OD1-N 3.32Å; N45-L48 HydrophobicContact CB-CB 4.32Å; N45-L48 HydrophobicContact CB-CD1 3.9Å; N45-L48 HydrophobicContact CB-CG 3.97Å; N45-L48 WeakPolarHBondContact O-CB 3.35Å; N45-L48 PolarHBondContact O-N 3.12Å; N45-V49 WeakPolarHBondContact O-CG2 3.37Å; N45-V49 PolarHBondContact O-N 2.64Å; N45-E230 PolarHBondContact ND2-OE2 3.16Å
46I86.6Confident87.4Confident107 Ų10750.2 Ų50.255%0.54924%0.242SC..Hα-helixtrans-56.5-34.1-178.2-168.8165.9000113.2L40 V44 V49 K50L40-I46 HydrophobicContact CD2-CB 4.01Å; L40-I46 HydrophobicContact CD2-CG1 4.04Å; V44-I46 PolarHBondContact O-N 3.47Å; I46-V49 PolarHBondContact O-N 3.32Å; I46-K50 WeakPolarHBondContact O-CB 3.49Å; I46-K50 PolarHBondContact O-N 2.88Å
47K87.4Confident87.2Confident146 Ų14654 Ų5464%0.63526%0.257SS*.Hα-helixtrans-66.6-41.7177.2-61.6177.2-176.5171.10110.9N45 K50 Q51N45-K47 PolarHBondContact O-N 2.94Å; N45-K47 VanDerWaalsContact O-N 3.16Å; N45-K47 WeakPolarHBondContact OD1-CB 3.37Å; N45-K47 PolarHBondContact OD1-N 3.32Å; K47-K50 PolarHBondContact O-N 3.22Å; K47-Q51 WeakPolarHBondContact O-CB 3.35Å; K47-Q51 PolarHBondContact O-N 2.88Å
48L87Confident87Confident26 Ų2656 Ų5614%0.13627%0.273CS..Hα-helixtrans-68-40.4177.3-62.2177.4000111.5V44 N45 Q51 L52 L86 A264V44-L48 HydrophobicContact CG1-CB 4.41Å; N45-L48 HydrophobicContact CB-CB 4.32Å; N45-L48 HydrophobicContact CB-CD1 3.9Å; N45-L48 HydrophobicContact CB-CG 3.97Å; N45-L48 WeakPolarHBondContact O-CB 3.35Å; N45-L48 PolarHBondContact O-N 3.12Å; L48-Q51 PolarHBondContact O-N 3.24Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 PolarHBondContact O-N 3.28Å; L48-L86 HydrophobicContact CD2-CD2 4.47Å; L48-A264 HydrophobicContact CD1-CB 3.87Å; L48-A264 HydrophobicContact CD2-CB 3.89Å
49V89.8Confident86.8Confident5 Ų559.3 Ų59.33%0.0330%0.3CS..Hα-helixtrans-63.7-43.1175.8178.40000111C36 L39 L40 V44 N45 I46 L52 R53C36-V49 HydrophobicContact CB-CG1 3.54Å; L39-V49 HydrophobicContact CB-CG2 3.8Å; L40-V49 HydrophobicContact CD2-CB 4.27Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.24Å; L40-V49 HydrophobicContact CG-CG2 4.27Å; V44-V49 HydrophobicContact CB-CG2 3.92Å; V44-V49 HydrophobicContact CG1-CG2 3.76Å; N45-V49 WeakPolarHBondContact O-CG2 3.37Å; N45-V49 PolarHBondContact O-N 2.64Å; I46-V49 PolarHBondContact O-N 3.32Å; V49-L52 PolarHBondContact O-N 3.46Å; V49-R53 PolarHBondContact O-N 2.71Å
50K90.9Very high86.5Confident133 Ų13360 Ų6058%0.57830%0.304SS*.Hα-helixtrans-62.4-46.2175.7-175.5178.3172.4-176.60111.3I46 K47 L52 R53 E54I46-K50 WeakPolarHBondContact O-CB 3.49Å; I46-K50 PolarHBondContact O-N 2.88Å; K47-K50 PolarHBondContact O-N 3.22Å; K50-L52 PolarHBondContact O-N 3.13Å; K50-R53 WeakPolarHBondContact O-CB 3.36Å; K50-R53 PolarHBondContact O-N 2.7Å; K50-E54 WeakPolarHBondContact CE-OE1 3.49Å; K50-E54 IonicContact NZ-OE1 3.57Å; K50-E54 PolarHBondContact O-N 3.31Å
51Q89.1Confident85.9Confident91 Ų9160.5 Ų60.543%0.42531%0.307SS..Hα-helixtrans-60.6-43.7177.5-17265.154.900111.9K47 L48 R53 E54 N55K47-Q51 WeakPolarHBondContact O-CB 3.35Å; K47-Q51 PolarHBondContact O-N 2.88Å; L48-Q51 PolarHBondContact O-N 3.24Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.48Å; Q51-E54 PolarHBondContact O-N 3.22Å; Q51-N55 PolarHBondContact NE2-OD1 3.02Å; Q51-N55 WeakPolarHBondContact O-CB 3.44Å; Q51-N55 PolarHBondContact O-N 3.37Å; Q51-N55 PolarHBondContact O-OD1 3.2Å
52L90Very high85Confident0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-59.1-44.8175.8174.9144.7000111.1L39 L48 V49 K50 E54 N55 V56 E82 L83 L86L39-L52 HydrophobicContact CD1-CD1 4.33Å; L39-L52 HydrophobicContact CD1-CD2 4.33Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 PolarHBondContact O-N 3.28Å; V49-L52 PolarHBondContact O-N 3.46Å; K50-L52 PolarHBondContact O-N 3.13Å; L52-E54 PolarHBondContact O-N 2.96Å; L52-N55 PolarHBondContact O-N 3.33Å; L52-V56 HydrophobicContact CD2-CG2 4.37Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CB 3.48Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.18Å; L52-E82 HydrophobicContact CB-CG 4.32Å; L52-E82 HydrophobicContact CD1-CB 4.47Å; L52-E82 HydrophobicContact CD1-CG 4.17Å; L52-E82 HydrophobicContact CG-CB 4.43Å; L52-E82 HydrophobicContact CG-CG 3.86Å; L52-L83 HydrophobicContact CD1-CD2 3.69Å; L52-L83 HydrophobicContact CD1-CG 4.14Å; L52-L86 HydrophobicContact CB-CD1 4.12Å; L52-L86 HydrophobicContact CD1-CD1 3.42Å; L52-L86 VanDerWaalsContact CD1-CD1 3.42Å; L52-L86 HydrophobicContact CD1-CG 4.25Å; L52-L86 HydrophobicContact CG-CD1 4.39Å
53R91.1Very high84.2Confident108 Ų10866.9 Ų66.941%0.40834%0.337SS..Hα-helixtrans-60.4-45.6178.7-176.4-179.1174.2-172.8-2.9111.9V49 K50 Q51 K57V49-R53 PolarHBondContact O-N 2.71Å; K50-R53 WeakPolarHBondContact O-CB 3.36Å; K50-R53 PolarHBondContact O-N 2.7Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.48Å; R53-K57 WeakPolarHBondContact O-CB 3.32Å; R53-K57 PolarHBondContact O-N 3.16Å
54E91.3Very high83.3Confident87 Ų8772.1 Ų72.141%0.40736%0.36SS..Hα-helixtrans-66.5-41.9179.6-71.4173-176.500111.6K50 Q51 L52 K57 S58K50-E54 WeakPolarHBondContact CE-OE1 3.49Å; K50-E54 IonicContact NZ-OE1 3.57Å; K50-E54 PolarHBondContact O-N 3.31Å; Q51-E54 PolarHBondContact O-N 3.22Å; L52-E54 PolarHBondContact O-N 2.96Å; E54-K57 PolarHBondContact O-N 3.26Å; E54-S58 WeakPolarHBondContact O-CB 3.49Å; E54-S58 PolarHBondContact O-N 2.99Å; E54-S58 PolarHBondContact O-OG 3.27Å
55N89.3Confident82.3Confident43 Ų4373.3 Ų73.323%0.2337%0.366CS..Hα-helixtrans-65.6-44.7177.8-71.2-6.7000111.9Q51 L52 S58 A59 E82Q51-N55 PolarHBondContact NE2-OD1 3.02Å; Q51-N55 WeakPolarHBondContact O-CB 3.44Å; Q51-N55 PolarHBondContact O-N 3.37Å; Q51-N55 PolarHBondContact O-OD1 3.2Å; L52-N55 PolarHBondContact O-N 3.33Å; N55-S58 PolarHBondContact O-N 2.82Å; N55-A59 VanDerWaalsContact O-CB 3.28Å; N55-A59 WeakPolarHBondContact O-CB 3.37Å; N55-A59 PolarHBondContact O-N 2.9Å; N55-E82 VanDerWaalsContact CB-CD 3.48Å; N55-E82 HydrophobicContact CB-CG 4.05Å; N55-E82 WeakPolarHBondContact CB-OE1 3.43Å; N55-E82 PolarHBondContact ND2-OE1 3.4Å
56V89.1Confident80.9Confident1 Ų175.9 Ų75.91%0.00639%0.389CS..Hα-helixtrans-64.9-41.1176.8176.20000110.9L32 L52 S58 A59 I60 V79 E82L32-V56 HydrophobicContact CD1-CG1 4.45Å; L32-V56 HydrophobicContact CD2-CB 4.15Å; L32-V56 HydrophobicContact CD2-CG1 3.74Å; L52-V56 HydrophobicContact CD2-CG2 4.37Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CB 3.48Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.18Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.47Å; V56-A59 PolarHBondContact O-N 3.36Å; V56-I60 HydrophobicContact CG1-CD1 3.55Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.38Å; V56-V79 HydrophobicContact CG1-CG2 4.04Å; V56-E82 HydrophobicContact CG2-CB 3.69Å; V56-E82 HydrophobicContact CG2-CG 3.94Å
57K87.1Confident79.4Confident92 Ų9277.1 Ų77.140%0.441%0.406SS..Hα-helixtrans-63.9-38.6177.4-169.6172.5-176.7172.90112E25 R53 E54E25-K57 VanDerWaalsContact OE1-CE 3.23Å; E25-K57 WeakPolarHBondContact OE1-CE 3.45Å; E25-K57 IonicContact OE1-NZ 2.74Å; E25-K57 PolarHBondContact OE1-NZ 3.21Å; R53-K57 WeakPolarHBondContact O-CB 3.32Å; R53-K57 PolarHBondContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 3.26Å
58S86.3Confident77.7Confident106 Ų10673.7 Ų73.774%0.74141%0.413SS*.Hα-helixtrans-74.6-27178.9-52.50000113E54 N55 V56 I60E54-S58 WeakPolarHBondContact O-CB 3.49Å; E54-S58 PolarHBondContact O-N 2.99Å; E54-S58 PolarHBondContact O-OG 3.27Å; N55-S58 PolarHBondContact O-N 2.82Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.47Å; S58-I60 VanDerWaalsContact C-N 3.35Å
59A82.1Confident76.1Confident74 Ų7478 Ų7861%0.61244%0.435SS*.Hα-helixtrans-83.1-9.9179.900000113.9N55 V56N55-A59 VanDerWaalsContact O-CB 3.28Å; N55-A59 WeakPolarHBondContact O-CB 3.37Å; N55-A59 PolarHBondContact O-N 2.9Å; V56-A59 PolarHBondContact O-N 3.36Å
60I81.3Confident75.2Confident17 Ų1782 Ų829%0.08746%0.457CS..  trans-112.2103.3-178.4-62.4166.2000108.4L28 V56 S58 L62 M65 I75 A78L28-I60 HydrophobicContact CD1-CD1 3.97Å; L28-I60 HydrophobicContact CD2-CD1 4.35Å; L28-I60 HydrophobicContact CD2-CG2 4.11Å; V56-I60 HydrophobicContact CG1-CD1 3.55Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.38Å; S58-I60 VanDerWaalsContact C-N 3.35Å; I60-L62 HydrophobicContact CG2-CD2 3.97Å; I60-L62 HydrophobicContact CG2-CG 4.3Å; I60-M65 HydrophobicContact CG2-SD 4.11Å; I60-I75 HydrophobicContact CD1-CB 4.42Å; I60-I75 HydrophobicContact CD1-CG1 4.12Å; I60-I75 HydrophobicContact CD1-CG2 4.14Å; I60-I75 HydrophobicContact CG2-CG1 4.41Å; I60-A78 HydrophobicContact CD1-CB 4.13Å; I60-A78 HydrophobicContact CG1-CB 4.02Å
61D72.5Confident74.4Confident78 Ų7878.9 Ų78.942%0.41744%0.443SS..  trans-92.7113.4165.2-166.4-32.6000109.3E63 E64 M65D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.3Å; D61-E63 WeakPolarHBondContact OD1-CB 3.48Å; D61-E63 PolarHBondContact OD1-N 2.88Å; D61-E64 HydrophobicContact CB-CB 4.27Å; D61-E64 PolarHBondContact OD1-N 3.46Å; D61-M65 WeakPolarHBondContact O-CG 3.29Å
62L67.6Low73.9Confident39 Ų3978.5 Ų78.520%0.20444%0.438CS..THydrogen-bonded Turntrans-74-20.3-176.9-69.6172.5000112.9E25 L28 I60 K71E25-L62 HydrophobicContact CB-CD1 4.12Å; E25-L62 HydrophobicContact CG-CD1 4.29Å; L28-L62 HydrophobicContact CD2-CD1 4.48Å; I60-L62 HydrophobicContact CG2-CD2 3.97Å; I60-L62 HydrophobicContact CG2-CG 4.3Å; L62-K71 PolarHBondContact O-NZ 3.01Å
63E62.9Low73.2Confident187 Ų18785.9 Ų85.987%0.87447%0.47SS*.THydrogen-bonded Turntrans-88.5-39.3-175.8-62-171.4172.800111.8D61 M65D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.3Å; D61-E63 WeakPolarHBondContact OD1-CB 3.48Å; D61-E63 PolarHBondContact OD1-N 2.88Å; E63-M65 VanDerWaalsContact C-N 3.34Å; E63-M65 PolarHBondContact O-N 3.29Å
64E61.6Low72.7Confident165 Ų16583.9 Ų83.977%0.77147%0.466SS*.THydrogen-bonded Turntrans-76.2-17176.3-83.1-164.5149.400114.3D61 A66D61-E64 HydrophobicContact CB-CB 4.27Å; D61-E64 PolarHBondContact OD1-N 3.46Å; E64-A66 PolarHBondContact O-N 2.92Å
65M61.7Low72.2Confident25 Ų2579.8 Ų79.812%0.12345%0.447CS..SBendtrans-69.997.2-176.1-82.3177.647.900112I60 D61 E63 K71 M74I60-M65 HydrophobicContact CG2-SD 4.11Å; D61-M65 WeakPolarHBondContact O-CG 3.29Å; E63-M65 VanDerWaalsContact C-N 3.34Å; E63-M65 PolarHBondContact O-N 3.29Å; M65-K71 VanDerWaalsContact CE-CA 3.46Å; M65-K71 HydrophobicContact CE-CB 3.46Å; M65-K71 VanDerWaalsContact CE-CB 3.46Å; M65-K71 HydrophobicContact CE-CD 4.18Å; M65-K71 HydrophobicContact CE-CG 3.61Å; M65-K71 VanDerWaalsContact O-CE 3.3Å; M65-K71 WeakPolarHBondContact O-CE 3.37Å; M65-M74 HydrophobicContact CB-SD 4.5Å; M65-M74 HydrophobicContact CE-CB 3.76Å; M65-M74 HydrophobicContact CE-CG 4.28Å; M65-M74 HydrophobicContact CE-SD 3.57Å; M65-M74 VanDerWaalsContact CE-SD 3.57Å; M65-M74 HydrophobicContact CG-SD 3.89Å; M65-M74 HydrophobicContact SD-CB 4.39Å; M65-M74 HydrophobicContact SD-SD 4.08Å
66A54.3Low71.8Confident64 Ų6480.6 Ų80.653%0.52945%0.449SS..  trans-44.6137.7-178.300000114.2E64 G68 L69E64-A66 PolarHBondContact O-N 2.92Å; A66-G68 PolarHBondContact O-N 3.4Å; A66-L69 PolarHBondContact O-N 3.31Å
67S55.1Low71.5Confident132 Ų13285.3 Ų85.392%0.92347%0.471SS*.THydrogen-bonded Turntrans-64.46.4-171.149.30000117
68G51Low71.4Confident74 Ų7481.8 Ų81.876%0.76346%0.459SS*.THydrogen-bonded Turntrans-121.6-18.1-177.700000115.8A66A66-G68 PolarHBondContact O-N 3.4Å
69L55Low71.4Confident116 Ų11676.8 Ų76.861%0.60742%0.424SS*.SBendtrans-92.2131.8173.7-84.4158.1000109.1A66 K71 M74A66-L69 PolarHBondContact O-N 3.31Å; L69-K71 PolarHBondContact O-N 2.91Å; L69-M74 HydrophobicContact CB-CE 3.47Å; L69-M74 VanDerWaalsContact CB-CE 3.47Å; L69-M74 HydrophobicContact CD1-CE 3.52Å; L69-M74 HydrophobicContact CG-CE 4.05Å
70N69.6Low71.6Confident91 Ų9174.1 Ų74.149%0.48740%0.399SS..  trans-5895.1-176.3-156.9-8.8000109.2R72 K73N70-R72 CarbonylContact O-C 3.59Å; N70-R72 PolarHBondContact O-N 2.93Å; N70-R72 WeakPolarHBondContact OD1-CD 3.46Å; N70-R72 PolarHBondContact OD1-NH1 2.97Å; N70-K73 HydrophobicContact CB-CB 4.45Å; N70-K73 WeakPolarHBondContact O-CB 3.29Å; N70-K73 PolarHBondContact O-N 3.12Å
71K75.1Confident71.9Confident67 Ų6779.2 Ų79.229%0.29142%0.42SS..Hα-helixtrans-46.2-32.7-175.4-66.2-165.9177.1-162.70112.2I23 L62 M65 L69 K73 M74 I75I23-K71 HydrophobicContact CD1-CB 3.96Å; L62-K71 PolarHBondContact O-NZ 3.01Å; M65-K71 VanDerWaalsContact CE-CA 3.46Å; M65-K71 HydrophobicContact CE-CB 3.46Å; M65-K71 VanDerWaalsContact CE-CB 3.46Å; M65-K71 HydrophobicContact CE-CD 4.18Å; M65-K71 HydrophobicContact CE-CG 3.61Å; M65-K71 VanDerWaalsContact O-CE 3.3Å; M65-K71 WeakPolarHBondContact O-CE 3.37Å; L69-K71 PolarHBondContact O-N 2.91Å; K71-K73 PolarHBondContact O-N 3.05Å; K71-M74 PolarHBondContact O-N 2.98Å; K71-I75 WeakPolarHBondContact O-CG1 3.46Å; K71-I75 PolarHBondContact O-N 2.71Å; K71-I75 VanDerWaalsContact O-N 3.09Å
72R77Confident72.6Confident83 Ų8376.4 Ų76.431%0.31341%0.405SS..Hα-helixtrans-51.2-51.3171.3-57.8175.8175.7122-1.9113.9L17 S18 A20 I23 N70 M74 I75 Q76L17-R72 HydrophobicContact CD2-CB 4.05Å; L17-R72 HydrophobicContact CD2-CG 3.97Å; S18-R72 PolarHBondContact O-NE 2.97Å; A20-R72 PolarHBondContact O-NH2 3.4Å; I23-R72 HydrophobicContact CD1-CB 4.44Å; I23-R72 HydrophobicContact CD1-CG 3.43Å; I23-R72 VanDerWaalsContact CD1-CG 3.43Å; N70-R72 CarbonylContact O-C 3.59Å; N70-R72 PolarHBondContact O-N 2.93Å; N70-R72 WeakPolarHBondContact OD1-CD 3.46Å; N70-R72 PolarHBondContact OD1-NH1 2.97Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 2.61Å; R72-I75 PolarHBondContact O-N 3.35Å; R72-Q76 PolarHBondContact O-N 2.92Å
73K77.1Confident73.5Confident154 Ų15474.7 Ų74.767%0.6740%0.396SS*.Hα-helixtrans-68.9-33.5-176.9-166.3174.4-178179.60111.2N70 K71 H77N70-K73 HydrophobicContact CB-CB 4.45Å; N70-K73 WeakPolarHBondContact O-CB 3.29Å; N70-K73 PolarHBondContact O-N 3.12Å; K71-K73 PolarHBondContact O-N 3.05Å; K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3.46Å
74M79.1Confident74.6Confident67 Ų6766.4 Ų66.433%0.3336%0.358SS..Hα-helixtrans-66.3-45.2174.1-72.9177.6173.900111.7M65 L69 K71 R72 H77 A78M65-M74 HydrophobicContact CB-SD 4.5Å; M65-M74 HydrophobicContact CE-CB 3.76Å; M65-M74 HydrophobicContact CE-CG 4.28Å; M65-M74 HydrophobicContact CE-SD 3.57Å; M65-M74 VanDerWaalsContact CE-SD 3.57Å; M65-M74 HydrophobicContact CG-SD 3.89Å; M65-M74 HydrophobicContact SD-CB 4.39Å; M65-M74 HydrophobicContact SD-SD 4.08Å; L69-M74 HydrophobicContact CB-CE 3.47Å; L69-M74 VanDerWaalsContact CB-CE 3.47Å; L69-M74 HydrophobicContact CD1-CE 3.52Å; L69-M74 HydrophobicContact CG-CE 4.05Å; K71-M74 PolarHBondContact O-N 2.98Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 2.61Å; M74-H77 PolarHBondContact O-N 3.01Å; M74-A78 WeakPolarHBondContact O-CB 3.3Å; M74-A78 PolarHBondContact O-N 3.33Å
75I81.4Confident75.7Confident0 Ų064.9 Ų64.90%035%0.349CS..Hα-helixtrans-62.8-45.5177.1-64.5166.9000110.7L17 I23 L28 M31 I60 K71 R72 H77 A78 V79L17-I75 HydrophobicContact CD1-CD1 4.11Å; L17-I75 HydrophobicContact CD1-CG2 3.91Å; L17-I75 HydrophobicContact CD2-CD1 4.05Å; I23-I75 HydrophobicContact CG2-CD1 3.69Å; L28-I75 HydrophobicContact CD1-CD1 4.32Å; L28-I75 HydrophobicContact CD1-CG2 3.83Å; M31-I75 HydrophobicContact CE-CG2 3.6Å; I60-I75 HydrophobicContact CD1-CB 4.42Å; I60-I75 HydrophobicContact CD1-CG1 4.12Å; I60-I75 HydrophobicContact CD1-CG2 4.14Å; I60-I75 HydrophobicContact CG2-CG1 4.41Å; K71-I75 WeakPolarHBondContact O-CG1 3.46Å; K71-I75 PolarHBondContact O-N 2.71Å; K71-I75 VanDerWaalsContact O-N 3.09Å; R72-I75 PolarHBondContact O-N 3.35Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 2.9Å; I75-A78 PolarHBondContact O-N 2.95Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 3.43Å
76Q80.5Confident76.7Confident61 Ų6164.8 Ų64.829%0.28535%0.348SS..Hα-helixtrans-58.8-43175.2-176.5175.915.400111.7L14 R72 V79 F80L14-Q76 HydrophobicContact CD1-CG 4.15Å; L14-Q76 HydrophobicContact CD2-CB 4.37Å; L14-Q76 HydrophobicContact CD2-CG 4.36Å; R72-Q76 PolarHBondContact O-N 2.92Å; Q76-V79 PolarHBondContact O-N 2.88Å; Q76-F80 WeakPolarHBondContact O-CB 3.47Å; Q76-F80 PolarHBondContact O-N 3.27Å
77H83.1Confident77.9Confident99 Ų9961.9 Ų61.946%0.45832%0.324SS..Hα-helixtrans-66.6-36.8177.4-168.566000112.8K73 M74 I75 F80 K81K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3.46Å; M74-H77 PolarHBondContact O-N 3.01Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 2.9Å; H77-F80 PolarHBondContact O-N 3.29Å; H77-K81 WeakPolarHBondContact NE2-CE 3.38Å; H77-K81 WeakPolarHBondContact O-CB 3.5Å; H77-K81 WeakPolarHBondContact O-CG 3.36Å; H77-K81 PolarHBondContact O-N 3.49Å
78A85.8Confident79.3Confident19 Ų1959.3 Ų59.316%0.15730%0.3CS..Hα-helixtrans-64.9-47.1175.700000111.5I60 M74 I75 F80 K81 E82I60-A78 HydrophobicContact CD1-CB 4.13Å; I60-A78 HydrophobicContact CG1-CB 4.02Å; M74-A78 WeakPolarHBondContact O-CB 3.3Å; M74-A78 PolarHBondContact O-N 3.33Å; I75-A78 PolarHBondContact O-N 2.95Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 3.44Å; A78-K81 PolarHBondContact O-N 2.92Å; A78-E82 PolarHBondContact O-N 3.27Å
79V86.4Confident80.7Confident0 Ų057.4 Ų57.40%027%0.274CS..Hα-helixtrans-60.5-45.6174.5173.40000110.7M31 L32 V56 I75 Q76 E82 L83M31-V79 HydrophobicContact CE-CG2 4.22Å; L32-V79 HydrophobicContact CD2-CG2 4.5Å; V56-V79 HydrophobicContact CG1-CG2 4.04Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 3.43Å; Q76-V79 PolarHBondContact O-N 2.88Å; V79-E82 PolarHBondContact O-N 3.14Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 WeakPolarHBondContact O-CB 3.33Å; V79-L83 WeakPolarHBondContact O-CG 3.48Å; V79-L83 PolarHBondContact O-N 3.39Å
80F85.5Confident82Confident18 Ų1855.1 Ų55.18%0.07928%0.279CS..Hα-helixtrans-59.3-48.6177.6176.8-97.6000112.1Q76 H77 A78 E82 L83 V84 I291 S292 L295Q76-F80 WeakPolarHBondContact O-CB 3.47Å; Q76-F80 PolarHBondContact O-N 3.27Å; H77-F80 PolarHBondContact O-N 3.29Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 3.44Å; F80-E82 VanDerWaalsContact C-N 3.31Å; F80-E82 PolarHBondContact O-N 2.81Å; F80-L83 PolarHBondContact O-N 2.8Å; F80-V84 HydrophobicContact CD1-CG2 4.27Å; F80-V84 HydrophobicContact CE1-CG2 3.89Å; F80-V84 HydrophobicContact CE2-CG2 4.33Å; F80-V84 HydrophobicContact CZ-CG2 3.94Å; F80-V84 WeakPolarHBondContact O-CG2 3.37Å; F80-V84 PolarHBondContact O-N 3.45Å; F80-I291 HydrophobicContact CD2-CB 4.42Å; F80-I291 HydrophobicContact CD2-CG2 3.54Å; F80-I291 HydrophobicContact CE2-CB 3.94Å; F80-I291 HydrophobicContact CE2-CG2 3.57Å; F80-S292 WeakPolarHBondContact CE2-OG 3.43Å; F80-L295 HydrophobicContact CB-CD1 4.03Å; F80-L295 HydrophobicContact CD2-CD1 3.61Å; F80-L295 HydrophobicContact CG-CD1 4.32Å
81K87.2Confident82.6Confident124 Ų12454.4 Ų54.454%0.53928%0.277SS..Hα-helixtrans-58.3-42.9176.9-84-179.9161.6179.70112.2H77 A78 V84 K85H77-K81 WeakPolarHBondContact NE2-CE 3.38Å; H77-K81 WeakPolarHBondContact O-CB 3.5Å; H77-K81 WeakPolarHBondContact O-CG 3.36Å; H77-K81 PolarHBondContact O-N 3.49Å; A78-K81 PolarHBondContact O-N 2.92Å; K81-V84 PolarHBondContact O-N 3.28Å; K81-K85 WeakPolarHBondContact O-CB 3.36Å; K81-K85 PolarHBondContact O-N 2.55Å
82E88.3Confident83Confident20 Ų2060.6 Ų60.69%0.09330%0.304CS..Hα-helixtrans-71.1-36.7-179.4-162.859.2-156.700111.9L52 N55 V56 A78 V79 F80 K85 L86L52-E82 HydrophobicContact CB-CG 4.32Å; L52-E82 HydrophobicContact CD1-CB 4.47Å; L52-E82 HydrophobicContact CD1-CG 4.17Å; L52-E82 HydrophobicContact CG-CB 4.43Å; L52-E82 HydrophobicContact CG-CG 3.86Å; N55-E82 VanDerWaalsContact CB-CD 3.48Å; N55-E82 HydrophobicContact CB-CG 4.05Å; N55-E82 WeakPolarHBondContact CB-OE1 3.43Å; N55-E82 PolarHBondContact ND2-OE1 3.4Å; V56-E82 HydrophobicContact CG2-CB 3.69Å; V56-E82 HydrophobicContact CG2-CG 3.94Å; A78-E82 PolarHBondContact O-N 3.27Å; V79-E82 PolarHBondContact O-N 3.14Å; F80-E82 VanDerWaalsContact C-N 3.31Å; F80-E82 PolarHBondContact O-N 2.81Å; E82-K85 PolarHBondContact O-N 2.91Å; E82-L86 WeakPolarHBondContact O-CG 3.4Å; E82-L86 PolarHBondContact O-N 3.4Å
83L84.9Confident83.6Confident3 Ų358.8 Ų58.82%0.01631%0.307CS..Hα-helixtrans-61.5-44.4171-74.8171.2000111.6L39 L52 V79 F80 K85 L86 V87 I291 L295L39-L83 HydrophobicContact CD1-CD2 4.39Å; L39-L83 HydrophobicContact CD2-CD2 4.29Å; L52-L83 HydrophobicContact CD1-CD2 3.69Å; L52-L83 HydrophobicContact CD1-CG 4.14Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 WeakPolarHBondContact O-CB 3.33Å; V79-L83 WeakPolarHBondContact O-CG 3.48Å; V79-L83 PolarHBondContact O-N 3.39Å; F80-L83 PolarHBondContact O-N 2.8Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-L86 PolarHBondContact O-N 3.16Å; L83-V87 WeakPolarHBondContact O-CG2 3.36Å; L83-V87 PolarHBondContact O-N 3.33Å; L83-I291 HydrophobicContact CB-CD1 4.41Å; L83-I291 HydrophobicContact CB-CG2 3.9Å; L83-I291 HydrophobicContact CD1-CG2 4.33Å; L83-L295 HydrophobicContact CD1-CD2 4.05Å
84V86.2Confident84.3Confident13 Ų1354.5 Ų54.58%0.07929%0.287CS..Hα-helixtrans-60.2-44.3174.5169.70000110.6F80 K81 L86 V87 D88 T287 I291F80-V84 HydrophobicContact CD1-CG2 4.27Å; F80-V84 HydrophobicContact CE1-CG2 3.89Å; F80-V84 HydrophobicContact CE2-CG2 4.33Å; F80-V84 HydrophobicContact CZ-CG2 3.94Å; F80-V84 WeakPolarHBondContact O-CG2 3.37Å; F80-V84 PolarHBondContact O-N 3.45Å; K81-V84 PolarHBondContact O-N 3.28Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 2.87Å; V84-V87 CarbonylContact O-C 3.52Å; V84-V87 PolarHBondContact O-N 3.49Å; V84-D88 HydrophobicContact CG1-CB 4.44Å; V84-D88 WeakPolarHBondContact O-CB 3.07Å; V84-D88 PolarHBondContact O-N 3.08Å; V84-T287 HydrophobicContact CB-CG2 4.49Å; V84-T287 HydrophobicContact CG1-CG2 3.99Å; V84-I291 HydrophobicContact CG2-CB 4.12Å; V84-I291 HydrophobicContact CG2-CG1 4.09Å; V84-I291 HydrophobicContact CG2-CG2 4.24Å
85K85.8Confident84.8Confident133 Ų13356.1 Ų56.158%0.57830%0.301SS*.Hα-helixtrans-63.5-30.2179.8-169.4-179.2178.1-172.20113.4K81 E82 L83 V87K81-K85 WeakPolarHBondContact O-CB 3.36Å; K81-K85 PolarHBondContact O-N 2.55Å; E82-K85 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-V87 VanDerWaalsContact C-N 3.28Å
86L81.6Confident85.4Confident23 Ų2357.2 Ų57.212%0.1231%0.307CS..Hα-helixtrans-68.2-29.3172.9-74.1-176.4000113L48 L52 E82 L83 V84L48-L86 HydrophobicContact CD2-CD2 4.47Å; L52-L86 HydrophobicContact CB-CD1 4.12Å; L52-L86 HydrophobicContact CD1-CD1 3.42Å; L52-L86 VanDerWaalsContact CD1-CD1 3.42Å; L52-L86 HydrophobicContact CD1-CG 4.25Å; L52-L86 HydrophobicContact CG-CD1 4.39Å; E82-L86 WeakPolarHBondContact O-CG 3.4Å; E82-L86 PolarHBondContact O-N 3.4Å; L83-L86 PolarHBondContact O-N 3.16Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 2.87Å
87V81.1Confident86.1Confident2 Ų258.2 Ų58.21%0.01232%0.318CS..Hα-helixtrans-99.9-21.9-173.4-166.40000111.9L83 V84 K85 P89 L260 V263 I270 F285 T287 I291L83-V87 WeakPolarHBondContact O-CG2 3.36Å; L83-V87 PolarHBondContact O-N 3.33Å; V84-V87 CarbonylContact O-C 3.52Å; V84-V87 PolarHBondContact O-N 3.49Å; K85-V87 VanDerWaalsContact C-N 3.28Å; V87-P89 WeakPolarHBondContact O-CD 3.44Å; V87-L260 HydrophobicContact CB-CD2 4.04Å; V87-L260 HydrophobicContact CG1-CD2 4.31Å; V87-L260 HydrophobicContact CG2-CD2 3.12Å; V87-V263 WeakPolarHBondContact O-CG1 3.36Å; V87-I270 HydrophobicContact CG1-CD1 4.21Å; V87-F285 HydrophobicContact CG1-CE1 3.93Å; V87-F285 HydrophobicContact CG1-CZ 3.67Å; V87-T287 HydrophobicContact CB-CG2 3.62Å; V87-T287 HydrophobicContact CG1-CG2 3.84Å; V87-T287 HydrophobicContact CG2-CG2 4.37Å; V87-I291 HydrophobicContact CG2-CD1 3.75Å; V87-I291 HydrophobicContact CG2-CG1 4.24Å
88D83.7Confident86.4Confident78 Ų7858.4 Ų58.442%0.41732%0.318SS..  trans-97.5109.8-179.3-169.3-8.4000110.3V84 G90 T287V84-D88 HydrophobicContact CG1-CB 4.44Å; V84-D88 WeakPolarHBondContact O-CB 3.07Å; V84-D88 PolarHBondContact O-N 3.08Å; D88-G90 PolarHBondContact O-N 3.49Å; D88-G90 PolarHBondContact OD1-N 2.9Å; D88-T287 HydrophobicContact CB-CG2 4.36Å
89P80.4Confident86.4Confident35 Ų3561 Ų6123%0.22735%0.347CS..  trans-75.7-5.4176.631.1-32.7000113.1V87 V91 V263 K267 P269V87-P89 WeakPolarHBondContact O-CD 3.44Å; P89-V91 HydrophobicContact CB-CG2 4.43Å; P89-V91 HydrophobicContact CG-CB 4.36Å; P89-V91 PolarHBondContact O-N 3.42Å; P89-V263 HydrophobicContact CB-CG1 4.02Å; P89-V263 HydrophobicContact CG-CG1 4.08Å; P89-K267 WeakPolarHBondContact CB-O 3.38Å; P89-P269 HydrophobicContact CG-CB 3.99Å
90G81.3Confident86.7Confident68 Ų6866.1 Ų66.170%0.70137%0.369SS*.SBendtrans72.87.9-174.100000113.8D88D88-G90 PolarHBondContact O-N 3.49Å; D88-G90 PolarHBondContact OD1-N 2.9Å
91V82.8Confident87.1Confident75 Ų7568.5 Ų68.546%0.45538%0.38SS..PPolyproline II helixtrans-102.5128.6179.3179.90000108.7P89P89-V91 HydrophobicContact CB-CG2 4.43Å; P89-V91 HydrophobicContact CG-CB 4.36Å; P89-V91 PolarHBondContact O-N 3.42Å
92K84.7Confident87.6Confident198 Ų19862.7 Ų62.786%0.86136%0.355SS*.PPolyproline II helixtrans-66.6136.1175.4-71.3-174.3178.9-1800109.9
93A87.7Confident88.1Confident45 Ų4562 Ų6237%0.37235%0.352SS..PPolyproline II helixtrans-56.6139.4171.700000110.7T95 P269 I271A93-T95 PolarHBondContact O-N 2.98Å; A93-P269 HydrophobicContact CB-CG 4.22Å; A93-I271 HydrophobicContact CB-CG2 3.64Å
94W91.8Very high88.7Confident63 Ų6362 Ų6224%0.23935%0.351CS..PPolyproline II helixtrans-60.5136.6169.3173.395.2000109.7P96 N102 I104 D215 N216W94-P96 HydrophobicContact CH2-CB 3.59Å; W94-P96 HydrophobicContact CH2-CG 4.42Å; W94-P96 HydrophobicContact CZ2-CB 4.27Å; W94-P96 HydrophobicContact CZ3-CB 3.96Å; W94-P96 HydrophobicContact CZ3-CG 4.3Å; W94-N102 HydrophobicContact CH2-CB 3.78Å; W94-N102 HydrophobicContact CZ2-CB 3.9Å; W94-I104 HydrophobicContact CH2-CD1 3.84Å; W94-I104 HydrophobicContact CH2-CG1 3.91Å; W94-I104 HydrophobicContact CZ3-CD1 3.72Å; W94-I104 HydrophobicContact CZ3-CG1 4.11Å; W94-D215 HydrophobicContact CZ2-CB 3.88Å; W94-D215 PolarHBondContact NE1-O 3.45Å; W94-N216 HydrophobicContact CB-CB 4.48Å; W94-N216 HydrophobicContact CD2-CB 3.67Å; W94-N216 HydrophobicContact CE3-CB 3.85Å; W94-N216 HydrophobicContact CG-CB 3.96Å; W94-N216 HydrophobicContact CZ2-CB 4.41Å; W94-N216 HydrophobicContact CZ3-CB 4.28Å
95T91.3Very high89.3Confident102 Ų10261.3 Ų61.363%0.62635%0.348SS*.  trans-121.2131.2178.953.90000110A93A93-T95 PolarHBondContact O-N 2.98Å
96P94.2Very high89.8Confident22 Ų2255 Ų5514%0.14332%0.32CS..PPolyproline II helixtrans-64.7148.2177.227.7-34.2000111.1W94 N102 Y125 W130 I186W94-P96 HydrophobicContact CH2-CB 3.59Å; W94-P96 HydrophobicContact CH2-CG 4.42Å; W94-P96 HydrophobicContact CZ2-CB 4.27Å; W94-P96 HydrophobicContact CZ3-CB 3.96Å; W94-P96 HydrophobicContact CZ3-CG 4.3Å; P96-N102 WeakPolarHBondContact CA-OD1 3.41Å; P96-N102 HydrophobicContact CB-CB 4.33Å; P96-Y125 HydrophobicContact CG-CE1 3.72Å; P96-W130 HydrophobicContact CB-CH2 3.71Å; P96-W130 HydrophobicContact CB-CZ2 4.29Å; P96-W130 HydrophobicContact CB-CZ3 3.99Å; P96-W130 HydrophobicContact CG-CH2 3.9Å; P96-W130 HydrophobicContact CG-CZ2 3.97Å; P96-I186 HydrophobicContact CB-CD1 3.6Å; P96-I186 HydrophobicContact CG-CD1 4.25Å
97T94.4Very high90.5Very high83 Ų8353.9 Ų53.951%0.50931%0.314SS..PPolyproline II helixtrans-102.9124.8177.6-56.70000110.2K100 N102T97-K100 HydrophobicContact CG2-CB 4.32Å; T97-K100 PolarHBondContact O-N 2.95Å; T97-N102 PolarHBondContact N-OD1 2.87Å; T97-N102 PolarHBondContact O-ND2 3Å
98K90.1Very high91.1Very high103 Ų10353.9 Ų53.945%0.44831%0.314SS..THydrogen-bonded Turntrans-65142.3178-91.8-64.2-171.2176.80111.1K100 G129 W130 E185K98-K100 PolarHBondContact O-N 3.34Å; K98-G129 PolarHBondContact NZ-O 3.38Å; K98-W130 HydrophobicContact CB-CH2 4.08Å; K98-W130 HydrophobicContact CB-CZ3 4.38Å; K98-W130 HydrophobicContact CD-CD2 3.87Å; K98-W130 HydrophobicContact CD-CE3 3.71Å; K98-W130 HydrophobicContact CD-CH2 3.69Å; K98-W130 HydrophobicContact CD-CZ2 3.79Å; K98-W130 HydrophobicContact CD-CZ3 3.63Å; K98-W130 VanDerWaalsContact CE-CD2 3.42Å; K98-W130 HydrophobicContact CG-CE3 4.45Å; K98-W130 HydrophobicContact CG-CH2 3.49Å; K98-W130 VanDerWaalsContact CG-CH2 3.49Å; K98-W130 HydrophobicContact CG-CZ2 3.61Å; K98-W130 HydrophobicContact CG-CZ3 3.93Å; K98-E185 VanDerWaalsContact CD-OE1 3.25Å; K98-E185 WeakPolarHBondContact CD-OE1 3.47Å; K98-E185 IonicContact NZ-OE1 3.71Å; K98-E185 IonicContact NZ-OE2 3.21Å; K98-E185 PolarHBondContact NZ-OE2 2.58Å
99G85.6Confident91.4Very high74 Ų7451.6 Ų51.676%0.76330%0.302SS*.THydrogen-bonded Turntrans72.9-1.7-178.100000115.3E185G99-E185 PolarHBondContact N-OE1 3.37Å
100K93Very high91.7Very high107 Ų10757.5 Ų57.547%0.46533%0.327SS..SBendtrans-105.6154.6169-161.7-160.9172.3-160.80109.3T97 K98 N102 D215T97-K100 HydrophobicContact CG2-CB 4.32Å; T97-K100 PolarHBondContact O-N 2.95Å; K98-K100 PolarHBondContact O-N 3.34Å; K100-N102 PolarHBondContact O-ND2 3.31Å; K100-D215 IonicContact NZ-OD1 3.27Å; K100-D215 PolarHBondContact NZ-OD1 3.28Å
101Q93.6Very high92.1Very high67 Ų6756.7 Ų56.731%0.31332%0.318SS..  trans-72.7126.1163.3-66.8159.7-1.900108.8K180Q101-K180 HydrophobicContact CG-CG 4.26Å; Q101-K180 PolarHBondContact NE2-O 2.89Å; Q101-K180 VanDerWaalsContact OE1-CE 3.22Å
102N97.6Very high92.5Very high2 Ų253.3 Ų53.31%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-117.8110.3176.9-54.3-94.2000108.2W94 P96 T97 K100 E185 I186 I187 D215W94-N102 HydrophobicContact CH2-CB 3.78Å; W94-N102 HydrophobicContact CZ2-CB 3.9Å; P96-N102 WeakPolarHBondContact CA-OD1 3.41Å; P96-N102 HydrophobicContact CB-CB 4.33Å; T97-N102 PolarHBondContact N-OD1 2.87Å; T97-N102 PolarHBondContact O-ND2 3Å; K100-N102 PolarHBondContact O-ND2 3.31Å; N102-E185 WeakPolarHBondContact CA-O 3.4Å; N102-E185 VanDerWaalsContact CB-O 3.29Å; N102-E185 WeakPolarHBondContact CB-O 3.42Å; N102-E185 PolarHBondContact N-O 3.48Å; N102-E185 PolarHBondContact ND2-O 3.34Å; N102-I186 HydrophobicContact CB-CD1 3.92Å; N102-I187 PolarHBondContact O-N 3.13Å; N102-D215 WeakPolarHBondContact CA-OD2 3.35Å
103I98.1Very high92.9Very high7 Ų744.9 Ų44.94%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-98121.4-177.5-56.7167.8000108.5V176 I187 I212 P214 D215 N216I103-V176 HydrophobicContact CD1-CG1 3.71Å; I103-V176 HydrophobicContact CG1-CG1 4.39Å; I103-V176 HydrophobicContact CG2-CG2 4.35Å; I103-I187 WeakPolarHBondContact CA-O 3.26Å; I103-I187 HydrophobicContact CG1-CB 4.41Å; I103-I187 HydrophobicContact CG1-CD1 4.35Å; I103-I212 WeakPolarHBondContact CD1-O 3.39Å; I103-I212 HydrophobicContact CG2-CD1 4.25Å; I103-I212 HydrophobicContact CG2-CG1 4.35Å; I103-P214 HydrophobicContact CG2-CB 4.16Å; I103-P214 CarbonylContact O-C 3.44Å; I103-D215 PolarHBondContact N-OD2 3.47Å; I103-D215 PolarHBondContact O-N 3.36Å; I103-N216 PolarHBondContact O-N 2.86Å
104I98.3Very high93.3Very high1 Ų143.3 Ų43.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-120.3117.3-176.7-49.9175.4000108.8W94 F106 L121 I186 I187 I188 V189 N216 V218W94-I104 HydrophobicContact CH2-CD1 3.84Å; W94-I104 HydrophobicContact CH2-CG1 3.91Å; W94-I104 HydrophobicContact CZ3-CD1 3.72Å; W94-I104 HydrophobicContact CZ3-CG1 4.11Å; I104-F106 HydrophobicContact CG2-CD2 4.07Å; I104-F106 HydrophobicContact CG2-CE2 3.68Å; I104-L121 HydrophobicContact CD1-CD2 4.13Å; I104-I186 HydrophobicContact CD1-CG2 4.16Å; I104-I187 PolarHBondContact N-O 2.91Å; I104-I188 WeakPolarHBondContact O-CA 3.44Å; I104-V189 PolarHBondContact O-N 2.77Å; I104-N216 WeakPolarHBondContact CA-O 3.43Å; I104-N216 HydrophobicContact CG2-CB 4.46Å; I104-V218 HydrophobicContact CG2-CG2 3.55Å
105M98.1Very high93.5Very high0 Ų040.7 Ų40.70%024%0.243CC..EExtended strand (participates in β ladder)trans-101.2128.2179.5-175.3-176.7176.200110.5V107 T191 M205 V208 A209 I212 P214 N216 I217 V218M105-V107 HydrophobicContact CE-CG1 3.95Å; M105-V107 HydrophobicContact CG-CG1 4.21Å; M105-V107 HydrophobicContact SD-CG1 4.42Å; M105-T191 HydrophobicContact CE-CG2 3.67Å; M105-T191 HydrophobicContact CG-CG2 4.03Å; M105-M205 HydrophobicContact CE-CG 3.67Å; M105-V208 HydrophobicContact CE-CB 4.1Å; M105-V208 HydrophobicContact CE-CG1 3.86Å; M105-V208 HydrophobicContact SD-CG1 4.48Å; M105-A209 HydrophobicContact CE-CB 4.35Å; M105-A209 HydrophobicContact SD-CB 3.82Å; M105-I212 HydrophobicContact CB-CD1 4.28Å; M105-I212 HydrophobicContact CG-CD1 4.33Å; M105-I212 HydrophobicContact SD-CD1 4.23Å; M105-P214 HydrophobicContact CB-CB 3.87Å; M105-P214 HydrophobicContact CB-CG 4.11Å; M105-P214 HydrophobicContact SD-CG 4.33Å; M105-N216 PolarHBondContact N-O 3.42Å; M105-I217 HydrophobicContact CB-CG1 4.35Å; M105-I217 WeakPolarHBondContact O-CA 2.96Å; M105-V218 PolarHBondContact O-N 3.25Å
106F97.6Very high93.7Very high0 Ų038 Ų380%023%0.226CC..EExtended strand (participates in β ladder)trans-98.6125.6179.6-86.2-121.4000110.6I104 T117 C118 L121 I188 V189 T191 V218 V220 I246I104-F106 HydrophobicContact CG2-CD2 4.07Å; I104-F106 HydrophobicContact CG2-CE2 3.68Å; F106-T117 HydrophobicContact CE1-CG2 3.67Å; F106-T117 HydrophobicContact CZ-CG2 4.45Å; F106-C118 WeakPolarHBondContact CD1-SG 3.35Å; F106-C118 WeakPolarHBondContact CG-SG 3.44Å; F106-L121 HydrophobicContact CE2-CD2 3.69Å; F106-L121 HydrophobicContact CZ-CB 4.19Å; F106-L121 HydrophobicContact CZ-CD2 3.51Å; F106-L121 HydrophobicContact CZ-CG 4.46Å; F106-I188 HydrophobicContact CD2-CG2 3.7Å; F106-I188 HydrophobicContact CE2-CG2 3.65Å; F106-I188 HydrophobicContact CZ-CG2 4.47Å; F106-V189 PolarHBondContact N-O 3.12Å; F106-T191 WeakPolarHBondContact O-CB 3.25Å; F106-T191 WeakPolarHBondContact O-CG2 3.34Å; F106-T191 PolarHBondContact O-OG1 2.83Å; F106-V218 HydrophobicContact CD2-CB 4.31Å; F106-V218 HydrophobicContact CE1-CG1 4.33Å; F106-V218 HydrophobicContact CE2-CB 4.25Å; F106-V218 HydrophobicContact CE2-CG2 4.21Å; F106-V218 HydrophobicContact CZ-CB 4.43Å; F106-V218 HydrophobicContact CZ-CG1 4.33Å; F106-V220 HydrophobicContact CD1-CG2 3.37Å; F106-V220 HydrophobicContact CE1-CG2 3.75Å; F106-V220 HydrophobicContact CG-CG2 4.35Å; F106-I246 HydrophobicContact CE1-CD1 4.01Å; F106-I246 HydrophobicContact CZ-CD1 4Å
107V95.3Very high93.9Very high0 Ų037.1 Ų37.10%022%0.221CC..EExtended strand (participates in β ladder)trans-130.9160.7-179.8-58.60000111M105 M205 I217 V218 Y219 V220 F236 V242M105-V107 HydrophobicContact CE-CG1 3.95Å; M105-V107 HydrophobicContact CG-CG1 4.21Å; M105-V107 HydrophobicContact SD-CG1 4.42Å; V107-M205 HydrophobicContact CB-SD 3.85Å; V107-M205 HydrophobicContact CG1-CG 4.1Å; V107-M205 HydrophobicContact CG1-SD 3.51Å; V107-M205 VanDerWaalsContact CG1-SD 3.51Å; V107-I217 HydrophobicContact CG1-CG2 4Å; V107-I217 HydrophobicContact CG2-CG2 3.68Å; V107-V218 PolarHBondContact N-O 2.9Å; V107-Y219 HydrophobicContact CG2-CD2 4.45Å; V107-Y219 WeakPolarHBondContact O-CA 3.46Å; V107-V220 PolarHBondContact O-N 3.01Å; V107-F236 HydrophobicContact CB-CD1 4.11Å; V107-F236 HydrophobicContact CB-CE1 4.13Å; V107-F236 HydrophobicContact CG2-CD1 4.04Å; V107-V242 HydrophobicContact CG2-CG2 4.23Å
108G93.1Very high94.1Very high1 Ų133.2 Ų33.21%0.0120%0.196CC..  trans144.4178.1176.800000113.8K114 R194G108-K114 PolarHBondContact O-NZ 2.87Å; G108-R194 PolarHBondContact O-N 3.33Å
109L90.3Very high94.4Very high30 Ų3028.4 Ų28.416%0.15718%0.176CC..  trans-61158.5-174.7-62.3-177.8000112.9G111 S112 K114 R194 I225 Q232 F236L109-G111 PolarHBondContact O-N 2.84Å; L109-S112 WeakPolarHBondContact O-CB 3.22Å; L109-S112 PolarHBondContact O-N 2.66Å; L109-S112 PolarHBondContact O-OG 3.13Å; L109-S112 VanDerWaalsContact O-OG 3.05Å; L109-K114 PolarHBondContact O-NZ 3.18Å; L109-R194 VanDerWaalsContact CD2-O 3.3Å; L109-R194 WeakPolarHBondContact CD2-O 3.47Å; L109-I225 HydrophobicContact CD1-CD1 3.56Å; L109-Q232 HydrophobicContact CD1-CB 4.47Å; L109-Q232 HydrophobicContact CD1-CG 4.12Å; L109-Q232 HydrophobicContact CD2-CG 4.31Å; L109-F236 HydrophobicContact CD2-CE2 4.11Å
110Q88.3Confident95Very high160 Ų16025.2 Ų25.275%0.74814%0.141SC*.THydrogen-bonded Turntrans-58.7136.4169.1-170.9178.7-0.800110.2S112Q110-S112 PolarHBondContact O-N 3.18Å
111G89Confident95.2Very high51 Ų5120.2 Ų20.253%0.52612%0.119SC..THydrogen-bonded Turntrans74.34179.100000115.8L109 G113 K249L109-G111 PolarHBondContact O-N 2.84Å; G111-G113 PolarHBondContact O-N 3.41Å; G111-K249 PolarHBondContact O-NZ 3.3Å
112S91.1Very high95.4Very high3 Ų317 Ų172%0.02110%0.104CC..SBendtrans-71.1-8.2177.671.80000114.5L109 Q110 V220 T248L109-S112 WeakPolarHBondContact O-CB 3.22Å; L109-S112 PolarHBondContact O-N 2.66Å; L109-S112 PolarHBondContact O-OG 3.13Å; L109-S112 VanDerWaalsContact O-OG 3.05Å; Q110-S112 PolarHBondContact O-N 3.18Å; S112-V220 VanDerWaalsContact CB-O 3.24Å; S112-V220 WeakPolarHBondContact CB-O 3.39Å; S112-V220 WeakPolarHBondContact O-CG1 3.43Å; S112-V220 PolarHBondContact OG-O 3.46Å; S112-T248 PolarHBondContact O-OG1 3.14Å
113G93.6Very high95.4Very high21 Ų2119.6 Ų19.622%0.21612%0.115CC..  trans95.419.817700000115.3G111 T116 T117G111-G113 PolarHBondContact O-N 3.41Å; G113-T116 PolarHBondContact O-N 3.06Å; G113-T117 WeakPolarHBondContact O-CB 3.46Å; G113-T117 PolarHBondContact O-N 3.22Å; G113-T117 PolarHBondContact O-OG1 3.46Å
114K95.6Very high95.3Very high13 Ų1320.6 Ų20.66%0.05712%0.119CC..Hα-helixtrans-48.3-63.4179.6-68.6-173.5-63.8-67.70113.7G108 L109 T116 T117 C118 D190 T191 S192 V220G108-K114 PolarHBondContact O-NZ 2.87Å; L109-K114 PolarHBondContact O-NZ 3.18Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 3.23Å; K114-T117 CarbonylContact O-C 3.59Å; K114-T117 WeakPolarHBondContact O-CA 3.26Å; K114-T117 WeakPolarHBondContact O-CB 3.36Å; K114-T117 PolarHBondContact O-N 3.08Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 2.88Å; K114-D190 WeakPolarHBondContact CB-OD1 3.25Å; K114-T191 WeakPolarHBondContact CE-O 3.21Å; K114-S192 WeakPolarHBondContact CE-O 3.4Å; K114-V220 HydrophobicContact CG-CB 3.96Å; K114-V220 HydrophobicContact CG-CG1 4.5Å; K114-V220 HydrophobicContact CG-CG2 4.16Å
115T96Very high95.2Very high7 Ų721.6 Ų21.64%0.04312%0.122CC..Hα-helixtrans-52.5-44.8-178.3-47.60000113.2C118 S119 R141 Q147 L148 D190T115-C118 PolarHBondContact O-N 3.45Å; T115-S119 PolarHBondContact O-N 3.28Å; T115-S119 PolarHBondContact O-OG 3.39Å; T115-R141 PolarHBondContact OG1-NH2 3.08Å; T115-Q147 HydrophobicContact CG2-CG 4.17Å; T115-L148 HydrophobicContact CG2-CB 3.88Å; T115-L148 HydrophobicContact CG2-CD1 4.43Å; T115-L148 HydrophobicContact CG2-CG 4.49Å; T115-D190 VanDerWaalsContact CA-OD2 3.24Å; T115-D190 WeakPolarHBondContact CA-OD2 3.11Å; T115-D190 WeakPolarHBondContact CB-OD2 3.41Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.32Å; T115-D190 PolarHBondContact N-OD1 2.9Å; T115-D190 PolarHBondContact OG1-OD2 3.13Å
116T96.1Very high95.1Very high46 Ų4624.6 Ų24.628%0.28214%0.137SC..Hα-helixtrans-64.2-42.9176.7-58.40000111.3G113 K114 S119 K120G113-T116 PolarHBondContact O-N 3.06Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 3.23Å; T116-S119 PolarHBondContact O-N 3.46Å; T116-K120 HydrophobicContact CG2-CD 4.21Å; T116-K120 WeakPolarHBondContact O-CG 3.25Å; T116-K120 PolarHBondContact O-N 3.11Å
117T97.7Very high94.8Very high4 Ų432.6 Ų32.63%0.02517%0.167CC..Hα-helixtrans-69.1-35.3-179.7-48.60000112F106 G113 K114 S119 K120 L121 I246 T248 F282F106-T117 HydrophobicContact CE1-CG2 3.67Å; F106-T117 HydrophobicContact CZ-CG2 4.45Å; G113-T117 WeakPolarHBondContact O-CB 3.46Å; G113-T117 PolarHBondContact O-N 3.22Å; G113-T117 PolarHBondContact O-OG1 3.46Å; K114-T117 CarbonylContact O-C 3.59Å; K114-T117 WeakPolarHBondContact O-CA 3.26Å; K114-T117 WeakPolarHBondContact O-CB 3.36Å; K114-T117 PolarHBondContact O-N 3.08Å; T117-S119 VanDerWaalsContact C-N 3.34Å; T117-S119 PolarHBondContact O-N 3.39Å; T117-K120 PolarHBondContact O-N 3.41Å; T117-L121 WeakPolarHBondContact O-CB 2.97Å; T117-L121 PolarHBondContact O-N 3.48Å; T117-I246 HydrophobicContact CG2-CB 4.39Å; T117-I246 HydrophobicContact CG2-CD1 3.74Å; T117-I246 HydrophobicContact CG2-CG2 3.69Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.34Å; T117-F282 HydrophobicContact CG2-CE2 3.77Å; T117-F282 HydrophobicContact CG2-CZ 4.28Å
118C97.9Very high94.6Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-56.9-49.3172.6-65.50000110.6F106 K114 T115 K120 L121 A122 L134 I188 D190F106-C118 WeakPolarHBondContact CD1-SG 3.35Å; F106-C118 WeakPolarHBondContact CG-SG 3.44Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 2.88Å; T115-C118 PolarHBondContact O-N 3.45Å; C118-K120 PolarHBondContact O-N 3.25Å; C118-L121 PolarHBondContact O-N 3.18Å; C118-A122 WeakPolarHBondContact O-CB 3.17Å; C118-A122 PolarHBondContact O-N 3.38Å; C118-L134 HydrophobicContact CB-CD2 3.78Å; C118-I188 HydrophobicContact CB-CG2 3.85Å; C118-D190 HydrophobicContact CB-CB 4.46Å
119S97.5Very high94.7Very high3 Ų341 Ų412%0.02122%0.219CC..Hα-helixtrans-63.8-40.7178-50.90000112.6T115 T116 T117 Y123 N151T115-S119 PolarHBondContact O-N 3.28Å; T115-S119 PolarHBondContact O-OG 3.39Å; T116-S119 PolarHBondContact O-N 3.46Å; T117-S119 VanDerWaalsContact C-N 3.34Å; T117-S119 PolarHBondContact O-N 3.39Å; S119-Y123 VanDerWaalsContact O-CB 3.31Å; S119-Y123 WeakPolarHBondContact O-CB 3.45Å; S119-Y123 PolarHBondContact O-N 3.15Å; S119-N151 WeakPolarHBondContact OG-CB 3.17Å
120K98Very high95Very high6 Ų641.1 Ų41.13%0.02622%0.217CC..Hα-helixtrans-60.9-47175.1-72.7175175-135.20112.2T116 T117 C118 Y123 F124 G276 H278 D281 F282T116-K120 HydrophobicContact CG2-CD 4.21Å; T116-K120 WeakPolarHBondContact O-CG 3.25Å; T116-K120 PolarHBondContact O-N 3.11Å; T117-K120 PolarHBondContact O-N 3.41Å; C118-K120 PolarHBondContact O-N 3.25Å; K120-Y123 PolarHBondContact O-N 3.01Å; K120-F124 WeakPolarHBondContact O-CB 3.44Å; K120-F124 PolarHBondContact O-N 3.17Å; K120-G276 PolarHBondContact NZ-O 3.43Å; K120-H278 WeakPolarHBondContact CE-O 2.99Å; K120-H278 PolarHBondContact NZ-O 3.35Å; K120-D281 PolarHBondContact NZ-O 3.24Å; K120-F282 HydrophobicContact CB-CB 3.87Å; K120-F282 HydrophobicContact CB-CD1 4.16Å; K120-F282 HydrophobicContact CB-CD2 3.92Å; K120-F282 HydrophobicContact CB-CE2 4.47Å; K120-F282 HydrophobicContact CB-CG 3.72Å; K120-F282 HydrophobicContact CD-CB 4.1Å; K120-F282 HydrophobicContact CD-CD2 4.07Å; K120-F282 HydrophobicContact CD-CG 4.35Å; K120-F282 HydrophobicContact CG-CB 4.22Å; K120-F282 HydrophobicContact CG-CG 4.49Å
121L97.6Very high95.4Very high2 Ų238 Ų381%0.0120%0.201CC..Hα-helixtrans-65.9-43.2-179.7-172.666.7000111.4I104 F106 T117 C118 Y123 F124 Y125 I188 F272 F282I104-L121 HydrophobicContact CD1-CD2 4.13Å; F106-L121 HydrophobicContact CE2-CD2 3.69Å; F106-L121 HydrophobicContact CZ-CB 4.19Å; F106-L121 HydrophobicContact CZ-CD2 3.51Å; F106-L121 HydrophobicContact CZ-CG 4.46Å; T117-L121 WeakPolarHBondContact O-CB 2.97Å; T117-L121 PolarHBondContact O-N 3.48Å; C118-L121 PolarHBondContact O-N 3.18Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 3.32Å; L121-F124 PolarHBondContact O-N 3.05Å; L121-Y125 HydrophobicContact CD1-CD2 3.91Å; L121-Y125 HydrophobicContact CD1-CE2 3.43Å; L121-Y125 VanDerWaalsContact CD1-CE2 3.43Å; L121-Y125 HydrophobicContact CD2-CE2 4.19Å; L121-Y125 HydrophobicContact CG-CD2 3.88Å; L121-Y125 HydrophobicContact CG-CE2 3.71Å; L121-Y125 VanDerWaalsContact O-CD2 3.3Å; L121-Y125 WeakPolarHBondContact O-CD2 3.48Å; L121-Y125 PolarHBondContact O-N 3.4Å; L121-Y125 VanDerWaalsContact O-N 3.07Å; L121-I188 HydrophobicContact CB-CD1 3.94Å; L121-I188 HydrophobicContact CD2-CD1 3.99Å; L121-I188 HydrophobicContact CG-CD1 3.98Å; L121-F272 HydrophobicContact CD1-CD2 3.94Å; L121-F272 HydrophobicContact CD1-CE2 3.54Å; L121-F272 HydrophobicContact CD1-CZ 3.92Å; L121-F282 HydrophobicContact CB-CE1 4.17Å; L121-F282 HydrophobicContact CB-CZ 4.28Å; L121-F282 HydrophobicContact CD1-CE1 3.63Å; L121-F282 HydrophobicContact CD1-CZ 3.97Å
122A97.6Very high95.8Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-64.2-39.1176.700000111.9C118 Q126 T132 L134 I157 I188C118-A122 WeakPolarHBondContact O-CB 3.17Å; C118-A122 PolarHBondContact O-N 3.38Å; A122-Q126 VanDerWaalsContact O-CB 3.27Å; A122-Q126 WeakPolarHBondContact O-CB 3.21Å; A122-Q126 PolarHBondContact O-N 3.23Å; A122-T132 WeakPolarHBondContact O-CG2 3.5Å; A122-T132 PolarHBondContact O-OG1 3.05Å; A122-T132 VanDerWaalsContact O-OG1 3.14Å; A122-L134 HydrophobicContact CB-CD2 4.01Å; A122-L134 HydrophobicContact CB-CG 4.17Å; A122-I157 HydrophobicContact CB-CD1 3.62Å; A122-I157 HydrophobicContact CB-CG1 4.49Å; A122-I157 HydrophobicContact CB-CG2 4.17Å; A122-I188 HydrophobicContact CB-CD1 3.66Å
123Y97Very high96.2Very high57 Ų5735.7 Ų35.722%0.22418%0.177CC..Hα-helixtrans-66.9-42.6175.5-178.9-100.3000112.4S119 K120 L121 Y125 Q126 R127 A155 I279 D280S119-Y123 VanDerWaalsContact O-CB 3.31Å; S119-Y123 WeakPolarHBondContact O-CB 3.45Å; S119-Y123 PolarHBondContact O-N 3.15Å; K120-Y123 PolarHBondContact O-N 3.01Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 3.32Å; Y123-Y125 PolarHBondContact O-N 3.12Å; Y123-Q126 WeakPolarHBondContact O-CB 3.38Å; Y123-Q126 PolarHBondContact O-N 2.94Å; Y123-R127 HydrophobicContact CD1-CG 4.46Å; Y123-R127 HydrophobicContact CE1-CG 3.95Å; Y123-R127 HydrophobicContact CE2-CG 4.43Å; Y123-R127 PolarHBondContact O-N 3.06Å; Y123-A155 HydrophobicContact CD2-CB 4.25Å; Y123-I279 HydrophobicContact CD1-CG1 4.19Å; Y123-I279 HydrophobicContact CD1-CG2 4.45Å; Y123-I279 HydrophobicContact CD2-CD1 4.07Å; Y123-I279 HydrophobicContact CE1-CG2 4.5Å; Y123-I279 HydrophobicContact CG-CD1 3.88Å; Y123-I279 HydrophobicContact CG-CG1 3.94Å; Y123-D280 WeakPolarHBondContact CE1-OD1 3.38Å
124F95.9Very high96.4Very high27 Ų2734.7 Ų34.712%0.11817%0.166CC..Hα-helixtrans-56.2-47.9175.1174.2-94.5000111.9K120 L121 R127 K128 F272 F282K120-F124 WeakPolarHBondContact O-CB 3.44Å; K120-F124 PolarHBondContact O-N 3.17Å; L121-F124 PolarHBondContact O-N 3.05Å; F124-R127 PolarHBondContact O-N 3.31Å; F124-K128 HydrophobicContact CD1-CD 4.45Å; F124-K128 HydrophobicContact CE1-CD 3.89Å; F124-K128 HydrophobicContact CZ-CD 4.13Å; F124-K128 PolarHBondContact O-N 2.82Å; F124-F272 AromaticContact CD1-CE1 3.98Å; F124-F272 HydrophobicContact CD1-CE1 3.98Å; F124-F272 AromaticContact CD1-CZ 3.9Å; F124-F272 HydrophobicContact CD1-CZ 3.9Å; F124-F272 HydrophobicContact CD2-CE1 4.33Å; F124-F272 AromaticContact CE1-CE1 3.64Å; F124-F272 HydrophobicContact CE1-CE1 3.64Å; F124-F272 AromaticContact CE1-CZ 3.51Å; F124-F272 HydrophobicContact CE1-CZ 3.51Å; F124-F272 HydrophobicContact CE2-CE1 4.01Å; F124-F272 HydrophobicContact CG-CE1 4.29Å; F124-F272 AromaticContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CE1 3.62Å; F124-F272 AromaticContact CZ-CZ 3.92Å; F124-F272 HydrophobicContact CZ-CZ 3.92Å; F124-F282 HydrophobicContact CB-CD1 4.13Å; F124-F282 HydrophobicContact CB-CE1 4.49Å; F124-F282 HydrophobicContact CG-CD1 4.45Å
125Y96.3Very high96.5Very high22 Ų2234 Ų349%0.08616%0.164CC..Hα-helixtrans-71.9-33.5177.3-75.8-59.5000112.9P96 L121 Y123 R127 K128 G129 W130 I186P96-Y125 HydrophobicContact CG-CE1 3.72Å; L121-Y125 HydrophobicContact CD1-CD2 3.91Å; L121-Y125 HydrophobicContact CD1-CE2 3.43Å; L121-Y125 VanDerWaalsContact CD1-CE2 3.43Å; L121-Y125 HydrophobicContact CD2-CE2 4.19Å; L121-Y125 HydrophobicContact CG-CD2 3.88Å; L121-Y125 HydrophobicContact CG-CE2 3.71Å; L121-Y125 VanDerWaalsContact O-CD2 3.3Å; L121-Y125 WeakPolarHBondContact O-CD2 3.48Å; L121-Y125 PolarHBondContact O-N 3.4Å; L121-Y125 VanDerWaalsContact O-N 3.07Å; Y123-Y125 PolarHBondContact O-N 3.12Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 2.79Å; Y125-K128 CarbonylContact O-C 3.56Å; Y125-K128 WeakPolarHBondContact O-CA 3.48Å; Y125-K128 WeakPolarHBondContact O-CB 3.42Å; Y125-K128 PolarHBondContact O-N 3.43Å; Y125-G129 PolarHBondContact O-N 3.45Å; Y125-W130 HydrophobicContact CD1-CG 4.39Å; Y125-W130 WeakPolarHBondContact O-CB 3.46Å; Y125-W130 VanDerWaalsContact O-CD1 3.23Å; Y125-W130 PolarHBondContact O-N 2.94Å; Y125-I186 HydrophobicContact CD2-CG2 4.19Å; Y125-I186 HydrophobicContact CG-CG1 4.38Å
126Q95.3Very high96.6Very high64 Ų6433.9 Ų33.930%0.29916%0.163SC..Hα-helixtrans-59.9-43.1174.2-177.5-174.6-12.100111.3A122 Y123 K128 G129 A155A122-Q126 VanDerWaalsContact O-CB 3.27Å; A122-Q126 WeakPolarHBondContact O-CB 3.21Å; A122-Q126 PolarHBondContact O-N 3.23Å; Y123-Q126 WeakPolarHBondContact O-CB 3.38Å; Y123-Q126 PolarHBondContact O-N 2.94Å; Q126-K128 PolarHBondContact O-N 3.22Å; Q126-G129 PolarHBondContact O-N 2.64Å; Q126-A155 PolarHBondContact OE1-O 3.45Å
127R92.1Very high96.6Very high168 Ų16831.8 Ų31.863%0.63415%0.15SC*.Hα-helixtrans-62.4-27.2174-74.6-173.562.9-167.2-2.6113.3Y123 F124 Y125 G129Y123-R127 HydrophobicContact CD1-CG 4.46Å; Y123-R127 HydrophobicContact CE1-CG 3.95Å; Y123-R127 HydrophobicContact CE2-CG 4.43Å; Y123-R127 PolarHBondContact O-N 3.06Å; F124-R127 PolarHBondContact O-N 3.31Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 2.79Å; R127-G129 PolarHBondContact O-N 2.88Å
128K91.4Very high96.4Very high120 Ų12032.1 Ų32.152%0.52215%0.152SC..THydrogen-bonded Turntrans-83.88.9172.9-67.3-173.2173.7-167.70113.4F124 Y125 Q126F124-K128 HydrophobicContact CD1-CD 4.45Å; F124-K128 HydrophobicContact CE1-CD 3.89Å; F124-K128 HydrophobicContact CZ-CD 4.13Å; F124-K128 PolarHBondContact O-N 2.82Å; Y125-K128 CarbonylContact O-C 3.56Å; Y125-K128 WeakPolarHBondContact O-CA 3.48Å; Y125-K128 WeakPolarHBondContact O-CB 3.42Å; Y125-K128 PolarHBondContact O-N 3.43Å; Q126-K128 PolarHBondContact O-N 3.22Å
129G93.3Very high96Very high56 Ų5633.4 Ų33.458%0.57716%0.16SC*.THydrogen-bonded Turntrans78.325.2176.800000114.2K98 Y125 Q126 R127K98-G129 PolarHBondContact NZ-O 3.38Å; Y125-G129 PolarHBondContact O-N 3.45Å; Q126-G129 PolarHBondContact O-N 2.64Å; R127-G129 PolarHBondContact O-N 2.88Å
130W97.1Very high95.5Very high33 Ų3339.8 Ų39.813%0.12518%0.184CC..  trans-92.2145.7172.7-62.673000111.3P96 K98 Y125 T132 E185 I186P96-W130 HydrophobicContact CB-CH2 3.71Å; P96-W130 HydrophobicContact CB-CZ2 4.29Å; P96-W130 HydrophobicContact CB-CZ3 3.99Å; P96-W130 HydrophobicContact CG-CH2 3.9Å; P96-W130 HydrophobicContact CG-CZ2 3.97Å; K98-W130 HydrophobicContact CB-CH2 4.08Å; K98-W130 HydrophobicContact CB-CZ3 4.38Å; K98-W130 HydrophobicContact CD-CD2 3.87Å; K98-W130 HydrophobicContact CD-CE3 3.71Å; K98-W130 HydrophobicContact CD-CH2 3.69Å; K98-W130 HydrophobicContact CD-CZ2 3.79Å; K98-W130 HydrophobicContact CD-CZ3 3.63Å; K98-W130 VanDerWaalsContact CE-CD2 3.42Å; K98-W130 HydrophobicContact CG-CE3 4.45Å; K98-W130 HydrophobicContact CG-CH2 3.49Å; K98-W130 VanDerWaalsContact CG-CH2 3.49Å; K98-W130 HydrophobicContact CG-CZ2 3.61Å; K98-W130 HydrophobicContact CG-CZ3 3.93Å; Y125-W130 HydrophobicContact CD1-CG 4.39Å; Y125-W130 WeakPolarHBondContact O-CB 3.46Å; Y125-W130 VanDerWaalsContact O-CD1 3.23Å; Y125-W130 PolarHBondContact O-N 2.94Å; W130-T132 HydrophobicContact CB-CG2 4.08Å; W130-T132 PolarHBondContact O-N 3.43Å; W130-E185 HydrophobicContact CE3-CB 3.81Å; W130-E185 HydrophobicContact CZ3-CB 4.32Å; W130-I186 HydrophobicContact CB-CG1 3.93Å; W130-I186 HydrophobicContact CD2-CD1 4.15Å; W130-I186 HydrophobicContact CD2-CG1 4.03Å; W130-I186 HydrophobicContact CE3-CD1 3.59Å; W130-I186 HydrophobicContact CE3-CG1 3.67Å; W130-I186 HydrophobicContact CG-CG1 4.19Å; W130-I186 HydrophobicContact CZ3-CD1 3.88Å; W130-I186 HydrophobicContact CZ3-CG1 4.44Å
131K97.1Very high95.1Very high95 Ų9544 Ų4441%0.41320%0.2SC..  trans-83102.2171.2-157.2-175.8179.2-176.90109E182 F184 E185 I186K131-E182 PolarHBondContact NZ-O 3.16Å; K131-F184 HydrophobicContact CB-CD1 4.3Å; K131-F184 HydrophobicContact CD-CD1 4.12Å; K131-F184 HydrophobicContact CD-CD2 4.28Å; K131-F184 HydrophobicContact CD-CE1 4.21Å; K131-F184 HydrophobicContact CD-CE2 4.37Å; K131-F184 HydrophobicContact CD-CG 4.16Å; K131-F184 HydrophobicContact CD-CZ 4.34Å; K131-F184 HydrophobicContact CG-CD1 3.62Å; K131-F184 HydrophobicContact CG-CE1 3.71Å; K131-F184 HydrophobicContact CG-CG 4.13Å; K131-F184 HydrophobicContact CG-CZ 4.3Å; K131-E185 PolarHBondContact N-OE2 3.31Å; K131-E185 PolarHBondContact O-N 3.21Å; K131-I186 PolarHBondContact O-N 3.33Å; K131-I186 VanDerWaalsContact O-N 3.09Å
132T98.1Very high94.6Very high5 Ų548.9 Ų48.93%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-107.3147-173.260.40000112A122 W130 F184 I186A122-T132 WeakPolarHBondContact O-CG2 3.5Å; A122-T132 PolarHBondContact O-OG1 3.05Å; A122-T132 VanDerWaalsContact O-OG1 3.14Å; W130-T132 HydrophobicContact CB-CG2 4.08Å; W130-T132 PolarHBondContact O-N 3.43Å; T132-F184 WeakPolarHBondContact O-CD1 3.5Å; T132-F184 WeakPolarHBondContact O-CE1 3.3Å; T132-I186 CarbonylContact C-O 3.57Å; T132-I186 WeakPolarHBondContact CA-O 3.13Å; T132-I186 HydrophobicContact CG2-CB 3.66Å; T132-I186 HydrophobicContact CG2-CG1 4.04Å; T132-I186 HydrophobicContact CG2-CG2 4.03Å
133C98.2Very high94.3Very high0 Ų050.8 Ų50.80%026%0.26CS..EExtended strand (participates in β ladder)trans-141.5159173.759.50000111.4P158 F179 F184 I186 I188C133-P158 WeakPolarHBondContact CA-O 3.31Å; C133-F179 HydrophobicContact CB-CD1 3.75Å; C133-F179 HydrophobicContact CB-CD2 3.72Å; C133-F179 HydrophobicContact CB-CE1 3.73Å; C133-F179 HydrophobicContact CB-CE2 3.67Å; C133-F179 HydrophobicContact CB-CG 3.76Å; C133-F179 HydrophobicContact CB-CZ 3.68Å; C133-F179 VanDerWaalsContact SG-CB 3.58Å; C133-F179 WeakPolarHBondContact SG-CD2 3.29Å; C133-F179 WeakPolarHBondContact SG-CG 3.48Å; C133-F184 HydrophobicContact CB-CD1 3.56Å; C133-F184 HydrophobicContact CB-CE1 3.82Å; C133-F184 HydrophobicContact CB-CG 4.1Å; C133-I186 PolarHBondContact N-O 3.45Å; C133-I188 PolarHBondContact O-N 2.98Å
134L98.6Very high94.1Very high0 Ų048.1 Ų48.10%025%0.249CC..EExtended strand (participates in β ladder)trans-118.8137.8-179.9-68162.1000110.6C118 A122 L148 A152 I157 P158 F159 Y160 I188C118-L134 HydrophobicContact CB-CD2 3.78Å; A122-L134 HydrophobicContact CB-CD2 4.01Å; A122-L134 HydrophobicContact CB-CG 4.17Å; L134-L148 HydrophobicContact CB-CD1 4.41Å; L134-L148 HydrophobicContact CB-CD2 3.9Å; L134-L148 HydrophobicContact CB-CG 4.42Å; L134-A152 HydrophobicContact CD1-CB 3.72Å; L134-I157 HydrophobicContact CD1-CB 4.2Å; L134-I157 HydrophobicContact CD1-CD1 4.34Å; L134-I157 HydrophobicContact CD1-CG2 3.85Å; L134-I157 HydrophobicContact CG-CG2 3.93Å; L134-P158 PolarHBondContact N-O 2.85Å; L134-F159 HydrophobicContact CB-CB 4.36Å; L134-F159 CarbonylContact O-C 3.53Å; L134-F159 WeakPolarHBondContact O-CA 3.37Å; L134-Y160 PolarHBondContact O-N 2.98Å; L134-I188 CarbonylContact C-O 3.54Å; L134-I188 HydrophobicContact CD2-CB 4.04Å; L134-I188 HydrophobicContact CD2-CG2 4.24Å
135I98.4Very high94Very high0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-121.2125.5174.1-63.2167.2000107.6Y160 V176 F179 I187 I188 V189 D190I135-Y160 CarbonylContact C-O 3.58Å; I135-Y160 WeakPolarHBondContact CA-O 3.29Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; I135-V176 HydrophobicContact CD1-CB 4.45Å; I135-V176 HydrophobicContact CD1-CG2 3.74Å; I135-F179 HydrophobicContact CD1-CD2 4.1Å; I135-F179 HydrophobicContact CG1-CD2 3.94Å; I135-F179 HydrophobicContact CG1-CE2 3.85Å; I135-I187 HydrophobicContact CD1-CG2 3.45Å; I135-I187 VanDerWaalsContact CD1-CG2 3.45Å; I135-I187 HydrophobicContact CG1-CG2 4.37Å; I135-I188 PolarHBondContact N-O 2.93Å; I135-V189 HydrophobicContact CB-CG2 4.26Å; I135-V189 HydrophobicContact CD1-CG2 4Å; I135-V189 HydrophobicContact CG2-CG1 4.47Å; I135-D190 PolarHBondContact O-N 2.97Å
136C97.6Very high94.1Very high4 Ų449.7 Ų49.73%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-95104.5172.8-164.20000110.1F145 L148 Y160 I171C136-F145 HydrophobicContact CB-CD2 3.68Å; C136-F145 HydrophobicContact CB-CE2 4.43Å; C136-L148 HydrophobicContact CB-CB 4.29Å; C136-L148 HydrophobicContact CB-CD1 3.83Å; C136-L148 HydrophobicContact CB-CD2 4.17Å; C136-L148 HydrophobicContact CB-CG 4.31Å; C136-Y160 PolarHBondContact N-O 2.68Å; C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.39Å
137A95.9Very high94.1Very high1 Ų149.7 Ų49.71%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-106.223.7172.100000111.7T139 P168 A172 V189 D190A137-T139 PolarHBondContact O-N 3.42Å; A137-P168 HydrophobicContact CB-CB 4.19Å; A137-P168 WeakPolarHBondContact O-CB 3.34Å; A137-A172 HydrophobicContact CB-CB 4.27Å; A137-V189 HydrophobicContact CB-CG1 4.07Å; A137-D190 CarbonylContact C-O 3.48Å; A137-D190 WeakPolarHBondContact CA-O 3.22Å; A137-D190 WeakPolarHBondContact CB-O 3.17Å; A137-D190 PolarHBondContact N-O 3.21Å
138D93.9Very high94.3Very high12 Ų1241.7 Ų41.76%0.06423%0.229CC..  trans-91.788.2170.3-175.92.1000109.1Y140 R141 A144 S192D138-Y140 PolarHBondContact OD1-N 2.97Å; D138-R141 PolarHBondContact OD1-N 3.26Å; D138-R141 IonicContact OD2-CZ 2.86Å; D138-R141 IonicContact OD2-NE 2.71Å; D138-R141 PolarHBondContact OD2-NE 2.97Å; D138-R141 IonicContact OD2-NH2 2.99Å; D138-R141 PolarHBondContact OD2-NH2 2.68Å; D138-A144 HydrophobicContact CB-CB 3.83Å; D138-A144 VanDerWaalsContact OD2-CB 3.32Å; D138-A144 WeakPolarHBondContact OD2-CB 3.35Å; D138-S192 VanDerWaalsContact OD1-CB 3.26Å; D138-S192 WeakPolarHBondContact OD1-CB 3.44Å
139T90.1Very high94.6Very high27 Ų2739.5 Ų39.517%0.16622%0.22CC..  trans-87.5-9.3179.355.10000113.3A137 M166 P168 I171A137-T139 PolarHBondContact O-N 3.42Å; T139-M166 WeakPolarHBondContact CB-O 2.78Å; T139-M166 WeakPolarHBondContact CG2-O 3.25Å; T139-M166 PolarHBondContact OG1-O 3.3Å; T139-P168 HydrophobicContact CG2-CB 4.44Å; T139-I171 HydrophobicContact CG2-CD1 3.32Å
140Y86.3Confident94.7Very high136 Ų13642.2 Ų42.253%0.53322%0.218SC..SBendtrans-89.1-40.5-174.5-75.9-88.5000113D138 L201 E204D138-Y140 PolarHBondContact OD1-N 2.97Å; Y140-L201 HydrophobicContact CE1-CD2 4.03Å; Y140-L201 HydrophobicContact CE2-CD2 3.87Å; Y140-L201 WeakPolarHBondContact OH-CD2 3.34Å; Y140-E204 WeakPolarHBondContact CE2-OE2 3.23Å; Y140-E204 PolarHBondContact OH-OE1 3.46Å
141R89.3Confident94.7Very high96 Ų9642.2 Ų42.236%0.36222%0.22SC..SBendtrans-87.2122.6-174.1176.6174.860.3134.17.4111T115 D138 G143 A144 Q147T115-R141 PolarHBondContact OG1-NH2 3.08Å; D138-R141 PolarHBondContact OD1-N 3.26Å; D138-R141 IonicContact OD2-CZ 2.86Å; D138-R141 IonicContact OD2-NE 2.71Å; D138-R141 PolarHBondContact OD2-NE 2.97Å; D138-R141 IonicContact OD2-NH2 2.99Å; D138-R141 PolarHBondContact OD2-NH2 2.68Å; R141-G143 PolarHBondContact O-N 3.49Å; R141-A144 HydrophobicContact CB-CB 4.02Å; R141-A144 HydrophobicContact CG-CB 4.29Å; R141-A144 VanDerWaalsContact O-CB 3.22Å; R141-A144 WeakPolarHBondContact O-CB 3.49Å; R141-A144 PolarHBondContact O-N 3.28Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.29Å
142A87.7Confident94.6Very high104 Ų10437.7 Ų37.786%0.8620%0.2SC*.THydrogen-bonded Turntrans-55128.3173.900000111.4A144A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 3.25Å
143G90.2Very high94.5Very high39 Ų3941.6 Ų41.640%0.40222%0.224SC..THydrogen-bonded Turntrans72.29.9-179.900000115.3R141 D146 Q147R141-G143 PolarHBondContact O-N 3.49Å; G143-D146 PolarHBondContact O-N 2.7Å; G143-Q147 WeakPolarHBondContact O-CB 3.46Å; G143-Q147 PolarHBondContact O-N 3.16Å
144A92.9Very high94.3Very high1 Ų149.1 Ų49.11%0.00826%0.257CS..Hα-helixtrans-61.2-44.3176.600000112.2D138 R141 A142 Q147 L148D138-A144 HydrophobicContact CB-CB 3.83Å; D138-A144 VanDerWaalsContact OD2-CB 3.32Å; D138-A144 WeakPolarHBondContact OD2-CB 3.35Å; R141-A144 HydrophobicContact CB-CB 4.02Å; R141-A144 HydrophobicContact CG-CB 4.29Å; R141-A144 VanDerWaalsContact O-CB 3.22Å; R141-A144 WeakPolarHBondContact O-CB 3.49Å; R141-A144 PolarHBondContact O-N 3.28Å; A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 3.25Å; A144-Q147 WeakPolarHBondContact O-CB 3.41Å; A144-Q147 PolarHBondContact O-N 3.42Å; A144-L148 PolarHBondContact O-N 3Å
145F95.2Very high94Very high23 Ų2349.4 Ų49.410%0.10126%0.259CS..Hα-helixtrans-62.7-42.9175.4-178.1-135.5000112.3C136 Q147 L148 K149 F159 G161 Y163C136-F145 HydrophobicContact CB-CD2 3.68Å; C136-F145 HydrophobicContact CB-CE2 4.43Å; F145-Q147 VanDerWaalsContact C-N 3.32Å; F145-Q147 PolarHBondContact O-N 2.79Å; F145-L148 PolarHBondContact O-N 2.85Å; F145-K149 WeakPolarHBondContact O-CB 3.23Å; F145-K149 PolarHBondContact O-N 3.42Å; F145-F159 AromaticContact CE2-CD2 3.91Å; F145-F159 HydrophobicContact CE2-CD2 3.91Å; F145-F159 HydrophobicContact CE2-CE2 4.33Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.11Å; F145-G161 VanDerWaalsContact CE2-CA 3.4Å; F145-Y163 AromaticContact CD1-CD1 3.92Å; F145-Y163 HydrophobicContact CD1-CD1 3.92Å; F145-Y163 AromaticContact CD1-CD2 4Å; F145-Y163 HydrophobicContact CD1-CD2 4Å; F145-Y163 AromaticContact CD1-CE1 3.59Å; F145-Y163 HydrophobicContact CD1-CE1 3.59Å; F145-Y163 AromaticContact CD1-CE2 3.67Å; F145-Y163 HydrophobicContact CD1-CE2 3.67Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.44Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.44Å; F145-Y163 AromaticContact CE1-CD2 3.83Å; F145-Y163 HydrophobicContact CE1-CD2 3.83Å; F145-Y163 HydrophobicContact CE1-CE1 4.2Å; F145-Y163 AromaticContact CE1-CE2 3.39Å; F145-Y163 HydrophobicContact CE1-CE2 3.39Å; F145-Y163 HydrophobicContact CE1-CG 4.4Å; F145-Y163 AromaticContact CE1-CZ 3.59Å
146D96.4Very high93.9Very high60 Ų6059.7 Ų59.732%0.32130%0.298SS..Hα-helixtrans-64.1-37.4176.5-65.7-57.5000112.3G143 K149 Q150 Y163G143-D146 PolarHBondContact O-N 2.7Å; D146-K149 PolarHBondContact O-N 3.43Å; D146-Q150 WeakPolarHBondContact O-CB 3.44Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.45Å; D146-Q150 PolarHBondContact O-N 3.25Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.32Å; D146-Y163 PolarHBondContact OD1-OH 3.31Å
147Q95.4Very high93.9Very high63 Ų6359.8 Ų59.829%0.29430%0.298SS..Hα-helixtrans-61.5-50.3174.1-175.2-177.617.100111.1T115 R141 G143 A144 F145 K149 Q150 N151T115-Q147 HydrophobicContact CG2-CG 4.17Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.29Å; G143-Q147 WeakPolarHBondContact O-CB 3.46Å; G143-Q147 PolarHBondContact O-N 3.16Å; A144-Q147 WeakPolarHBondContact O-CB 3.41Å; A144-Q147 PolarHBondContact O-N 3.42Å; F145-Q147 VanDerWaalsContact C-N 3.32Å; F145-Q147 PolarHBondContact O-N 2.79Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3Å; Q147-Q150 PolarHBondContact O-N 3.48Å; Q147-N151 PolarHBondContact O-N 2.99Å; Q147-N151 VanDerWaalsContact O-N 3.08Å
148L97Very high94Very high0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-62-44.2178.5-175.8143.9000110.9T115 L134 C136 A144 F145 Q150 N151 A152 F159 D190T115-L148 HydrophobicContact CG2-CB 3.88Å; T115-L148 HydrophobicContact CG2-CD1 4.43Å; T115-L148 HydrophobicContact CG2-CG 4.49Å; L134-L148 HydrophobicContact CB-CD1 4.41Å; L134-L148 HydrophobicContact CB-CD2 3.9Å; L134-L148 HydrophobicContact CB-CG 4.42Å; C136-L148 HydrophobicContact CB-CB 4.29Å; C136-L148 HydrophobicContact CB-CD1 3.83Å; C136-L148 HydrophobicContact CB-CD2 4.17Å; C136-L148 HydrophobicContact CB-CG 4.31Å; A144-L148 PolarHBondContact O-N 3Å; F145-L148 PolarHBondContact O-N 2.85Å; L148-Q150 PolarHBondContact O-N 2.91Å; L148-N151 PolarHBondContact O-N 3.03Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 2.86Å; L148-F159 HydrophobicContact CD2-CB 3.83Å; L148-D190 HydrophobicContact CD1-CB 3.69Å
149K97.2Very high94.2Very high75 Ų7565 Ų6533%0.32633%0.326SS..Hα-helixtrans-58.2-45.1176.6172.6171.8-178.7-174.50112.5F145 D146 Q147 A152 T153 F159 Y163F145-K149 WeakPolarHBondContact O-CB 3.23Å; F145-K149 PolarHBondContact O-N 3.42Å; D146-K149 PolarHBondContact O-N 3.43Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3Å; K149-A152 PolarHBondContact O-N 3.28Å; K149-T153 VanDerWaalsContact O-CB 3.31Å; K149-T153 WeakPolarHBondContact O-CB 3.48Å; K149-T153 PolarHBondContact O-N 3.33Å; K149-T153 PolarHBondContact O-OG1 2.83Å; K149-F159 HydrophobicContact CB-CD2 4.24Å; K149-F159 HydrophobicContact CB-CE2 4.04Å; K149-F159 HydrophobicContact CB-CZ 4.32Å; K149-F159 HydrophobicContact CD-CE2 3.82Å; K149-F159 HydrophobicContact CD-CZ 3.93Å; K149-F159 HydrophobicContact CG-CD2 4.32Å; K149-F159 HydrophobicContact CG-CE1 4.1Å; K149-F159 HydrophobicContact CG-CE2 3.64Å; K149-F159 HydrophobicContact CG-CZ 3.54Å; K149-Y163 PolarHBondContact NZ-OH 2.87Å
150Q96.7Very high94.6Very high113 Ų11365.6 Ų65.653%0.52833%0.325SS..Hα-helixtrans-63.8-43.8177.2-74.717542.400111.7D146 Q147 L148 T153 K154D146-Q150 WeakPolarHBondContact O-CB 3.44Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.45Å; D146-Q150 PolarHBondContact O-N 3.25Å; Q147-Q150 PolarHBondContact O-N 3.48Å; L148-Q150 PolarHBondContact O-N 2.91Å; Q150-T153 PolarHBondContact O-N 3.45Å; Q150-K154 VanDerWaalsContact O-CG 3.28Å; Q150-K154 WeakPolarHBondContact O-CG 3.45Å; Q150-K154 PolarHBondContact O-N 3.17Å
151N95.7Very high95Very high33 Ų3360 Ų6018%0.17631%0.309CS..Hα-helixtrans-65.6-45.4177.8-69.3-12.9000111.7S119 Q147 L148 T153 K154 A155S119-N151 WeakPolarHBondContact OG-CB 3.17Å; Q147-N151 PolarHBondContact O-N 2.99Å; Q147-N151 VanDerWaalsContact O-N 3.08Å; L148-N151 PolarHBondContact O-N 3.03Å; N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 3.38Å; N151-K154 PolarHBondContact O-N 3.5Å; N151-A155 WeakPolarHBondContact O-CB 3.26Å; N151-A155 PolarHBondContact O-N 2.99Å
152A96.6Very high95.1Very high0 Ų057 Ų570%030%0.303CS..Hα-helixtrans-60-42.3176.800000111.6L134 L148 K149 A155 R156 I157 F159L134-A152 HydrophobicContact CD1-CB 3.72Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 2.86Å; K149-A152 PolarHBondContact O-N 3.28Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 2.86Å; A152-R156 PolarHBondContact O-N 3.48Å; A152-I157 WeakPolarHBondContact CB-O 3.25Å; A152-I157 PolarHBondContact O-N 3.05Å; A152-F159 HydrophobicContact CB-CB 3.8Å; A152-F159 HydrophobicContact CB-CD1 3.69Å; A152-F159 HydrophobicContact CB-CG 4.04Å
153T96.1Very high95.2Very high87 Ų8758.4 Ų58.453%0.53429%0.287SS..Hα-helixtrans-63-46176.4-580000111.6K149 Q150 N151 A155 R156K149-T153 VanDerWaalsContact O-CB 3.31Å; K149-T153 WeakPolarHBondContact O-CB 3.48Å; K149-T153 PolarHBondContact O-N 3.33Å; K149-T153 PolarHBondContact O-OG1 2.83Å; Q150-T153 PolarHBondContact O-N 3.45Å; N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 3.38Å; T153-A155 PolarHBondContact O-N 3.4Å; T153-R156 PolarHBondContact O-N 2.97Å; T153-R156 VanDerWaalsContact O-N 3.15Å
154K92.5Very high95.2Very high158 Ų15862.7 Ų62.769%0.68731%0.306SS*.Hα-helixtrans-58.2-38.7176.1-72.2168.9-174.1172.90111.8Q150 N151Q150-K154 VanDerWaalsContact O-CG 3.28Å; Q150-K154 WeakPolarHBondContact O-CG 3.45Å; Q150-K154 PolarHBondContact O-N 3.17Å; N151-K154 PolarHBondContact O-N 3.5Å
155A93.3Very high95.2Very high6 Ų665.8 Ų65.85%0.0532%0.32CS..Hα-helixtrans-83.2-11.4-179.200000114.4Y123 Q126 N151 A152 T153 I157 I279Y123-A155 HydrophobicContact CD2-CB 4.25Å; Q126-A155 PolarHBondContact OE1-O 3.45Å; N151-A155 WeakPolarHBondContact O-CB 3.26Å; N151-A155 PolarHBondContact O-N 2.99Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 2.86Å; T153-A155 PolarHBondContact O-N 3.4Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 HydrophobicContact CB-CB 4.4Å; A155-I157 HydrophobicContact CB-CD1 3.31Å; A155-I157 HydrophobicContact CB-CG1 3.66Å; A155-I279 HydrophobicContact CB-CD1 3.27Å
156R95.9Very high95Very high216 Ų21671 Ų7182%0.81535%0.346SS*.THydrogen-bonded Turntrans58.341.4-169.6-50.5-177.8-178.9-157.9-0.2113.1A152 T153A152-R156 PolarHBondContact O-N 3.48Å; T153-R156 PolarHBondContact O-N 2.97Å; T153-R156 VanDerWaalsContact O-N 3.15Å
157I97.6Very high94.8Very high6 Ų671.1 Ų71.13%0.03135%0.347CS..  trans-104.2129.9177.8-60.1162.1000108.5A122 L134 A152 A155A122-I157 HydrophobicContact CB-CD1 3.62Å; A122-I157 HydrophobicContact CB-CG1 4.49Å; A122-I157 HydrophobicContact CB-CG2 4.17Å; L134-I157 HydrophobicContact CD1-CB 4.2Å; L134-I157 HydrophobicContact CD1-CD1 4.34Å; L134-I157 HydrophobicContact CD1-CG2 3.85Å; L134-I157 HydrophobicContact CG-CG2 3.93Å; A152-I157 WeakPolarHBondContact CB-O 3.25Å; A152-I157 PolarHBondContact O-N 3.05Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 HydrophobicContact CB-CB 4.4Å; A155-I157 HydrophobicContact CB-CD1 3.31Å; A155-I157 HydrophobicContact CB-CG1 3.66Å
158P98.1Very high94.7Very high56 Ų5668.1 Ų68.136%0.36433%0.333SS..  trans-58.4138.9171.2-28.539.3000112C133 L134 F179 F184C133-P158 WeakPolarHBondContact CA-O 3.31Å; L134-P158 PolarHBondContact N-O 2.85Å; P158-F179 HydrophobicContact CB-CE1 4.09Å; P158-F179 HydrophobicContact CB-CZ 4.43Å; P158-F184 HydrophobicContact CB-CE1 4.03Å; P158-F184 HydrophobicContact CB-CZ 3.88Å; P158-F184 HydrophobicContact CG-CE1 3.75Å; P158-F184 HydrophobicContact CG-CZ 3.69Å
159F97.9Very high94.7Very high65 Ų6569.4 Ų69.429%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-131.5153.7-178.562.7-89000111.9L134 F145 L148 K149 A152L134-F159 HydrophobicContact CB-CB 4.36Å; L134-F159 CarbonylContact O-C 3.53Å; L134-F159 WeakPolarHBondContact O-CA 3.37Å; F145-F159 AromaticContact CE2-CD2 3.91Å; F145-F159 HydrophobicContact CE2-CD2 3.91Å; F145-F159 HydrophobicContact CE2-CE2 4.33Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.11Å; L148-F159 HydrophobicContact CD2-CB 3.83Å; K149-F159 HydrophobicContact CB-CD2 4.24Å; K149-F159 HydrophobicContact CB-CE2 4.04Å; K149-F159 HydrophobicContact CB-CZ 4.32Å; K149-F159 HydrophobicContact CD-CE2 3.82Å; K149-F159 HydrophobicContact CD-CZ 3.93Å; K149-F159 HydrophobicContact CG-CD2 4.32Å; K149-F159 HydrophobicContact CG-CE1 4.1Å; K149-F159 HydrophobicContact CG-CE2 3.64Å; K149-F159 HydrophobicContact CG-CZ 3.54Å; A152-F159 HydrophobicContact CB-CB 3.8Å; A152-F159 HydrophobicContact CB-CD1 3.69Å; A152-F159 HydrophobicContact CB-CG 4.04Å
160Y98Very high94.7Very high40 Ų4068.8 Ų68.816%0.15734%0.34CS..EExtended strand (participates in β ladder)trans-134148.9173.7-179.7-86.3000109.9L134 I135 C136 I171 E174 K178 F179L134-Y160 PolarHBondContact O-N 2.98Å; I135-Y160 CarbonylContact C-O 3.58Å; I135-Y160 WeakPolarHBondContact CA-O 3.29Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; C136-Y160 PolarHBondContact N-O 2.68Å; Y160-I171 HydrophobicContact CD1-CG2 4.23Å; Y160-I171 HydrophobicContact CE1-CG2 3.86Å; Y160-I171 VanDerWaalsContact CE1-O 3.25Å; Y160-I171 WeakPolarHBondContact CE1-O 3.44Å; Y160-E174 HydrophobicContact CE1-CB 4.45Å; Y160-E174 WeakPolarHBondContact OH-CB 3.3Å; Y160-E174 PolarHBondContact OH-OE2 3.01Å; Y160-K178 HydrophobicContact CD2-CD 3.76Å; Y160-K178 HydrophobicContact CE2-CD 4.17Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å
161G94.6Very high94.7Very high18 Ų1863.5 Ų63.519%0.18632%0.315CS..  trans169.9172.4177.300000109.7F145F145-G161 VanDerWaalsContact CE2-CA 3.4Å
162S91.6Very high94.7Very high34 Ų3461.9 Ų61.924%0.23831%0.307CS..  trans-129.8144.7-176-170.20000111.2T164 E165S162-T164 PolarHBondContact OG-N 3.48Å; S162-T164 PolarHBondContact OG-OG1 2.93Å; S162-E165 WeakPolarHBondContact OG-CB 3.2Å; S162-E165 PolarHBondContact OG-N 2.85Å
163Y89.6Confident94.8Very high134 Ų13464 Ų6453%0.52532%0.321SS..SBendtrans-92.1-17.3169.9-67.8-77.5000112.3F145 D146 K149F145-Y163 AromaticContact CD1-CD1 3.92Å; F145-Y163 HydrophobicContact CD1-CD1 3.92Å; F145-Y163 AromaticContact CD1-CD2 4Å; F145-Y163 HydrophobicContact CD1-CD2 4Å; F145-Y163 AromaticContact CD1-CE1 3.59Å; F145-Y163 HydrophobicContact CD1-CE1 3.59Å; F145-Y163 AromaticContact CD1-CE2 3.67Å; F145-Y163 HydrophobicContact CD1-CE2 3.67Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.44Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.44Å; F145-Y163 AromaticContact CE1-CD2 3.83Å; F145-Y163 HydrophobicContact CE1-CD2 3.83Å; F145-Y163 HydrophobicContact CE1-CE1 4.2Å; F145-Y163 AromaticContact CE1-CE2 3.39Å; F145-Y163 HydrophobicContact CE1-CE2 3.39Å; F145-Y163 HydrophobicContact CE1-CG 4.4Å; F145-Y163 AromaticContact CE1-CZ 3.59Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.32Å; D146-Y163 PolarHBondContact OD1-OH 3.31Å; K149-Y163 PolarHBondContact NZ-OH 2.87Å
164T91.1Very high94.8Very high129 Ų12964.9 Ų64.979%0.79132%0.32SS*.SBendtrans-113.7-29.6-170.751.10000113S162S162-T164 PolarHBondContact OG-N 3.48Å; S162-T164 PolarHBondContact OG-OG1 2.93Å
165E92.7Very high95.1Very high66 Ų6657.4 Ų57.431%0.30829%0.287SS..  trans-78.7132177.6-174.452-100.600109.4S162 D167 I170 I171S162-E165 WeakPolarHBondContact OG-CB 3.2Å; S162-E165 PolarHBondContact OG-N 2.85Å; E165-D167 PolarHBondContact OE1-N 2.96Å; E165-I170 HydrophobicContact CG-CB 4.18Å; E165-I170 HydrophobicContact CG-CG2 4.14Å; E165-I171 HydrophobicContact CB-CD1 3.98Å; E165-I171 HydrophobicContact CB-CG1 3.82Å; E165-I171 HydrophobicContact CG-CD1 4.03Å; E165-I171 HydrophobicContact CG-CG1 3.58Å
166M90.3Very high95.2Very high132 Ų13257.3 Ų57.365%0.6529%0.286SS*.  trans-103.9-21.8-177.1-64.5-62.2-62.700111.6T139 P168T139-M166 WeakPolarHBondContact CB-O 2.78Å; T139-M166 WeakPolarHBondContact CG2-O 3.25Å; T139-M166 PolarHBondContact OG1-O 3.3Å; M166-P168 WeakPolarHBondContact O-CD 3.3Å
167D92.8Very high95.3Very high62 Ų6251.7 Ų51.733%0.33227%0.269SS..  trans-82.9112.2179.1-172.1-15.1000111.2E165 V169 I170 I171E165-D167 PolarHBondContact OE1-N 2.96Å; D167-V169 PolarHBondContact O-N 3.31Å; D167-V169 VanDerWaalsContact OD1-CB 3.23Å; D167-V169 WeakPolarHBondContact OD1-CB 3.42Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.48Å; D167-V169 PolarHBondContact OD1-N 3.38Å; D167-I170 HydrophobicContact CB-CB 4.31Å; D167-I170 HydrophobicContact CB-CD1 3.89Å; D167-I170 HydrophobicContact CB-CG1 3.97Å; D167-I170 PolarHBondContact O-N 3.22Å; D167-I171 WeakPolarHBondContact O-CG1 2.99Å; D167-I171 PolarHBondContact O-N 3.2Å
168P94.3Very high95.3Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-66.9-21.9179.229-34.5000113.1A137 T139 M166 A172 E204 V208A137-P168 HydrophobicContact CB-CB 4.19Å; A137-P168 WeakPolarHBondContact O-CB 3.34Å; T139-P168 HydrophobicContact CG2-CB 4.44Å; M166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-A172 WeakPolarHBondContact O-CB 3.42Å; P168-A172 PolarHBondContact O-N 3.08Å; P168-E204 WeakPolarHBondContact CD-OE1 3.46Å; P168-E204 HydrophobicContact CG-CG 3.73Å; P168-E204 VanDerWaalsContact CG-OE1 3.28Å; P168-E204 WeakPolarHBondContact CG-OE1 3.47Å; P168-V208 HydrophobicContact CB-CG2 4.12Å; P168-V208 HydrophobicContact CG-CG2 4.16Å
169V96Very high95.3Very high27 Ų2753.1 Ų53.116%0.16427%0.269CS..Hα-helixtrans-67.8-44.1177.3-176.20000110.2D167 S173 Q207 V208 A211D167-V169 PolarHBondContact O-N 3.31Å; D167-V169 VanDerWaalsContact OD1-CB 3.23Å; D167-V169 WeakPolarHBondContact OD1-CB 3.42Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.48Å; D167-V169 PolarHBondContact OD1-N 3.38Å; V169-S173 VanDerWaalsContact O-CB 3.27Å; V169-S173 WeakPolarHBondContact O-CB 3.33Å; V169-S173 PolarHBondContact O-N 2.84Å; V169-S173 PolarHBondContact O-OG 3.44Å; V169-Q207 HydrophobicContact CG2-CB 3.96Å; V169-V208 HydrophobicContact CB-CG2 4.48Å; V169-V208 HydrophobicContact CG2-CG2 3.74Å; V169-A211 HydrophobicContact CG1-CB 3.64Å
170I96.8Very high95.1Very high62 Ų6252.9 Ų52.932%0.31827%0.268SS..Hα-helixtrans-63.1-51.5177.3-62.6178.5000109.6E165 D167 A172 S173 E174E165-I170 HydrophobicContact CG-CB 4.18Å; E165-I170 HydrophobicContact CG-CG2 4.14Å; D167-I170 HydrophobicContact CB-CB 4.31Å; D167-I170 HydrophobicContact CB-CD1 3.89Å; D167-I170 HydrophobicContact CB-CG1 3.97Å; D167-I170 PolarHBondContact O-N 3.22Å; I170-A172 VanDerWaalsContact C-N 3.34Å; I170-A172 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-N 3.22Å; I170-E174 HydrophobicContact CG2-CG 4.27Å; I170-E174 WeakPolarHBondContact O-CB 3.31Å; I170-E174 WeakPolarHBondContact O-CG 3.17Å; I170-E174 PolarHBondContact O-N 3.42Å
171I96.4Very high95Very high2 Ų256 Ų561%0.0129%0.288CS..Hα-helixtrans-59.5-45.1-178.8-60.8171.3000111.3C136 T139 Y160 E165 D167 G175C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.39Å; T139-I171 HydrophobicContact CG2-CD1 3.32Å; Y160-I171 HydrophobicContact CD1-CG2 4.23Å; Y160-I171 HydrophobicContact CE1-CG2 3.86Å; Y160-I171 VanDerWaalsContact CE1-O 3.25Å; Y160-I171 WeakPolarHBondContact CE1-O 3.44Å; E165-I171 HydrophobicContact CB-CD1 3.98Å; E165-I171 HydrophobicContact CB-CG1 3.82Å; E165-I171 HydrophobicContact CG-CD1 4.03Å; E165-I171 HydrophobicContact CG-CG1 3.58Å; D167-I171 WeakPolarHBondContact O-CG1 2.99Å; D167-I171 PolarHBondContact O-N 3.2Å; I171-G175 PolarHBondContact O-N 3.02Å
172A97.2Very high95.1Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-66.4-42.8-179.800000111.5A137 P168 I170 V176 V189 V208 I212A137-A172 HydrophobicContact CB-CB 4.27Å; P168-A172 WeakPolarHBondContact O-CB 3.42Å; P168-A172 PolarHBondContact O-N 3.08Å; I170-A172 VanDerWaalsContact C-N 3.34Å; I170-A172 PolarHBondContact O-N 3.21Å; A172-V176 WeakPolarHBondContact O-CB 3.46Å; A172-V176 WeakPolarHBondContact O-CG2 3.41Å; A172-V176 PolarHBondContact O-N 3.31Å; A172-V189 HydrophobicContact CB-CG1 4.25Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; A172-I212 HydrophobicContact CB-CG2 3.66Å
173S97.4Very high95.2Very high43 Ų4363.5 Ų63.530%0.30132%0.318SS..Hα-helixtrans-66.1-49.6-179.4-57.40000112.1V169 I170 V176 E177V169-S173 VanDerWaalsContact O-CB 3.27Å; V169-S173 WeakPolarHBondContact O-CB 3.33Å; V169-S173 PolarHBondContact O-N 2.84Å; V169-S173 PolarHBondContact O-OG 3.44Å; I170-S173 PolarHBondContact O-N 3.22Å; S173-V176 PolarHBondContact O-N 3.12Å; S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 3.23Å
174E97.6Very high95.6Very high107 Ų10757.5 Ų57.550%0.529%0.294SS..Hα-helixtrans-64.9-40.6177.9-70.6-173.8-178.500112.1Y160 I170 E177 K178Y160-E174 HydrophobicContact CE1-CB 4.45Å; Y160-E174 WeakPolarHBondContact OH-CB 3.3Å; Y160-E174 PolarHBondContact OH-OE2 3.01Å; I170-E174 HydrophobicContact CG2-CG 4.27Å; I170-E174 WeakPolarHBondContact O-CB 3.31Å; I170-E174 WeakPolarHBondContact O-CG 3.17Å; I170-E174 PolarHBondContact O-N 3.42Å; E174-E177 PolarHBondContact O-N 3.24Å; E174-K178 VanDerWaalsContact O-CB 3.3Å; E174-K178 WeakPolarHBondContact O-CB 3.37Å; E174-K178 PolarHBondContact O-N 3.19Å
175G97.1Very high95.9Very high0 Ų052.9 Ų52.90%026%0.264CS..Hα-helixtrans-62.8-44.8176.900000112.1I171 F179I171-G175 PolarHBondContact O-N 3.02Å; G175-F179 WeakPolarHBondContact O-CD2 3.46Å; G175-F179 PolarHBondContact O-N 2.83Å; G175-F179 VanDerWaalsContact O-N 3.15Å
176V97.3Very high96.2Very high5 Ų549.8 Ų49.83%0.0325%0.249CC..Hα-helixtrans-61.3-52.4175.3167.10000109.3I103 I135 A172 S173 K178 F179 K180 I187 V189 I212I103-V176 HydrophobicContact CD1-CG1 3.71Å; I103-V176 HydrophobicContact CG1-CG1 4.39Å; I103-V176 HydrophobicContact CG2-CG2 4.35Å; I135-V176 HydrophobicContact CD1-CB 4.45Å; I135-V176 HydrophobicContact CD1-CG2 3.74Å; A172-V176 WeakPolarHBondContact O-CB 3.46Å; A172-V176 WeakPolarHBondContact O-CG2 3.41Å; A172-V176 PolarHBondContact O-N 3.31Å; S173-V176 PolarHBondContact O-N 3.12Å; V176-K178 VanDerWaalsContact C-N 3.34Å; V176-K178 PolarHBondContact O-N 3.43Å; V176-F179 PolarHBondContact O-N 3.16Å; V176-F179 VanDerWaalsContact O-N 3.15Å; V176-K180 HydrophobicContact CG1-CD 3.97Å; V176-K180 HydrophobicContact CG1-CG 4.03Å; V176-K180 WeakPolarHBondContact O-CB 3.48Å; V176-K180 VanDerWaalsContact O-CG 3.23Å; V176-K180 WeakPolarHBondContact O-CG 3.44Å; V176-K180 PolarHBondContact O-N 3.13Å; V176-I187 HydrophobicContact CG2-CG2 4.08Å; V176-V189 HydrophobicContact CG2-CG2 4.29Å; V176-I212 HydrophobicContact CG2-CB 4.16Å; V176-I212 HydrophobicContact CG2-CG2 4.04Å
177E97.5Very high96.5Very high98 Ų9843.5 Ų43.546%0.45822%0.218SC..Hα-helixtrans-58.1-43.9-178.3-173.855.1-147.400112.4S173 E174 F179 K180 N181S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 3.23Å; E174-E177 PolarHBondContact O-N 3.24Å; E177-F179 PolarHBondContact O-N 3.18Å; E177-K180 WeakPolarHBondContact O-CB 3.39Å; E177-K180 PolarHBondContact O-N 3.12Å; E177-N181 PolarHBondContact O-N 3.35Å; E177-N181 PolarHBondContact O-ND2 3.47Å; E177-N181 PolarHBondContact OE1-ND2 3.34Å
178K97.6Very high96.8Very high89 Ų8940.5 Ų40.539%0.38720%0.203SC..Hα-helixtrans-55.8-51.7174.6179.9-177.3177.8179.80111.7Y160 E174 V176 K180 N181 E182Y160-K178 HydrophobicContact CD2-CD 3.76Å; Y160-K178 HydrophobicContact CE2-CD 4.17Å; E174-K178 VanDerWaalsContact O-CB 3.3Å; E174-K178 WeakPolarHBondContact O-CB 3.37Å; E174-K178 PolarHBondContact O-N 3.19Å; V176-K178 VanDerWaalsContact C-N 3.34Å; V176-K178 PolarHBondContact O-N 3.43Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.94Å; K178-N181 PolarHBondContact O-N 2.96Å; K178-E182 WeakPolarHBondContact CE-OE1 3.44Å; K178-E182 WeakPolarHBondContact O-CG 3.41Å; K178-E182 PolarHBondContact O-N 3.19Å
179F97.3Very high97Very high3 Ų340.5 Ų40.51%0.01320%0.203CC..Hα-helixtrans-74.7-24.7-176.8-70.3-51.4000113.3C133 I135 P158 Y160 G175 V176 E177 E182 N183 F184 I187C133-F179 HydrophobicContact CB-CD1 3.75Å; C133-F179 HydrophobicContact CB-CD2 3.72Å; C133-F179 HydrophobicContact CB-CE1 3.73Å; C133-F179 HydrophobicContact CB-CE2 3.67Å; C133-F179 HydrophobicContact CB-CG 3.76Å; C133-F179 HydrophobicContact CB-CZ 3.68Å; C133-F179 VanDerWaalsContact SG-CB 3.58Å; C133-F179 WeakPolarHBondContact SG-CD2 3.29Å; C133-F179 WeakPolarHBondContact SG-CG 3.48Å; I135-F179 HydrophobicContact CD1-CD2 4.1Å; I135-F179 HydrophobicContact CG1-CD2 3.94Å; I135-F179 HydrophobicContact CG1-CE2 3.85Å; P158-F179 HydrophobicContact CB-CE1 4.09Å; P158-F179 HydrophobicContact CB-CZ 4.43Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å; G175-F179 WeakPolarHBondContact O-CD2 3.46Å; G175-F179 PolarHBondContact O-N 2.83Å; G175-F179 VanDerWaalsContact O-N 3.15Å; V176-F179 PolarHBondContact O-N 3.16Å; V176-F179 VanDerWaalsContact O-N 3.15Å; E177-F179 PolarHBondContact O-N 3.18Å; F179-E182 PolarHBondContact O-N 3.25Å; F179-N183 PolarHBondContact O-N 2.62Å; F179-F184 HydrophobicContact CB-CB 4.08Å; F179-F184 HydrophobicContact CB-CD2 4.05Å; F179-F184 HydrophobicContact CB-CG 4.2Å; F179-F184 AromaticContact CD1-CD2 3.6Å; F179-F184 HydrophobicContact CD1-CD2 3.6Å; F179-F184 AromaticContact CD1-CE2 3.62Å; F179-F184 HydrophobicContact CD1-CE2 3.62Å; F179-F184 HydrophobicContact CD1-CG 4.09Å; F179-F184 HydrophobicContact CD1-CZ 4.13Å; F179-F184 HydrophobicContact CE1-CE2 4.15Å; F179-F184 HydrophobicContact CE1-CZ 4.29Å; F179-F184 HydrophobicContact CG-CD2 4.24Å; F179-F184 HydrophobicContact CG-CG 4.45Å; F179-F184 WeakPolarHBondContact O-CB 3.24Å; F179-F184 PolarHBondContact O-N 3.45Å; F179-I187 HydrophobicContact CB-CD1 4.1Å; F179-I187 HydrophobicContact CB-CG1 4.32Å
180K94.4Very high97.1Very high59 Ų5939.2 Ų39.226%0.25720%0.195SC..Hα-helixtrans-60.2-48.2167-74.5-168171.7169.10111Q101 V176 E177 K178 E182 N183 I187Q101-K180 HydrophobicContact CG-CG 4.26Å; Q101-K180 PolarHBondContact NE2-O 2.89Å; Q101-K180 VanDerWaalsContact OE1-CE 3.22Å; V176-K180 HydrophobicContact CG1-CD 3.97Å; V176-K180 HydrophobicContact CG1-CG 4.03Å; V176-K180 WeakPolarHBondContact O-CB 3.48Å; V176-K180 VanDerWaalsContact O-CG 3.23Å; V176-K180 WeakPolarHBondContact O-CG 3.44Å; V176-K180 PolarHBondContact O-N 3.13Å; E177-K180 WeakPolarHBondContact O-CB 3.39Å; E177-K180 PolarHBondContact O-N 3.12Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.94Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 PolarHBondContact O-N 3.45Å; K180-N183 PolarHBondContact O-N 2.97Å; K180-N183 VanDerWaalsContact O-N 3.12Å; K180-I187 HydrophobicContact CG-CD1 4.08Å
181N96.2Very high97Very high107 Ų10736.4 Ų36.457%0.57218%0.18SC*.Hα-helixtrans-67.2-30.1179.2-70-41.1000113.1E177 K178 N183E177-N181 PolarHBondContact O-N 3.35Å; E177-N181 PolarHBondContact O-ND2 3.47Å; E177-N181 PolarHBondContact OE1-ND2 3.34Å; K178-N181 PolarHBondContact O-N 2.96Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.49Å
182E96Very high96.6Very high81 Ų8136.4 Ų36.438%0.37918%0.181SC..THydrogen-bonded Turntrans-85.510.9174-65.1177.7-160.100113.6K131 K178 F179 K180 F184K131-E182 PolarHBondContact NZ-O 3.16Å; K178-E182 WeakPolarHBondContact CE-OE1 3.44Å; K178-E182 WeakPolarHBondContact O-CG 3.41Å; K178-E182 PolarHBondContact O-N 3.19Å; F179-E182 PolarHBondContact O-N 3.25Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 PolarHBondContact O-N 3.45Å; E182-F184 HydrophobicContact CB-CD2 3.69Å; E182-F184 HydrophobicContact CB-CE2 3.6Å; E182-F184 PolarHBondContact O-N 3.04Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.35Å
183N94.8Very high95.9Very high127 Ų12737.4 Ų37.468%0.67919%0.191SC*.THydrogen-bonded Turntrans57.439178.3-54.3104000114.7F179 K180 N181F179-N183 PolarHBondContact O-N 2.62Å; K180-N183 PolarHBondContact O-N 2.97Å; K180-N183 VanDerWaalsContact O-N 3.12Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.49Å
184F97.1Very high95.1Very high8 Ų835.5 Ų35.54%0.03518%0.177CC..  trans-74.4142.8169.4-75.8-101.9000111.1K131 T132 C133 P158 F179 E182 I187K131-F184 HydrophobicContact CB-CD1 4.3Å; K131-F184 HydrophobicContact CD-CD1 4.12Å; K131-F184 HydrophobicContact CD-CD2 4.28Å; K131-F184 HydrophobicContact CD-CE1 4.21Å; K131-F184 HydrophobicContact CD-CE2 4.37Å; K131-F184 HydrophobicContact CD-CG 4.16Å; K131-F184 HydrophobicContact CD-CZ 4.34Å; K131-F184 HydrophobicContact CG-CD1 3.62Å; K131-F184 HydrophobicContact CG-CE1 3.71Å; K131-F184 HydrophobicContact CG-CG 4.13Å; K131-F184 HydrophobicContact CG-CZ 4.3Å; T132-F184 WeakPolarHBondContact O-CD1 3.5Å; T132-F184 WeakPolarHBondContact O-CE1 3.3Å; C133-F184 HydrophobicContact CB-CD1 3.56Å; C133-F184 HydrophobicContact CB-CE1 3.82Å; C133-F184 HydrophobicContact CB-CG 4.1Å; P158-F184 HydrophobicContact CB-CE1 4.03Å; P158-F184 HydrophobicContact CB-CZ 3.88Å; P158-F184 HydrophobicContact CG-CE1 3.75Å; P158-F184 HydrophobicContact CG-CZ 3.69Å; F179-F184 HydrophobicContact CB-CB 4.08Å; F179-F184 HydrophobicContact CB-CD2 4.05Å; F179-F184 HydrophobicContact CB-CG 4.2Å; F179-F184 AromaticContact CD1-CD2 3.6Å; F179-F184 HydrophobicContact CD1-CD2 3.6Å; F179-F184 AromaticContact CD1-CE2 3.62Å; F179-F184 HydrophobicContact CD1-CE2 3.62Å; F179-F184 HydrophobicContact CD1-CG 4.09Å; F179-F184 HydrophobicContact CD1-CZ 4.13Å; F179-F184 HydrophobicContact CE1-CE2 4.15Å; F179-F184 HydrophobicContact CE1-CZ 4.29Å; F179-F184 HydrophobicContact CG-CD2 4.24Å; F179-F184 HydrophobicContact CG-CG 4.45Å; F179-F184 WeakPolarHBondContact O-CB 3.24Å; F179-F184 PolarHBondContact O-N 3.45Å; E182-F184 HydrophobicContact CB-CD2 3.69Å; E182-F184 HydrophobicContact CB-CE2 3.6Å; E182-F184 PolarHBondContact O-N 3.04Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.35Å; F184-I187 HydrophobicContact CB-CG1 4.36Å
185E97Very high94Very high33 Ų3333.7 Ų33.715%0.15417%0.168CC..SBendtrans-97.6-33.8-176.9-60.2-178.9110.200111.8K98 G99 N102 W130 K131K98-E185 VanDerWaalsContact CD-OE1 3.25Å; K98-E185 WeakPolarHBondContact CD-OE1 3.47Å; K98-E185 IonicContact NZ-OE1 3.71Å; K98-E185 IonicContact NZ-OE2 3.21Å; K98-E185 PolarHBondContact NZ-OE2 2.58Å; G99-E185 PolarHBondContact N-OE1 3.37Å; N102-E185 WeakPolarHBondContact CA-O 3.4Å; N102-E185 VanDerWaalsContact CB-O 3.29Å; N102-E185 WeakPolarHBondContact CB-O 3.42Å; N102-E185 PolarHBondContact N-O 3.48Å; N102-E185 PolarHBondContact ND2-O 3.34Å; W130-E185 HydrophobicContact CE3-CB 3.81Å; W130-E185 HydrophobicContact CZ3-CB 4.32Å; K131-E185 PolarHBondContact N-OE2 3.31Å; K131-E185 PolarHBondContact O-N 3.21Å
186I98.3Very high92.6Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-120.2108.3-179.6-57-62.4000108.5P96 N102 I104 Y125 W130 K131 T132 C133 I188P96-I186 HydrophobicContact CB-CD1 3.6Å; P96-I186 HydrophobicContact CG-CD1 4.25Å; N102-I186 HydrophobicContact CB-CD1 3.92Å; I104-I186 HydrophobicContact CD1-CG2 4.16Å; Y125-I186 HydrophobicContact CD2-CG2 4.19Å; Y125-I186 HydrophobicContact CG-CG1 4.38Å; W130-I186 HydrophobicContact CB-CG1 3.93Å; W130-I186 HydrophobicContact CD2-CD1 4.15Å; W130-I186 HydrophobicContact CD2-CG1 4.03Å; W130-I186 HydrophobicContact CE3-CD1 3.59Å; W130-I186 HydrophobicContact CE3-CG1 3.67Å; W130-I186 HydrophobicContact CG-CG1 4.19Å; W130-I186 HydrophobicContact CZ3-CD1 3.88Å; W130-I186 HydrophobicContact CZ3-CG1 4.44Å; K131-I186 PolarHBondContact O-N 3.33Å; K131-I186 VanDerWaalsContact O-N 3.09Å; T132-I186 CarbonylContact C-O 3.57Å; T132-I186 WeakPolarHBondContact CA-O 3.13Å; T132-I186 HydrophobicContact CG2-CB 3.66Å; T132-I186 HydrophobicContact CG2-CG1 4.04Å; T132-I186 HydrophobicContact CG2-CG2 4.03Å; C133-I186 PolarHBondContact N-O 3.45Å; I186-I188 HydrophobicContact CG2-CD1 4.13Å; I186-I188 HydrophobicContact CG2-CG1 3.84Å
187I98.6Very high91.3Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-109.3111.5-179.1-52.1178.9000108.1N102 I103 I104 I135 V176 F179 K180 F184N102-I187 PolarHBondContact O-N 3.13Å; I103-I187 WeakPolarHBondContact CA-O 3.26Å; I103-I187 HydrophobicContact CG1-CB 4.41Å; I103-I187 HydrophobicContact CG1-CD1 4.35Å; I104-I187 PolarHBondContact N-O 2.91Å; I135-I187 HydrophobicContact CD1-CG2 3.45Å; I135-I187 VanDerWaalsContact CD1-CG2 3.45Å; I135-I187 HydrophobicContact CG1-CG2 4.37Å; V176-I187 HydrophobicContact CG2-CG2 4.08Å; F179-I187 HydrophobicContact CB-CD1 4.1Å; F179-I187 HydrophobicContact CB-CG1 4.32Å; K180-I187 HydrophobicContact CG-CD1 4.08Å; F184-I187 HydrophobicContact CB-CG1 4.36Å
188I98.6Very high90.2Very high0 Ų044.6 Ų44.60%022%0.218CC..EExtended strand (participates in β ladder)trans-106.6122.1-176.9-52.7-172.4000110.1I104 F106 C118 L121 A122 C133 L134 I135 I186I104-I188 WeakPolarHBondContact O-CA 3.44Å; F106-I188 HydrophobicContact CD2-CG2 3.7Å; F106-I188 HydrophobicContact CE2-CG2 3.65Å; F106-I188 HydrophobicContact CZ-CG2 4.47Å; C118-I188 HydrophobicContact CB-CG2 3.85Å; L121-I188 HydrophobicContact CB-CD1 3.94Å; L121-I188 HydrophobicContact CD2-CD1 3.99Å; L121-I188 HydrophobicContact CG-CD1 3.98Å; A122-I188 HydrophobicContact CB-CD1 3.66Å; C133-I188 PolarHBondContact O-N 2.98Å; L134-I188 CarbonylContact C-O 3.54Å; L134-I188 HydrophobicContact CD2-CB 4.04Å; L134-I188 HydrophobicContact CD2-CG2 4.24Å; I135-I188 PolarHBondContact N-O 2.93Å; I186-I188 HydrophobicContact CG2-CD1 4.13Å; I186-I188 HydrophobicContact CG2-CG1 3.84Å
189V98.3Very high89.3Confident0 Ų046 Ų460%023%0.23CC..EExtended strand (participates in β ladder)trans-103.5113.1178.8-175.80000109.9I104 F106 I135 A137 A172 V176 T191 I212I104-V189 PolarHBondContact O-N 2.77Å; F106-V189 PolarHBondContact N-O 3.12Å; I135-V189 HydrophobicContact CB-CG2 4.26Å; I135-V189 HydrophobicContact CD1-CG2 4Å; I135-V189 HydrophobicContact CG2-CG1 4.47Å; A137-V189 HydrophobicContact CB-CG1 4.07Å; A172-V189 HydrophobicContact CB-CG1 4.25Å; V176-V189 HydrophobicContact CG2-CG2 4.29Å; V189-T191 HydrophobicContact CG1-CG2 4.36Å; V189-I212 HydrophobicContact CB-CD1 4.26Å; V189-I212 HydrophobicContact CG1-CD1 4.32Å; V189-I212 HydrophobicContact CG2-CD1 3.89Å
190D97.2Very high88.6Confident0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-86.1122.5172.3-171.532.7000109.8K114 T115 C118 I135 A137 L148K114-D190 WeakPolarHBondContact CB-OD1 3.25Å; T115-D190 VanDerWaalsContact CA-OD2 3.24Å; T115-D190 WeakPolarHBondContact CA-OD2 3.11Å; T115-D190 WeakPolarHBondContact CB-OD2 3.41Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.32Å; T115-D190 PolarHBondContact N-OD1 2.9Å; T115-D190 PolarHBondContact OG1-OD2 3.13Å; C118-D190 HydrophobicContact CB-CB 4.46Å; I135-D190 PolarHBondContact O-N 2.97Å; A137-D190 CarbonylContact C-O 3.48Å; A137-D190 WeakPolarHBondContact CA-O 3.22Å; A137-D190 WeakPolarHBondContact CB-O 3.17Å; A137-D190 PolarHBondContact N-O 3.21Å; L148-D190 HydrophobicContact CD1-CB 3.69Å
191T94.8Very high87.8Confident2 Ų248 Ų481%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-107.8161.7179.671.50000111.4M105 F106 K114 V189M105-T191 HydrophobicContact CE-CG2 3.67Å; M105-T191 HydrophobicContact CG-CG2 4.03Å; F106-T191 WeakPolarHBondContact O-CB 3.25Å; F106-T191 WeakPolarHBondContact O-CG2 3.34Å; F106-T191 PolarHBondContact O-OG1 2.83Å; K114-T191 WeakPolarHBondContact CE-O 3.21Å; V189-T191 HydrophobicContact CG1-CG2 4.36Å
192S89.5Confident87.2Confident2 Ų243.2 Ų43.21%0.01422%0.224CC..  trans-58.7154172.458.50000112.4K114 D138 R194K114-S192 WeakPolarHBondContact CE-O 3.4Å; D138-S192 VanDerWaalsContact OD1-CB 3.26Å; D138-S192 WeakPolarHBondContact OD1-CB 3.44Å; S192-R194 PolarHBondContact OG-NE 2.91Å; S192-R194 PolarHBondContact OG-NH2 2.86Å; S192-R194 VanDerWaalsContact OG-NH2 3.13Å
193G82.3Confident86.8Confident21 Ų2143 Ų4322%0.21622%0.223CC..  trans-74132.8170.900000111.9
194R79.4Confident86.5Confident3 Ų338.2 Ų38.21%0.01120%0.197CC..  trans-128.3138.6-175-54.3178.2-172.3-104.8-3.4110.2G108 L109 S192 L201 F202 E204 F236G108-R194 PolarHBondContact O-N 3.33Å; L109-R194 VanDerWaalsContact CD2-O 3.3Å; L109-R194 WeakPolarHBondContact CD2-O 3.47Å; S192-R194 PolarHBondContact OG-NE 2.91Å; S192-R194 PolarHBondContact OG-NH2 2.86Å; S192-R194 VanDerWaalsContact OG-NH2 3.13Å; R194-L201 HydrophobicContact CB-CB 4.32Å; R194-L201 HydrophobicContact CB-CD1 4.47Å; R194-L201 WeakPolarHBondContact CD-O 3.43Å; R194-L201 HydrophobicContact CG-CB 4.04Å; R194-L201 HydrophobicContact CG-CD1 4.24Å; R194-L201 VanDerWaalsContact NH1-CA 3.35Å; R194-L201 PolarHBondContact NH1-O 3.22Å; R194-F202 HydrophobicContact CB-CE2 4.39Å; R194-E204 IonicContact CZ-OE2 3.18Å; R194-E204 IonicContact NH1-OE2 2.85Å; R194-E204 PolarHBondContact NH1-OE2 2.92Å; R194-E204 IonicContact NH2-OE2 3.45Å; R194-E204 PolarHBondContact NH2-OE2 3.33Å; R194-F236 HydrophobicContact CB-CZ 4.33Å
195H74.1Confident86.2Confident69 Ų6937.9 Ų37.932%0.31920%0.195SC..  trans-102.6142175-167-96.4000109.7Q197 E198 F202 Q232H195-Q197 PolarHBondContact CE1-OE1 3.19Å; H195-Q197 PolarHBondContact ND1-OE1 3.45Å; H195-Q197 PolarHBondContact O-N 3.15Å; H195-E198 PolarHBondContact O-N 3.06Å; H195-F202 WeakPolarHBondContact O-CE2 3.42Å; H195-Q232 PolarHBondContact NE2-NE2 3.42Å; H195-Q232 VanDerWaalsContact NE2-NE2 3.16Å
196K68Low86Confident86 Ų8638.5 Ų38.537%0.37420%0.2SC..THydrogen-bonded Turntrans-54.6-12.1-177.569.3175.8-176.11690116.5E198 Q232 A235K196-E198 VanDerWaalsContact C-N 3.35Å; K196-Q232 VanDerWaalsContact CB-OE1 3.23Å; K196-A235 HydrophobicContact CB-CB 3.97Å
197Q69.3Low85.8Confident152 Ų15243.7 Ų43.771%0.7122%0.224SC*.THydrogen-bonded Turntrans-88.9-5.4-177.1-70.8173.9-40.800112.5H195H195-Q197 PolarHBondContact CE1-OE1 3.19Å; H195-Q197 PolarHBondContact ND1-OE1 3.45Å; H195-Q197 PolarHBondContact O-N 3.15Å
198E75Confident85.6Confident95 Ų9543.8 Ų43.844%0.44422%0.224SC..  trans-10986.2-177.3-66.4-178-134.800110.4H195 K196 S200 L201 F202H195-E198 PolarHBondContact O-N 3.06Å; K196-E198 VanDerWaalsContact C-N 3.35Å; E198-S200 VanDerWaalsContact C-N 3.26Å; E198-S200 PolarHBondContact O-N 2.94Å; E198-L201 HydrophobicContact CB-CB 4.14Å; E198-L201 HydrophobicContact CB-CD1 4.09Å; E198-L201 HydrophobicContact CB-CG 4.09Å; E198-L201 PolarHBondContact O-N 2.88Å; E198-L201 VanDerWaalsContact O-N 3.1Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.44Å; E198-F202 PolarHBondContact O-N 3Å; E198-F202 VanDerWaalsContact O-N 3.15Å
199D79.9Confident85.5Confident119 Ų11944.2 Ų44.264%0.63623%0.228SC*.Hα-helixtrans-57.9-38-178.7-69.8-26000112.4L201 F202 E203D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.43Å; D199-F202 PolarHBondContact O-N 2.86Å; D199-F202 VanDerWaalsContact O-N 3.12Å; D199-E203 PolarHBondContact O-N 3.15Å
200S81.9Confident85.4Confident90 Ų9049.2 Ų49.263%0.62926%0.255SS*.Hα-helixtrans-58.9-40.1176.652.60000112.4E198 E204E198-S200 VanDerWaalsContact C-N 3.26Å; E198-S200 PolarHBondContact O-N 2.94Å; S200-E204 PolarHBondContact O-N 3.17Å; S200-E204 VanDerWaalsContact O-N 3.11Å
201L76.6Confident85.4Confident12 Ų1251.4 Ų51.46%0.06327%0.273CS..Hα-helixtrans-74-32.2176.5-65.9-173.1000111.6Y140 R194 E198 D199 E203 M205Y140-L201 HydrophobicContact CE1-CD2 4.03Å; Y140-L201 HydrophobicContact CE2-CD2 3.87Å; Y140-L201 WeakPolarHBondContact OH-CD2 3.34Å; R194-L201 HydrophobicContact CB-CB 4.32Å; R194-L201 HydrophobicContact CB-CD1 4.47Å; R194-L201 WeakPolarHBondContact CD-O 3.43Å; R194-L201 HydrophobicContact CG-CB 4.04Å; R194-L201 HydrophobicContact CG-CD1 4.24Å; R194-L201 VanDerWaalsContact NH1-CA 3.35Å; R194-L201 PolarHBondContact NH1-O 3.22Å; E198-L201 HydrophobicContact CB-CB 4.14Å; E198-L201 HydrophobicContact CB-CD1 4.09Å; E198-L201 HydrophobicContact CB-CG 4.09Å; E198-L201 PolarHBondContact O-N 2.88Å; E198-L201 VanDerWaalsContact O-N 3.1Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.44Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.43Å; L201-E203 VanDerWaalsContact C-N 3.34Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 PolarHBondContact O-N 3.5Å
202F83.8Confident85.4Confident7 Ų751.6 Ų51.63%0.03127%0.274CS..Hα-helixtrans-67.1-37.3174.5-90.1-98.2000112.3R194 H195 E198 D199 M205 L206 F236 K239R194-F202 HydrophobicContact CB-CE2 4.39Å; H195-F202 WeakPolarHBondContact O-CE2 3.42Å; E198-F202 PolarHBondContact O-N 3Å; E198-F202 VanDerWaalsContact O-N 3.15Å; D199-F202 PolarHBondContact O-N 2.86Å; D199-F202 VanDerWaalsContact O-N 3.12Å; F202-M205 HydrophobicContact CD1-CE 3.6Å; F202-M205 HydrophobicContact CE1-CE 3.82Å; F202-M205 HydrophobicContact CG-CE 4.34Å; F202-M205 PolarHBondContact O-N 3.36Å; F202-L206 PolarHBondContact O-N 3.12Å; F202-F236 AromaticContact CE1-CD1 3.99Å; F202-F236 HydrophobicContact CE1-CD1 3.99Å; F202-F236 HydrophobicContact CE1-CD2 4.35Å; F202-F236 HydrophobicContact CE1-CE1 4.14Å; F202-F236 HydrophobicContact CE1-CE2 4.49Å; F202-F236 HydrophobicContact CE1-CG 4.09Å; F202-F236 HydrophobicContact CE1-CZ 4.39Å; F202-F236 HydrophobicContact CE2-CZ 4.42Å; F202-F236 HydrophobicContact CZ-CD1 4.15Å; F202-F236 HydrophobicContact CZ-CD2 4.02Å; F202-F236 AromaticContact CZ-CE1 3.93Å; F202-F236 HydrophobicContact CZ-CE1 3.93Å; F202-F236 AromaticContact CZ-CE2 3.79Å; F202-F236 HydrophobicContact CZ-CE2 3.79Å; F202-F236 HydrophobicContact CZ-CG 4.19Å; F202-F236 AromaticContact CZ-CZ 3.74Å; F202-F236 HydrophobicContact CZ-CZ 3.74Å; F202-K239 HydrophobicContact CB-CG 4.47Å; F202-K239 HydrophobicContact CD1-CB 3.7Å; F202-K239 HydrophobicContact CD1-CG 3.7Å; F202-K239 HydrophobicContact CE1-CB 4.33Å; F202-K239 HydrophobicContact CE1-CG 4.43Å; F202-K239 HydrophobicContact CG-CG 4.46Å
203E88.6Confident85.7Confident77 Ų7758.9 Ų58.936%0.3631%0.307SS..Hα-helixtrans-67.6-42.1175-70.1-53.6141.700112.3D199 L201 M205 L206 Q207 K239D199-E203 PolarHBondContact O-N 3.15Å; L201-E203 VanDerWaalsContact C-N 3.34Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 2.92Å; E203-L206 WeakPolarHBondContact O-CB 3.35Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E203-Q207 WeakPolarHBondContact O-CG 3.37Å; E203-Q207 PolarHBondContact O-N 2.86Å; E203-K239 IonicContact OE1-NZ 3.96Å; E203-K239 PolarHBondContact OE1-NZ 2.84Å
204E88.4Confident86.5Confident27 Ų2759.1 Ų59.113%0.12631%0.305CS..Hα-helixtrans-62.9-38.8175.1-175.1-164.1-115.600111.6Y140 P168 R194 S200 L206 Q207 V208Y140-E204 WeakPolarHBondContact CE2-OE2 3.23Å; Y140-E204 PolarHBondContact OH-OE1 3.46Å; P168-E204 WeakPolarHBondContact CD-OE1 3.46Å; P168-E204 HydrophobicContact CG-CG 3.73Å; P168-E204 VanDerWaalsContact CG-OE1 3.28Å; P168-E204 WeakPolarHBondContact CG-OE1 3.47Å; R194-E204 IonicContact CZ-OE2 3.18Å; R194-E204 IonicContact NH1-OE2 2.85Å; R194-E204 PolarHBondContact NH1-OE2 2.92Å; R194-E204 IonicContact NH2-OE2 3.45Å; R194-E204 PolarHBondContact NH2-OE2 3.33Å; S200-E204 PolarHBondContact O-N 3.17Å; S200-E204 VanDerWaalsContact O-N 3.11Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 2.9Å; E204-Q207 WeakPolarHBondContact O-CB 3.48Å; E204-Q207 PolarHBondContact O-N 3.31Å; E204-V208 WeakPolarHBondContact O-CG2 3.47Å; E204-V208 PolarHBondContact O-N 3.03Å
205M90.3Very high87.3Confident0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-61.4-41.1174.1-175.3179.858.300112M105 V107 L201 F202 E203 V208 A209 F236 V240M105-M205 HydrophobicContact CE-CG 3.67Å; V107-M205 HydrophobicContact CB-SD 3.85Å; V107-M205 HydrophobicContact CG1-CG 4.1Å; V107-M205 HydrophobicContact CG1-SD 3.51Å; V107-M205 VanDerWaalsContact CG1-SD 3.51Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 PolarHBondContact O-N 3.5Å; F202-M205 HydrophobicContact CD1-CE 3.6Å; F202-M205 HydrophobicContact CE1-CE 3.82Å; F202-M205 HydrophobicContact CG-CE 4.34Å; F202-M205 PolarHBondContact O-N 3.36Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 2.92Å; M205-V208 PolarHBondContact O-N 2.85Å; M205-A209 WeakPolarHBondContact O-CB 3.44Å; M205-A209 PolarHBondContact O-N 3.09Å; M205-F236 HydrophobicContact CE-CD1 3.75Å; M205-F236 HydrophobicContact CE-CE1 3.92Å; M205-F236 HydrophobicContact SD-CD1 3.88Å; M205-F236 HydrophobicContact SD-CE1 3.7Å; M205-V240 HydrophobicContact CE-CB 4.34Å; M205-V240 HydrophobicContact CE-CG1 3.79Å; M205-V240 HydrophobicContact CE-CG2 3.58Å; M205-V240 HydrophobicContact CG-CG1 4.21Å; M205-V240 HydrophobicContact SD-CG1 4.47Å; M205-V240 HydrophobicContact SD-CG2 4.12Å
206L93.2Very high88.4Confident47 Ų4758.3 Ų58.325%0.24630%0.304CS..Hα-helixtrans-65.4-40.2175.8178.460.7000111.2F202 E203 E204 A209 N210 V240F202-L206 PolarHBondContact O-N 3.12Å; E203-L206 WeakPolarHBondContact O-CB 3.35Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.16Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 2.9Å; L206-A209 PolarHBondContact O-N 2.95Å; L206-N210 WeakPolarHBondContact O-CB 3.4Å; L206-N210 PolarHBondContact O-N 3.28Å; L206-N210 PolarHBondContact O-ND2 3.37Å; L206-V240 HydrophobicContact CB-CG1 4.49Å; L206-V240 HydrophobicContact CD1-CG1 4.34Å
207Q93.8Very high89.8Confident109 Ų10954.8 Ų54.851%0.50929%0.289SS..Hα-helixtrans-61.4-45.3174.6-71.3176.4-6.500111.9V169 E203 E204 A209 N210 A211V169-Q207 HydrophobicContact CG2-CB 3.96Å; E203-Q207 WeakPolarHBondContact O-CG 3.37Å; E203-Q207 PolarHBondContact O-N 2.86Å; E204-Q207 WeakPolarHBondContact O-CB 3.48Å; E204-Q207 PolarHBondContact O-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.67Å; Q207-N210 PolarHBondContact O-N 2.99Å; Q207-A211 WeakPolarHBondContact O-CB 3.46Å; Q207-A211 PolarHBondContact O-N 3.07Å
208V94.8Very high91.1Very high1 Ų147.5 Ų47.51%0.00626%0.255CS..Hα-helixtrans-58.9-47.9174.5173.80000110.5M105 P168 V169 A172 E204 M205 N210 A211 I212M105-V208 HydrophobicContact CE-CB 4.1Å; M105-V208 HydrophobicContact CE-CG1 3.86Å; M105-V208 HydrophobicContact SD-CG1 4.48Å; P168-V208 HydrophobicContact CB-CG2 4.12Å; P168-V208 HydrophobicContact CG-CG2 4.16Å; V169-V208 HydrophobicContact CB-CG2 4.48Å; V169-V208 HydrophobicContact CG2-CG2 3.74Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; E204-V208 WeakPolarHBondContact O-CG2 3.47Å; E204-V208 PolarHBondContact O-N 3.03Å; M205-V208 PolarHBondContact O-N 2.85Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 3.37Å; V208-A211 PolarHBondContact O-N 2.81Å; V208-I212 HydrophobicContact CG1-CD1 4.18Å; V208-I212 WeakPolarHBondContact O-CG1 3.37Å; V208-I212 PolarHBondContact O-N 3.48Å
209A96Very high92.1Very high9 Ų943 Ų437%0.07423%0.234CC..Hα-helixtrans-60.5-42.5179.100000112.2M105 M205 L206 Q207 A211 Q213 P214 I217 V240M105-A209 HydrophobicContact CE-CB 4.35Å; M105-A209 HydrophobicContact SD-CB 3.82Å; M205-A209 WeakPolarHBondContact O-CB 3.44Å; M205-A209 PolarHBondContact O-N 3.09Å; L206-A209 PolarHBondContact O-N 2.95Å; Q207-A209 PolarHBondContact O-N 2.67Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.28Å; A209-Q213 WeakPolarHBondContact O-CA 3.32Å; A209-Q213 PolarHBondContact O-N 3.49Å; A209-P214 WeakPolarHBondContact O-CD 3.35Å; A209-I217 HydrophobicContact CB-CD1 4.35Å; A209-V240 HydrophobicContact CB-CG1 4.42Å
210N96.3Very high92.8Very high106 Ų10637.3 Ų37.357%0.56720%0.203SC*.Hα-helixtrans-66.2-36.1178.1-70.9-23.3000112.4L206 Q207 V208L206-N210 WeakPolarHBondContact O-CB 3.4Å; L206-N210 PolarHBondContact O-N 3.28Å; L206-N210 PolarHBondContact O-ND2 3.37Å; Q207-N210 PolarHBondContact O-N 2.99Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 3.37Å
211A96.6Very high93.3Very high46 Ų4633.1 Ų33.138%0.3817%0.174SC..Hα-helixtrans-71.4-44.8179.600000112.3V169 Q207 V208 A209V169-A211 HydrophobicContact CG1-CB 3.64Å; Q207-A211 WeakPolarHBondContact O-CB 3.46Å; Q207-A211 PolarHBondContact O-N 3.07Å; V208-A211 PolarHBondContact O-N 2.81Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.28Å
212I96.4Very high93.9Very high6 Ų633.7 Ų33.73%0.03118%0.177CC..Hα-helixtrans-90-16.8-175.473-176.8000114.3I103 M105 A172 V176 V189 V208 P214I103-I212 WeakPolarHBondContact CD1-O 3.39Å; I103-I212 HydrophobicContact CG2-CD1 4.25Å; I103-I212 HydrophobicContact CG2-CG1 4.35Å; M105-I212 HydrophobicContact CB-CD1 4.28Å; M105-I212 HydrophobicContact CG-CD1 4.33Å; M105-I212 HydrophobicContact SD-CD1 4.23Å; A172-I212 HydrophobicContact CB-CG2 3.66Å; V176-I212 HydrophobicContact CG2-CB 4.16Å; V176-I212 HydrophobicContact CG2-CG2 4.04Å; V189-I212 HydrophobicContact CB-CD1 4.26Å; V189-I212 HydrophobicContact CG1-CD1 4.32Å; V189-I212 HydrophobicContact CG2-CD1 3.89Å; V208-I212 HydrophobicContact CG1-CD1 4.18Å; V208-I212 WeakPolarHBondContact O-CG1 3.37Å; V208-I212 PolarHBondContact O-N 3.48Å; I212-P214 HydrophobicContact CG1-CB 4.43Å; I212-P214 HydrophobicContact CG1-CG 4.38Å
213Q96.1Very high94Very high154 Ų15433.4 Ų33.472%0.7218%0.176SC*.  trans48.966-178.1-58.117919.100112.4A209A209-Q213 WeakPolarHBondContact O-CA 3.32Å; A209-Q213 PolarHBondContact O-N 3.49Å
214P97.1Very high93.6Very high27 Ų2733.3 Ų33.318%0.17518%0.183CC..  trans-67.4137-174.529.7-33.4000111.6I103 M105 A209 I212 N216 I217I103-P214 HydrophobicContact CG2-CB 4.16Å; I103-P214 CarbonylContact O-C 3.44Å; M105-P214 HydrophobicContact CB-CB 3.87Å; M105-P214 HydrophobicContact CB-CG 4.11Å; M105-P214 HydrophobicContact SD-CG 4.33Å; A209-P214 WeakPolarHBondContact O-CD 3.35Å; I212-P214 HydrophobicContact CG1-CB 4.43Å; I212-P214 HydrophobicContact CG1-CG 4.38Å; P214-N216 PolarHBondContact O-N 2.98Å; P214-I217 HydrophobicContact CB-CG1 4.21Å; P214-I217 HydrophobicContact CG-CD1 3.85Å; P214-I217 HydrophobicContact CG-CG1 3.58Å
215D96.8Very high93.3Very high52 Ų5233.1 Ų33.128%0.27818%0.183SC..SBendtrans-69.8-25.5173.3-58.7-93.7000111.7W94 K100 N102 I103W94-D215 HydrophobicContact CZ2-CB 3.88Å; W94-D215 PolarHBondContact NE1-O 3.45Å; K100-D215 IonicContact NZ-OD1 3.27Å; K100-D215 PolarHBondContact NZ-OD1 3.28Å; N102-D215 WeakPolarHBondContact CA-OD2 3.35Å; I103-D215 PolarHBondContact N-OD2 3.47Å; I103-D215 PolarHBondContact O-N 3.36Å
216N96.9Very high92.7Very high3 Ų334.1 Ų34.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-146.7129.3177.3-172.728.9000111.1W94 I103 I104 M105 P214 A243 S244W94-N216 HydrophobicContact CB-CB 4.48Å; W94-N216 HydrophobicContact CD2-CB 3.67Å; W94-N216 HydrophobicContact CE3-CB 3.85Å; W94-N216 HydrophobicContact CG-CB 3.96Å; W94-N216 HydrophobicContact CZ2-CB 4.41Å; W94-N216 HydrophobicContact CZ3-CB 4.28Å; I103-N216 PolarHBondContact O-N 2.86Å; I104-N216 WeakPolarHBondContact CA-O 3.43Å; I104-N216 HydrophobicContact CG2-CB 4.46Å; M105-N216 PolarHBondContact N-O 3.42Å; P214-N216 PolarHBondContact O-N 2.98Å; N216-A243 WeakPolarHBondContact OD1-CB 3.36Å; N216-S244 PolarHBondContact ND2-OG 3.35Å; N216-S244 VanDerWaalsContact ND2-OG 3.13Å; N216-S244 PolarHBondContact OD1-OG 2.89Å
217I97.2Very high91.9Very high11 Ų1135.8 Ų35.86%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-104.2120.1170-56.6-178.1000108.5M105 V107 A209 P214 V240 V242 A243 S244M105-I217 HydrophobicContact CB-CG1 4.35Å; M105-I217 WeakPolarHBondContact O-CA 2.96Å; V107-I217 HydrophobicContact CG1-CG2 4Å; V107-I217 HydrophobicContact CG2-CG2 3.68Å; A209-I217 HydrophobicContact CB-CD1 4.35Å; P214-I217 HydrophobicContact CB-CG1 4.21Å; P214-I217 HydrophobicContact CG-CD1 3.85Å; P214-I217 HydrophobicContact CG-CG1 3.58Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.43Å; I217-V242 HydrophobicContact CG2-CG2 4.21Å; I217-A243 PolarHBondContact O-N 3.34Å; I217-S244 PolarHBondContact O-N 3.01Å
218V97.2Very high91.3Very high0 Ų033.4 Ų33.40%020%0.198CC..EExtended strand (participates in β ladder)trans-103.3117.4-176.7-178.90000109.7I104 M105 F106 V107 V220 S244 I246 I271I104-V218 HydrophobicContact CG2-CG2 3.55Å; M105-V218 PolarHBondContact O-N 3.25Å; F106-V218 HydrophobicContact CD2-CB 4.31Å; F106-V218 HydrophobicContact CE1-CG1 4.33Å; F106-V218 HydrophobicContact CE2-CB 4.25Å; F106-V218 HydrophobicContact CE2-CG2 4.21Å; F106-V218 HydrophobicContact CZ-CB 4.43Å; F106-V218 HydrophobicContact CZ-CG1 4.33Å; V107-V218 PolarHBondContact N-O 2.9Å; V218-V220 HydrophobicContact CG1-CG2 4.28Å; V218-S244 WeakPolarHBondContact CA-O 3.43Å; V218-I246 HydrophobicContact CG1-CB 4.2Å; V218-I246 HydrophobicContact CG1-CD1 3.56Å; V218-I246 HydrophobicContact CG1-CG1 3.56Å; V218-I271 HydrophobicContact CG2-CD1 4.23Å
219Y95.6Very high90.9Very high0 Ų033.3 Ų33.30%020%0.198CC..EExtended strand (participates in β ladder)trans-84.5112.3170.1177.5-113.9000110.4V107 M221 A233 F236 V242 S244 V245 I246 A262V107-Y219 HydrophobicContact CG2-CD2 4.45Å; V107-Y219 WeakPolarHBondContact O-CA 3.46Å; Y219-M221 HydrophobicContact CD1-CB 4.27Å; Y219-M221 HydrophobicContact CE1-CB 3.74Å; Y219-M221 HydrophobicContact CE1-CG 4.46Å; Y219-A233 HydrophobicContact CD1-CB 4.45Å; Y219-A233 HydrophobicContact CE1-CB 3.84Å; Y219-F236 HydrophobicContact CD2-CB 4.22Å; Y219-F236 HydrophobicContact CD2-CD1 4.5Å; Y219-F236 HydrophobicContact CD2-CD2 4.08Å; Y219-F236 HydrophobicContact CD2-CG 4.01Å; Y219-F236 HydrophobicContact CE2-CB 4.39Å; Y219-F236 AromaticContact CE2-CD2 3.53Å; Y219-F236 HydrophobicContact CE2-CD2 3.53Å; Y219-F236 AromaticContact CE2-CE2 3.93Å; Y219-F236 HydrophobicContact CE2-CE2 3.93Å; Y219-F236 AromaticContact CE2-CG 3.95Å; Y219-F236 HydrophobicContact CE2-CG 3.95Å; Y219-V242 VanDerWaalsContact CB-CG1 3.45Å; Y219-S244 PolarHBondContact N-O 3.23Å; Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.49Å; Y219-V245 WeakPolarHBondContact O-CA 3.3Å; Y219-I246 PolarHBondContact O-N 3.32Å; Y219-A262 HydrophobicContact CE1-CB 4.45Å
220V95.3Very high90.4Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-92.6120.3176.1-174.40000109.7F106 V107 S112 K114 V218 T248F106-V220 HydrophobicContact CD1-CG2 3.37Å; F106-V220 HydrophobicContact CE1-CG2 3.75Å; F106-V220 HydrophobicContact CG-CG2 4.35Å; V107-V220 PolarHBondContact O-N 3.01Å; S112-V220 VanDerWaalsContact CB-O 3.24Å; S112-V220 WeakPolarHBondContact CB-O 3.39Å; S112-V220 WeakPolarHBondContact O-CG1 3.43Å; S112-V220 PolarHBondContact OG-O 3.46Å; K114-V220 HydrophobicContact CG-CB 3.96Å; K114-V220 HydrophobicContact CG-CG1 4.5Å; K114-V220 HydrophobicContact CG-CG2 4.16Å; V218-V220 HydrophobicContact CG1-CG2 4.28Å; V220-T248 HydrophobicContact CG1-CG2 3.52Å
221M91.7Very high90Very high1 Ų133 Ų331%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-121145.7179.364.6166.5-73.200112.1Y219 I225 V245 I246 V247 T248 A259 A262Y219-M221 HydrophobicContact CD1-CB 4.27Å; Y219-M221 HydrophobicContact CE1-CB 3.74Å; Y219-M221 HydrophobicContact CE1-CG 4.46Å; M221-I225 HydrophobicContact CE-CG2 3.37Å; M221-V245 HydrophobicContact CG-CG1 3.99Å; M221-V245 HydrophobicContact SD-CG1 4.01Å; M221-I246 WeakPolarHBondContact CG-O 3.35Å; M221-I246 PolarHBondContact N-O 3.24Å; M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG2 4.05Å; M221-V247 WeakPolarHBondContact O-CA 3.44Å; M221-V247 HydrophobicContact SD-CG2 4.09Å; M221-T248 PolarHBondContact O-N 3.32Å; M221-T248 PolarHBondContact O-OG1 2.88Å; M221-A259 HydrophobicContact CE-CB 4.14Å; M221-A259 VanDerWaalsContact CE-N 3.28Å; M221-A259 HydrophobicContact SD-CB 4.29Å; M221-A262 HydrophobicContact CE-CB 4.46Å; M221-A262 HydrophobicContact SD-CB 3.37Å; M221-A262 WeakPolarHBondContact SD-CB 3.28Å
222D89.9Confident89.6Confident25 Ų2531 Ų3113%0.13418%0.183CC..EExtended strand (participates in β ladder)trans-80.6131173-171.8-35000109.4S224 I225 K249D222-S224 PolarHBondContact O-N 3.3Å; D222-S224 VanDerWaalsContact O-N 3.09Å; D222-S224 WeakPolarHBondContact OD1-CB 3.45Å; D222-S224 PolarHBondContact OD1-N 2.98Å; D222-S224 PolarHBondContact OD1-OG 3.43Å; D222-S224 PolarHBondContact OD2-OG 2.97Å; D222-I225 WeakPolarHBondContact O-CB 2.94Å; D222-I225 WeakPolarHBondContact O-CG2 3.45Å; D222-I225 PolarHBondContact O-N 2.83Å; D222-K249 WeakPolarHBondContact OD2-CD 3.15Å; D222-K249 VanDerWaalsContact OD2-CE 3.32Å; D222-K249 WeakPolarHBondContact OD2-CE 3.43Å; D222-K249 IonicContact OD2-NZ 2.68Å; D222-K249 PolarHBondContact OD2-NZ 3.31Å
223A85.4Confident89.2Confident1 Ų130.8 Ų30.81%0.00818%0.181CC..THydrogen-bonded Turntrans-60.7-18.5177.500000114.3I225 V247 T248 L250 A254 G256A223-I225 VanDerWaalsContact C-N 3.3Å; A223-V247 HydrophobicContact CB-CG1 3.87Å; A223-T248 WeakPolarHBondContact CB-O 3.44Å; A223-T248 PolarHBondContact N-O 3.49Å; A223-L250 HydrophobicContact CB-CD2 3.5Å; A223-L250 VanDerWaalsContact CB-CD2 3.5Å; A223-L250 HydrophobicContact CB-CG 3.94Å; A223-A254 HydrophobicContact CB-CB 3.51Å; A223-G256 PolarHBondContact O-N 3.48Å; A223-G256 VanDerWaalsContact O-N 3.13Å
224S81.3Confident89Confident74 Ų7428.3 Ų28.352%0.51717%0.168SC..THydrogen-bonded Turntrans-81.5-8176.966.20000113.6D222 G226D222-S224 PolarHBondContact O-N 3.3Å; D222-S224 VanDerWaalsContact O-N 3.09Å; D222-S224 WeakPolarHBondContact OD1-CB 3.45Å; D222-S224 PolarHBondContact OD1-N 2.98Å; D222-S224 PolarHBondContact OD1-OG 3.43Å; D222-S224 PolarHBondContact OD2-OG 2.97Å; S224-G226 PolarHBondContact O-N 2.97Å; S224-G226 VanDerWaalsContact O-N 3.16Å
225I81.6Confident88.6Confident24 Ų2428.2 Ų28.212%0.12317%0.17CC..  trans-63119.4177-161.4173000109.6L109 M221 D222 A223 C229 G258L109-I225 HydrophobicContact CD1-CD1 3.56Å; M221-I225 HydrophobicContact CE-CG2 3.37Å; D222-I225 WeakPolarHBondContact O-CB 2.94Å; D222-I225 WeakPolarHBondContact O-CG2 3.45Å; D222-I225 PolarHBondContact O-N 2.83Å; A223-I225 VanDerWaalsContact C-N 3.3Å; I225-C229 HydrophobicContact CD1-CB 4.11Å; I225-C229 HydrophobicContact CG1-CB 4.07Å; I225-C229 HydrophobicContact CG2-CB 3.75Å; I225-C229 VanDerWaalsContact CG2-SG 3.55Å; I225-G258 VanDerWaalsContact O-CA 3.3Å; I225-G258 WeakPolarHBondContact O-CA 3.39Å
226G76.6Confident88.4Confident20 Ų2025.8 Ų25.821%0.20616%0.157CC..  trans-84.5-139.7-17900000112.7S224 A228 C229S224-G226 PolarHBondContact O-N 2.97Å; S224-G226 VanDerWaalsContact O-N 3.16Å; G226-A228 PolarHBondContact O-N 2.98Å; G226-C229 VanDerWaalsContact O-CB 3.25Å; G226-C229 WeakPolarHBondContact O-CB 3.32Å; G226-C229 PolarHBondContact O-N 2.98Å
227Q76.9Confident88.1Confident82 Ų8228.3 Ų28.338%0.38317%0.167SC..THydrogen-bonded Turntrans-57.2-26.9-175.2-60-63.7-48.500114.5D43 V44 C229D43-Q227 VanDerWaalsContact C-NE2 3.3Å; D43-Q227 PolarHBondContact O-NE2 2.93Å; V44-Q227 PolarHBondContact O-NE2 3.46Å; Q227-C229 PolarHBondContact O-N 3.5Å; Q227-C229 VanDerWaalsContact O-N 3.15Å
228A82.2Confident87.9Confident59 Ų5932.8 Ų32.849%0.48819%0.192SC..THydrogen-bonded Turntrans-65.8-13.8178.200000113.6G226 E230 A231 Q232G226-A228 PolarHBondContact O-N 2.98Å; A228-E230 PolarHBondContact O-N 2.98Å; A228-A231 PolarHBondContact O-N 3.4Å; A228-Q232 VanDerWaalsContact O-CG 3.25Å; A228-Q232 WeakPolarHBondContact O-CG 3.37Å; A228-Q232 PolarHBondContact O-N 3.22Å
229C85Confident87.5Confident0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-55.5-46.7-177.7-165.80000113.2I225 G226 Q227 A231 Q232 A233 G258I225-C229 HydrophobicContact CD1-CB 4.11Å; I225-C229 HydrophobicContact CG1-CB 4.07Å; I225-C229 HydrophobicContact CG2-CB 3.75Å; I225-C229 VanDerWaalsContact CG2-SG 3.55Å; G226-C229 VanDerWaalsContact O-CB 3.25Å; G226-C229 WeakPolarHBondContact O-CB 3.32Å; G226-C229 PolarHBondContact O-N 2.98Å; Q227-C229 PolarHBondContact O-N 3.5Å; Q227-C229 VanDerWaalsContact O-N 3.15Å; C229-A231 PolarHBondContact O-N 3.43Å; C229-Q232 PolarHBondContact O-N 3.2Å; C229-A233 VanDerWaalsContact O-CB 3.26Å; C229-A233 WeakPolarHBondContact O-CB 2.98Å; C229-A233 PolarHBondContact O-N 3.05Å; C229-G258 PolarHBondContact SG-O 3.39Å
230E85.8Confident87.3Confident61 Ų6137.2 Ų37.229%0.28521%0.211SC..Hα-helixtrans-57.3-49.6-176.7-175.7-176.3-150.100111.2N45 A228 Q232 K234 A265N45-E230 PolarHBondContact ND2-OE2 3.16Å; A228-E230 PolarHBondContact O-N 2.98Å; E230-Q232 VanDerWaalsContact C-N 3.35Å; E230-Q232 PolarHBondContact O-N 3.42Å; E230-K234 VanDerWaalsContact O-CB 3.26Å; E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 2.87Å; E230-A265 HydrophobicContact CG-CB 4.13Å
231A87.5Confident87.1Confident47 Ų4742.7 Ų42.739%0.38824%0.241SC..Hα-helixtrans-66.9-36.1-178.800000112.5A228 C229 A235A228-A231 PolarHBondContact O-N 3.4Å; C229-A231 PolarHBondContact O-N 3.43Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 2.92Å; A231-A235 VanDerWaalsContact O-N 3.08Å
232Q88.4Confident87.2Confident5 Ų542.7 Ų42.72%0.02324%0.24CC..Hα-helixtrans-70.5-51.7178.2-64.3-71.6-4.100110.4L109 H195 K196 A228 C229 E230 K234 A235 F236L109-Q232 HydrophobicContact CD1-CB 4.47Å; L109-Q232 HydrophobicContact CD1-CG 4.12Å; L109-Q232 HydrophobicContact CD2-CG 4.31Å; H195-Q232 PolarHBondContact NE2-NE2 3.42Å; H195-Q232 VanDerWaalsContact NE2-NE2 3.16Å; K196-Q232 VanDerWaalsContact CB-OE1 3.23Å; A228-Q232 VanDerWaalsContact O-CG 3.25Å; A228-Q232 WeakPolarHBondContact O-CG 3.37Å; A228-Q232 PolarHBondContact O-N 3.22Å; C229-Q232 PolarHBondContact O-N 3.2Å; E230-Q232 VanDerWaalsContact C-N 3.35Å; E230-Q232 PolarHBondContact O-N 3.42Å; Q232-K234 VanDerWaalsContact C-N 3.26Å; Q232-K234 PolarHBondContact O-N 2.59Å; Q232-A235 PolarHBondContact O-N 2.87Å; Q232-A235 VanDerWaalsContact O-N 3.08Å; Q232-F236 VanDerWaalsContact O-CD2 3.31Å; Q232-F236 WeakPolarHBondContact O-CD2 3.31Å; Q232-F236 PolarHBondContact O-N 2.99Å
233A89.5Confident87.4Confident0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-58.9-39.8179.700000111.6Y219 C229 F236 K237 A262 A265 T266Y219-A233 HydrophobicContact CD1-CB 4.45Å; Y219-A233 HydrophobicContact CE1-CB 3.84Å; C229-A233 VanDerWaalsContact O-CB 3.26Å; C229-A233 WeakPolarHBondContact O-CB 2.98Å; C229-A233 PolarHBondContact O-N 3.05Å; A233-F236 PolarHBondContact O-N 2.9Å; A233-K237 WeakPolarHBondContact O-CB 3.36Å; A233-K237 PolarHBondContact O-N 3.34Å; A233-A262 HydrophobicContact CB-CB 4.13Å; A233-A265 HydrophobicContact CB-CB 4.13Å; A233-T266 HydrophobicContact CB-CG2 3.8Å
234K90.3Very high87.8Confident102 Ų10243 Ų4344%0.44325%0.246SC..Hα-helixtrans-63.5-45173.3-170.3174-173.1-57.20112.6E230 Q232 F236 K237 D238 A265E230-K234 VanDerWaalsContact O-CB 3.26Å; E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 2.87Å; Q232-K234 VanDerWaalsContact C-N 3.26Å; Q232-K234 PolarHBondContact O-N 2.59Å; K234-F236 VanDerWaalsContact C-N 3.33Å; K234-F236 PolarHBondContact O-N 3.25Å; K234-K237 PolarHBondContact O-N 3.11Å; K234-D238 VanDerWaalsContact NZ-CG 3.35Å; K234-D238 IonicContact NZ-OD1 3.61Å; K234-D238 PolarHBondContact NZ-OD1 3.48Å; K234-D238 IonicContact NZ-OD2 3.36Å; K234-D238 PolarHBondContact NZ-OD2 2.93Å; K234-D238 WeakPolarHBondContact O-CB 3.48Å; K234-D238 PolarHBondContact O-N 2.62Å; K234-A265 HydrophobicContact CB-CB 4.34Å
235A90.5Very high88.5Confident25 Ų2539.4 Ų39.421%0.20722%0.222CC..Hα-helixtrans-60.9-40.6178.200000112.5K196 A231 Q232 K239K196-A235 HydrophobicContact CB-CB 3.97Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 2.92Å; A231-A235 VanDerWaalsContact O-N 3.08Å; Q232-A235 PolarHBondContact O-N 2.87Å; Q232-A235 VanDerWaalsContact O-N 3.08Å; A235-K239 PolarHBondContact O-N 2.89Å
236F91.3Very high89.1Confident1 Ų138.3 Ų38.30%0.00422%0.216CC..Hα-helixtrans-63.3-47172.4-81.5-84.7000111.7V107 L109 R194 F202 M205 Y219 Q232 A233 K234 D238 K239 V240 V242V107-F236 HydrophobicContact CB-CD1 4.11Å; V107-F236 HydrophobicContact CB-CE1 4.13Å; V107-F236 HydrophobicContact CG2-CD1 4.04Å; L109-F236 HydrophobicContact CD2-CE2 4.11Å; R194-F236 HydrophobicContact CB-CZ 4.33Å; F202-F236 AromaticContact CE1-CD1 3.99Å; F202-F236 HydrophobicContact CE1-CD1 3.99Å; F202-F236 HydrophobicContact CE1-CD2 4.35Å; F202-F236 HydrophobicContact CE1-CE1 4.14Å; F202-F236 HydrophobicContact CE1-CE2 4.49Å; F202-F236 HydrophobicContact CE1-CG 4.09Å; F202-F236 HydrophobicContact CE1-CZ 4.39Å; F202-F236 HydrophobicContact CE2-CZ 4.42Å; F202-F236 HydrophobicContact CZ-CD1 4.15Å; F202-F236 HydrophobicContact CZ-CD2 4.02Å; F202-F236 AromaticContact CZ-CE1 3.93Å; F202-F236 HydrophobicContact CZ-CE1 3.93Å; F202-F236 AromaticContact CZ-CE2 3.79Å; F202-F236 HydrophobicContact CZ-CE2 3.79Å; F202-F236 HydrophobicContact CZ-CG 4.19Å; F202-F236 AromaticContact CZ-CZ 3.74Å; F202-F236 HydrophobicContact CZ-CZ 3.74Å; M205-F236 HydrophobicContact CE-CD1 3.75Å; M205-F236 HydrophobicContact CE-CE1 3.92Å; M205-F236 HydrophobicContact SD-CD1 3.88Å; M205-F236 HydrophobicContact SD-CE1 3.7Å; Y219-F236 HydrophobicContact CD2-CB 4.22Å; Y219-F236 HydrophobicContact CD2-CD1 4.5Å; Y219-F236 HydrophobicContact CD2-CD2 4.08Å; Y219-F236 HydrophobicContact CD2-CG 4.01Å; Y219-F236 HydrophobicContact CE2-CB 4.39Å; Y219-F236 AromaticContact CE2-CD2 3.53Å; Y219-F236 HydrophobicContact CE2-CD2 3.53Å; Y219-F236 AromaticContact CE2-CE2 3.93Å; Y219-F236 HydrophobicContact CE2-CE2 3.93Å; Y219-F236 AromaticContact CE2-CG 3.95Å; Y219-F236 HydrophobicContact CE2-CG 3.95Å; Q232-F236 VanDerWaalsContact O-CD2 3.31Å; Q232-F236 WeakPolarHBondContact O-CD2 3.31Å; Q232-F236 PolarHBondContact O-N 2.99Å; A233-F236 PolarHBondContact O-N 2.9Å; K234-F236 VanDerWaalsContact C-N 3.33Å; K234-F236 PolarHBondContact O-N 3.25Å; F236-D238 PolarHBondContact O-N 2.69Å; F236-K239 PolarHBondContact O-N 3.34Å; F236-V240 VanDerWaalsContact O-CG2 3.23Å; F236-V240 WeakPolarHBondContact O-CG2 3.33Å; F236-V240 PolarHBondContact O-N 2.99Å; F236-V242 HydrophobicContact CB-CG2 4.11Å
237K91.9Very high89.8Confident56 Ų5637.5 Ų37.524%0.24321%0.207CC..Hα-helixtrans-64.6-35.6179.9-176.160.5175.3176.20113.6A233 K234 K239 V240 D241 V242 T266A233-K237 WeakPolarHBondContact O-CB 3.36Å; A233-K237 PolarHBondContact O-N 3.34Å; K234-K237 PolarHBondContact O-N 3.11Å; K237-K239 VanDerWaalsContact C-N 3.29Å; K237-K239 PolarHBondContact O-N 3.1Å; K237-V240 CarbonylContact C-O 3.57Å; K237-V240 WeakPolarHBondContact CA-O 3.48Å; K237-V240 VanDerWaalsContact O-O 3.09Å; K237-D241 IonicContact NZ-OD1 2.78Å; K237-D241 PolarHBondContact NZ-OD1 2.82Å; K237-V242 HydrophobicContact CD-CB 4.05Å; K237-V242 WeakPolarHBondContact CD-O 3.29Å; K237-V242 PolarHBondContact NZ-O 3.18Å; K237-T266 HydrophobicContact CB-CG2 4.34Å; K237-T266 WeakPolarHBondContact CE-O 3.39Å
238D91.3Very high90.6Very high106 Ų10634 Ų3457%0.56719%0.191SC*.Hα-helixtrans-70.7-26.6179.5-69.6-16.1000111.8K234 F236K234-D238 VanDerWaalsContact NZ-CG 3.35Å; K234-D238 IonicContact NZ-OD1 3.61Å; K234-D238 PolarHBondContact NZ-OD1 3.48Å; K234-D238 IonicContact NZ-OD2 3.36Å; K234-D238 PolarHBondContact NZ-OD2 2.93Å; K234-D238 WeakPolarHBondContact O-CB 3.48Å; K234-D238 PolarHBondContact O-N 2.62Å; F236-D238 PolarHBondContact O-N 2.69Å
239K90Very high90.9Very high87 Ų8735.5 Ų35.538%0.37819%0.187SC..Hα-helixtrans-100.1-38.9-176.5-75.8-68.9-167168.90113.9F202 E203 A235 F236 K237F202-K239 HydrophobicContact CB-CG 4.47Å; F202-K239 HydrophobicContact CD1-CB 3.7Å; F202-K239 HydrophobicContact CD1-CG 3.7Å; F202-K239 HydrophobicContact CE1-CB 4.33Å; F202-K239 HydrophobicContact CE1-CG 4.43Å; F202-K239 HydrophobicContact CG-CG 4.46Å; E203-K239 IonicContact OE1-NZ 3.96Å; E203-K239 PolarHBondContact OE1-NZ 2.84Å; A235-K239 PolarHBondContact O-N 2.89Å; F236-K239 PolarHBondContact O-N 3.34Å; K237-K239 VanDerWaalsContact C-N 3.29Å; K237-K239 PolarHBondContact O-N 3.1Å
240V90.2Very high90.7Very high5 Ų535.9 Ų35.93%0.0319%0.189CC..SBendtrans-130.3146.3176.6-70.40000109.6M205 L206 A209 I217 F236 K237 V242M205-V240 HydrophobicContact CE-CB 4.34Å; M205-V240 HydrophobicContact CE-CG1 3.79Å; M205-V240 HydrophobicContact CE-CG2 3.58Å; M205-V240 HydrophobicContact CG-CG1 4.21Å; M205-V240 HydrophobicContact SD-CG1 4.47Å; M205-V240 HydrophobicContact SD-CG2 4.12Å; L206-V240 HydrophobicContact CB-CG1 4.49Å; L206-V240 HydrophobicContact CD1-CG1 4.34Å; A209-V240 HydrophobicContact CB-CG1 4.42Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.43Å; F236-V240 VanDerWaalsContact O-CG2 3.23Å; F236-V240 WeakPolarHBondContact O-CG2 3.33Å; F236-V240 PolarHBondContact O-N 2.99Å; K237-V240 CarbonylContact C-O 3.57Å; K237-V240 WeakPolarHBondContact CA-O 3.48Å; K237-V240 VanDerWaalsContact O-O 3.09Å; V240-V242 HydrophobicContact CG2-CG2 4.07Å; V240-V242 PolarHBondContact O-N 3.05Å
241D92.4Very high90.4Very high116 Ų11636.4 Ų36.462%0.6219%0.194SC*.  trans-76.273.8-175.3-169.223.4000112.3K237 A243K237-D241 IonicContact NZ-OD1 2.78Å; K237-D241 PolarHBondContact NZ-OD1 2.82Å; D241-A243 PolarHBondContact O-N 2.89Å; D241-A243 VanDerWaalsContact O-N 3.12Å
242V93.9Very high89.6Confident0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-62.2113.5176176.10000109.2V107 I217 Y219 F236 K237 V240 S268V107-V242 HydrophobicContact CG2-CG2 4.23Å; I217-V242 HydrophobicContact CG2-CG2 4.21Å; Y219-V242 VanDerWaalsContact CB-CG1 3.45Å; F236-V242 HydrophobicContact CB-CG2 4.11Å; K237-V242 HydrophobicContact CD-CB 4.05Å; K237-V242 WeakPolarHBondContact CD-O 3.29Å; K237-V242 PolarHBondContact NZ-O 3.18Å; V240-V242 HydrophobicContact CG2-CG2 4.07Å; V240-V242 PolarHBondContact O-N 3.05Å; V242-S268 PolarHBondContact O-OG 3.06Å
243A93.3Very high88.3Confident32 Ų3243.3 Ų43.326%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-104.1-16.3-178.200000113.2N216 I217 D241 S268 P269N216-A243 WeakPolarHBondContact OD1-CB 3.36Å; I217-A243 PolarHBondContact O-N 3.34Å; D241-A243 PolarHBondContact O-N 2.89Å; D241-A243 VanDerWaalsContact O-N 3.12Å; A243-S268 WeakPolarHBondContact O-CB 2.97Å; A243-P269 WeakPolarHBondContact O-CD 3.32Å
244S94.9Very high87.1Confident0 Ų043.8 Ų43.80%023%0.228CC..EExtended strand (participates in β ladder)trans-142.1154.1-179.2-58.90000112.4N216 I217 V218 Y219N216-S244 PolarHBondContact ND2-OG 3.35Å; N216-S244 VanDerWaalsContact ND2-OG 3.13Å; N216-S244 PolarHBondContact OD1-OG 2.89Å; I217-S244 PolarHBondContact O-N 3.01Å; V218-S244 WeakPolarHBondContact CA-O 3.43Å; Y219-S244 PolarHBondContact N-O 3.23Å
245V94.4Very high85.9Confident0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-120140.2174.9-178.80000110.6Y219 M221 V247 P269 I270 I271Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.49Å; Y219-V245 WeakPolarHBondContact O-CA 3.3Å; M221-V245 HydrophobicContact CG-CG1 3.99Å; M221-V245 HydrophobicContact SD-CG1 4.01Å; V245-V247 HydrophobicContact CG1-CG2 4.38Å; V245-P269 PolarHBondContact N-O 3.48Å; V245-I270 HydrophobicContact CB-CG1 4.19Å; V245-I270 HydrophobicContact CG1-CG1 4.29Å; V245-I270 CarbonylContact O-C 3.58Å; V245-I270 VanDerWaalsContact O-CA 3.3Å; V245-I270 WeakPolarHBondContact O-CA 3.29Å; V245-I271 WeakPolarHBondContact O-CG1 3.42Å; V245-I271 PolarHBondContact O-N 3.14Å
246I94.9Very high84.8Confident0 Ų041.7 Ų41.70%022%0.217CC..EExtended strand (participates in β ladder)trans-120.7133166.5-64.7178000109.1F106 T117 V218 Y219 M221 T248 I271 F272 F282F106-I246 HydrophobicContact CE1-CD1 4.01Å; F106-I246 HydrophobicContact CZ-CD1 4Å; T117-I246 HydrophobicContact CG2-CB 4.39Å; T117-I246 HydrophobicContact CG2-CD1 3.74Å; T117-I246 HydrophobicContact CG2-CG2 3.69Å; V218-I246 HydrophobicContact CG1-CB 4.2Å; V218-I246 HydrophobicContact CG1-CD1 3.56Å; V218-I246 HydrophobicContact CG1-CG1 3.56Å; Y219-I246 PolarHBondContact O-N 3.32Å; M221-I246 WeakPolarHBondContact CG-O 3.35Å; M221-I246 PolarHBondContact N-O 3.24Å; I246-T248 HydrophobicContact CG2-CG2 4.27Å; I246-I271 HydrophobicContact CD1-CD1 4.27Å; I246-I271 HydrophobicContact CD1-CG1 4.41Å; I246-I271 HydrophobicContact CG1-CD1 4.12Å; I246-I271 HydrophobicContact CG1-CG1 3.78Å; I246-F272 HydrophobicContact CD1-CB 4.27Å; I246-F272 HydrophobicContact CD1-CD2 4.39Å; I246-F272 HydrophobicContact CG1-CB 4.08Å; I246-F272 HydrophobicContact CG2-CB 4.32Å; I246-F282 HydrophobicContact CD1-CE2 4.32Å; I246-F282 HydrophobicContact CD1-CZ 3.98Å; I246-F282 HydrophobicContact CG2-CE2 4.09Å
247V91.9Very high83.9Confident3 Ų341.7 Ų41.72%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-106.1120.2178.7-172.70000109.5M221 A223 V245 L250 A259 I270 F272 I273 G274M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG2 4.05Å; M221-V247 WeakPolarHBondContact O-CA 3.44Å; M221-V247 HydrophobicContact SD-CG2 4.09Å; A223-V247 HydrophobicContact CB-CG1 3.87Å; V245-V247 HydrophobicContact CG1-CG2 4.38Å; V247-L250 HydrophobicContact CB-CD1 4.06Å; V247-L250 HydrophobicContact CG1-CD1 3.84Å; V247-L250 HydrophobicContact CG1-CD2 4.03Å; V247-L250 HydrophobicContact CG1-CG 3.96Å; V247-A259 HydrophobicContact CG1-CB 4.2Å; V247-A259 HydrophobicContact CG2-CB 3.69Å; V247-I270 HydrophobicContact CG2-CD1 4.06Å; V247-I270 HydrophobicContact CG2-CG1 4.34Å; V247-I270 HydrophobicContact CG2-CG2 3.96Å; V247-F272 PolarHBondContact N-O 2.94Å; V247-I273 HydrophobicContact CB-CG2 4.37Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.32Å; V247-I273 WeakPolarHBondContact O-CA 3.25Å; V247-G274 PolarHBondContact O-N 3.45Å
248T92.3Very high83.2Confident8 Ų839 Ų395%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-105.5170-177670000112S112 T117 V220 M221 A223 I246 L250S112-T248 PolarHBondContact O-OG1 3.14Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.34Å; V220-T248 HydrophobicContact CG1-CG2 3.52Å; M221-T248 PolarHBondContact O-N 3.32Å; M221-T248 PolarHBondContact O-OG1 2.88Å; A223-T248 WeakPolarHBondContact CB-O 3.44Å; A223-T248 PolarHBondContact N-O 3.49Å; I246-T248 HydrophobicContact CG2-CG2 4.27Å; T248-L250 VanDerWaalsContact C-N 3.28Å; T248-L250 PolarHBondContact O-N 3.27Å
249K88.9Confident82.6Confident92 Ų9234.5 Ų34.540%0.418%0.183SC..  trans58.933.5174.8-51.5-173.7-163.8164.30114.3G111 D222 D251 G252 G274G111-K249 PolarHBondContact O-NZ 3.3Å; D222-K249 WeakPolarHBondContact OD2-CD 3.15Å; D222-K249 VanDerWaalsContact OD2-CE 3.32Å; D222-K249 WeakPolarHBondContact OD2-CE 3.43Å; D222-K249 IonicContact OD2-NZ 2.68Å; D222-K249 PolarHBondContact OD2-NZ 3.31Å; K249-D251 VanDerWaalsContact C-OD1 3.3Å; K249-D251 VanDerWaalsContact CA-OD1 3.31Å; K249-D251 WeakPolarHBondContact CA-OD1 3.43Å; K249-D251 PolarHBondContact O-N 3.22Å; K249-G252 PolarHBondContact O-N 2.9Å; K249-G274 PolarHBondContact N-O 3.15Å
250L81.9Confident81.9Confident8 Ų831.2 Ų31.24%0.04217%0.169CC..THydrogen-bonded Turntrans-76.3-11.3179-74.9166000113.5M1 L3 A223 V247 T248 G252 I273 G274M1-L250 WeakPolarHBondContact CE-O 3.37Å; L3-L250 HydrophobicContact CD1-CD2 3.8Å; A223-L250 HydrophobicContact CB-CD2 3.5Å; A223-L250 VanDerWaalsContact CB-CD2 3.5Å; A223-L250 HydrophobicContact CB-CG 3.94Å; V247-L250 HydrophobicContact CB-CD1 4.06Å; V247-L250 HydrophobicContact CG1-CD1 3.84Å; V247-L250 HydrophobicContact CG1-CD2 4.03Å; V247-L250 HydrophobicContact CG1-CG 3.96Å; T248-L250 VanDerWaalsContact C-N 3.28Å; T248-L250 PolarHBondContact O-N 3.27Å; L250-G252 VanDerWaalsContact C-N 3.33Å; L250-I273 HydrophobicContact CD1-CB 3.51Å; L250-I273 HydrophobicContact CD1-CG2 3.35Å; L250-G274 PolarHBondContact N-O 2.83Å
251D77.8Confident81.5Confident72 Ų7231 Ų3139%0.38517%0.168SC..THydrogen-bonded Turntrans-70.1-26.4168.952.4-60.4000113.7K249 T275 G276K249-D251 VanDerWaalsContact C-OD1 3.3Å; K249-D251 VanDerWaalsContact CA-OD1 3.31Å; K249-D251 WeakPolarHBondContact CA-OD1 3.43Å; K249-D251 PolarHBondContact O-N 3.22Å; D251-T275 WeakPolarHBondContact CB-O 3.45Å; D251-G276 PolarHBondContact OD1-N 2.69Å
252G71.5Confident81Confident27 Ų2725.4 Ų25.428%0.27814%0.138SC..SBendtrans-77.1-163.3-175.700000115.2K249 L250 A254K249-G252 PolarHBondContact O-N 2.9Å; L250-G252 VanDerWaalsContact C-N 3.33Å; G252-A254 PolarHBondContact O-N 3.3Å
253H62.1Low80.6Confident169 Ų16925.6 Ų25.678%0.78214%0.139SC*.SBendtrans-8215171.5-68-78.6000113.3V2V2-H253 VanDerWaalsContact CG2-C 3.49Å; V2-H253 VanDerWaalsContact CG2-CA 3.45Å; V2-H253 HydrophobicContact CG2-CB 3.89Å; V2-H253 VanDerWaalsContact CG2-O 3.25Å; V2-H253 WeakPolarHBondContact CG2-O 3.23Å
254A63.5Low79.9Confident10 Ų1025.1 Ų25.18%0.08314%0.135CC..  trans-70133.2-179.700000111.1V2 A223 G252V2-A254 WeakPolarHBondContact CB-O 3.5Å; A223-A254 HydrophobicContact CB-CB 3.51Å; G252-A254 PolarHBondContact O-N 3.3Å
255K64.8Low79.4Confident75 Ų7526.2 Ų26.233%0.32614%0.144SC..  trans-79.4-17.6-175.9-66.3154.8170.8-169.50113.9V2 E41 A42 D43 G257V2-K255 HydrophobicContact CG1-CB 4.04Å; V2-K255 HydrophobicContact CG1-CG 3.42Å; V2-K255 VanDerWaalsContact CG1-CG 3.42Å; E41-K255 WeakPolarHBondContact O-CD 3.4Å; E41-K255 WeakPolarHBondContact O-CE 3.3Å; E41-K255 PolarHBondContact O-NZ 3.32Å; A42-K255 HydrophobicContact CB-CB 4.01Å; A42-K255 WeakPolarHBondContact O-CB 3.49Å; D43-K255 HydrophobicContact CB-CD 4.49Å; D43-K255 WeakPolarHBondContact OD2-CD 3.22Å; D43-K255 IonicContact OD2-NZ 3.65Å; D43-K255 PolarHBondContact OD2-NZ 3.04Å; K255-G257 PolarHBondContact O-N 3.42Å; K255-G257 VanDerWaalsContact O-N 3.12Å
256G68.8Low79.1Confident8 Ų826.3 Ų26.38%0.08215%0.145CC..  trans72.7-3.3174.400000115.1A223 G258 A259A223-G256 PolarHBondContact O-N 3.48Å; A223-G256 VanDerWaalsContact O-N 3.13Å; G256-G258 PolarHBondContact O-N 3.2Å; G256-A259 WeakPolarHBondContact O-CB 3.36Å; G256-A259 PolarHBondContact O-N 3.29Å
257G71.8Confident78.8Confident2 Ų232.7 Ų32.72%0.02117%0.173CC..Hα-helixtrans-64.7-22.4179.300000114.4A42 K255 A259 L260 S261A42-G257 WeakPolarHBondContact O-CA 3.38Å; A42-G257 PolarHBondContact O-N 3.45Å; K255-G257 PolarHBondContact O-N 3.42Å; K255-G257 VanDerWaalsContact O-N 3.12Å; G257-A259 PolarHBondContact O-N 2.67Å; G257-L260 PolarHBondContact O-N 2.69Å; G257-S261 PolarHBondContact O-N 2.83Å; G257-S261 PolarHBondContact O-OG 2.94Å
258G75.9Confident78.8Confident0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-58.8-34.2169.400000113I225 C229 G256 L260 S261 A262I225-G258 VanDerWaalsContact O-CA 3.3Å; I225-G258 WeakPolarHBondContact O-CA 3.39Å; C229-G258 PolarHBondContact SG-O 3.39Å; G256-G258 PolarHBondContact O-N 3.2Å; G258-L260 PolarHBondContact O-N 2.87Å; G258-S261 WeakPolarHBondContact O-CB 3.37Å; G258-S261 PolarHBondContact O-N 2.76Å; G258-S261 VanDerWaalsContact O-N 3.11Å; G258-A262 PolarHBondContact O-N 2.96Å
259A79Confident78.8Confident10 Ų1033 Ų338%0.08318%0.175CC..Hα-helixtrans-63.8-41.7-177.700000112.1M221 V247 G256 G257 S261 A262 V263 I270M221-A259 HydrophobicContact CE-CB 4.14Å; M221-A259 VanDerWaalsContact CE-N 3.28Å; M221-A259 HydrophobicContact SD-CB 4.29Å; V247-A259 HydrophobicContact CG1-CB 4.2Å; V247-A259 HydrophobicContact CG2-CB 3.69Å; G256-A259 WeakPolarHBondContact O-CB 3.36Å; G256-A259 PolarHBondContact O-N 3.29Å; G257-A259 PolarHBondContact O-N 2.67Å; A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 2.83Å; A259-A262 PolarHBondContact O-N 2.89Å; A259-V263 WeakPolarHBondContact O-CG2 3.37Å; A259-V263 PolarHBondContact O-N 3.17Å; A259-I270 HydrophobicContact CB-CD1 4.14Å
260L76.6Confident78.9Confident18 Ų1829.1 Ų29.19%0.09416%0.159CC..Hα-helixtrans-58.9-42.2173.8-60.1-179.1000111.3V44 V87 G257 G258 A264V44-L260 HydrophobicContact CG1-CD1 3.94Å; V44-L260 HydrophobicContact CG2-CD1 3.8Å; V87-L260 HydrophobicContact CB-CD2 4.04Å; V87-L260 HydrophobicContact CG1-CD2 4.31Å; V87-L260 HydrophobicContact CG2-CD2 3.12Å; G257-L260 PolarHBondContact O-N 2.69Å; G258-L260 PolarHBondContact O-N 2.87Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 3Å
261S80.6Confident79.5Confident0 Ų029.7 Ų29.70%016%0.162CC..Hα-helixtrans-69.7-35.5-179.5-52.20000112G257 G258 A259 A265G257-S261 PolarHBondContact O-N 2.83Å; G257-S261 PolarHBondContact O-OG 2.94Å; G258-S261 WeakPolarHBondContact O-CB 3.37Å; G258-S261 PolarHBondContact O-N 2.76Å; G258-S261 VanDerWaalsContact O-N 3.11Å; A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 2.83Å; S261-A265 WeakPolarHBondContact O-CB 3.43Å; S261-A265 PolarHBondContact O-N 2.87Å; S261-A265 VanDerWaalsContact O-N 3.13Å
262A83.1Confident80.3Confident0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-66.5-48.7175.700000111.6Y219 M221 A233 G258 A259 A264 A265 T266Y219-A262 HydrophobicContact CE1-CB 4.45Å; M221-A262 HydrophobicContact CE-CB 4.46Å; M221-A262 HydrophobicContact SD-CB 3.37Å; M221-A262 WeakPolarHBondContact SD-CB 3.28Å; A233-A262 HydrophobicContact CB-CB 4.13Å; G258-A262 PolarHBondContact O-N 2.96Å; A259-A262 PolarHBondContact O-N 2.89Å; A262-A264 VanDerWaalsContact C-N 3.31Å; A262-A264 PolarHBondContact O-N 2.92Å; A262-A265 PolarHBondContact O-N 2.89Å; A262-A265 VanDerWaalsContact O-N 3.14Å; A262-T266 WeakPolarHBondContact O-CG2 3.44Å; A262-T266 PolarHBondContact O-N 3.24Å; A262-T266 PolarHBondContact O-OG1 3.05Å
263V84.1Confident81.2Confident3 Ų326.4 Ų26.42%0.01814%0.137CC..Hα-helixtrans-60.1-44177.9175.60000111V87 P89 A259 A265 K267 I270V87-V263 WeakPolarHBondContact O-CG1 3.36Å; P89-V263 HydrophobicContact CB-CG1 4.02Å; P89-V263 HydrophobicContact CG-CG1 4.08Å; A259-V263 WeakPolarHBondContact O-CG2 3.37Å; A259-V263 PolarHBondContact O-N 3.17Å; V263-A265 PolarHBondContact O-N 3.5Å; V263-K267 WeakPolarHBondContact O-CA 3.36Å; V263-K267 PolarHBondContact O-N 3.25Å; V263-I270 HydrophobicContact CG2-CD1 3.59Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å
264A79.9Confident82.6Confident22 Ų2218.6 Ų18.618%0.18210%0.102CC..Hα-helixtrans-60-36.3178.200000112.4L48 L260 A262 K267L48-A264 HydrophobicContact CD1-CB 3.87Å; L48-A264 HydrophobicContact CD2-CB 3.89Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 3Å; A262-A264 VanDerWaalsContact C-N 3.31Å; A262-A264 PolarHBondContact O-N 2.92Å; A264-K267 WeakPolarHBondContact O-CD 3.41Å; A264-K267 VanDerWaalsContact O-CE 3.25Å; A264-K267 WeakPolarHBondContact O-CE 3.48Å; A264-K267 PolarHBondContact O-NZ 2.85Å
265A84.6Confident83.7Confident23 Ų2319.7 Ų19.719%0.1911%0.108CC..Hα-helixtrans-81-44.5-179.400000113.6E230 A233 K234 S261 A262 V263E230-A265 HydrophobicContact CG-CB 4.13Å; A233-A265 HydrophobicContact CB-CB 4.13Å; K234-A265 HydrophobicContact CB-CB 4.34Å; S261-A265 WeakPolarHBondContact O-CB 3.43Å; S261-A265 PolarHBondContact O-N 2.87Å; S261-A265 VanDerWaalsContact O-N 3.13Å; A262-A265 PolarHBondContact O-N 2.89Å; A262-A265 VanDerWaalsContact O-N 3.14Å; V263-A265 PolarHBondContact O-N 3.5Å
266T87.4Confident84.8Confident3 Ų316.8 Ų16.82%0.01810%0.099CC..Hα-helixtrans-84.2-24-175.260.40000113.2A233 K237 A262 S268A233-T266 HydrophobicContact CB-CG2 3.8Å; K237-T266 HydrophobicContact CB-CG2 4.34Å; K237-T266 WeakPolarHBondContact CE-O 3.39Å; A262-T266 WeakPolarHBondContact O-CG2 3.44Å; A262-T266 PolarHBondContact O-N 3.24Å; A262-T266 PolarHBondContact O-OG1 3.05Å; T266-S268 PolarHBondContact O-N 3.3Å; T266-S268 PolarHBondContact O-OG 2.92Å; T266-S268 WeakPolarHBondContact OG1-CB 3.26Å; T266-S268 PolarHBondContact OG1-N 2.82Å; T266-S268 VanDerWaalsContact OG1-N 3.16Å
267K89Confident85.7Confident134 Ų13424.7 Ų24.758%0.58313%0.134SC*.  trans57.222.2-166.9-52.5-54.8-172.2-164.40113.2P89 V263 A264P89-K267 WeakPolarHBondContact CB-O 3.38Å; V263-K267 WeakPolarHBondContact O-CA 3.36Å; V263-K267 PolarHBondContact O-N 3.25Å; A264-K267 WeakPolarHBondContact O-CD 3.41Å; A264-K267 VanDerWaalsContact O-CE 3.25Å; A264-K267 WeakPolarHBondContact O-CE 3.48Å; A264-K267 PolarHBondContact O-NZ 2.85Å
268S91.4Very high86.6Confident5 Ų531.1 Ų31.14%0.03516%0.163CC..  trans-107.9137.8-176.8-58.60000110.2V242 A243 T266V242-S268 PolarHBondContact O-OG 3.06Å; A243-S268 WeakPolarHBondContact O-CB 2.97Å; T266-S268 PolarHBondContact O-N 3.3Å; T266-S268 PolarHBondContact O-OG 2.92Å; T266-S268 WeakPolarHBondContact OG1-CB 3.26Å; T266-S268 PolarHBondContact OG1-N 2.82Å; T266-S268 VanDerWaalsContact OG1-N 3.16Å
269P92.3Very high87.2Confident12 Ų1233.4 Ų33.48%0.07818%0.175CC..  trans-69.2147.1-177.727.8-34.6000111.5P89 A93 A243 V245P89-P269 HydrophobicContact CG-CB 3.99Å; A93-P269 HydrophobicContact CB-CG 4.22Å; A243-P269 WeakPolarHBondContact O-CD 3.32Å; V245-P269 PolarHBondContact N-O 3.48Å
270I91.8Very high87.6Confident11 Ų1137.3 Ų37.36%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-75.8124.1166.2-55.9167.5000107.3V87 V245 V247 A259 V263 F285V87-I270 HydrophobicContact CG1-CD1 4.21Å; V245-I270 HydrophobicContact CB-CG1 4.19Å; V245-I270 HydrophobicContact CG1-CG1 4.29Å; V245-I270 CarbonylContact O-C 3.58Å; V245-I270 VanDerWaalsContact O-CA 3.3Å; V245-I270 WeakPolarHBondContact O-CA 3.29Å; V247-I270 HydrophobicContact CG2-CD1 4.06Å; V247-I270 HydrophobicContact CG2-CG1 4.34Å; V247-I270 HydrophobicContact CG2-CG2 3.96Å; A259-I270 HydrophobicContact CB-CD1 4.14Å; V263-I270 HydrophobicContact CG2-CD1 3.59Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å; I270-F285 HydrophobicContact CB-CB 4.34Å; I270-F285 HydrophobicContact CB-CD1 3.54Å; I270-F285 HydrophobicContact CB-CE1 3.86Å; I270-F285 HydrophobicContact CB-CG 3.88Å; I270-F285 HydrophobicContact CB-CZ 4.46Å; I270-F285 HydrophobicContact CD1-CE1 4.12Å; I270-F285 HydrophobicContact CD1-CE2 4.44Å; I270-F285 HydrophobicContact CD1-CZ 4.03Å; I270-F285 HydrophobicContact CG2-CB 3.74Å; I270-F285 HydrophobicContact CG2-CD1 3.79Å; I270-F285 HydrophobicContact CG2-CD2 3.95Å; I270-F285 HydrophobicContact CG2-CE1 4.35Å; I270-F285 HydrophobicContact CG2-CE2 4.48Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.45Å
271I93.5Very high88.2Confident19 Ų1938.4 Ų38.410%0.09720%0.201CC..EExtended strand (participates in β ladder)trans-101.2-32.4-176.254.8164.7000112.8A93 V218 V245 I246 F285A93-I271 HydrophobicContact CB-CG2 3.64Å; V218-I271 HydrophobicContact CG2-CD1 4.23Å; V245-I271 WeakPolarHBondContact O-CG1 3.42Å; V245-I271 PolarHBondContact O-N 3.14Å; I246-I271 HydrophobicContact CD1-CD1 4.27Å; I246-I271 HydrophobicContact CD1-CG1 4.41Å; I246-I271 HydrophobicContact CG1-CD1 4.12Å; I246-I271 HydrophobicContact CG1-CG1 3.78Å; I271-F285 PolarHBondContact O-N 2.85Å
272F93.9Very high88.8Confident12 Ų1239 Ų395%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-146.3159.7-179.1-69.3-87.7000112.1L121 F124 I246 V247 F282 E283 P284L121-F272 HydrophobicContact CD1-CD2 3.94Å; L121-F272 HydrophobicContact CD1-CE2 3.54Å; L121-F272 HydrophobicContact CD1-CZ 3.92Å; F124-F272 AromaticContact CD1-CE1 3.98Å; F124-F272 HydrophobicContact CD1-CE1 3.98Å; F124-F272 AromaticContact CD1-CZ 3.9Å; F124-F272 HydrophobicContact CD1-CZ 3.9Å; F124-F272 HydrophobicContact CD2-CE1 4.33Å; F124-F272 AromaticContact CE1-CE1 3.64Å; F124-F272 HydrophobicContact CE1-CE1 3.64Å; F124-F272 AromaticContact CE1-CZ 3.51Å; F124-F272 HydrophobicContact CE1-CZ 3.51Å; F124-F272 HydrophobicContact CE2-CE1 4.01Å; F124-F272 HydrophobicContact CG-CE1 4.29Å; F124-F272 AromaticContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CE1 3.62Å; F124-F272 AromaticContact CZ-CZ 3.92Å; F124-F272 HydrophobicContact CZ-CZ 3.92Å; I246-F272 HydrophobicContact CD1-CB 4.27Å; I246-F272 HydrophobicContact CD1-CD2 4.39Å; I246-F272 HydrophobicContact CG1-CB 4.08Å; I246-F272 HydrophobicContact CG2-CB 4.32Å; V247-F272 PolarHBondContact N-O 2.94Å; F272-F282 HydrophobicContact CB-CD2 4.33Å; F272-F282 HydrophobicContact CB-CE1 3.83Å; F272-F282 HydrophobicContact CB-CE2 3.47Å; F272-F282 VanDerWaalsContact CB-CE2 3.47Å; F272-F282 HydrophobicContact CB-CZ 3.18Å; F272-F282 AromaticContact CD1-CD1 3.76Å; F272-F282 HydrophobicContact CD1-CD1 3.76Å; F272-F282 AromaticContact CD1-CE1 3.2Å; F272-F282 HydrophobicContact CD1-CE1 3.2Å; F272-F282 HydrophobicContact CD1-CE2 4.34Å; F272-F282 AromaticContact CD1-CZ 3.56Å; F272-F282 HydrophobicContact CD1-CZ 3.56Å; F272-F282 AromaticContact CD2-CE1 3.92Å; F272-F282 HydrophobicContact CD2-CE1 3.92Å; F272-F282 AromaticContact CD2-CZ 3.73Å; F272-F282 HydrophobicContact CD2-CZ 3.73Å; F272-F282 HydrophobicContact CE1-CD1 4.18Å; F272-F282 AromaticContact CE1-CE1 3.64Å; F272-F282 HydrophobicContact CE1-CE1 3.64Å; F272-F282 HydrophobicContact CE1-CZ 4.35Å; F272-F282 HydrophobicContact CE2-CE1 4.31Å; F272-F282 HydrophobicContact CG-CD1 4.3Å; F272-F282 AromaticContact CG-CE1 3.38Å; F272-F282 HydrophobicContact CG-CE1 3.38Å; F272-F282 HydrophobicContact CG-CE2 4.01Å; F272-F282 AromaticContact CG-CZ 3.21Å; F272-F282 HydrophobicContact CG-CZ 3.21Å; F272-F282 HydrophobicContact CZ-CE1 4.18Å; F272-E283 WeakPolarHBondContact CA-O 3.41Å; F272-E283 WeakPolarHBondContact CD1-O 3.23Å; F272-P284 HydrophobicContact CD1-CB 4.34Å; F272-P284 HydrophobicContact CE1-CB 4.16Å
273I91.1Very high89Confident19 Ų1941.2 Ų41.210%0.09721%0.213CC..EExtended strand (participates in β ladder)trans-124.8135.8171.851.6169.4000111.1V247 L250 T275 E283 F285V247-I273 HydrophobicContact CB-CG2 4.37Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.32Å; V247-I273 WeakPolarHBondContact O-CA 3.25Å; L250-I273 HydrophobicContact CD1-CB 3.51Å; L250-I273 HydrophobicContact CD1-CG2 3.35Å; I273-T275 HydrophobicContact CD1-CG2 4.07Å; I273-T275 HydrophobicContact CG1-CG2 4.31Å; I273-E283 HydrophobicContact CD1-CB 4.4Å; I273-E283 HydrophobicContact CG1-CB 4.01Å; I273-E283 WeakPolarHBondContact CG1-O 3.27Å; I273-E283 PolarHBondContact N-O 3.38Å; I273-E283 PolarHBondContact O-N 3.49Å; I273-F285 HydrophobicContact CG2-CB 4.26Å; I273-F285 HydrophobicContact CG2-CD2 3.54Å; I273-F285 HydrophobicContact CG2-CE2 4.34Å; I273-F285 HydrophobicContact CG2-CG 4.31Å
274G91Very high89.3Confident4 Ų444.1 Ų44.14%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-93.9118.5170.900000110.4V247 K249 L250V247-G274 PolarHBondContact O-N 3.45Å; K249-G274 PolarHBondContact N-O 3.15Å; L250-G274 PolarHBondContact N-O 2.83Å
275T86.8Confident89.7Confident33 Ų3344.1 Ų44.120%0.20223%0.228CC..  trans-114.524.6-171.750.40000112.9D251 I273 D281D251-T275 WeakPolarHBondContact CB-O 3.45Å; I273-T275 HydrophobicContact CD1-CG2 4.07Å; I273-T275 HydrophobicContact CG1-CG2 4.31Å; T275-D281 PolarHBondContact N-O 3.28Å
276G87.7Confident89.6Confident15 Ų1547.2 Ų47.216%0.15524%0.238CC..SBendtrans162.4-174.2179.900000112.3K120 D251 D281K120-G276 PolarHBondContact NZ-O 3.43Å; D251-G276 PolarHBondContact OD1-N 2.69Å; G276-D281 VanDerWaalsContact CA-OD2 3.29Å; G276-D281 WeakPolarHBondContact CA-OD2 3.35Å
277E88.9Confident89.3Confident173 Ų17348.4 Ų48.481%0.80825%0.245SC*.SBendtrans-93.6-22.8-179.8-64.2-167.817000113.2D281E277-D281 PolarHBondContact N-OD2 2.82Å
278H89.2Confident88.9Confident138 Ų13846.5 Ų46.564%0.63924%0.238SC*.SBendtrans-70.1155.4-178.7-56.8-67.3000111K120 D280 D281K120-H278 WeakPolarHBondContact CE-O 2.99Å; K120-H278 PolarHBondContact NZ-O 3.35Å; H278-D280 PolarHBondContact O-N 2.84Å; H278-D281 WeakPolarHBondContact CA-OD2 3.33Å; H278-D281 VanDerWaalsContact CB-OD2 3.22Å; H278-D281 WeakPolarHBondContact CB-OD2 3.35Å; H278-D281 IonicContact CD2-OD2 3.89Å; H278-D281 PolarHBondContact CD2-OD2 2.81Å; H278-D281 IonicContact CG-OD2 3.47Å; H278-D281 PolarHBondContact N-OD2 3.47Å; H278-D281 WeakPolarHBondContact O-CB 3.47Å; H278-D281 PolarHBondContact O-N 2.91Å; H278-D281 VanDerWaalsContact O-N 3.07Å
279I89.8Confident88.2Confident47 Ų4746.9 Ų46.924%0.24124%0.24CC..THydrogen-bonded Turntrans-63.4-25.6-176.9-161.4167.6000112.9Y123 A155Y123-I279 HydrophobicContact CD1-CG1 4.19Å; Y123-I279 HydrophobicContact CD1-CG2 4.45Å; Y123-I279 HydrophobicContact CD2-CD1 4.07Å; Y123-I279 HydrophobicContact CE1-CG2 4.5Å; Y123-I279 HydrophobicContact CG-CD1 3.88Å; Y123-I279 HydrophobicContact CG-CG1 3.94Å; A155-I279 HydrophobicContact CB-CD1 3.27Å
280D87.2Confident87.5Confident93 Ų9348.2 Ų48.250%0.49725%0.245SC..THydrogen-bonded Turntrans-85.9-11.8179.8-56.5-33.8000112.7Y123 H278 F282Y123-D280 WeakPolarHBondContact CE1-OD1 3.38Å; H278-D280 PolarHBondContact O-N 2.84Å; D280-F282 PolarHBondContact O-N 2.87Å
281D89.9Confident86.9Confident41 Ų4147.8 Ų47.822%0.21924%0.243CC..  trans-81.660.9-177.7-54-25000110.6K120 T275 G276 E277 H278K120-D281 PolarHBondContact NZ-O 3.24Å; T275-D281 PolarHBondContact N-O 3.28Å; G276-D281 VanDerWaalsContact CA-OD2 3.29Å; G276-D281 WeakPolarHBondContact CA-OD2 3.35Å; E277-D281 PolarHBondContact N-OD2 2.82Å; H278-D281 WeakPolarHBondContact CA-OD2 3.33Å; H278-D281 VanDerWaalsContact CB-OD2 3.22Å; H278-D281 WeakPolarHBondContact CB-OD2 3.35Å; H278-D281 IonicContact CD2-OD2 3.89Å; H278-D281 PolarHBondContact CD2-OD2 2.81Å; H278-D281 IonicContact CG-OD2 3.47Å; H278-D281 PolarHBondContact N-OD2 3.47Å; H278-D281 WeakPolarHBondContact O-CB 3.47Å; H278-D281 PolarHBondContact O-N 2.91Å; H278-D281 VanDerWaalsContact O-N 3.07Å
282F92.3Very high86.1Confident13 Ų1348 Ų486%0.05725%0.245CC..EExtended strand (participates in β ladder)trans-145.7113-175.3-166.8-115.2000110.4T117 K120 L121 F124 I246 F272 D280T117-F282 HydrophobicContact CG2-CE2 3.77Å; T117-F282 HydrophobicContact CG2-CZ 4.28Å; K120-F282 HydrophobicContact CB-CB 3.87Å; K120-F282 HydrophobicContact CB-CD1 4.16Å; K120-F282 HydrophobicContact CB-CD2 3.92Å; K120-F282 HydrophobicContact CB-CE2 4.47Å; K120-F282 HydrophobicContact CB-CG 3.72Å; K120-F282 HydrophobicContact CD-CB 4.1Å; K120-F282 HydrophobicContact CD-CD2 4.07Å; K120-F282 HydrophobicContact CD-CG 4.35Å; K120-F282 HydrophobicContact CG-CB 4.22Å; K120-F282 HydrophobicContact CG-CG 4.49Å; L121-F282 HydrophobicContact CB-CE1 4.17Å; L121-F282 HydrophobicContact CB-CZ 4.28Å; L121-F282 HydrophobicContact CD1-CE1 3.63Å; L121-F282 HydrophobicContact CD1-CZ 3.97Å; F124-F282 HydrophobicContact CB-CD1 4.13Å; F124-F282 HydrophobicContact CB-CE1 4.49Å; F124-F282 HydrophobicContact CG-CD1 4.45Å; I246-F282 HydrophobicContact CD1-CE2 4.32Å; I246-F282 HydrophobicContact CD1-CZ 3.98Å; I246-F282 HydrophobicContact CG2-CE2 4.09Å; F272-F282 HydrophobicContact CB-CD2 4.33Å; F272-F282 HydrophobicContact CB-CE1 3.83Å; F272-F282 HydrophobicContact CB-CE2 3.47Å; F272-F282 VanDerWaalsContact CB-CE2 3.47Å; F272-F282 HydrophobicContact CB-CZ 3.18Å; F272-F282 AromaticContact CD1-CD1 3.76Å; F272-F282 HydrophobicContact CD1-CD1 3.76Å; F272-F282 AromaticContact CD1-CE1 3.2Å; F272-F282 HydrophobicContact CD1-CE1 3.2Å; F272-F282 HydrophobicContact CD1-CE2 4.34Å; F272-F282 AromaticContact CD1-CZ 3.56Å; F272-F282 HydrophobicContact CD1-CZ 3.56Å; F272-F282 AromaticContact CD2-CE1 3.92Å; F272-F282 HydrophobicContact CD2-CE1 3.92Å; F272-F282 AromaticContact CD2-CZ 3.73Å; F272-F282 HydrophobicContact CD2-CZ 3.73Å; F272-F282 HydrophobicContact CE1-CD1 4.18Å; F272-F282 AromaticContact CE1-CE1 3.64Å; F272-F282 HydrophobicContact CE1-CE1 3.64Å; F272-F282 HydrophobicContact CE1-CZ 4.35Å; F272-F282 HydrophobicContact CE2-CE1 4.31Å; F272-F282 HydrophobicContact CG-CD1 4.3Å; F272-F282 AromaticContact CG-CE1 3.38Å; F272-F282 HydrophobicContact CG-CE1 3.38Å; F272-F282 HydrophobicContact CG-CE2 4.01Å; F272-F282 AromaticContact CG-CZ 3.21Å; F272-F282 HydrophobicContact CG-CZ 3.21Å; F272-F282 HydrophobicContact CZ-CE1 4.18Å; D280-F282 PolarHBondContact O-N 2.87Å
283E87.6Confident84.9Confident46 Ų4651.5 Ų51.522%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-122142.2-171.5-58.1-176.8170.900110.6F272 I273 F285 K306 Q347F272-E283 WeakPolarHBondContact CA-O 3.41Å; F272-E283 WeakPolarHBondContact CD1-O 3.23Å; I273-E283 HydrophobicContact CD1-CB 4.4Å; I273-E283 HydrophobicContact CG1-CB 4.01Å; I273-E283 WeakPolarHBondContact CG1-O 3.27Å; I273-E283 PolarHBondContact N-O 3.38Å; I273-E283 PolarHBondContact O-N 3.49Å; E283-F285 PolarHBondContact O-N 2.78Å; E283-K306 IonicContact OE1-NZ 3.58Å; E283-K306 PolarHBondContact OE1-NZ 3.29Å; E283-Q347 PolarHBondContact OE1-NE2 3.47Å
284P90.1Very high84Confident64 Ų6451.2 Ų51.242%0.41626%0.26SS..EExtended strand (participates in β ladder)trans-63137.3173.827.1-33.2000110F272F272-P284 HydrophobicContact CD1-CB 4.34Å; F272-P284 HydrophobicContact CE1-CB 4.16Å
285F87.5Confident83Confident22 Ų2251.2 Ų51.210%0.09626%0.258CS..  trans-84.3128.7177.9-177.1-97.2000110.6V87 I270 I271 I273 E283 T287 F290V87-F285 HydrophobicContact CG1-CE1 3.93Å; V87-F285 HydrophobicContact CG1-CZ 3.67Å; I270-F285 HydrophobicContact CB-CB 4.34Å; I270-F285 HydrophobicContact CB-CD1 3.54Å; I270-F285 HydrophobicContact CB-CE1 3.86Å; I270-F285 HydrophobicContact CB-CG 3.88Å; I270-F285 HydrophobicContact CB-CZ 4.46Å; I270-F285 HydrophobicContact CD1-CE1 4.12Å; I270-F285 HydrophobicContact CD1-CE2 4.44Å; I270-F285 HydrophobicContact CD1-CZ 4.03Å; I270-F285 HydrophobicContact CG2-CB 3.74Å; I270-F285 HydrophobicContact CG2-CD1 3.79Å; I270-F285 HydrophobicContact CG2-CD2 3.95Å; I270-F285 HydrophobicContact CG2-CE1 4.35Å; I270-F285 HydrophobicContact CG2-CE2 4.48Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.45Å; I271-F285 PolarHBondContact O-N 2.85Å; I273-F285 HydrophobicContact CG2-CB 4.26Å; I273-F285 HydrophobicContact CG2-CD2 3.54Å; I273-F285 HydrophobicContact CG2-CE2 4.34Å; I273-F285 HydrophobicContact CG2-CG 4.31Å; E283-F285 PolarHBondContact O-N 2.78Å; F285-T287 WeakPolarHBondContact CE1-OG1 3.18Å; F285-F290 HydrophobicContact CD2-CB 4.43Å; F285-F290 HydrophobicContact CD2-CD2 4.4Å; F285-F290 HydrophobicContact CD2-CG 4.42Å; F285-F290 HydrophobicContact CE2-CB 3.65Å; F285-F290 AromaticContact CE2-CD1 3.83Å; F285-F290 HydrophobicContact CE2-CD1 3.83Å; F285-F290 AromaticContact CE2-CD2 3.7Å; F285-F290 HydrophobicContact CE2-CD2 3.7Å; F285-F290 HydrophobicContact CE2-CE1 4.4Å; F285-F290 HydrophobicContact CE2-CE2 4.27Å; F285-F290 AromaticContact CE2-CG 3.44Å; F285-F290 HydrophobicContact CE2-CG 3.44Å; F285-F290 VanDerWaalsContact CE2-CG 3.44Å; F285-F290 HydrophobicContact CZ-CB 3.97Å; F285-F290 AromaticContact CZ-CD1 4Å; F285-F290 HydrophobicContact CZ-CD1 4Å; F285-F290 AromaticContact CZ-CG 3.95Å; F285-F290 HydrophobicContact CZ-CG 3.95Å
286K82.4Confident81.9Confident88 Ų8852.1 Ų52.138%0.38328%0.275SS..  trans-126.7121.8169.4-64.5-177.5175.2-1770108.7Q288 P289 F290 D305K286-Q288 PolarHBondContact O-N 2.7Å; K286-P289 HydrophobicContact CB-CB 4.15Å; K286-P289 HydrophobicContact CB-CG 3.62Å; K286-P289 HydrophobicContact CD-CG 4.1Å; K286-F290 VanDerWaalsContact O-CB 3.29Å; K286-F290 WeakPolarHBondContact O-CB 3.19Å; K286-F290 PolarHBondContact O-N 3.22Å; K286-D305 IonicContact NZ-OD2 2.66Å; K286-D305 PolarHBondContact NZ-OD2 3.21Å
287T82.5Confident80.8Confident27 Ų2755.5 Ų55.517%0.16629%0.288CS..Hα-helixtrans-59.2-48.5-173.2-50.60000112.9V84 V87 D88 F285 F290 I291V84-T287 HydrophobicContact CB-CG2 4.49Å; V84-T287 HydrophobicContact CG1-CG2 3.99Å; V87-T287 HydrophobicContact CB-CG2 3.62Å; V87-T287 HydrophobicContact CG1-CG2 3.84Å; V87-T287 HydrophobicContact CG2-CG2 4.37Å; D88-T287 HydrophobicContact CB-CG2 4.36Å; F285-T287 WeakPolarHBondContact CE1-OG1 3.18Å; T287-F290 PolarHBondContact O-N 2.91Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.27Å; T287-I291 PolarHBondContact O-N 3.38Å
288Q80.8Confident79.5Confident95 Ų9547.7 Ų47.744%0.44425%0.253SS..Hα-helixtrans-62.6-52.6-177.4-76.3-82.3-12.500112.5K286 F290 I291 S292K286-Q288 PolarHBondContact O-N 2.7Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; Q288-F290 PolarHBondContact O-N 3.13Å; Q288-I291 PolarHBondContact O-N 3.48Å; Q288-S292 WeakPolarHBondContact O-CB 3.25Å; Q288-S292 PolarHBondContact O-N 3.31Å; Q288-S292 PolarHBondContact O-OG 2.91Å
289P75.3Confident78.4Confident13 Ų1342 Ų428%0.08423%0.227CC..Hα-helixtrans-53.3-45.1169.5-35.640.1000114.3K286 I291 S292 K293 D299K286-P289 HydrophobicContact CB-CB 4.15Å; K286-P289 HydrophobicContact CB-CG 3.62Å; K286-P289 HydrophobicContact CD-CG 4.1Å; P289-I291 PolarHBondContact O-N 2.66Å; P289-S292 PolarHBondContact O-N 2.66Å; P289-K293 VanDerWaalsContact O-CB 3.29Å; P289-K293 WeakPolarHBondContact O-CB 3.48Å; P289-K293 PolarHBondContact O-N 3Å; P289-D299 WeakPolarHBondContact CB-OD1 3.26Å
290F78.1Confident76.8Confident39 Ų3944.8 Ų44.817%0.17124%0.242CC..Hα-helixtrans-62.3-46.4-178.4-179.9-98.4000112L3 F285 K286 T287 Q288 L294L3-F290 HydrophobicContact CD1-CE2 3.58Å; L3-F290 HydrophobicContact CD1-CZ 3.72Å; L3-F290 HydrophobicContact CD2-CZ 3.82Å; L3-F290 HydrophobicContact CG-CZ 4.46Å; F285-F290 HydrophobicContact CD2-CB 4.43Å; F285-F290 HydrophobicContact CD2-CD2 4.4Å; F285-F290 HydrophobicContact CD2-CG 4.42Å; F285-F290 HydrophobicContact CE2-CB 3.65Å; F285-F290 AromaticContact CE2-CD1 3.83Å; F285-F290 HydrophobicContact CE2-CD1 3.83Å; F285-F290 AromaticContact CE2-CD2 3.7Å; F285-F290 HydrophobicContact CE2-CD2 3.7Å; F285-F290 HydrophobicContact CE2-CE1 4.4Å; F285-F290 HydrophobicContact CE2-CE2 4.27Å; F285-F290 AromaticContact CE2-CG 3.44Å; F285-F290 HydrophobicContact CE2-CG 3.44Å; F285-F290 VanDerWaalsContact CE2-CG 3.44Å; F285-F290 HydrophobicContact CZ-CB 3.97Å; F285-F290 AromaticContact CZ-CD1 4Å; F285-F290 HydrophobicContact CZ-CD1 4Å; F285-F290 AromaticContact CZ-CG 3.95Å; F285-F290 HydrophobicContact CZ-CG 3.95Å; K286-F290 VanDerWaalsContact O-CB 3.29Å; K286-F290 WeakPolarHBondContact O-CB 3.19Å; K286-F290 PolarHBondContact O-N 3.22Å; T287-F290 PolarHBondContact O-N 2.91Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; Q288-F290 PolarHBondContact O-N 3.13Å; F290-L294 WeakPolarHBondContact O-CB 3.44Å; F290-L294 PolarHBondContact O-N 3.2Å
291I79.3Confident75.5Confident3 Ų346 Ų462%0.01524%0.244CC..Hα-helixtrans-70.9-35.9177.7-59.4-58.9000111.4F80 L83 V84 V87 T287 Q288 P289 L294 L295F80-I291 HydrophobicContact CD2-CB 4.42Å; F80-I291 HydrophobicContact CD2-CG2 3.54Å; F80-I291 HydrophobicContact CE2-CB 3.94Å; F80-I291 HydrophobicContact CE2-CG2 3.57Å; L83-I291 HydrophobicContact CB-CD1 4.41Å; L83-I291 HydrophobicContact CB-CG2 3.9Å; L83-I291 HydrophobicContact CD1-CG2 4.33Å; V84-I291 HydrophobicContact CG2-CB 4.12Å; V84-I291 HydrophobicContact CG2-CG1 4.09Å; V84-I291 HydrophobicContact CG2-CG2 4.24Å; V87-I291 HydrophobicContact CG2-CD1 3.75Å; V87-I291 HydrophobicContact CG2-CG1 4.24Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.27Å; T287-I291 PolarHBondContact O-N 3.38Å; Q288-I291 PolarHBondContact O-N 3.48Å; P289-I291 PolarHBondContact O-N 2.66Å; I291-L294 HydrophobicContact CD1-CD2 4.3Å; I291-L294 WeakPolarHBondContact O-CB 3.45Å; I291-L294 PolarHBondContact O-N 2.77Å; I291-L295 HydrophobicContact CG2-CG 4.41Å; I291-L295 WeakPolarHBondContact O-CG 3.49Å; I291-L295 PolarHBondContact O-N 2.83Å
292S76.5Confident74.3Confident22 Ų2244.6 Ų44.615%0.15424%0.24CC..Hα-helixtrans-64.4-42175.9-610000111.9F80 Q288 P289 L295 G296 M297 G298F80-S292 WeakPolarHBondContact CE2-OG 3.43Å; Q288-S292 WeakPolarHBondContact O-CB 3.25Å; Q288-S292 PolarHBondContact O-N 3.31Å; Q288-S292 PolarHBondContact O-OG 2.91Å; P289-S292 PolarHBondContact O-N 2.66Å; S292-L295 PolarHBondContact O-N 3.2Å; S292-G296 PolarHBondContact O-N 3.02Å; S292-M297 PolarHBondContact O-N 3.28Å; S292-G298 VanDerWaalsContact CB-O 3.25Å; S292-G298 WeakPolarHBondContact CB-O 3.36Å
293K69.5Low72.8Confident86 Ų8646.3 Ų46.337%0.37425%0.249SC..Hα-helixtrans-62.9-42172.2-174.5175.4-177.8175.90111.3P289 L295 G296P289-K293 VanDerWaalsContact O-CB 3.29Å; P289-K293 WeakPolarHBondContact O-CB 3.48Å; P289-K293 PolarHBondContact O-N 3Å; K293-L295 VanDerWaalsContact C-N 3.35Å; K293-L295 PolarHBondContact O-N 3.27Å; K293-G296 PolarHBondContact O-N 3.2Å
294L72.1Confident71.7Confident14 Ų1448.4 Ų48.47%0.07326%0.261CS..Hα-helixtrans-59.2-45174.3-175.365.6000111.1L3 L6 G7 F290 I291 G296L3-L294 HydrophobicContact CB-CD1 4.39Å; L3-L294 HydrophobicContact CD2-CD1 4.07Å; L3-L294 WeakPolarHBondContact O-CD1 3.42Å; L6-L294 HydrophobicContact CB-CD1 4.14Å; L6-L294 HydrophobicContact CD2-CD1 3.93Å; L6-L294 HydrophobicContact CD2-CD2 4.18Å; L6-L294 HydrophobicContact CG-CD1 3.96Å; G7-L294 CarbonylContact C-O 3.46Å; G7-L294 WeakPolarHBondContact CA-O 3.45Å; F290-L294 WeakPolarHBondContact O-CB 3.44Å; F290-L294 PolarHBondContact O-N 3.2Å; I291-L294 HydrophobicContact CD1-CD2 4.3Å; I291-L294 WeakPolarHBondContact O-CB 3.45Å; I291-L294 PolarHBondContact O-N 2.77Å; L294-G296 PolarHBondContact O-N 3.48Å
295L68.9Low70.6Confident3 Ų348.4 Ų48.42%0.01626%0.258CS..THydrogen-bonded Turntrans-79.24.8179.5-63.1-168.9000114.7I10 T11 L14 F80 L83 I291 S292 K293 M297I10-L295 HydrophobicContact CB-CD2 4.15Å; I10-L295 HydrophobicContact CG2-CD2 3.35Å; T11-L295 PolarHBondContact OG1-O 3.36Å; T11-L295 VanDerWaalsContact OG1-O 3.05Å; L14-L295 HydrophobicContact CD1-CD1 4.45Å; L14-L295 HydrophobicContact CD1-CD2 4.23Å; F80-L295 HydrophobicContact CB-CD1 4.03Å; F80-L295 HydrophobicContact CD2-CD1 3.61Å; F80-L295 HydrophobicContact CG-CD1 4.32Å; L83-L295 HydrophobicContact CD1-CD2 4.05Å; I291-L295 HydrophobicContact CG2-CG 4.41Å; I291-L295 WeakPolarHBondContact O-CG 3.49Å; I291-L295 PolarHBondContact O-N 2.83Å; S292-L295 PolarHBondContact O-N 3.2Å; K293-L295 VanDerWaalsContact C-N 3.35Å; K293-L295 PolarHBondContact O-N 3.27Å; L295-M297 HydrophobicContact CB-CG 3.94Å; L295-M297 HydrophobicContact CB-SD 4.03Å; L295-M297 HydrophobicContact CD1-SD 4.02Å; L295-M297 PolarHBondContact O-N 2.86Å
296G64.9Low69.5Low53 Ų5350 Ų5055%0.54626%0.264SS..THydrogen-bonded Turntrans63.221-177.400000113.8S292 K293 L294 G298S292-G296 PolarHBondContact O-N 3.02Å; K293-G296 PolarHBondContact O-N 3.2Å; L294-G296 PolarHBondContact O-N 3.48Å; G296-G298 VanDerWaalsContact C-N 3.27Å
297M64.9Low68.5Low86 Ų8648.7 Ų48.742%0.42426%0.263SS..SBendtrans-81.6-8.9178.9-66.3178.464.800112.4S292 L295 P353S292-M297 PolarHBondContact O-N 3.28Å; L295-M297 HydrophobicContact CB-CG 3.94Å; L295-M297 HydrophobicContact CB-SD 4.03Å; L295-M297 HydrophobicContact CD1-SD 4.02Å; L295-M297 PolarHBondContact O-N 2.86Å; M297-P353 WeakPolarHBondContact O-CB 3.31Å
298G59.9Low67.5Low8 Ų852.4 Ų52.48%0.08228%0.282CS..  trans87.3169.8-175.200000112.4S292 G296S292-G298 VanDerWaalsContact CB-O 3.25Å; S292-G298 WeakPolarHBondContact CB-O 3.36Å; G296-G298 VanDerWaalsContact C-N 3.27Å
299D66.4Low66.6Low18 Ų1853.7 Ų53.710%0.09629%0.289CS..  trans-134.782.6180179.815.8000109.6P289 G302 L303 M351P289-D299 WeakPolarHBondContact CB-OD1 3.26Å; D299-G302 PolarHBondContact OD1-N 3.22Å; D299-G302 WeakPolarHBondContact OD2-CA 3.42Å; D299-L303 WeakPolarHBondContact O-CB 2.9Å; D299-L303 PolarHBondContact O-N 3.36Å; D299-M351 HydrophobicContact CB-CB 4.37Å; D299-M351 HydrophobicContact CB-CE 4.29Å; D299-M351 HydrophobicContact CB-CG 4.32Å; D299-M351 PolarHBondContact N-O 2.93Å; D299-M351 VanDerWaalsContact OD2-CE 3.29Å; D299-M351 WeakPolarHBondContact OD2-CE 3.46Å
300I57.1Low65.7Low107 Ų10756.5 Ų56.555%0.54930%0.302SS..Hα-helixtrans-69.1-37.3-178.6-59.5176.4000110.5L303 I304 P353I300-L303 PolarHBondContact O-N 3.06Å; I300-I304 HydrophobicContact CG2-CD1 4.11Å; I300-I304 WeakPolarHBondContact O-CG1 3.35Å; I300-I304 PolarHBondContact O-N 3.08Å; I300-I304 VanDerWaalsContact O-N 3.15Å; I300-P353 HydrophobicContact CD1-CG 4.08Å; I300-P353 HydrophobicContact CG1-CG 3.99Å
301E59.5Low64.6Low118 Ų11861.9 Ų61.955%0.55133%0.326SS*.Hα-helixtrans-67.4-47-179.7-71-176.1176.900111.7L303 I304 D305E301-L303 VanDerWaalsContact C-N 3.28Å; E301-L303 PolarHBondContact O-N 3.31Å; E301-I304 PolarHBondContact O-N 2.88Å; E301-D305 PolarHBondContact O-N 2.94Å
302G63.7Low63.2Low12 Ų1266.2 Ų66.212%0.12435%0.348CS..Hα-helixtrans-64.8-32.4176.800000113D299 D305 K306D299-G302 PolarHBondContact OD1-N 3.22Å; D299-G302 WeakPolarHBondContact OD2-CA 3.42Å; G302-D305 PolarHBondContact O-N 3.09Å; G302-K306 WeakPolarHBondContact O-CB 3.5Å; G302-K306 PolarHBondContact O-N 3.38Å
303L62.6Low61.8Low49 Ų4972 Ų7226%0.25738%0.378SS..Hα-helixtrans-63-44.4173.7-179.765.3000110.9D299 I300 E301 K306 V307 I348 M351 I352D299-L303 WeakPolarHBondContact O-CB 2.9Å; D299-L303 PolarHBondContact O-N 3.36Å; I300-L303 PolarHBondContact O-N 3.06Å; E301-L303 VanDerWaalsContact C-N 3.28Å; E301-L303 PolarHBondContact O-N 3.31Å; L303-K306 PolarHBondContact O-N 2.91Å; L303-V307 HydrophobicContact CD1-CG2 4.48Å; L303-V307 WeakPolarHBondContact O-CB 3.47Å; L303-V307 VanDerWaalsContact O-CG2 3.23Å; L303-V307 WeakPolarHBondContact O-CG2 3.46Å; L303-V307 PolarHBondContact O-N 3.19Å; L303-I348 HydrophobicContact CD1-CG2 4.02Å; L303-M351 HydrophobicContact CB-CB 4.32Å; L303-I352 HydrophobicContact CD2-CG1 4.47Å
304I63.7Low60.8Low90 Ų9075 Ų7546%0.46240%0.397SS..Hα-helixtrans-62.1-45.4176.9-68.1164.8000110.4I300 E301 K306 V307 N308I300-I304 HydrophobicContact CG2-CD1 4.11Å; I300-I304 WeakPolarHBondContact O-CG1 3.35Å; I300-I304 PolarHBondContact O-N 3.08Å; I300-I304 VanDerWaalsContact O-N 3.15Å; E301-I304 PolarHBondContact O-N 2.88Å; I304-K306 PolarHBondContact O-N 2.78Å; I304-V307 PolarHBondContact O-N 3.38Å; I304-N308 WeakPolarHBondContact O-CB 3.45Å; I304-N308 PolarHBondContact O-N 2.83Å; I304-N308 PolarHBondContact O-ND2 3.39Å
305D67.5Low59.9Low64 Ų6477 Ų7734%0.34241%0.408SS..Hα-helixtrans-60.4-45.1178-73.1-21.6000112.1K286 E301 G302 V307 N308 E309K286-D305 IonicContact NZ-OD2 2.66Å; K286-D305 PolarHBondContact NZ-OD2 3.21Å; E301-D305 PolarHBondContact O-N 2.94Å; G302-D305 PolarHBondContact O-N 3.09Å; D305-V307 VanDerWaalsContact C-N 3.35Å; D305-V307 PolarHBondContact O-N 3.05Å; D305-N308 PolarHBondContact O-N 3.02Å; D305-E309 PolarHBondContact O-N 3.32Å
306K63.6Low59.4Low55 Ų5584.2 Ų84.224%0.23944%0.442CS..Hα-helixtrans-67.2-36.7179.8-156.6132.5-172.4177.40111.7E283 G302 L303 I304 E309 L310E283-K306 IonicContact OE1-NZ 3.58Å; E283-K306 PolarHBondContact OE1-NZ 3.29Å; G302-K306 WeakPolarHBondContact O-CB 3.5Å; G302-K306 PolarHBondContact O-N 3.38Å; L303-K306 PolarHBondContact O-N 2.91Å; I304-K306 PolarHBondContact O-N 2.78Å; K306-E309 PolarHBondContact O-N 3.2Å; K306-L310 HydrophobicContact CG-CD1 4.47Å; K306-L310 WeakPolarHBondContact O-CB 3.34Å; K306-L310 WeakPolarHBondContact O-CD1 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.18Å; K306-L310 PolarHBondContact O-N 3.32Å; K306-L310 VanDerWaalsContact O-N 3.14Å
307V62.3Low59.1Low60 Ų6084.9 Ų84.936%0.36444%0.442SS..Hα-helixtrans-64-42.3172.6167.10000111.3L303 I304 D305 L310 L312L303-V307 HydrophobicContact CD1-CG2 4.48Å; L303-V307 WeakPolarHBondContact O-CB 3.47Å; L303-V307 VanDerWaalsContact O-CG2 3.23Å; L303-V307 WeakPolarHBondContact O-CG2 3.46Å; L303-V307 PolarHBondContact O-N 3.19Å; I304-V307 PolarHBondContact O-N 3.38Å; D305-V307 VanDerWaalsContact C-N 3.35Å; D305-V307 PolarHBondContact O-N 3.05Å; V307-L310 PolarHBondContact O-N 3.43Å; V307-L312 HydrophobicContact CB-CD1 4.47Å; V307-L312 HydrophobicContact CG1-CD1 3.96Å; V307-L312 HydrophobicContact CG2-CD1 4.37Å
308N60.3Low58.7Low105 Ų10581.6 Ų81.656%0.56143%0.426SS*.Hα-helixtrans-65.9-41.1177.2-70.7-24.4000112.2I304 D305 L310 K311I304-N308 WeakPolarHBondContact O-CB 3.45Å; I304-N308 PolarHBondContact O-N 2.83Å; I304-N308 PolarHBondContact O-ND2 3.39Å; D305-N308 PolarHBondContact O-N 3.02Å; N308-L310 VanDerWaalsContact C-N 3.25Å; N308-L310 PolarHBondContact O-N 3.28Å; N308-K311 PolarHBondContact O-N 3.37Å
309E61.7Low58.6Low123 Ų12385.6 Ų85.658%0.57545%0.445SS*.Hα-helixtrans-63.4-32.1175.3-78-171.9170.900112.7D305 K306 K311D305-E309 PolarHBondContact O-N 3.32Å; K306-E309 PolarHBondContact O-N 3.2Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.88Å
310L57Low58.3Low71 Ų7190.3 Ų90.337%0.37247%0.466SS..THydrogen-bonded Turntrans-77.7-6.9-178.5-73.9167.8000113.8K306 V307 N308 L312 M342K306-L310 HydrophobicContact CG-CD1 4.47Å; K306-L310 WeakPolarHBondContact O-CB 3.34Å; K306-L310 WeakPolarHBondContact O-CD1 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.18Å; K306-L310 PolarHBondContact O-N 3.32Å; K306-L310 VanDerWaalsContact O-N 3.14Å; V307-L310 PolarHBondContact O-N 3.43Å; N308-L310 VanDerWaalsContact C-N 3.25Å; N308-L310 PolarHBondContact O-N 3.28Å; L310-L312 VanDerWaalsContact C-N 3.25Å; L310-L312 HydrophobicContact CB-CD1 4.42Å; L310-L312 HydrophobicContact CB-CG 4.18Å; L310-L312 PolarHBondContact O-N 3.4Å; L310-M342 HydrophobicContact CD1-CG 3.99Å; L310-M342 HydrophobicContact CD1-SD 4.41Å; L310-M342 HydrophobicContact CD2-CG 4.43Å
311K56.2Low58.5Low153 Ų15389.4 Ų89.467%0.66546%0.458SS*.THydrogen-bonded Turntrans41.454.6-178.4-64.6-173.5178-174.90111.7N308 E309 D313N308-K311 PolarHBondContact O-N 3.37Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.88Å; K311-D313 PolarHBondContact O-N 3.4Å
312L49.7Very low58.5Low93 Ų9385.9 Ų85.949%0.48744%0.443SS..G310 helixtrans-63.72.5-177.6-83.4160.6000114.3V307 L310 D314V307-L312 HydrophobicContact CB-CD1 4.47Å; V307-L312 HydrophobicContact CG1-CD1 3.96Å; V307-L312 HydrophobicContact CG2-CD1 4.37Å; L310-L312 VanDerWaalsContact C-N 3.25Å; L310-L312 HydrophobicContact CB-CD1 4.42Å; L310-L312 HydrophobicContact CB-CG 4.18Å; L310-L312 PolarHBondContact O-N 3.4Å; L312-D314 VanDerWaalsContact C-N 3.28Å; L312-D314 PolarHBondContact O-N 2.71Å
313D46.9Very low58.3Low145 Ų14591.4 Ų91.478%0.77546%0.464SS*.G310 helixtrans-72.1-12.4177.4-65.2-28.6000113.9K311 N315K311-D313 PolarHBondContact O-N 3.4Å; D313-N315 VanDerWaalsContact C-N 3.32Å; D313-N315 PolarHBondContact O-N 3.4Å
314D47.6Very low58.3Low147 Ų14795.5 Ų95.579%0.78648%0.481SS*.G310 helixtrans-82.610.5-174.8-87.5-16.4000115.8L312L312-D314 VanDerWaalsContact C-N 3.28Å; L312-D314 PolarHBondContact O-N 2.71Å
315N54.2Low58.3Low57 Ų5792.7 Ų92.731%0.30547%0.474SS..G310 helixtrans-116.936.3-177.1-85.3-38.9000114.7D313 A317 L318 I319D313-N315 VanDerWaalsContact C-N 3.32Å; D313-N315 PolarHBondContact O-N 3.4Å; N315-A317 PolarHBondContact O-N 3.23Å; N315-L318 HydrophobicContact CB-CB 3.97Å; N315-L318 WeakPolarHBondContact O-CB 3.21Å; N315-L318 PolarHBondContact O-N 2.98Å; N315-I319 PolarHBondContact O-N 2.94Å; N315-I319 VanDerWaalsContact O-N 3.08Å
316E57.2Low58.4Low155 Ų15594.7 Ų94.772%0.72448%0.482SS*.Hα-helixtrans-53.1-40.3171.3-70.9-170.4151.200112.2L318 I319 E320E316-L318 VanDerWaalsContact C-N 3.27Å; E316-L318 PolarHBondContact O-N 2.96Å; E316-I319 PolarHBondContact O-N 2.9Å; E316-E320 PolarHBondContact O-N 2.91Å
317A59.3Low59.2Low66 Ų6692.7 Ų92.755%0.54547%0.473SS..Hα-helixtrans-61.3-35177.500000112.8N315 K321N315-A317 PolarHBondContact O-N 3.23Å; A317-K321 WeakPolarHBondContact O-CG 3.33Å; A317-K321 PolarHBondContact O-N 3.36Å
318L55.7Low60.4Low17 Ų1790.5 Ų90.59%0.08946%0.46CS..Hα-helixtrans-75.7-38.5179.3-143.1138.2000110.6N315 E316 E320 K321 L322N315-L318 HydrophobicContact CB-CB 3.97Å; N315-L318 WeakPolarHBondContact O-CB 3.21Å; N315-L318 PolarHBondContact O-N 2.98Å; E316-L318 VanDerWaalsContact C-N 3.27Å; E316-L318 PolarHBondContact O-N 2.96Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 3.22Å; L318-K321 PolarHBondContact O-N 2.81Å; L318-L322 HydrophobicContact CD2-CD1 3.73Å; L318-L322 HydrophobicContact CD2-CG 4.16Å; L318-L322 VanDerWaalsContact O-CB 3.29Å; L318-L322 WeakPolarHBondContact O-CB 3.17Å; L318-L322 WeakPolarHBondContact O-CG 3.46Å; L318-L322 PolarHBondContact O-N 2.99Å
319I58.6Low61.7Low93 Ų9385.5 Ų85.548%0.47743%0.433SS..Hα-helixtrans-63-39.8172.8-65.1172.2000110.6N315 E316 K323N315-I319 PolarHBondContact O-N 2.94Å; N315-I319 VanDerWaalsContact O-N 3.08Å; E316-I319 PolarHBondContact O-N 2.9Å; I319-K323 HydrophobicContact CG2-CD 4.19Å; I319-K323 WeakPolarHBondContact O-CB 3.22Å; I319-K323 WeakPolarHBondContact O-CD 3.17Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 3.04Å
320E60.5Low63Low117 Ų11783 Ų8355%0.54742%0.418SS..Hα-helixtrans-66.1-46.5174.2-72.4-154145.200113.2E316 L318 L322 K323 H324E316-E320 PolarHBondContact O-N 2.91Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 3.22Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.07Å; E320-K323 WeakPolarHBondContact O-CB 3.48Å; E320-K323 PolarHBondContact O-N 3.43Å; E320-K323 VanDerWaalsContact O-N 3.16Å; E320-H324 PolarHBondContact O-CD2 3.35Å; E320-H324 PolarHBondContact O-N 3.48Å; E320-H324 VanDerWaalsContact O-N 3.09Å
321K61.6Low64.4Low87 Ų8779.8 Ų79.838%0.37840%0.402SS..Hα-helixtrans-60.8-41.1175.7-73.4175.9176-178.10112.5A317 L318 H324 G325 Q326 D331A317-K321 WeakPolarHBondContact O-CG 3.33Å; A317-K321 PolarHBondContact O-N 3.36Å; L318-K321 PolarHBondContact O-N 2.81Å; K321-H324 CarbonylContact O-C 3.42Å; K321-H324 PolarHBondContact O-N 3.39Å; K321-H324 VanDerWaalsContact O-N 3.16Å; K321-G325 PolarHBondContact O-N 2.97Å; K321-Q326 PolarHBondContact O-N 2.96Å; K321-D331 IonicContact NZ-OD1 3.44Å; K321-D331 PolarHBondContact NZ-OD1 3.14Å
322L58.3Low65.7Low45 Ų4572.7 Ų72.724%0.23637%0.371CS..Hα-helixtrans-63.5-39.6174.2-73.1172000112.1L318 E320 H324 G325 F327 V431L318-L322 HydrophobicContact CD2-CD1 3.73Å; L318-L322 HydrophobicContact CD2-CG 4.16Å; L318-L322 VanDerWaalsContact O-CB 3.29Å; L318-L322 WeakPolarHBondContact O-CB 3.17Å; L318-L322 WeakPolarHBondContact O-CG 3.46Å; L318-L322 PolarHBondContact O-N 2.99Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.07Å; L322-H324 PolarHBondContact O-N 3.49Å; L322-G325 PolarHBondContact O-N 2.79Å; L322-F327 HydrophobicContact CD2-CD2 4.47Å; L322-V431 HydrophobicContact CD2-CG1 3.32Å; L322-V431 HydrophobicContact CD2-CG2 4.45Å
323K60.7Low67.5Low127 Ų12770.8 Ų70.855%0.55236%0.358SS*.Hα-helixtrans-61.3-31.1173.5-77.5164.9179.6168.70112.5I319 E320 G325I319-K323 HydrophobicContact CG2-CD 4.19Å; I319-K323 WeakPolarHBondContact O-CB 3.22Å; I319-K323 WeakPolarHBondContact O-CD 3.17Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 3.04Å; E320-K323 WeakPolarHBondContact O-CB 3.48Å; E320-K323 PolarHBondContact O-N 3.43Å; E320-K323 VanDerWaalsContact O-N 3.16Å; K323-G325 VanDerWaalsContact C-N 3.34Å
324H62.8Low69.2Low136 Ų13666.8 Ų66.863%0.6333%0.334SS*.THydrogen-bonded Turntrans-86.1-2.1175.8-70.9-65.2000114E320 K321 L322 Q326E320-H324 PolarHBondContact O-CD2 3.35Å; E320-H324 PolarHBondContact O-N 3.48Å; E320-H324 VanDerWaalsContact O-N 3.09Å; K321-H324 CarbonylContact O-C 3.42Å; K321-H324 PolarHBondContact O-N 3.39Å; K321-H324 VanDerWaalsContact O-N 3.16Å; L322-H324 PolarHBondContact O-N 3.49Å; H324-Q326 PolarHBondContact O-N 2.88Å
325G63.6Low70.8Confident30 Ų3062 Ų6231%0.30931%0.307SS..THydrogen-bonded Turntrans66.520.4177.100000113.8K321 L322 K323K321-G325 PolarHBondContact O-N 2.97Å; L322-G325 PolarHBondContact O-N 2.79Å; K323-G325 VanDerWaalsContact C-N 3.34Å
326Q68.7Low72.1Confident107 Ų10760.3 Ų60.350%0.530%0.297SS..  trans-99.4120.3175.2-62.2-178.412.900107.7K321 H324K321-Q326 PolarHBondContact O-N 2.96Å; H324-Q326 PolarHBondContact O-N 2.88Å
327F80.5Confident73.2Confident12 Ų1256.3 Ų56.35%0.05328%0.279CS..  trans-132.4112.7178.6-174.7-98.4000107.7L322 D331 M332 Y424 F427 A428 V431L322-F327 HydrophobicContact CD2-CD2 4.47Å; F327-D331 HydrophobicContact CD2-CB 4.1Å; F327-D331 HydrophobicContact CE2-CB 4.01Å; F327-M332 HydrophobicContact CE1-CB 3.84Å; F327-M332 HydrophobicContact CE1-CG 4.27Å; F327-M332 HydrophobicContact CZ-CB 3.71Å; F327-M332 HydrophobicContact CZ-CG 4.15Å; F327-Y424 HydrophobicContact CD1-CD2 4.38Å; F327-Y424 AromaticContact CD1-CE2 3.91Å; F327-Y424 HydrophobicContact CD1-CE2 3.91Å; F327-Y424 HydrophobicContact CE1-CD2 4.14Å; F327-Y424 HydrophobicContact CE1-CE2 4.07Å; F327-Y424 PolarHBondContact O-OH 3.49Å; F327-F427 HydrophobicContact CD1-CD1 4.26Å; F327-F427 HydrophobicContact CE1-CB 4.5Å; F327-F427 AromaticContact CE1-CD1 3.42Å; F327-F427 HydrophobicContact CE1-CD1 3.42Å; F327-F427 VanDerWaalsContact CE1-CD1 3.42Å; F327-F427 HydrophobicContact CE1-CE1 4.06Å; F327-F427 HydrophobicContact CE1-CG 4.35Å; F327-F427 HydrophobicContact CE2-CD1 4.03Å; F327-F427 AromaticContact CE2-CE1 3.84Å; F327-F427 HydrophobicContact CE2-CE1 3.84Å; F327-F427 AromaticContact CZ-CD1 3.27Å; F327-F427 HydrophobicContact CZ-CD1 3.27Å; F327-F427 AromaticContact CZ-CE1 3.41Å; F327-F427 HydrophobicContact CZ-CE1 3.41Å; F327-F427 VanDerWaalsContact CZ-CE1 3.41Å; F327-F427 HydrophobicContact CZ-CG 4.43Å; F327-A428 HydrophobicContact CD1-CB 3.95Å; F327-V431 HydrophobicContact CB-CB 4.31Å; F327-V431 HydrophobicContact CB-CG1 3.88Å; F327-V431 HydrophobicContact CD2-CB 4.35Å; F327-V431 HydrophobicContact CD2-CG1 4.02Å; F327-V431 HydrophobicContact CD2-CG2 3.95Å; F327-V431 HydrophobicContact CE2-CG2 4.18Å; F327-V431 HydrophobicContact CG-CB 4.26Å; F327-V431 HydrophobicContact CG-CG1 4.12Å; F327-V431 HydrophobicContact CG-CG2 4.17Å
328T88Confident73.9Confident15 Ų1555 Ų559%0.09226%0.263CS..  trans-101.2170.8-176.367.10000111.4R330 D331 M332 L387T328-R330 VanDerWaalsContact C-N 3.26Å; T328-R330 PolarHBondContact O-N 3.42Å; T328-R330 PolarHBondContact OG1-N 2.92Å; T328-D331 WeakPolarHBondContact CB-OD2 3.47Å; T328-D331 PolarHBondContact N-OD2 3.22Å; T328-D331 PolarHBondContact O-N 3.36Å; T328-D331 PolarHBondContact OG1-N 2.88Å; T328-D331 PolarHBondContact OG1-OD2 3.43Å; T328-M332 PolarHBondContact O-N 3.13Å; T328-M332 VanDerWaalsContact O-N 3.14Å; T328-L387 WeakPolarHBondContact CB-O 3.48Å
329L87.8Confident74.8Confident0 Ų055.9 Ų55.90%027%0.267CS..Hα-helixtrans-66.8-31174-84.7167.5000111.4M332 Y333 M379 M382 L387 F396 L420 L421 Y424L329-M332 HydrophobicContact CD2-CE 3.9Å; L329-M332 WeakPolarHBondContact O-CB 3.21Å; L329-M332 PolarHBondContact O-N 2.89Å; L329-Y333 PolarHBondContact O-N 3.47Å; L329-M379 HydrophobicContact CD2-SD 4.46Å; L329-M382 HydrophobicContact CD1-CE 4.48Å; L329-M382 HydrophobicContact CD1-SD 3.84Å; L329-L387 HydrophobicContact CB-CD2 4Å; L329-L387 PolarHBondContact N-O 3.5Å; L329-F396 HydrophobicContact CD1-CE2 4Å; L329-L420 HydrophobicContact CD2-CD2 4.06Å; L329-L421 HydrophobicContact CD1-CD2 4.29Å; L329-Y424 HydrophobicContact CD2-CD1 4.25Å; L329-Y424 HydrophobicContact CD2-CD2 3.51Å; L329-Y424 HydrophobicContact CD2-CE2 4.05Å; L329-Y424 HydrophobicContact CD2-CG 3.6Å; L329-Y424 HydrophobicContact CG-CD1 4.45Å; L329-Y424 HydrophobicContact CG-CD2 3.9Å; L329-Y424 HydrophobicContact CG-CE1 4.47Å; L329-Y424 HydrophobicContact CG-CE2 3.91Å; L329-Y424 HydrophobicContact CG-CG 4.17Å
330R88.9Confident75.3Confident69 Ų6955.1 Ų55.126%0.2626%0.262SS..Hα-helixtrans-64.6-44172.4-170.8172.6-58-85.32.9112.1T328 M332 Y333 E334 D384 L387 D388T328-R330 VanDerWaalsContact C-N 3.26Å; T328-R330 PolarHBondContact O-N 3.42Å; T328-R330 PolarHBondContact OG1-N 2.92Å; R330-M332 PolarHBondContact O-N 3.3Å; R330-Y333 WeakPolarHBondContact O-CA 3.35Å; R330-Y333 VanDerWaalsContact O-CB 3.28Å; R330-Y333 WeakPolarHBondContact O-CB 3.49Å; R330-Y333 PolarHBondContact O-N 2.94Å; R330-E334 WeakPolarHBondContact O-CG 3.37Å; R330-E334 PolarHBondContact O-N 2.86Å; R330-D384 IonicContact CZ-OD1 2.58Å; R330-D384 IonicContact NH2-OD1 3.22Å; R330-D384 PolarHBondContact NH2-OD1 3.49Å; R330-L387 HydrophobicContact CB-CB 4.3Å; R330-L387 PolarHBondContact N-O 3.33Å; R330-L387 VanDerWaalsContact N-O 3.09Å; R330-D388 VanDerWaalsContact CD-OD1 3.28Å; R330-D388 WeakPolarHBondContact CD-OD1 3.22Å; R330-D388 IonicContact CZ-OD1 3.17Å; R330-D388 IonicContact CZ-OD2 2.81Å; R330-D388 VanDerWaalsContact NE-CG 3.34Å; R330-D388 IonicContact NE-OD1 2.69Å; R330-D388 PolarHBondContact NE-OD1 3.3Å; R330-D388 IonicContact NE-OD2 2.69Å; R330-D388 PolarHBondContact NE-OD2 3.35Å; R330-D388 IonicContact NH2-OD1 2.83Å; R330-D388 IonicContact NH2-OD2 2.7Å; R330-D388 PolarHBondContact NH2-OD2 3.05Å
331D84.7Confident75.7Confident4 Ų456.5 Ų56.52%0.02127%0.266CS..Hα-helixtrans-62.3-37.8177-51.8-50.6000110K321 F327 T328 E334 Q335K321-D331 IonicContact NZ-OD1 3.44Å; K321-D331 PolarHBondContact NZ-OD1 3.14Å; F327-D331 HydrophobicContact CD2-CB 4.1Å; F327-D331 HydrophobicContact CE2-CB 4.01Å; T328-D331 WeakPolarHBondContact CB-OD2 3.47Å; T328-D331 PolarHBondContact N-OD2 3.22Å; T328-D331 PolarHBondContact O-N 3.36Å; T328-D331 PolarHBondContact OG1-N 2.88Å; T328-D331 PolarHBondContact OG1-OD2 3.43Å; D331-E334 PolarHBondContact O-N 3.25Å; D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.44Å; D331-Q335 PolarHBondContact O-N 3.2Å
332M84.9Confident75.6Confident4 Ų454.5 Ų54.52%0.0226%0.259CS..Hα-helixtrans-62.7-40.2172.4-165.1-177.978.100112.6F327 T328 L329 R330 Q335 F336 M379 L420 Y424F327-M332 HydrophobicContact CE1-CB 3.84Å; F327-M332 HydrophobicContact CE1-CG 4.27Å; F327-M332 HydrophobicContact CZ-CB 3.71Å; F327-M332 HydrophobicContact CZ-CG 4.15Å; T328-M332 PolarHBondContact O-N 3.13Å; T328-M332 VanDerWaalsContact O-N 3.14Å; L329-M332 HydrophobicContact CD2-CE 3.9Å; L329-M332 WeakPolarHBondContact O-CB 3.21Å; L329-M332 PolarHBondContact O-N 2.89Å; R330-M332 PolarHBondContact O-N 3.3Å; M332-Q335 PolarHBondContact O-N 2.96Å; M332-F336 HydrophobicContact CE-CE2 3.72Å; M332-F336 HydrophobicContact CE-CZ 4.05Å; M332-F336 HydrophobicContact CG-CE1 4.15Å; M332-F336 HydrophobicContact CG-CE2 4.2Å; M332-F336 HydrophobicContact CG-CZ 3.94Å; M332-F336 WeakPolarHBondContact O-CG 3.39Å; M332-F336 PolarHBondContact O-N 3.03Å; M332-F336 HydrophobicContact SD-CE2 4.26Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; M332-M379 HydrophobicContact CE-CE 3.96Å; M332-M379 HydrophobicContact CE-SD 3.49Å; M332-M379 WeakPolarHBondContact CE-SD 3.23Å; M332-L420 HydrophobicContact CE-CD2 4.08Å; M332-L420 HydrophobicContact CE-CG 4.35Å; M332-Y424 HydrophobicContact CB-CD2 4.49Å; M332-Y424 HydrophobicContact SD-CD2 3.93Å; M332-Y424 HydrophobicContact SD-CG 4.39Å
333Y86.4Confident75.8Confident53 Ų5353.3 Ų53.321%0.20826%0.257CS..Hα-helixtrans-60.6-48.7175.1-173.1-83.3000111.6L329 R330 Q335 F336 Q337 M376 M379 D380L329-Y333 PolarHBondContact O-N 3.47Å; R330-Y333 WeakPolarHBondContact O-CA 3.35Å; R330-Y333 VanDerWaalsContact O-CB 3.28Å; R330-Y333 WeakPolarHBondContact O-CB 3.49Å; R330-Y333 PolarHBondContact O-N 2.94Å; Y333-Q335 VanDerWaalsContact C-N 3.29Å; Y333-Q335 PolarHBondContact O-N 3Å; Y333-F336 PolarHBondContact O-N 2.63Å; Y333-Q337 WeakPolarHBondContact O-CB 3.45Å; Y333-Q337 PolarHBondContact O-N 2.93Å; Y333-M376 HydrophobicContact CD1-CE 4.47Å; Y333-M376 HydrophobicContact CD2-CG 4.44Å; Y333-M376 HydrophobicContact CE1-CE 3.8Å; Y333-M376 HydrophobicContact CE2-CB 3.94Å; Y333-M376 HydrophobicContact CE2-CE 3.99Å; Y333-M376 HydrophobicContact CE2-CG 4.19Å; Y333-M379 HydrophobicContact CD2-CB 3.72Å; Y333-M379 HydrophobicContact CD2-CE 3.72Å; Y333-M379 HydrophobicContact CD2-SD 4.14Å; Y333-M379 HydrophobicContact CE2-CB 4.21Å; Y333-M379 HydrophobicContact CG-CE 4.33Å; Y333-D380 WeakPolarHBondContact CE2-OD1 3.28Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.3Å; Y333-D380 PolarHBondContact OH-OD1 2.85Å
334E84.2Confident75.8Confident61 Ų6149.2 Ų49.229%0.28524%0.243SC..Hα-helixtrans-59.7-41.2176.5-69.9171.9-170.800111R330 D331 Q337 N338R330-E334 WeakPolarHBondContact O-CG 3.37Å; R330-E334 PolarHBondContact O-N 2.86Å; D331-E334 PolarHBondContact O-N 3.25Å; E334-Q337 PolarHBondContact O-N 3.43Å; E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 PolarHBondContact O-N 3.07Å; E334-N338 PolarHBondContact O-ND2 3.37Å
335Q79.4Confident75.6Confident47 Ų4747.3 Ų47.322%0.2223%0.234CC..Hα-helixtrans-62.8-46174.2-68.2-41.8-69.900112.1D331 M332 Y333 Q337 N338 I339D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.44Å; D331-Q335 PolarHBondContact O-N 3.2Å; M332-Q335 PolarHBondContact O-N 2.96Å; Y333-Q335 VanDerWaalsContact C-N 3.29Å; Y333-Q335 PolarHBondContact O-N 3Å; Q335-Q337 VanDerWaalsContact C-N 3.29Å; Q335-Q337 PolarHBondContact O-N 3.24Å; Q335-N338 PolarHBondContact O-N 3.21Å; Q335-I339 WeakPolarHBondContact O-CB 3.3Å; Q335-I339 WeakPolarHBondContact O-CG1 3.5Å; Q335-I339 PolarHBondContact O-N 2.85Å
336F81.8Confident75.4Confident22 Ų2247.9 Ų47.910%0.09623%0.233CC..Hα-helixtrans-62.1-38.6176.2-72.8-6000112.1M332 Y333 I339 M340 L372 L375 M376 M379M332-F336 HydrophobicContact CE-CE2 3.72Å; M332-F336 HydrophobicContact CE-CZ 4.05Å; M332-F336 HydrophobicContact CG-CE1 4.15Å; M332-F336 HydrophobicContact CG-CE2 4.2Å; M332-F336 HydrophobicContact CG-CZ 3.94Å; M332-F336 WeakPolarHBondContact O-CG 3.39Å; M332-F336 PolarHBondContact O-N 3.03Å; M332-F336 HydrophobicContact SD-CE2 4.26Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; Y333-F336 PolarHBondContact O-N 2.63Å; F336-I339 HydrophobicContact CD1-CD1 4.41Å; F336-I339 PolarHBondContact O-N 2.9Å; F336-M340 WeakPolarHBondContact O-CB 3.21Å; F336-M340 PolarHBondContact O-N 3.06Å; F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.36Å; F336-L372 HydrophobicContact CE1-CD2 4.05Å; F336-L372 HydrophobicContact CE2-CD2 4.48Å; F336-L372 HydrophobicContact CG-CD2 4.1Å; F336-L372 HydrophobicContact CZ-CD2 4.34Å; F336-L375 HydrophobicContact CD2-CB 4.25Å; F336-L375 HydrophobicContact CE2-CB 3.9Å; F336-L375 HydrophobicContact CE2-CD1 3.7Å; F336-L375 HydrophobicContact CE2-CG 4.45Å; F336-L375 HydrophobicContact CZ-CD1 4.05Å; F336-M376 HydrophobicContact CB-CG 4.15Å; F336-M376 HydrophobicContact CB-SD 4.31Å; F336-M379 HydrophobicContact CD2-CE 3.51Å; F336-M379 HydrophobicContact CE2-CE 3.91Å
337Q80.8Confident75Confident71 Ų7145.3 Ų45.333%0.33222%0.221SC..Hα-helixtrans-65.6-41.6176.1-166.7178.711.200111.6Y333 E334 Q335 M340 K341 M376Y333-Q337 WeakPolarHBondContact O-CB 3.45Å; Y333-Q337 PolarHBondContact O-N 2.93Å; E334-Q337 PolarHBondContact O-N 3.43Å; Q335-Q337 VanDerWaalsContact C-N 3.29Å; Q335-Q337 PolarHBondContact O-N 3.24Å; Q337-M340 PolarHBondContact O-N 3.08Å; Q337-K341 VanDerWaalsContact O-CG 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.39Å; Q337-K341 PolarHBondContact O-N 3.29Å; Q337-M376 HydrophobicContact CB-CE 3.95Å; Q337-M376 HydrophobicContact CG-CE 4.15Å
338N75Confident74.1Confident39 Ų3946.5 Ų46.521%0.20923%0.228CC..Hα-helixtrans-64.8-42.9175.2-68.7-22.4000111.1E334 Q335 M340 K341 M342E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 PolarHBondContact O-N 3.07Å; E334-N338 PolarHBondContact O-ND2 3.37Å; Q335-N338 PolarHBondContact O-N 3.21Å; N338-M340 VanDerWaalsContact C-N 3.31Å; N338-M340 PolarHBondContact O-N 3.36Å; N338-K341 PolarHBondContact O-N 3.47Å; N338-M342 HydrophobicContact CB-CE 4.4Å; N338-M342 WeakPolarHBondContact O-CB 3.49Å; N338-M342 VanDerWaalsContact O-CG 3.26Å; N338-M342 WeakPolarHBondContact O-CG 3.46Å; N338-M342 PolarHBondContact O-N 3.07Å
339I72.9Confident72.7Confident35 Ų3548.3 Ų48.318%0.17924%0.236CC..Hα-helixtrans-60.2-42.9174.3-66.7168.8000110.8Q335 F336 K341 M342 G343 F345 L372Q335-I339 WeakPolarHBondContact O-CB 3.3Å; Q335-I339 WeakPolarHBondContact O-CG1 3.5Å; Q335-I339 PolarHBondContact O-N 2.85Å; F336-I339 HydrophobicContact CD1-CD1 4.41Å; F336-I339 PolarHBondContact O-N 2.9Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 3.48Å; I339-M342 HydrophobicContact CB-CE 4.5Å; I339-M342 HydrophobicContact CG1-CE 4.05Å; I339-M342 PolarHBondContact O-N 3.35Å; I339-G343 PolarHBondContact O-N 3.12Å; I339-F345 HydrophobicContact CB-CE2 4.28Å; I339-F345 HydrophobicContact CD1-CE2 4.4Å; I339-F345 HydrophobicContact CG1-CE2 3.86Å; I339-F345 HydrophobicContact CG2-CD2 3.78Å; I339-F345 HydrophobicContact CG2-CE2 3.72Å; I339-L372 HydrophobicContact CB-CD1 4.5Å; I339-L372 HydrophobicContact CG2-CD1 3.65Å
340M70Confident71.3Confident77 Ų7750 Ų5038%0.37925%0.254SS..Hα-helixtrans-67.5-34178.5-160176.875.100112.1F336 Q337 N338 M369 K373 M376F336-M340 WeakPolarHBondContact O-CB 3.21Å; F336-M340 PolarHBondContact O-N 3.06Å; Q337-M340 PolarHBondContact O-N 3.08Å; N338-M340 VanDerWaalsContact C-N 3.31Å; N338-M340 PolarHBondContact O-N 3.36Å; M340-M369 HydrophobicContact CG-SD 4.2Å; M340-K373 HydrophobicContact SD-CB 4.48Å; M340-M376 HydrophobicContact CE-SD 4.34Å; M340-M376 HydrophobicContact SD-SD 4.11Å
341K69Low69.8Low145 Ų14547.4 Ų47.463%0.6325%0.245SC*.Hα-helixtrans-70-34.5172.4-74.5174.2-179.6175.40112.8Q337 N338 I339 G343Q337-K341 VanDerWaalsContact O-CG 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.39Å; Q337-K341 PolarHBondContact O-N 3.29Å; N338-K341 PolarHBondContact O-N 3.47Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 3.48Å; K341-G343 PolarHBondContact O-N 3.29Å
342M59.6Low68.4Low46 Ų4650.3 Ų50.323%0.22726%0.26CS..Hα-helixtrans-72.2-12.7179.1-74.4-174-71.700113.2L310 N338 I339 I348L310-M342 HydrophobicContact CD1-CG 3.99Å; L310-M342 HydrophobicContact CD1-SD 4.41Å; L310-M342 HydrophobicContact CD2-CG 4.43Å; N338-M342 HydrophobicContact CB-CE 4.4Å; N338-M342 WeakPolarHBondContact O-CB 3.49Å; N338-M342 VanDerWaalsContact O-CG 3.26Å; N338-M342 WeakPolarHBondContact O-CG 3.46Å; N338-M342 PolarHBondContact O-N 3.07Å; I339-M342 HydrophobicContact CB-CE 4.5Å; I339-M342 HydrophobicContact CG1-CE 4.05Å; I339-M342 PolarHBondContact O-N 3.35Å; M342-I348 HydrophobicContact CB-CD1 4.36Å
343G61.9Low66.6Low19 Ų1953.2 Ų53.220%0.19628%0.278CS..  trans79.5-168.7-178.100000113I339 K341 F345 M369I339-G343 PolarHBondContact O-N 3.12Å; K341-G343 PolarHBondContact O-N 3.29Å; G343-F345 PolarHBondContact O-N 3.47Å; G343-M369 WeakPolarHBondContact O-CE 3.17Å
344P61.8Low65.1Low41 Ų4154.4 Ų54.427%0.26631%0.307SS..  trans-59.3120.7-176.5-2434.5000112.4S346 Q347 E365P344-S346 PolarHBondContact O-N 2.91Å; P344-Q347 WeakPolarHBondContact O-CB 3.33Å; P344-Q347 PolarHBondContact O-N 3.12Å; P344-E365 HydrophobicContact CB-CB 4.18Å; P344-E365 HydrophobicContact CB-CG 4.27Å; P344-E365 HydrophobicContact CG-CB 4.45Å
345F57.9Low63.7Low96 Ų9657 Ų5742%0.42132%0.318SS..Hα-helixtrans-53.6-27.2176.5-115.6-104.8000113.6I339 G343 Q347 I348 L349I339-F345 HydrophobicContact CB-CE2 4.28Å; I339-F345 HydrophobicContact CD1-CE2 4.4Å; I339-F345 HydrophobicContact CG1-CE2 3.86Å; I339-F345 HydrophobicContact CG2-CD2 3.78Å; I339-F345 HydrophobicContact CG2-CE2 3.72Å; G343-F345 PolarHBondContact O-N 3.47Å; F345-Q347 PolarHBondContact O-N 3.3Å; F345-I348 PolarHBondContact O-N 2.85Å; F345-L349 HydrophobicContact CD1-CD1 4.44Å; F345-L349 HydrophobicContact CD1-CG 4.42Å; F345-L349 WeakPolarHBondContact O-CB 3.43Å; F345-L349 WeakPolarHBondContact O-CG 3.36Å; F345-L349 PolarHBondContact O-N 2.87Å
346S60.3Low62.2Low43 Ų4356.6 Ų56.630%0.30133%0.326SS..Hα-helixtrans-52.9-40.4172.1178.60000112.5P344 G350 E365P344-S346 PolarHBondContact O-N 2.91Å; S346-G350 PolarHBondContact O-N 3.04Å; S346-E365 WeakPolarHBondContact CB-OE1 3.15Å; S346-E365 PolarHBondContact OG-OE1 3.32Å
347Q60.3Low60.6Low52 Ų5258.8 Ų58.824%0.24334%0.341CS..Hα-helixtrans-66.2-42.9179.5-166.4-179.48.100111.4E283 P344 F345 G350 M351E283-Q347 PolarHBondContact OE1-NE2 3.47Å; P344-Q347 WeakPolarHBondContact O-CB 3.33Å; P344-Q347 PolarHBondContact O-N 3.12Å; F345-Q347 PolarHBondContact O-N 3.3Å; Q347-G350 PolarHBondContact O-N 3.38Å; Q347-M351 WeakPolarHBondContact O-CG 3.35Å; Q347-M351 PolarHBondContact O-N 2.7Å
348I59.9Low58.8Low38 Ų3863 Ų6320%0.19537%0.366CS..Hα-helixtrans-69.6-45.5178.2-62.1176.3000110.8L303 M342 F345 G350 M351L303-I348 HydrophobicContact CD1-CG2 4.02Å; M342-I348 HydrophobicContact CB-CD1 4.36Å; F345-I348 PolarHBondContact O-N 2.85Å; I348-G350 PolarHBondContact O-N 3.38Å; I348-M351 WeakPolarHBondContact O-CB 3.12Å; I348-M351 PolarHBondContact O-N 3.48Å
349L58.6Low57.3Low53 Ų5368.3 Ų68.328%0.27739%0.388SS..Hα-helixtrans-63.3-33178-70.3175.2000112F345 M351 I352 F355F345-L349 HydrophobicContact CD1-CD1 4.44Å; F345-L349 HydrophobicContact CD1-CG 4.42Å; F345-L349 WeakPolarHBondContact O-CB 3.43Å; F345-L349 WeakPolarHBondContact O-CG 3.36Å; F345-L349 PolarHBondContact O-N 2.87Å; L349-M351 PolarHBondContact O-N 3.27Å; L349-I352 HydrophobicContact CD2-CD1 4.32Å; L349-I352 PolarHBondContact O-N 2.94Å; L349-F355 HydrophobicContact CD2-CD1 4.06Å; L349-F355 HydrophobicContact CD2-CE1 4.26Å
350G59.8Low56.1Low35 Ų3572.6 Ų72.636%0.36141%0.409SS..THydrogen-bonded Turntrans-67.1-16.5172.800000114.4S346 Q347 I348S346-G350 PolarHBondContact O-N 3.04Å; Q347-G350 PolarHBondContact O-N 3.38Å; I348-G350 PolarHBondContact O-N 3.38Å
351M57.2Low54.8Low15 Ų1573.9 Ų73.97%0.07443%0.425CS..THydrogen-bonded Turntrans-87.7-16.9174.9-62.7173.8105.600112.4D299 L303 Q347 I348 L349 P353D299-M351 HydrophobicContact CB-CB 4.37Å; D299-M351 HydrophobicContact CB-CE 4.29Å; D299-M351 HydrophobicContact CB-CG 4.32Å; D299-M351 PolarHBondContact N-O 2.93Å; D299-M351 VanDerWaalsContact OD2-CE 3.29Å; D299-M351 WeakPolarHBondContact OD2-CE 3.46Å; L303-M351 HydrophobicContact CB-CB 4.32Å; Q347-M351 WeakPolarHBondContact O-CG 3.35Å; Q347-M351 PolarHBondContact O-N 2.7Å; I348-M351 WeakPolarHBondContact O-CB 3.12Å; I348-M351 PolarHBondContact O-N 3.48Å; L349-M351 PolarHBondContact O-N 3.27Å; M351-P353 WeakPolarHBondContact O-CD 3.34Å
352I53.9Low53.6Low65 Ų6577 Ų7733%0.33344%0.439SS..SBendtrans-85.7120.4-178.1-59.3176.1000110.4L303 L349 G354 F355L303-I352 HydrophobicContact CD2-CG1 4.47Å; L349-I352 HydrophobicContact CD2-CD1 4.32Å; L349-I352 PolarHBondContact O-N 2.94Å; I352-G354 PolarHBondContact O-N 3.03Å; I352-F355 HydrophobicContact CB-CB 4.41Å; I352-F355 HydrophobicContact CG2-CB 4.29Å
353P46.9Very low53.3Low64 Ų6477.8 Ų77.842%0.41646%0.459SS..THydrogen-bonded Turntrans-58134.6178-20.830.3000112.3M297 I300 M351 F355M297-P353 WeakPolarHBondContact O-CB 3.31Å; I300-P353 HydrophobicContact CD1-CG 4.08Å; I300-P353 HydrophobicContact CG1-CG 3.99Å; M351-P353 WeakPolarHBondContact O-CD 3.34Å; P353-F355 VanDerWaalsContact C-N 3.33Å; P353-F355 PolarHBondContact O-N 3.24Å
354G55.5Low53.1Low79 Ų7981.9 Ų81.981%0.81448%0.476SS*.THydrogen-bonded Turntrans82.6-4.9172.200000116.5I352I352-G354 PolarHBondContact O-N 3.03Å
355F54.2Low53.1Low115 Ų11584.3 Ų84.350%0.50448%0.484SS..  trans-95.8-13.2-178.8-135.1-96.7000114L349 I352 P353 T357L349-F355 HydrophobicContact CD2-CD1 4.06Å; L349-F355 HydrophobicContact CD2-CE1 4.26Å; I352-F355 HydrophobicContact CB-CB 4.41Å; I352-F355 HydrophobicContact CG2-CB 4.29Å; P353-F355 VanDerWaalsContact C-N 3.33Å; P353-F355 PolarHBondContact O-N 3.24Å; F355-T357 PolarHBondContact O-N 3.45Å
356G48.9Very low53.4Low39 Ų3987.9 Ų87.940%0.40250%0.502SS..THydrogen-bonded Turntrans-87.815.3-157.200000119.6
357T48Very low53.9Low67 Ų6789.6 Ų89.641%0.41151%0.505SS..THydrogen-bonded Turntrans-120-39.6-177.111.80000116.3F355F355-T357 PolarHBondContact O-N 3.45Å
358D43.3Very low54.6Low160 Ų16090.4 Ų90.486%0.85652%0.516SS*.THydrogen-bonded Turntrans-108-18-166.9-64.4-32.2000114.7
359F42.7Very low55.3Low151 Ų15190.4 Ų90.466%0.66252%0.516SS*.SBendtrans-91.9-2.1179.5-157.9-101.5000113.7S361F359-S361 PolarHBondContact O-N 3.38Å
360M47.3Very low56.4Low125 Ų12590.6 Ų90.662%0.61653%0.526SS*.  trans-7768172.6-64.4-140.6-65.100110.3K362M360-K362 PolarHBondContact O-N 3.12Å
361S44Very low57.6Low104 Ų10496.5 Ų96.573%0.72754%0.537SS*.  trans-59.6108.9166.351.10000108.6F359 G363F359-S361 PolarHBondContact O-N 3.38Å; S361-G363 PolarHBondContact O-N 2.95Å
362K43.9Very low58.9Low210 Ų21097.2 Ų97.291%0.91354%0.541SS*.SBendtrans14.891.9167.6-65.9-177.3179-179.30113.9M360M360-K362 PolarHBondContact O-N 3.12Å
363G53.1Low60.5Low63 Ų63100.5 Ų100.565%0.64955%0.553SS**  trans-59.6133-173.400000114.8S361S361-G363 PolarHBondContact O-N 2.95Å
364N56.4Low62.6Low104 Ų104102 Ų10256%0.55655%0.553SS**  trans-134.790.2141.6-80-19.9000106.6Q366 E367 S368N364-Q366 PolarHBondContact O-N 2.81Å; N364-E367 HydrophobicContact CB-CB 3.42Å; N364-E367 VanDerWaalsContact CB-CB 3.42Å; N364-E367 HydrophobicContact CB-CG 4.49Å; N364-E367 WeakPolarHBondContact CB-OE2 3.46Å; N364-E367 PolarHBondContact ND2-OE2 3.35Å; N364-E367 WeakPolarHBondContact O-CB 3.34Å; N364-E367 PolarHBondContact O-N 3.31Å; N364-E367 VanDerWaalsContact O-N 3.08Å; N364-S368 PolarHBondContact O-N 3.42Å; N364-S368 PolarHBondContact O-OG 2.96Å
365E62.6Low64.3Low93 Ų9399.4 Ų99.444%0.43552%0.52SS..Hα-helixtrans-58.9-39-180-67.9-17917800111.5P344 S346 E367 S368 M369P344-E365 HydrophobicContact CB-CB 4.18Å; P344-E365 HydrophobicContact CB-CG 4.27Å; P344-E365 HydrophobicContact CG-CB 4.45Å; S346-E365 WeakPolarHBondContact CB-OE1 3.15Å; S346-E365 PolarHBondContact OG-OE1 3.32Å; E365-E367 VanDerWaalsContact C-N 3.34Å; E365-E367 PolarHBondContact O-N 3.43Å; E365-S368 PolarHBondContact O-N 2.87Å; E365-M369 PolarHBondContact O-N 3.31Å; E365-M369 VanDerWaalsContact O-N 3.12Å
366Q64Low66Low171 Ų17194.6 Ų94.680%0.79950%0.499SS*.Hα-helixtrans-66.3-34.1175.1-168.6172-10.600112.6N364 M369 A370N364-Q366 PolarHBondContact O-N 2.81Å; Q366-M369 PolarHBondContact O-N 3.45Å; Q366-A370 VanDerWaalsContact O-CB 3.28Å; Q366-A370 WeakPolarHBondContact O-CB 3.29Å; Q366-A370 PolarHBondContact O-N 3.49Å
367E71.8Confident68.1Low79 Ų7995.3 Ų95.337%0.36950%0.496SS..Hα-helixtrans-70.4-36.5175.9-169.6-173.9159.200111.2N364 E365 A370 R371N364-E367 HydrophobicContact CB-CB 3.42Å; N364-E367 VanDerWaalsContact CB-CB 3.42Å; N364-E367 HydrophobicContact CB-CG 4.49Å; N364-E367 WeakPolarHBondContact CB-OE2 3.46Å; N364-E367 PolarHBondContact ND2-OE2 3.35Å; N364-E367 WeakPolarHBondContact O-CB 3.34Å; N364-E367 PolarHBondContact O-N 3.31Å; N364-E367 VanDerWaalsContact O-N 3.08Å; E365-E367 VanDerWaalsContact C-N 3.34Å; E365-E367 PolarHBondContact O-N 3.43Å; E367-A370 PolarHBondContact O-N 3.15Å; E367-R371 WeakPolarHBondContact O-CB 3.31Å; E367-R371 WeakPolarHBondContact O-CG 3.19Å; E367-R371 PolarHBondContact O-N 3.15Å; E367-R371 IonicContact OE1-CZ 2.86Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 2.9Å; E367-R371 IonicContact OE1-NH2 3.99Å; E367-R371 PolarHBondContact OE1-NH2 3.5Å
368S74.4Confident70.4Confident68 Ų6892.1 Ų92.148%0.47648%0.477SS..Hα-helixtrans-63.2-43.5174.8-590000111.3N364 E365 R371 L372N364-S368 PolarHBondContact O-N 3.42Å; N364-S368 PolarHBondContact O-OG 2.96Å; E365-S368 PolarHBondContact O-N 2.87Å; S368-R371 PolarHBondContact O-N 3.41Å; S368-L372 WeakPolarHBondContact O-CG 3.3Å; S368-L372 PolarHBondContact O-N 2.93Å
369M75Confident72.7Confident38 Ų3884.5 Ų84.519%0.18744%0.436CS..Hα-helixtrans-67.6-40.6174.8-70.6-62.3153.800112.7M340 G343 E365 Q366 R371 L372 K373M340-M369 HydrophobicContact CG-SD 4.2Å; G343-M369 WeakPolarHBondContact O-CE 3.17Å; E365-M369 PolarHBondContact O-N 3.31Å; E365-M369 VanDerWaalsContact O-N 3.12Å; Q366-M369 PolarHBondContact O-N 3.45Å; M369-R371 VanDerWaalsContact C-N 3.3Å; M369-R371 PolarHBondContact O-N 3.26Å; M369-L372 HydrophobicContact CE-CD1 4.45Å; M369-L372 PolarHBondContact O-N 2.93Å; M369-L372 HydrophobicContact SD-CD1 4.21Å; M369-K373 WeakPolarHBondContact O-CB 3.23Å; M369-K373 PolarHBondContact O-N 3.12Å
370A82.1Confident75.2Confident58 Ų5882 Ų8248%0.47943%0.429SS..Hα-helixtrans-62.1-38.3174.800000111.8Q366 E367 K373 K374Q366-A370 VanDerWaalsContact O-CB 3.28Å; Q366-A370 WeakPolarHBondContact O-CB 3.29Å; Q366-A370 PolarHBondContact O-N 3.49Å; E367-A370 PolarHBondContact O-N 3.15Å; A370-K373 PolarHBondContact O-N 3.09Å; A370-K374 WeakPolarHBondContact O-CB 3.22Å; A370-K374 PolarHBondContact O-N 3.25Å
371R83.5Confident77.5Confident159 Ų15977.3 Ų77.360%0.641%0.409SS*.Hα-helixtrans-63.7-46.1173.8-75.4171.5-176.1-143.45.4111.7E367 S368 M369 K374 L375E367-R371 WeakPolarHBondContact O-CB 3.31Å; E367-R371 WeakPolarHBondContact O-CG 3.19Å; E367-R371 PolarHBondContact O-N 3.15Å; E367-R371 IonicContact OE1-CZ 2.86Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 2.9Å; E367-R371 IonicContact OE1-NH2 3.99Å; E367-R371 PolarHBondContact OE1-NH2 3.5Å; S368-R371 PolarHBondContact O-N 3.41Å; M369-R371 VanDerWaalsContact C-N 3.3Å; M369-R371 PolarHBondContact O-N 3.26Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.04Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.08Å
372L84.8Confident80Confident30 Ų3073 Ų7316%0.15738%0.378CS..Hα-helixtrans-61-45.4175.9-70.4177.6000111.5F336 I339 S368 M369 K374 L375 M376F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.36Å; F336-L372 HydrophobicContact CE1-CD2 4.05Å; F336-L372 HydrophobicContact CE2-CD2 4.48Å; F336-L372 HydrophobicContact CG-CD2 4.1Å; F336-L372 HydrophobicContact CZ-CD2 4.34Å; I339-L372 HydrophobicContact CB-CD1 4.5Å; I339-L372 HydrophobicContact CG2-CD1 3.65Å; S368-L372 WeakPolarHBondContact O-CG 3.3Å; S368-L372 PolarHBondContact O-N 2.93Å; M369-L372 HydrophobicContact CE-CD1 4.45Å; M369-L372 PolarHBondContact O-N 2.93Å; M369-L372 HydrophobicContact SD-CD1 4.21Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 2.95Å; L372-L375 PolarHBondContact O-N 3.23Å; L372-L375 VanDerWaalsContact O-N 3.14Å; L372-M376 WeakPolarHBondContact O-CG 3.42Å; L372-M376 PolarHBondContact O-N 3.32Å
373K88.2Confident82.4Confident134 Ų13465.9 Ų65.958%0.58335%0.349SS*.Hα-helixtrans-60.1-41.2175.7-169.7176.5-177.4178.90111.9M340 M369 A370 M376 T377M340-K373 HydrophobicContact SD-CB 4.48Å; M369-K373 WeakPolarHBondContact O-CB 3.23Å; M369-K373 PolarHBondContact O-N 3.12Å; A370-K373 PolarHBondContact O-N 3.09Å; K373-M376 WeakPolarHBondContact O-CB 3.44Å; K373-M376 PolarHBondContact O-N 2.91Å; K373-T377 WeakPolarHBondContact O-CG2 3.35Å; K373-T377 PolarHBondContact O-N 3.35Å; K373-T377 PolarHBondContact O-OG1 3.16Å
374K90.8Very high84.3Confident95 Ų9568.1 Ų68.141%0.41335%0.346SS..Hα-helixtrans-58.8-47.6173.5-174.8-177.8177.3-174.50111A370 R371 L372 M376 T377 I378 V412 D416A370-K374 WeakPolarHBondContact O-CB 3.22Å; A370-K374 PolarHBondContact O-N 3.25Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.04Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 2.95Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 3.42Å; K374-T377 PolarHBondContact O-N 3.16Å; K374-T377 PolarHBondContact O-OG1 3.29Å; K374-I378 WeakPolarHBondContact O-CG1 3.19Å; K374-I378 PolarHBondContact O-N 3.41Å; K374-I378 VanDerWaalsContact O-N 3.14Å; K374-V412 HydrophobicContact CG-CG1 4.46Å; K374-D416 WeakPolarHBondContact CE-OD2 3.33Å; K374-D416 IonicContact NZ-OD2 3.49Å; K374-D416 PolarHBondContact NZ-OD2 2.88Å
375L90.6Very high86Confident25 Ų2569.1 Ų69.113%0.13135%0.348CS..Hα-helixtrans-61.4-38.5177.1-64.8173.1000112.2F336 R371 L372 I378 M379 L420F336-L375 HydrophobicContact CD2-CB 4.25Å; F336-L375 HydrophobicContact CE2-CB 3.9Å; F336-L375 HydrophobicContact CE2-CD1 3.7Å; F336-L375 HydrophobicContact CE2-CG 4.45Å; F336-L375 HydrophobicContact CZ-CD1 4.05Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.08Å; L372-L375 PolarHBondContact O-N 3.23Å; L372-L375 VanDerWaalsContact O-N 3.14Å; L375-I378 HydrophobicContact CD2-CD1 4.47Å; L375-I378 WeakPolarHBondContact O-CB 3.48Å; L375-I378 PolarHBondContact O-N 2.94Å; L375-M379 PolarHBondContact O-N 3.29Å; L375-M379 VanDerWaalsContact O-N 3.1Å; L375-L420 HydrophobicContact CB-CD1 4.05Å; L375-L420 HydrophobicContact CD2-CB 3.89Å; L375-L420 HydrophobicContact CD2-CD1 3.68Å; L375-L420 HydrophobicContact CD2-CG 3.92Å; L375-L420 HydrophobicContact CG-CD1 4.47Å
376M90.6Very high87.5Confident13 Ų1364.7 Ų64.76%0.06433%0.327CS..Hα-helixtrans-61.8-45.7174.2-68.5177.771.500111.7Y333 F336 Q337 M340 L372 K373 K374 I378 M379 D380Y333-M376 HydrophobicContact CD1-CE 4.47Å; Y333-M376 HydrophobicContact CD2-CG 4.44Å; Y333-M376 HydrophobicContact CE1-CE 3.8Å; Y333-M376 HydrophobicContact CE2-CB 3.94Å; Y333-M376 HydrophobicContact CE2-CE 3.99Å; Y333-M376 HydrophobicContact CE2-CG 4.19Å; F336-M376 HydrophobicContact CB-CG 4.15Å; F336-M376 HydrophobicContact CB-SD 4.31Å; Q337-M376 HydrophobicContact CB-CE 3.95Å; Q337-M376 HydrophobicContact CG-CE 4.15Å; M340-M376 HydrophobicContact CE-SD 4.34Å; M340-M376 HydrophobicContact SD-SD 4.11Å; L372-M376 WeakPolarHBondContact O-CG 3.42Å; L372-M376 PolarHBondContact O-N 3.32Å; K373-M376 WeakPolarHBondContact O-CB 3.44Å; K373-M376 PolarHBondContact O-N 2.91Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 3.42Å; M376-I378 PolarHBondContact O-N 3.06Å; M376-M379 HydrophobicContact CG-CE 4.34Å; M376-M379 CarbonylContact O-C 3.5Å; M376-M379 WeakPolarHBondContact O-CA 3.49Å; M376-M379 WeakPolarHBondContact O-CB 3.36Å; M376-M379 PolarHBondContact O-N 3.21Å; M376-D380 VanDerWaalsContact O-CG 3.24Å; M376-D380 PolarHBondContact O-N 2.87Å
377T93.9Very high88.7Confident54 Ų5457.2 Ų57.233%0.33129%0.293SS..Hα-helixtrans-62.5-28.617756.60000113.7K373 K374 D380 S381 S410K373-T377 WeakPolarHBondContact O-CG2 3.35Å; K373-T377 PolarHBondContact O-N 3.35Å; K373-T377 PolarHBondContact O-OG1 3.16Å; K374-T377 PolarHBondContact O-N 3.16Å; K374-T377 PolarHBondContact O-OG1 3.29Å; T377-D380 WeakPolarHBondContact CA-OD2 3.42Å; T377-S381 PolarHBondContact O-N 3.25Å; T377-S381 PolarHBondContact O-OG 3.34Å; T377-S410 WeakPolarHBondContact O-CB 3.43Å
378I94.9Very high89.6Confident1 Ų157.1 Ų57.11%0.00529%0.294CS..Hα-helixtrans-68.4-43.9172-63.1172.9000110.1K374 L375 M376 S381 M382 V406 V412 D416 V417 L420K374-I378 WeakPolarHBondContact O-CG1 3.19Å; K374-I378 PolarHBondContact O-N 3.41Å; K374-I378 VanDerWaalsContact O-N 3.14Å; L375-I378 HydrophobicContact CD2-CD1 4.47Å; L375-I378 WeakPolarHBondContact O-CB 3.48Å; L375-I378 PolarHBondContact O-N 2.94Å; M376-I378 PolarHBondContact O-N 3.06Å; I378-S381 WeakPolarHBondContact O-CB 3.5Å; I378-S381 PolarHBondContact O-N 3.33Å; I378-M382 HydrophobicContact CG2-CE 4.29Å; I378-V406 HydrophobicContact CG2-CG1 3.54Å; I378-V406 WeakPolarHBondContact O-CG1 3.43Å; I378-V412 HydrophobicContact CD1-CB 4.47Å; I378-V412 HydrophobicContact CD1-CG1 4.14Å; I378-V412 HydrophobicContact CD1-CG2 3.97Å; I378-V412 HydrophobicContact CG1-CG1 3.97Å; I378-V412 HydrophobicContact CG1-CG2 3.91Å; I378-D416 HydrophobicContact CD1-CB 4.4Å; I378-V417 HydrophobicContact CG2-CG1 4.41Å; I378-V417 HydrophobicContact CG2-CG2 4.09Å; I378-L420 HydrophobicContact CB-CD1 3.81Å; I378-L420 HydrophobicContact CD1-CD1 4.25Å; I378-L420 HydrophobicContact CG2-CD1 3.73Å
379M93Very high90.2Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-68.5-32.1176.6-69.8-173.7-74.400112.7L329 M332 Y333 F336 L375 M376 S381 M382 L387 L420L329-M379 HydrophobicContact CD2-SD 4.46Å; M332-M379 HydrophobicContact CE-CE 3.96Å; M332-M379 HydrophobicContact CE-SD 3.49Å; M332-M379 WeakPolarHBondContact CE-SD 3.23Å; Y333-M379 HydrophobicContact CD2-CB 3.72Å; Y333-M379 HydrophobicContact CD2-CE 3.72Å; Y333-M379 HydrophobicContact CD2-SD 4.14Å; Y333-M379 HydrophobicContact CE2-CB 4.21Å; Y333-M379 HydrophobicContact CG-CE 4.33Å; F336-M379 HydrophobicContact CD2-CE 3.51Å; F336-M379 HydrophobicContact CE2-CE 3.91Å; L375-M379 PolarHBondContact O-N 3.29Å; L375-M379 VanDerWaalsContact O-N 3.1Å; M376-M379 HydrophobicContact CG-CE 4.34Å; M376-M379 CarbonylContact O-C 3.5Å; M376-M379 WeakPolarHBondContact O-CA 3.49Å; M376-M379 WeakPolarHBondContact O-CB 3.36Å; M376-M379 PolarHBondContact O-N 3.21Å; M379-S381 PolarHBondContact O-N 2.81Å; M379-M382 HydrophobicContact CG-CE 4.47Å; M379-M382 HydrophobicContact CG-SD 4.33Å; M379-M382 VanDerWaalsContact O-CB 3.26Å; M379-M382 WeakPolarHBondContact O-CB 3.49Å; M379-M382 PolarHBondContact O-N 3.24Å; M379-L387 HydrophobicContact CB-CD2 4.27Å; M379-L420 HydrophobicContact CG-CD1 4.03Å
380D94.6Very high90.4Very high97 Ų9758.4 Ų58.452%0.51930%0.303SS..Hα-helixtrans-61.9-21.8173-64.4-28.6000112Y333 M376 T377 M382Y333-D380 WeakPolarHBondContact CE2-OD1 3.28Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.3Å; Y333-D380 PolarHBondContact OH-OD1 2.85Å; M376-D380 VanDerWaalsContact O-CG 3.24Å; M376-D380 PolarHBondContact O-N 2.87Å; T377-D380 WeakPolarHBondContact CA-OD2 3.42Å; D380-M382 VanDerWaalsContact C-N 3.35Å
381S95.8Very high90.5Very high27 Ų2759.1 Ų59.119%0.18930%0.299CS..THydrogen-bonded Turntrans-87.4-1.3174.4-62.30000114T377 I378 M379 R405 G409 S410T377-S381 PolarHBondContact O-N 3.25Å; T377-S381 PolarHBondContact O-OG 3.34Å; I378-S381 WeakPolarHBondContact O-CB 3.5Å; I378-S381 PolarHBondContact O-N 3.33Å; M379-S381 PolarHBondContact O-N 2.81Å; S381-R405 PolarHBondContact O-NH2 3.42Å; S381-G409 VanDerWaalsContact OG-C 3.3Å; S381-S410 PolarHBondContact OG-N 2.96Å
382M95.5Very high90.5Very high15 Ų1551.5 Ų51.57%0.07427%0.27CS..SBendtrans-89.3154.6174.2-58.8-176.9-179.700110.5L329 I378 M379 D380 E386 L387 F396 V406 L420 L421L329-M382 HydrophobicContact CD1-CE 4.48Å; L329-M382 HydrophobicContact CD1-SD 3.84Å; I378-M382 HydrophobicContact CG2-CE 4.29Å; M379-M382 HydrophobicContact CG-CE 4.47Å; M379-M382 HydrophobicContact CG-SD 4.33Å; M379-M382 VanDerWaalsContact O-CB 3.26Å; M379-M382 WeakPolarHBondContact O-CB 3.49Å; M379-M382 PolarHBondContact O-N 3.24Å; D380-M382 VanDerWaalsContact C-N 3.35Å; M382-E386 WeakPolarHBondContact CA-OE2 3.43Å; M382-E386 HydrophobicContact CB-CB 4.1Å; M382-E386 WeakPolarHBondContact CB-OE2 3.25Å; M382-L387 HydrophobicContact CB-CD2 3.94Å; M382-L387 HydrophobicContact CB-CG 3.92Å; M382-L387 HydrophobicContact SD-CD2 4.04Å; M382-F396 HydrophobicContact CE-CE1 4.45Å; M382-F396 HydrophobicContact CE-CE2 4.09Å; M382-F396 HydrophobicContact CE-CZ 3.75Å; M382-F396 HydrophobicContact CG-CZ 3.9Å; M382-F396 HydrophobicContact SD-CE2 3.99Å; M382-F396 HydrophobicContact SD-CZ 3.64Å; M382-V406 HydrophobicContact CE-CG1 4.44Å; M382-V406 HydrophobicContact CG-CG2 3.96Å; M382-L420 HydrophobicContact CE-CD2 4.13Å; M382-L421 HydrophobicContact CE-CD2 4.48Å
383N94.6Very high90.6Very high60 Ų6050.6 Ų50.632%0.32127%0.267SS..  trans-95.7167.5174.570-5.9000111.6Q385 E386 L387N383-Q385 PolarHBondContact O-N 3.4Å; N383-E386 PolarHBondContact N-OE2 3.33Å; N383-E386 WeakPolarHBondContact O-CA 3.47Å; N383-E386 WeakPolarHBondContact O-CB 3.44Å; N383-E386 PolarHBondContact O-N 2.98Å; N383-E386 VanDerWaalsContact OD1-CB 3.28Å; N383-E386 WeakPolarHBondContact OD1-CB 3.42Å; N383-E386 WeakPolarHBondContact OD1-CG 3.44Å; N383-E386 PolarHBondContact OD1-N 3.28Å; N383-E386 PolarHBondContact OD1-OE1 2.83Å; N383-E386 PolarHBondContact OD1-OE2 3.01Å; N383-L387 PolarHBondContact O-N 2.82Å
384D93.9Very high90.7Very high109 Ų10949.7 Ų49.758%0.58326%0.263SS*.Hα-helixtrans-57.3-36.3-177.5-60.9-40.3000112.6R330 E386 L387 D388R330-D384 IonicContact CZ-OD1 2.58Å; R330-D384 IonicContact NH2-OD1 3.22Å; R330-D384 PolarHBondContact NH2-OD1 3.49Å; D384-E386 VanDerWaalsContact C-N 3.31Å; D384-E386 PolarHBondContact O-N 3.38Å; D384-L387 PolarHBondContact O-N 3.5Å; D384-D388 VanDerWaalsContact O-CB 3.28Å; D384-D388 WeakPolarHBondContact O-CB 3.29Å; D384-D388 PolarHBondContact O-N 3.27Å
385Q92.3Very high90.7Very high125 Ų12546.3 Ų46.358%0.58425%0.25SS*.Hα-helixtrans-61.8-37.7175.2-171.2-174.520.100112.8N383 S389N383-Q385 PolarHBondContact O-N 3.4Å; Q385-S389 WeakPolarHBondContact O-CB 3.47Å; Q385-S389 PolarHBondContact O-N 3.46Å
386E92.3Very high90.7Very high0 Ų045.2 Ų45.20%024%0.244CC..Hα-helixtrans-74.8-37.9177.2-72.8154.8-168.900111.5M382 N383 D384 V395 F396 R402 R405M382-E386 WeakPolarHBondContact CA-OE2 3.43Å; M382-E386 HydrophobicContact CB-CB 4.1Å; M382-E386 WeakPolarHBondContact CB-OE2 3.25Å; N383-E386 PolarHBondContact N-OE2 3.33Å; N383-E386 WeakPolarHBondContact O-CA 3.47Å; N383-E386 WeakPolarHBondContact O-CB 3.44Å; N383-E386 PolarHBondContact O-N 2.98Å; N383-E386 VanDerWaalsContact OD1-CB 3.28Å; N383-E386 WeakPolarHBondContact OD1-CB 3.42Å; N383-E386 WeakPolarHBondContact OD1-CG 3.44Å; N383-E386 PolarHBondContact OD1-N 3.28Å; N383-E386 PolarHBondContact OD1-OE1 2.83Å; N383-E386 PolarHBondContact OD1-OE2 3.01Å; D384-E386 VanDerWaalsContact C-N 3.31Å; D384-E386 PolarHBondContact O-N 3.38Å; E386-V395 HydrophobicContact CG-CG1 4.12Å; E386-F396 HydrophobicContact CB-CE2 4.07Å; E386-F396 HydrophobicContact CB-CZ 3.79Å; E386-F396 HydrophobicContact CG-CE1 4.29Å; E386-F396 HydrophobicContact CG-CE2 4.22Å; E386-F396 HydrophobicContact CG-CZ 3.74Å; E386-R402 VanDerWaalsContact OE1-CD 3.31Å; E386-R402 WeakPolarHBondContact OE1-CD 3.43Å; E386-R402 IonicContact OE1-CZ 3.68Å; E386-R402 IonicContact OE1-NE 3.88Å; E386-R402 IonicContact OE1-NH1 2.72Å; E386-R402 PolarHBondContact OE1-NH1 3.47Å; E386-R405 VanDerWaalsContact CD-NH2 3.31Å; E386-R405 IonicContact OE1-CZ 3.38Å; E386-R405 IonicContact OE1-NH1 2.78Å; E386-R405 PolarHBondContact OE1-NH1 3.49Å; E386-R405 IonicContact OE1-NH2 3.13Å; E386-R405 PolarHBondContact OE1-NH2 3.31Å; E386-R405 VanDerWaalsContact OE1-NH2 3.13Å; E386-R405 IonicContact OE2-CZ 3.67Å; E386-R405 IonicContact OE2-NH1 3.8Å; E386-R405 IonicContact OE2-NH2 2.67Å; E386-R405 PolarHBondContact OE2-NH2 3.43Å
387L91.3Very high90.7Very high15 Ų1549.2 Ų49.28%0.07927%0.274CS..Hα-helixtrans-74.6-43.3-178-70.5174.8000113.4T328 L329 R330 M379 M382 N383 D384T328-L387 WeakPolarHBondContact CB-O 3.48Å; L329-L387 HydrophobicContact CB-CD2 4Å; L329-L387 PolarHBondContact N-O 3.5Å; R330-L387 HydrophobicContact CB-CB 4.3Å; R330-L387 PolarHBondContact N-O 3.33Å; R330-L387 VanDerWaalsContact N-O 3.09Å; M379-L387 HydrophobicContact CB-CD2 4.27Å; M382-L387 HydrophobicContact CB-CD2 3.94Å; M382-L387 HydrophobicContact CB-CG 3.92Å; M382-L387 HydrophobicContact SD-CD2 4.04Å; N383-L387 PolarHBondContact O-N 2.82Å; D384-L387 PolarHBondContact O-N 3.5Å
388D89.1Confident90.5Very high76 Ų7654.2 Ų54.241%0.40629%0.291SS..SBendtrans-931.5-174.5-62.4-51.9000113.3R330 D384 T390R330-D388 VanDerWaalsContact CD-OD1 3.28Å; R330-D388 WeakPolarHBondContact CD-OD1 3.22Å; R330-D388 IonicContact CZ-OD1 3.17Å; R330-D388 IonicContact CZ-OD2 2.81Å; R330-D388 VanDerWaalsContact NE-CG 3.34Å; R330-D388 IonicContact NE-OD1 2.69Å; R330-D388 PolarHBondContact NE-OD1 3.3Å; R330-D388 IonicContact NE-OD2 2.69Å; R330-D388 PolarHBondContact NE-OD2 3.35Å; R330-D388 IonicContact NH2-OD1 2.83Å; R330-D388 IonicContact NH2-OD2 2.7Å; R330-D388 PolarHBondContact NH2-OD2 3.05Å; D384-D388 VanDerWaalsContact O-CB 3.28Å; D384-D388 WeakPolarHBondContact O-CB 3.29Å; D384-D388 PolarHBondContact O-N 3.27Å; D388-T390 PolarHBondContact O-N 3.08Å
389S87.8Confident90.4Very high31 Ų3158.9 Ų58.922%0.21731%0.313CS..SBendtrans-63.8135.1172.4175.90000110.9Q385 D391 V395Q385-S389 WeakPolarHBondContact O-CB 3.47Å; Q385-S389 PolarHBondContact O-N 3.46Å; S389-D391 PolarHBondContact O-N 3.43Å; S389-D391 VanDerWaalsContact O-N 3.09Å; S389-D391 PolarHBondContact OG-N 2.9Å; S389-D391 PolarHBondContact OG-O 3.28Å; S389-D391 VanDerWaalsContact OG-O 3.11Å; S389-V395 WeakPolarHBondContact OG-CG2 3.34Å
390T79.8Confident90.4Very high102 Ų10262.9 Ų62.963%0.62634%0.339SS*.THydrogen-bonded Turntrans-55.5-28.4174.6-41.20000112.8D388D388-T390 PolarHBondContact O-N 3.08Å
391D82.5Confident90.3Very high73 Ų7360.8 Ų60.839%0.3934%0.34SS..THydrogen-bonded Turntrans-135.887.1170.8-173-15.2000108.5S389 A393 K394S389-D391 PolarHBondContact O-N 3.43Å; S389-D391 VanDerWaalsContact O-N 3.09Å; S389-D391 PolarHBondContact OG-N 2.9Å; S389-D391 PolarHBondContact OG-O 3.28Å; S389-D391 VanDerWaalsContact OG-O 3.11Å; D391-A393 VanDerWaalsContact C-N 3.3Å; D391-A393 PolarHBondContact O-N 3.4Å; D391-A393 PolarHBondContact OD1-N 3.31Å; D391-K394 HydrophobicContact CB-CB 3.98Å; D391-K394 VanDerWaalsContact CG-CB 3.48Å; D391-K394 PolarHBondContact O-N 3.18Å; D391-K394 PolarHBondContact OD1-N 2.84Å; D391-K394 VanDerWaalsContact OD1-N 3.11Å
392G84.3Confident90.2Very high0 Ų061.4 Ų61.40%034%0.338CS..Hα-helixtrans-54.9-45.1178.300000112.2K394 V395 F396G392-K394 VanDerWaalsContact C-N 3.3Å; G392-K394 PolarHBondContact O-N 2.91Å; G392-V395 WeakPolarHBondContact O-CB 3.44Å; G392-V395 PolarHBondContact O-N 2.78Å; G392-V395 VanDerWaalsContact O-N 3.08Å; G392-F396 WeakPolarHBondContact O-CD2 3.34Å
393A87.9Confident90.2Very high11 Ų1161.5 Ų61.59%0.09134%0.339CS..Hα-helixtrans-58.2-40.4-179.300000112.7D391 V395 F396 S397 Y424D391-A393 VanDerWaalsContact C-N 3.3Å; D391-A393 PolarHBondContact O-N 3.4Å; D391-A393 PolarHBondContact OD1-N 3.31Å; A393-V395 VanDerWaalsContact C-N 3.29Å; A393-V395 PolarHBondContact O-N 3.3Å; A393-F396 PolarHBondContact O-N 3.47Å; A393-S397 PolarHBondContact O-N 2.89Å; A393-S397 PolarHBondContact O-OG 2.86Å; A393-Y424 HydrophobicContact CB-CD1 4.06Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å
394K89.2Confident90.1Very high114 Ų11463.4 Ų63.450%0.49635%0.346SS..Hα-helixtrans-63.2-31.6178.2-172.9175.4-175.2176.50113.6D391 G392 S397 K398D391-K394 HydrophobicContact CB-CB 3.98Å; D391-K394 VanDerWaalsContact CG-CB 3.48Å; D391-K394 PolarHBondContact O-N 3.18Å; D391-K394 PolarHBondContact OD1-N 2.84Å; D391-K394 VanDerWaalsContact OD1-N 3.11Å; G392-K394 VanDerWaalsContact C-N 3.3Å; G392-K394 PolarHBondContact O-N 2.91Å; K394-S397 PolarHBondContact O-N 3Å; K394-K398 WeakPolarHBondContact O-CG 3.05Å; K394-K398 PolarHBondContact O-N 3.38Å
395V90.9Very high90.3Very high25 Ų2562.3 Ų62.315%0.15233%0.333CS..Hα-helixtrans-64.1-44176.7-1800000110.3E386 S389 G392 A393 K398 Q399E386-V395 HydrophobicContact CG-CG1 4.12Å; S389-V395 WeakPolarHBondContact OG-CG2 3.34Å; G392-V395 WeakPolarHBondContact O-CB 3.44Å; G392-V395 PolarHBondContact O-N 2.78Å; G392-V395 VanDerWaalsContact O-N 3.08Å; A393-V395 VanDerWaalsContact C-N 3.29Å; A393-V395 PolarHBondContact O-N 3.3Å; V395-K398 PolarHBondContact O-N 2.9Å; V395-Q399 PolarHBondContact O-N 3.32Å; V395-Q399 VanDerWaalsContact O-N 3.14Å
396F91Very high90.4Very high1 Ų156.4 Ų56.40%0.00431%0.306CS..Hα-helixtrans-69.1-33176.7-66-81.6000112.9L329 M382 E386 G392 A393 Q399 P400 R402 I403 V406 L421L329-F396 HydrophobicContact CD1-CE2 4Å; M382-F396 HydrophobicContact CE-CE1 4.45Å; M382-F396 HydrophobicContact CE-CE2 4.09Å; M382-F396 HydrophobicContact CE-CZ 3.75Å; M382-F396 HydrophobicContact CG-CZ 3.9Å; M382-F396 HydrophobicContact SD-CE2 3.99Å; M382-F396 HydrophobicContact SD-CZ 3.64Å; E386-F396 HydrophobicContact CB-CE2 4.07Å; E386-F396 HydrophobicContact CB-CZ 3.79Å; E386-F396 HydrophobicContact CG-CE1 4.29Å; E386-F396 HydrophobicContact CG-CE2 4.22Å; E386-F396 HydrophobicContact CG-CZ 3.74Å; G392-F396 WeakPolarHBondContact O-CD2 3.34Å; A393-F396 PolarHBondContact O-N 3.47Å; F396-Q399 CarbonylContact O-C 3.31Å; F396-Q399 VanDerWaalsContact O-C 3.31Å; F396-P400 WeakPolarHBondContact O-CA 3.5Å; F396-R402 HydrophobicContact CD1-CB 3.7Å; F396-R402 HydrophobicContact CE1-CB 3.84Å; F396-I403 HydrophobicContact CB-CD1 4.34Å; F396-I403 HydrophobicContact CB-CG1 4.07Å; F396-I403 HydrophobicContact CD1-CG1 3.97Å; F396-I403 HydrophobicContact CG-CG1 4.45Å; F396-V406 HydrophobicContact CE1-CG2 3.97Å; F396-L421 HydrophobicContact CB-CD1 3.55Å; F396-L421 HydrophobicContact CD1-CD1 4.37Å; F396-L421 HydrophobicContact CD2-CD1 3.87Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.36Å; F396-L421 HydrophobicContact CE2-CD2 3.91Å; F396-L421 HydrophobicContact CG-CD1 3.67Å; F396-L421 HydrophobicContact CG-CD2 4.24Å
397S89.6Confident90.6Very high98 Ų9856.7 Ų56.769%0.68531%0.308SS*.Hα-helixtrans-67.7-38174.1-54.40000112.9A393 K394A393-S397 PolarHBondContact O-N 2.89Å; A393-S397 PolarHBondContact O-OG 2.86Å; K394-S397 PolarHBondContact O-N 3Å
398K91.2Very high90.8Very high158 Ų15865 Ų6569%0.68734%0.338SS*.Hα-helixtrans-70.9-35177.2-74-178177-1730112.6K394 V395K394-K398 WeakPolarHBondContact O-CG 3.05Å; K394-K398 PolarHBondContact O-N 3.38Å; V395-K398 PolarHBondContact O-N 2.9Å
399Q92.3Very high91Very high99 Ų9964.2 Ų64.246%0.46335%0.348SS..  trans-130.480.3-176.4-70.4-174.6-24.100110.4V395 F396 G401 R402V395-Q399 PolarHBondContact O-N 3.32Å; V395-Q399 VanDerWaalsContact O-N 3.14Å; F396-Q399 CarbonylContact O-C 3.31Å; F396-Q399 VanDerWaalsContact O-C 3.31Å; Q399-G401 PolarHBondContact O-N 2.93Å; Q399-G401 VanDerWaalsContact O-N 3.09Å; Q399-R402 HydrophobicContact CB-CG 4.13Å; Q399-R402 WeakPolarHBondContact O-CB 3.32Å; Q399-R402 WeakPolarHBondContact O-CG 3.28Å; Q399-R402 PolarHBondContact O-N 3.14Å
400P91.8Very high91.3Very high85 Ų8564 Ų6455%0.55235%0.346SS*.THydrogen-bonded Turntrans-63.7-18.8-175.923.4-32.4000113.5F396 R402 I403F396-P400 WeakPolarHBondContact O-CA 3.5Å; P400-R402 PolarHBondContact O-N 3.4Å; P400-I403 WeakPolarHBondContact O-CB 3.46Å; P400-I403 PolarHBondContact O-N 3.4Å
401G93.3Very high92Very high52 Ų5262.5 Ų62.554%0.53635%0.352SS..Hα-helixtrans-57.8-25170.900000113.8Q399 I403 Q404 R405Q399-G401 PolarHBondContact O-N 2.93Å; Q399-G401 VanDerWaalsContact O-N 3.09Å; G401-I403 VanDerWaalsContact C-N 3.35Å; G401-Q404 PolarHBondContact O-N 3.4Å; G401-R405 PolarHBondContact O-N 2.93Å; G401-R405 VanDerWaalsContact O-N 3.15Å
402R94.1Very high92.6Very high40 Ų4060.2 Ų60.215%0.15134%0.34CS..Hα-helixtrans-66.2-36.3174.7-64.2176.5-179.4-93.82.7112.1E386 F396 Q399 P400 Q404 R405 V406E386-R402 VanDerWaalsContact OE1-CD 3.31Å; E386-R402 WeakPolarHBondContact OE1-CD 3.43Å; E386-R402 IonicContact OE1-CZ 3.68Å; E386-R402 IonicContact OE1-NE 3.88Å; E386-R402 IonicContact OE1-NH1 2.72Å; E386-R402 PolarHBondContact OE1-NH1 3.47Å; F396-R402 HydrophobicContact CD1-CB 3.7Å; F396-R402 HydrophobicContact CE1-CB 3.84Å; Q399-R402 HydrophobicContact CB-CG 4.13Å; Q399-R402 WeakPolarHBondContact O-CB 3.32Å; Q399-R402 WeakPolarHBondContact O-CG 3.28Å; Q399-R402 PolarHBondContact O-N 3.14Å; P400-R402 PolarHBondContact O-N 3.4Å; R402-Q404 VanDerWaalsContact C-N 3.31Å; R402-Q404 PolarHBondContact O-N 2.82Å; R402-R405 WeakPolarHBondContact O-CB 3.49Å; R402-R405 PolarHBondContact O-N 3.26Å; R402-V406 WeakPolarHBondContact O-CG2 3.31Å; R402-V406 PolarHBondContact O-N 2.89Å
403I94.4Very high93.2Very high17 Ų1762.7 Ų62.79%0.08736%0.358CS..Hα-helixtrans-61.4-43.1176.5-59.3176.7000110F396 P400 G401 R405 V406 A407 T414 V417 Q418F396-I403 HydrophobicContact CB-CD1 4.34Å; F396-I403 HydrophobicContact CB-CG1 4.07Å; F396-I403 HydrophobicContact CD1-CG1 3.97Å; F396-I403 HydrophobicContact CG-CG1 4.45Å; P400-I403 WeakPolarHBondContact O-CB 3.46Å; P400-I403 PolarHBondContact O-N 3.4Å; G401-I403 VanDerWaalsContact C-N 3.35Å; I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 3.36Å; I403-V406 PolarHBondContact O-N 3.27Å; I403-A407 VanDerWaalsContact O-CB 3.25Å; I403-A407 WeakPolarHBondContact O-CB 3.28Å; I403-A407 PolarHBondContact O-N 2.99Å; I403-T414 HydrophobicContact CG2-CG2 4.44Å; I403-V417 HydrophobicContact CG2-CB 3.99Å; I403-V417 HydrophobicContact CG2-CG1 4.01Å; I403-Q418 HydrophobicContact CD1-CG 4.28Å; I403-Q418 HydrophobicContact CG2-CG 4.5Å
404Q93.8Very high93.5Very high101 Ų10164.6 Ų64.647%0.47237%0.369SS..Hα-helixtrans-66.3-34.5177.3-62.8-66.5-14.600112.6G401 R402 R408 T414G401-Q404 PolarHBondContact O-N 3.4Å; R402-Q404 VanDerWaalsContact C-N 3.31Å; R402-Q404 PolarHBondContact O-N 2.82Å; Q404-R408 WeakPolarHBondContact O-CB 3.44Å; Q404-R408 VanDerWaalsContact O-CG 3.28Å; Q404-R408 WeakPolarHBondContact O-CG 3.42Å; Q404-R408 PolarHBondContact O-N 3.18Å; Q404-R408 PolarHBondContact O-NE 3.05Å; Q404-T414 VanDerWaalsContact CD-CG2 3.5Å; Q404-T414 VanDerWaalsContact OE1-CG2 3.23Å
405R96.7Very high93.7Very high86 Ų8666.9 Ų66.933%0.32537%0.374SS..Hα-helixtrans-67.6-50.4174.9-169.4-159.774.8-137-6.5110.9S381 E386 G401 R402 I403 A407 R408 G409S381-R405 PolarHBondContact O-NH2 3.42Å; E386-R405 VanDerWaalsContact CD-NH2 3.31Å; E386-R405 IonicContact OE1-CZ 3.38Å; E386-R405 IonicContact OE1-NH1 2.78Å; E386-R405 PolarHBondContact OE1-NH1 3.49Å; E386-R405 IonicContact OE1-NH2 3.13Å; E386-R405 PolarHBondContact OE1-NH2 3.31Å; E386-R405 VanDerWaalsContact OE1-NH2 3.13Å; E386-R405 IonicContact OE2-CZ 3.67Å; E386-R405 IonicContact OE2-NH1 3.8Å; E386-R405 IonicContact OE2-NH2 2.67Å; E386-R405 PolarHBondContact OE2-NH2 3.43Å; G401-R405 PolarHBondContact O-N 2.93Å; G401-R405 VanDerWaalsContact O-N 3.15Å; R402-R405 WeakPolarHBondContact O-CB 3.49Å; R402-R405 PolarHBondContact O-N 3.26Å; I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 3.36Å; R405-A407 PolarHBondContact O-N 3.26Å; R405-R408 PolarHBondContact O-N 2.91Å; R405-G409 PolarHBondContact O-N 3.4Å
406V96.2Very high93.8Very high0 Ų067.3 Ų67.30%038%0.376CS..Hα-helixtrans-60.6-45.6180169.90000111.1I378 M382 F396 R402 I403 R408 G409 S410 V417I378-V406 HydrophobicContact CG2-CG1 3.54Å; I378-V406 WeakPolarHBondContact O-CG1 3.43Å; M382-V406 HydrophobicContact CE-CG1 4.44Å; M382-V406 HydrophobicContact CG-CG2 3.96Å; F396-V406 HydrophobicContact CE1-CG2 3.97Å; R402-V406 WeakPolarHBondContact O-CG2 3.31Å; R402-V406 PolarHBondContact O-N 2.89Å; I403-V406 PolarHBondContact O-N 3.27Å; V406-R408 PolarHBondContact O-N 2.72Å; V406-G409 PolarHBondContact O-N 3.41Å; V406-S410 PolarHBondContact O-N 3.21Å; V406-S410 PolarHBondContact O-OG 2.9Å; V406-V417 HydrophobicContact CB-CG1 4.36Å; V406-V417 HydrophobicContact CB-CG2 4.49Å; V406-V417 HydrophobicContact CG1-CG1 3.94Å; V406-V417 HydrophobicContact CG1-CG2 3.9Å
407A95.9Very high94Very high6 Ų667.3 Ų67.35%0.0538%0.375CS..Hα-helixtrans-58.3-45.8177.400000112.1I403 R405 G411 V412 T414 V417I403-A407 VanDerWaalsContact O-CB 3.25Å; I403-A407 WeakPolarHBondContact O-CB 3.28Å; I403-A407 PolarHBondContact O-N 2.99Å; R405-A407 PolarHBondContact O-N 3.26Å; A407-G411 PolarHBondContact O-N 3.45Å; A407-V412 WeakPolarHBondContact CB-O 3.45Å; A407-V412 PolarHBondContact O-N 2.86Å; A407-T414 HydrophobicContact CB-CG2 3.97Å; A407-V417 HydrophobicContact CB-CG2 4.02Å
408R94.3Very high94.1Very high190 Ų19067.4 Ų67.472%0.71737%0.365SS*.Hα-helixtrans-65-42.1176.2-73.9-178.4-67.3164.3-0.4112.9Q404 R405 V406Q404-R408 WeakPolarHBondContact O-CB 3.44Å; Q404-R408 VanDerWaalsContact O-CG 3.28Å; Q404-R408 WeakPolarHBondContact O-CG 3.42Å; Q404-R408 PolarHBondContact O-N 3.18Å; Q404-R408 PolarHBondContact O-NE 3.05Å; R405-R408 PolarHBondContact O-N 2.91Å; V406-R408 PolarHBondContact O-N 2.72Å
409G94.3Very high94.1Very high60 Ų6063.5 Ų63.562%0.61935%0.349SS*.Hα-helixtrans-68-32.9-178.600000113.8S381 R405 V406S381-G409 VanDerWaalsContact OG-C 3.3Å; R405-G409 PolarHBondContact O-N 3.4Å; V406-G409 PolarHBondContact O-N 3.41Å
410S94Very high94Very high25 Ų2558.8 Ų58.818%0.17533%0.327CS..Hα-helixtrans-98.6-3.3-179.953.50000113.9T377 S381 V406 V412T377-S410 WeakPolarHBondContact O-CB 3.43Å; S381-S410 PolarHBondContact OG-N 2.96Å; V406-S410 PolarHBondContact O-N 3.21Å; V406-S410 PolarHBondContact O-OG 2.9Å; S410-V412 PolarHBondContact O-N 3.04Å; S410-V412 VanDerWaalsContact OG-CG2 3.31Å; S410-V412 WeakPolarHBondContact OG-CG2 3.49Å
411G94.6Very high94Very high72 Ų7255.4 Ų55.474%0.74230%0.304SS*.THydrogen-bonded Turntrans67.920.3-178.700000114.3A407A407-G411 PolarHBondContact O-N 3.45Å
412V95.8Very high93.8Very high24 Ų2456.4 Ų56.415%0.14530%0.3CS..  trans-104.1168.4-179-53.10000111.8K374 I378 A407 S410 D416 V417K374-V412 HydrophobicContact CG-CG1 4.46Å; I378-V412 HydrophobicContact CD1-CB 4.47Å; I378-V412 HydrophobicContact CD1-CG1 4.14Å; I378-V412 HydrophobicContact CD1-CG2 3.97Å; I378-V412 HydrophobicContact CG1-CG1 3.97Å; I378-V412 HydrophobicContact CG1-CG2 3.91Å; A407-V412 WeakPolarHBondContact CB-O 3.45Å; A407-V412 PolarHBondContact O-N 2.86Å; S410-V412 PolarHBondContact O-N 3.04Å; S410-V412 VanDerWaalsContact OG-CG2 3.31Å; S410-V412 WeakPolarHBondContact OG-CG2 3.49Å; V412-D416 HydrophobicContact CB-CB 4.05Å; V412-D416 HydrophobicContact CG2-CB 4.09Å; V412-V417 HydrophobicContact CG2-CG2 3.75Å
413S95.5Very high93.4Very high53 Ų5358.7 Ų58.737%0.37131%0.313SS..  trans-74.1154.7173.784.60000111.6R415 D416 V417S413-R415 PolarHBondContact O-N 3.45Å; S413-R415 WeakPolarHBondContact OG-CB 3.47Å; S413-R415 PolarHBondContact OG-N 2.7Å; S413-D416 WeakPolarHBondContact O-CB 3.49Å; S413-D416 PolarHBondContact O-N 3.01Å; S413-D416 PolarHBondContact OG-N 2.99Å; S413-D416 VanDerWaalsContact OG-N 3.11Å; S413-D416 PolarHBondContact OG-OD1 3.15Å; S413-V417 PolarHBondContact O-N 2.9Å
414T94.6Very high93.1Very high51 Ų5158 Ų5831%0.31331%0.309SS..Hα-helixtrans-60.5-28.8173.351.70000112.4I403 Q404 A407 V417 Q418I403-T414 HydrophobicContact CG2-CG2 4.44Å; Q404-T414 VanDerWaalsContact CD-CG2 3.5Å; Q404-T414 VanDerWaalsContact OE1-CG2 3.23Å; A407-T414 HydrophobicContact CB-CG2 3.97Å; T414-V417 PolarHBondContact O-N 3.32Å; T414-Q418 WeakPolarHBondContact O-CG 3.49Å; T414-Q418 PolarHBondContact O-N 3.03Å; T414-Q418 VanDerWaalsContact O-N 3.14Å
415R94.1Very high92.8Very high162 Ų16255.8 Ų55.861%0.61130%0.302SS*.Hα-helixtrans-64.3-42.9173.6-178.8-179.2178.91073.5111.4S413 V417 Q418 E419S413-R415 PolarHBondContact O-N 3.45Å; S413-R415 WeakPolarHBondContact OG-CB 3.47Å; S413-R415 PolarHBondContact OG-N 2.7Å; R415-V417 VanDerWaalsContact C-N 3.27Å; R415-V417 PolarHBondContact O-N 3.26Å; R415-Q418 WeakPolarHBondContact O-CB 3.45Å; R415-Q418 PolarHBondContact O-N 3.41Å; R415-Q418 VanDerWaalsContact O-N 3.12Å; R415-E419 HydrophobicContact CG-CG 4.38Å; R415-E419 IonicContact CZ-OE1 2.71Å; R415-E419 IonicContact NE-OE1 2.76Å; R415-E419 PolarHBondContact NE-OE1 3.04Å; R415-E419 IonicContact NH2-OE1 3.8Å; R415-E419 PolarHBondContact NH2-OE1 3.33Å; R415-E419 WeakPolarHBondContact O-CG 3.39Å; R415-E419 PolarHBondContact O-N 3.35Å
416D93Very high92.2Very high34 Ų3458 Ų5818%0.18231%0.314CS..Hα-helixtrans-61.9-38.5-179.8-61.60.1000111.1K374 I378 V412 S413 E419 L420K374-D416 WeakPolarHBondContact CE-OD2 3.33Å; K374-D416 IonicContact NZ-OD2 3.49Å; K374-D416 PolarHBondContact NZ-OD2 2.88Å; I378-D416 HydrophobicContact CD1-CB 4.4Å; V412-D416 HydrophobicContact CB-CB 4.05Å; V412-D416 HydrophobicContact CG2-CB 4.09Å; S413-D416 WeakPolarHBondContact O-CB 3.49Å; S413-D416 PolarHBondContact O-N 3.01Å; S413-D416 PolarHBondContact OG-N 2.99Å; S413-D416 VanDerWaalsContact OG-N 3.11Å; S413-D416 PolarHBondContact OG-OD1 3.15Å; D416-E419 PolarHBondContact O-N 2.88Å; D416-L420 PolarHBondContact O-N 2.67Å
417V93.9Very high91.4Very high0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-65.9-42.7175.2-175.50000110.9I378 I403 V406 A407 V412 S413 T414 R415 L420 L421I378-V417 HydrophobicContact CG2-CG1 4.41Å; I378-V417 HydrophobicContact CG2-CG2 4.09Å; I403-V417 HydrophobicContact CG2-CB 3.99Å; I403-V417 HydrophobicContact CG2-CG1 4.01Å; V406-V417 HydrophobicContact CB-CG1 4.36Å; V406-V417 HydrophobicContact CB-CG2 4.49Å; V406-V417 HydrophobicContact CG1-CG1 3.94Å; V406-V417 HydrophobicContact CG1-CG2 3.9Å; A407-V417 HydrophobicContact CB-CG2 4.02Å; V412-V417 HydrophobicContact CG2-CG2 3.75Å; S413-V417 PolarHBondContact O-N 2.9Å; T414-V417 PolarHBondContact O-N 3.32Å; R415-V417 VanDerWaalsContact C-N 3.27Å; R415-V417 PolarHBondContact O-N 3.26Å; V417-L420 PolarHBondContact O-N 2.84Å; V417-L421 WeakPolarHBondContact O-CG 3.34Å; V417-L421 PolarHBondContact O-N 2.89Å
418Q92.3Very high90.7Very high101 Ų10162.3 Ų62.347%0.47234%0.336SS..Hα-helixtrans-64.1-41.3175.4-70.8173.6-10.400111.6I403 T414 R415 L420 L421 T422I403-Q418 HydrophobicContact CD1-CG 4.28Å; I403-Q418 HydrophobicContact CG2-CG 4.5Å; T414-Q418 WeakPolarHBondContact O-CG 3.49Å; T414-Q418 PolarHBondContact O-N 3.03Å; T414-Q418 VanDerWaalsContact O-N 3.14Å; R415-Q418 WeakPolarHBondContact O-CB 3.45Å; R415-Q418 PolarHBondContact O-N 3.41Å; R415-Q418 VanDerWaalsContact O-N 3.12Å; Q418-L420 PolarHBondContact O-N 3.5Å; Q418-L421 PolarHBondContact O-N 3.45Å; Q418-T422 WeakPolarHBondContact O-CG2 3.41Å; Q418-T422 PolarHBondContact O-N 3.37Å
419E91Very high90Very high75 Ų7558.6 Ų58.635%0.3533%0.327SS..Hα-helixtrans-59.6-45.3175.1-75.3-179.1-171.200110.9R415 D416 L421 T422 Q423R415-E419 HydrophobicContact CG-CG 4.38Å; R415-E419 IonicContact CZ-OE1 2.71Å; R415-E419 IonicContact NE-OE1 2.76Å; R415-E419 PolarHBondContact NE-OE1 3.04Å; R415-E419 IonicContact NH2-OE1 3.8Å; R415-E419 PolarHBondContact NH2-OE1 3.33Å; R415-E419 WeakPolarHBondContact O-CG 3.39Å; R415-E419 PolarHBondContact O-N 3.35Å; D416-E419 PolarHBondContact O-N 2.88Å; E419-L421 PolarHBondContact O-N 3.19Å; E419-T422 PolarHBondContact O-N 2.91Å; E419-T422 PolarHBondContact O-OG1 2.9Å; E419-Q423 VanDerWaalsContact O-CG 3.29Å; E419-Q423 WeakPolarHBondContact O-CG 3.47Å; E419-Q423 PolarHBondContact O-N 3.03Å
420L91.6Very high89.1Confident0 Ų061.2 Ų61.20%033%0.325CS..Hα-helixtrans-55.8-48172.9-177.1157.4000111.6L329 M332 L375 I378 M379 M382 D416 V417 Q418 T422 Q423 Y424L329-L420 HydrophobicContact CD2-CD2 4.06Å; M332-L420 HydrophobicContact CE-CD2 4.08Å; M332-L420 HydrophobicContact CE-CG 4.35Å; L375-L420 HydrophobicContact CB-CD1 4.05Å; L375-L420 HydrophobicContact CD2-CB 3.89Å; L375-L420 HydrophobicContact CD2-CD1 3.68Å; L375-L420 HydrophobicContact CD2-CG 3.92Å; L375-L420 HydrophobicContact CG-CD1 4.47Å; I378-L420 HydrophobicContact CB-CD1 3.81Å; I378-L420 HydrophobicContact CD1-CD1 4.25Å; I378-L420 HydrophobicContact CG2-CD1 3.73Å; M379-L420 HydrophobicContact CG-CD1 4.03Å; M382-L420 HydrophobicContact CE-CD2 4.13Å; D416-L420 PolarHBondContact O-N 2.67Å; V417-L420 PolarHBondContact O-N 2.84Å; Q418-L420 PolarHBondContact O-N 3.5Å; L420-T422 VanDerWaalsContact C-N 3.32Å; L420-T422 PolarHBondContact O-N 2.72Å; L420-Q423 WeakPolarHBondContact O-CB 3.45Å; L420-Q423 PolarHBondContact O-N 2.92Å; L420-Y424 WeakPolarHBondContact O-CB 3.4Å; L420-Y424 PolarHBondContact O-N 3.17Å
421L91.4Very high88.1Confident14 Ų1460.6 Ų60.67%0.07332%0.32CS..Hα-helixtrans-64.6-36.1-179.8-65.9173.3000112.5L329 M382 F396 V417 Q418 E419 T425L329-L421 HydrophobicContact CD1-CD2 4.29Å; M382-L421 HydrophobicContact CE-CD2 4.48Å; F396-L421 HydrophobicContact CB-CD1 3.55Å; F396-L421 HydrophobicContact CD1-CD1 4.37Å; F396-L421 HydrophobicContact CD2-CD1 3.87Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.36Å; F396-L421 HydrophobicContact CE2-CD2 3.91Å; F396-L421 HydrophobicContact CG-CD1 3.67Å; F396-L421 HydrophobicContact CG-CD2 4.24Å; V417-L421 WeakPolarHBondContact O-CG 3.34Å; V417-L421 PolarHBondContact O-N 2.89Å; Q418-L421 PolarHBondContact O-N 3.45Å; E419-L421 PolarHBondContact O-N 3.19Å; L421-T425 WeakPolarHBondContact O-CB 3.47Å; L421-T425 PolarHBondContact O-N 2.93Å; L421-T425 PolarHBondContact O-OG1 3.22Å
422T89.4Confident87.1Confident73 Ų7364.3 Ų64.345%0.44832%0.315SS..Hα-helixtrans-68.1-38.4173.864.70000112Q418 E419 L420 T425 K426Q418-T422 WeakPolarHBondContact O-CG2 3.41Å; Q418-T422 PolarHBondContact O-N 3.37Å; E419-T422 PolarHBondContact O-N 2.91Å; E419-T422 PolarHBondContact O-OG1 2.9Å; L420-T422 VanDerWaalsContact C-N 3.32Å; L420-T422 PolarHBondContact O-N 2.72Å; T422-T425 PolarHBondContact O-N 2.63Å; T422-K426 WeakPolarHBondContact O-CG 3.14Å; T422-K426 PolarHBondContact O-N 2.97Å
423Q85.5Confident86Confident88 Ų8870.7 Ų70.741%0.41134%0.341SS..Hα-helixtrans-64.9-46.3175-71171.56.600110.8E419 L420 T425 K426 F427E419-Q423 VanDerWaalsContact O-CG 3.29Å; E419-Q423 WeakPolarHBondContact O-CG 3.47Å; E419-Q423 PolarHBondContact O-N 3.03Å; L420-Q423 WeakPolarHBondContact O-CB 3.45Å; L420-Q423 PolarHBondContact O-N 2.92Å; Q423-T425 VanDerWaalsContact C-N 3.32Å; Q423-T425 PolarHBondContact O-N 3.33Å; Q423-K426 PolarHBondContact O-N 3.14Å; Q423-F427 WeakPolarHBondContact O-CB 3.36Å; Q423-F427 PolarHBondContact O-N 3.24Å
424Y88.1Confident84.3Confident4 Ų473.3 Ų73.32%0.01635%0.349CS..Hα-helixtrans-54.4-47.4171.9163.6-100.6000111.4F327 L329 M332 A393 L420 K426 F427 A428F327-Y424 HydrophobicContact CD1-CD2 4.38Å; F327-Y424 AromaticContact CD1-CE2 3.91Å; F327-Y424 HydrophobicContact CD1-CE2 3.91Å; F327-Y424 HydrophobicContact CE1-CD2 4.14Å; F327-Y424 HydrophobicContact CE1-CE2 4.07Å; F327-Y424 PolarHBondContact O-OH 3.49Å; L329-Y424 HydrophobicContact CD2-CD1 4.25Å; L329-Y424 HydrophobicContact CD2-CD2 3.51Å; L329-Y424 HydrophobicContact CD2-CE2 4.05Å; L329-Y424 HydrophobicContact CD2-CG 3.6Å; L329-Y424 HydrophobicContact CG-CD1 4.45Å; L329-Y424 HydrophobicContact CG-CD2 3.9Å; L329-Y424 HydrophobicContact CG-CE1 4.47Å; L329-Y424 HydrophobicContact CG-CE2 3.91Å; L329-Y424 HydrophobicContact CG-CG 4.17Å; M332-Y424 HydrophobicContact CB-CD2 4.49Å; M332-Y424 HydrophobicContact SD-CD2 3.93Å; M332-Y424 HydrophobicContact SD-CG 4.39Å; A393-Y424 HydrophobicContact CB-CD1 4.06Å; A393-Y424 HydrophobicContact CB-CE1 4.14Å; L420-Y424 WeakPolarHBondContact O-CB 3.4Å; L420-Y424 PolarHBondContact O-N 3.17Å; Y424-K426 PolarHBondContact O-N 3.39Å; Y424-F427 WeakPolarHBondContact O-CB 3.32Å; Y424-F427 PolarHBondContact O-N 3.28Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; Y424-A428 WeakPolarHBondContact O-CB 3.49Å; Y424-A428 PolarHBondContact O-N 2.76Å
425T86.5Confident82.5Confident53 Ų5372 Ų7233%0.32535%0.345SS..Hα-helixtrans-61.9-42.8-179.2-55.40000111.6L421 T422 Q423 F427 Q429L421-T425 WeakPolarHBondContact O-CB 3.47Å; L421-T425 PolarHBondContact O-N 2.93Å; L421-T425 PolarHBondContact O-OG1 3.22Å; T422-T425 PolarHBondContact O-N 2.63Å; Q423-T425 VanDerWaalsContact C-N 3.32Å; Q423-T425 PolarHBondContact O-N 3.33Å; T425-F427 VanDerWaalsContact C-N 3.33Å; T425-Q429 WeakPolarHBondContact O-CB 3.47Å; T425-Q429 VanDerWaalsContact O-CG 3.25Å; T425-Q429 WeakPolarHBondContact O-CG 3.28Å; T425-Q429 PolarHBondContact O-N 3.11Å
426K84.4Confident80.2Confident132 Ų13267.1 Ų67.157%0.57435%0.346SS*.Hα-helixtrans-62.5-41.6174.5-70.5171.5-177.9176.80111.3T422 Q423 Y424 Q429 M430T422-K426 WeakPolarHBondContact O-CG 3.14Å; T422-K426 PolarHBondContact O-N 2.97Å; Q423-K426 PolarHBondContact O-N 3.14Å; Y424-K426 PolarHBondContact O-N 3.39Å; K426-Q429 PolarHBondContact O-N 3.34Å; K426-M430 WeakPolarHBondContact O-CG 3.15Å; K426-M430 PolarHBondContact O-N 3.48Å; K426-M430 VanDerWaalsContact O-N 3.08Å
427F79.9Confident78Confident74 Ų7469.5 Ų69.533%0.32536%0.357SS..Hα-helixtrans-66.3-47.9179.1-157.8-83.6000111.7F327 Q423 Y424 T425 Q429 M430 V431F327-F427 HydrophobicContact CD1-CD1 4.26Å; F327-F427 HydrophobicContact CE1-CB 4.5Å; F327-F427 AromaticContact CE1-CD1 3.42Å; F327-F427 HydrophobicContact CE1-CD1 3.42Å; F327-F427 VanDerWaalsContact CE1-CD1 3.42Å; F327-F427 HydrophobicContact CE1-CE1 4.06Å; F327-F427 HydrophobicContact CE1-CG 4.35Å; F327-F427 HydrophobicContact CE2-CD1 4.03Å; F327-F427 AromaticContact CE2-CE1 3.84Å; F327-F427 HydrophobicContact CE2-CE1 3.84Å; F327-F427 AromaticContact CZ-CD1 3.27Å; F327-F427 HydrophobicContact CZ-CD1 3.27Å; F327-F427 AromaticContact CZ-CE1 3.41Å; F327-F427 HydrophobicContact CZ-CE1 3.41Å; F327-F427 VanDerWaalsContact CZ-CE1 3.41Å; F327-F427 HydrophobicContact CZ-CG 4.43Å; Q423-F427 WeakPolarHBondContact O-CB 3.36Å; Q423-F427 PolarHBondContact O-N 3.24Å; Y424-F427 WeakPolarHBondContact O-CB 3.32Å; Y424-F427 PolarHBondContact O-N 3.28Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; T425-F427 VanDerWaalsContact C-N 3.33Å; F427-Q429 VanDerWaalsContact C-N 3.26Å; F427-Q429 PolarHBondContact O-N 3.1Å; F427-M430 HydrophobicContact CD2-CE 4.04Å; F427-M430 HydrophobicContact CG-CE 4.48Å; F427-M430 WeakPolarHBondContact O-CB 3.44Å; F427-M430 PolarHBondContact O-N 2.69Å; F427-V431 HydrophobicContact CD1-CG2 3.77Å; F427-V431 HydrophobicContact CE1-CG2 3.69Å; F427-V431 WeakPolarHBondContact O-CG2 3.43Å; F427-V431 PolarHBondContact O-N 3.2Å
428A80.4Confident75.5Confident23 Ų2377.9 Ų77.919%0.1939%0.394CS..Hα-helixtrans-57.7-37.8174.600000112F327 Y424 V431 K432F327-A428 HydrophobicContact CD1-CB 3.95Å; Y424-A428 WeakPolarHBondContact O-CB 3.49Å; Y424-A428 PolarHBondContact O-N 2.76Å; A428-V431 PolarHBondContact O-N 3.05Å; A428-K432 VanDerWaalsContact O-CB 3.23Å; A428-K432 WeakPolarHBondContact O-CB 3.44Å; A428-K432 PolarHBondContact O-N 3.35Å
429Q80.7Confident73.2Confident112 Ų11276.3 Ų76.352%0.52341%0.405SS..Hα-helixtrans-65.5-41.2173.9-75.5174.54.400112.8T425 K426 F427 K433T425-Q429 WeakPolarHBondContact O-CB 3.47Å; T425-Q429 VanDerWaalsContact O-CG 3.25Å; T425-Q429 WeakPolarHBondContact O-CG 3.28Å; T425-Q429 PolarHBondContact O-N 3.11Å; K426-Q429 PolarHBondContact O-N 3.34Å; F427-Q429 VanDerWaalsContact C-N 3.26Å; F427-Q429 PolarHBondContact O-N 3.1Å; Q429-K433 WeakPolarHBondContact O-CB 3.49Å; Q429-K433 WeakPolarHBondContact O-CG 3.45Å; Q429-K433 PolarHBondContact O-N 2.71Å
430M74.8Confident70.6Confident116 Ų11679.7 Ų79.757%0.57142%0.424SS*.Hα-helixtrans-64.1-46174.8-71.3-172.4-68.100111.1K426 F427 K432 K433 M434K426-M430 WeakPolarHBondContact O-CG 3.15Å; K426-M430 PolarHBondContact O-N 3.48Å; K426-M430 VanDerWaalsContact O-N 3.08Å; F427-M430 HydrophobicContact CD2-CE 4.04Å; F427-M430 HydrophobicContact CG-CE 4.48Å; F427-M430 WeakPolarHBondContact O-CB 3.44Å; F427-M430 PolarHBondContact O-N 2.69Å; M430-K432 PolarHBondContact O-N 2.97Å; M430-K433 WeakPolarHBondContact O-CB 3.26Å; M430-K433 PolarHBondContact O-N 3.14Å; M430-M434 WeakPolarHBondContact O-CB 3.43Å; M430-M434 PolarHBondContact O-N 3.39Å
431V73Confident68Low12 Ų1287.7 Ų87.77%0.07346%0.46CS..Hα-helixtrans-60.9-44.5176.8170.80000111.3L322 F327 F427 A428 K433 M434 G435L322-V431 HydrophobicContact CD2-CG1 3.32Å; L322-V431 HydrophobicContact CD2-CG2 4.45Å; F327-V431 HydrophobicContact CB-CB 4.31Å; F327-V431 HydrophobicContact CB-CG1 3.88Å; F327-V431 HydrophobicContact CD2-CB 4.35Å; F327-V431 HydrophobicContact CD2-CG1 4.02Å; F327-V431 HydrophobicContact CD2-CG2 3.95Å; F327-V431 HydrophobicContact CE2-CG2 4.18Å; F327-V431 HydrophobicContact CG-CB 4.26Å; F327-V431 HydrophobicContact CG-CG1 4.12Å; F327-V431 HydrophobicContact CG-CG2 4.17Å; F427-V431 HydrophobicContact CD1-CG2 3.77Å; F427-V431 HydrophobicContact CE1-CG2 3.69Å; F427-V431 WeakPolarHBondContact O-CG2 3.43Å; F427-V431 PolarHBondContact O-N 3.2Å; A428-V431 PolarHBondContact O-N 3.05Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 3.48Å; V431-M434 PolarHBondContact O-N 3.48Å; V431-M434 VanDerWaalsContact O-N 3.13Å; V431-G435 PolarHBondContact O-N 3.4Å
432K74.3Confident65.4Low149 Ų14996 Ų9665%0.64850%0.495SS*.Hα-helixtrans-63.3-38176.3-172.1175.6-176.3175.80112.3A428 M430 M434 G436A428-K432 VanDerWaalsContact O-CB 3.23Å; A428-K432 WeakPolarHBondContact O-CB 3.44Å; A428-K432 PolarHBondContact O-N 3.35Å; M430-K432 PolarHBondContact O-N 2.97Å; K432-M434 VanDerWaalsContact C-N 3.35Å; K432-G436 PolarHBondContact O-N 3.07Å
433K71.7Confident63Low158 Ų15896.4 Ų96.469%0.68751%0.514SS*.Hα-helixtrans-64.7-40.1172.6-78.3179.3179.2-177.90111.3Q429 M430 V431 G436 I437Q429-K433 WeakPolarHBondContact O-CB 3.49Å; Q429-K433 WeakPolarHBondContact O-CG 3.45Å; Q429-K433 PolarHBondContact O-N 2.71Å; M430-K433 WeakPolarHBondContact O-CB 3.26Å; M430-K433 PolarHBondContact O-N 3.14Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 3.48Å; K433-G436 PolarHBondContact O-N 3.11Å; K433-I437 WeakPolarHBondContact O-CG1 3.43Å
434M59.6Low60.7Low109 Ų10995.9 Ų95.954%0.53753%0.532SS..Hα-helixtrans-70.4-45179-160.5169.981.700112.4M430 V431 K432 G436 I437M430-M434 WeakPolarHBondContact O-CB 3.43Å; M430-M434 PolarHBondContact O-N 3.39Å; V431-M434 PolarHBondContact O-N 3.48Å; V431-M434 VanDerWaalsContact O-N 3.13Å; K432-M434 VanDerWaalsContact C-N 3.35Å; M434-G436 VanDerWaalsContact C-N 3.29Å; M434-G436 PolarHBondContact O-N 3.35Å; M434-I437 WeakPolarHBondContact O-CB 3.31Å; M434-I437 PolarHBondContact O-N 2.81Å; M434-I437 VanDerWaalsContact O-N 3.15Å
435G57.2Low58.1Low22 Ų22100.7 Ų100.723%0.22756%0.558CS.*Hα-helixtrans-70-21.9174.600000114V431 I437V431-G435 PolarHBondContact O-N 3.4Å; G435-I437 VanDerWaalsContact C-N 3.27Å; G435-I437 PolarHBondContact O-N 3.12Å
436G45.8Very low55.7Low61 Ų61107.6 Ų107.663%0.62959%0.589SS**THydrogen-bonded Turntrans-71.4-17.6170.100000113.9K432 K433 M434 K438K432-G436 PolarHBondContact O-N 3.07Å; K433-G436 PolarHBondContact O-N 3.11Å; M434-G436 VanDerWaalsContact C-N 3.29Å; M434-G436 PolarHBondContact O-N 3.35Å; G436-K438 PolarHBondContact O-N 3.14Å
437I46.7Very low53.5Low83 Ų83105.9 Ų105.943%0.42659%0.594SS.*  trans-81.959.3172.8-53.7163.2000108.5K433 M434 G435 G439 L440K433-I437 WeakPolarHBondContact O-CG1 3.43Å; M434-I437 WeakPolarHBondContact O-CB 3.31Å; M434-I437 PolarHBondContact O-N 2.81Å; M434-I437 VanDerWaalsContact O-N 3.15Å; G435-I437 VanDerWaalsContact C-N 3.27Å; G435-I437 PolarHBondContact O-N 3.12Å; I437-G439 PolarHBondContact O-N 2.83Å; I437-L440 HydrophobicContact CG2-CB 3.8Å; I437-L440 HydrophobicContact CG2-CD1 4.46Å
438K42.1Very low51.7Low177 Ų177109.9 Ų109.977%0.7761%0.611SS**THydrogen-bonded Turntrans-61.7-0.9175.2-107.3-179.3177179.80114.2G436G436-K438 PolarHBondContact O-N 3.14Å
439G43.2Very low50Low68 Ų68116.6 Ų116.670%0.70164%0.644SS**THydrogen-bonded Turntrans-108.3-13-174.300000117I437I437-G439 PolarHBondContact O-N 2.83Å
440L37.5Very low48.4Very low145 Ų145115.8 Ų115.876%0.75965%0.646SS**THydrogen-bonded Turntrans-111.3-19.2-174.1-109.785.7000115.7I437I437-L440 HydrophobicContact CG2-CB 3.8Å; I437-L440 HydrophobicContact CG2-CD1 4.46Å
441F35.5Very low47.4Very low169 Ų169114.7 Ų114.774%0.74164%0.643SS**  trans-10615-174.7-77.6-79.1000114.8G443F441-G443 PolarHBondContact O-N 3.37Å
442K36.4Very low46.5Very low187 Ų187119 Ų11981%0.81367%0.671SS**  trans-77.680.4161.5-113.9-171.8177-171.80108.4G444K442-G444 PolarHBondContact O-N 3.21Å
443G40.5Very low45.8Very low82 Ų82115.5 Ų115.585%0.84567%0.665SS**THydrogen-bonded Turntrans-57.411515900000108.1F441F441-G443 PolarHBondContact O-N 3.37Å
444G36.8Very low44.9Very low77 Ų77114.3 Ų114.379%0.79466%0.662SS**THydrogen-bonded Turntrans142.6-19.4169.400000117.1K442K442-G444 PolarHBondContact O-N 3.21Å
445D33.9Very low44.5Very low106 Ų106112.1 Ų112.157%0.56765%0.652SS**  trans-151.672-176.8-137.7-13.4000113.5S447D445-S447 PolarHBondContact O-N 2.71Å; D445-S447 PolarHBondContact OD1-OG 3.49Å
446M34.8Very low44.8Very low198 Ų198113.7 Ų113.798%0.97566%0.663SS**SBendtrans-86.120.4174.2-140.1-163.5-65.100112.5
447S39.4Very low45.6Very low96 Ų96117.9 Ų117.967%0.67166%0.664SS**SBendtrans-118.5-13.2-175.783.80000115.6D445D445-S447 PolarHBondContact O-N 2.71Å; D445-S447 PolarHBondContact OD1-OG 3.49Å
448K42.6Very low45.9Very low157 Ų157118.8 Ų118.868%0.68367%0.669SS**SBendtrans-132.5119.4-176.5-70.9179.2-177.8173.80111.2
449N43.9Very low46.6Very low165 Ų165112 Ų11288%0.88264%0.642SS**  trans85.254.1173.7-59.3-13.2000117.7N451N449-N451 PolarHBondContact O-N 3.27Å
450V47.7Very low47.6Very low95 Ų95115.2 Ų115.258%0.57664%0.638SS**  trans-80.9113.8153.1-165.40000108.6L455V450-L455 HydrophobicContact CB-CD1 4.1Å; V450-L455 HydrophobicContact CG1-CB 4.25Å; V450-L455 HydrophobicContact CG1-CD1 3.47Å; V450-L455 VanDerWaalsContact CG1-CD1 3.47Å; V450-L455 HydrophobicContact CG1-CG 3.88Å
451N53.7Low48.8Very low93 Ų93114.1 Ų114.150%0.49763%0.629SS.*  trans-68.8125.2179.2-144.3-11.3000109.3N449 S453 Q454 L455N449-N451 PolarHBondContact O-N 3.27Å; N451-S453 PolarHBondContact O-N 2.82Å; N451-Q454 PolarHBondContact O-N 2.72Å; N451-L455 PolarHBondContact O-N 3.09Å
452P52.6Low49.6Very low102 Ų102110.9 Ų110.966%0.66262%0.618SS**Hα-helixtrans-56.6-29.2-172.1-26.833.8000114.3A456P452-A456 PolarHBondContact O-N 3.44Å
453S60.2Low50.6Low76 Ų76103.2 Ų103.253%0.53159%0.589SS.*Hα-helixtrans-73.7-28.9178.957.50000113.9N451 K457N451-S453 PolarHBondContact O-N 2.82Å; S453-K457 PolarHBondContact O-N 3.09Å
454Q54Low51.8Low132 Ų132108.1 Ų108.162%0.61759%0.587SS**Hα-helixtrans-78.3-35.6175.8-79.5179.1-14.600111.6N451 A456 K457 L458N451-Q454 PolarHBondContact O-N 2.72Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; Q454-K457 PolarHBondContact O-N 3.11Å; Q454-L458 WeakPolarHBondContact O-CB 3.25Å; Q454-L458 PolarHBondContact O-N 3.28Å
455L50.6Low52.8Low63 Ų63112.4 Ų112.433%0.3359%0.588SS.*Hα-helixtrans-64.9-38.4175.3-130.9162.2000111.2V450 N451 L458 N459V450-L455 HydrophobicContact CB-CD1 4.1Å; V450-L455 HydrophobicContact CG1-CB 4.25Å; V450-L455 HydrophobicContact CG1-CD1 3.47Å; V450-L455 VanDerWaalsContact CG1-CD1 3.47Å; V450-L455 HydrophobicContact CG1-CG 3.88Å; N451-L455 PolarHBondContact O-N 3.09Å; L455-L458 PolarHBondContact O-N 2.97Å; L455-N459 WeakPolarHBondContact O-CB 3.36Å; L455-N459 PolarHBondContact O-N 3.33Å
456A62.3Low53.7Low56 Ų56110.4 Ų110.446%0.46358%0.576SS.*Hα-helixtrans-65.3-41.4173.900000113P452 Q454 N459 Q460P452-A456 PolarHBondContact O-N 3.44Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; A456-N459 PolarHBondContact O-N 2.98Å; A456-Q460 PolarHBondContact O-N 2.94Å
457K62.9Low54.9Low148 Ų148105.4 Ų105.464%0.64355%0.554SS**Hα-helixtrans-67.4-38.7175.7-85-177175.9178.50112.5S453 Q454 Q460 Q461S453-K457 PolarHBondContact O-N 3.09Å; Q454-K457 PolarHBondContact O-N 3.11Å; K457-Q460 PolarHBondContact O-N 3.18Å; K457-Q461 PolarHBondContact O-N 3.08Å
458L52.6Low55.8Low102 Ų102105.6 Ų105.653%0.53455%0.553SS.*Hα-helixtrans-65.2-43176.6-167.771.8000111.2Q454 L455 Q460 Q461 M462Q454-L458 WeakPolarHBondContact O-CB 3.25Å; Q454-L458 PolarHBondContact O-N 3.28Å; L455-L458 PolarHBondContact O-N 2.97Å; L458-Q460 PolarHBondContact O-N 2.8Å; L458-Q461 PolarHBondContact O-N 3.23Å; L458-M462 WeakPolarHBondContact O-CB 3.28Å; L458-M462 PolarHBondContact O-N 3.27Å
459N57.2Low56.9Low35 Ų35108.2 Ų108.219%0.18756%0.558CS.*Hα-helixtrans-64.6-37.8175.3-79.4-6000112.6L455 A456 A463 M484L455-N459 WeakPolarHBondContact O-CB 3.36Å; L455-N459 PolarHBondContact O-N 3.33Å; A456-N459 PolarHBondContact O-N 2.98Å; N459-A463 WeakPolarHBondContact O-CB 3.44Å; N459-A463 PolarHBondContact O-N 3.06Å; N459-M484 WeakPolarHBondContact OD1-CE 3.48Å
460Q64.6Low57.8Low135 Ų135103.5 Ų103.563%0.63154%0.535SS*.Hα-helixtrans-67.4-35.4174-93.9-175.9-11.400113.2A456 K457 L458 K464A456-Q460 PolarHBondContact O-N 2.94Å; K457-Q460 PolarHBondContact O-N 3.18Å; L458-Q460 PolarHBondContact O-N 2.8Å; Q460-K464 WeakPolarHBondContact O-CG 3.49Å; Q460-K464 PolarHBondContact O-N 3.38Å
461Q63.6Low58.4Low123 Ų123100.8 Ų100.858%0.57552%0.517SS*.Hα-helixtrans-74.1-38.5175.8-80.5-177-34.400112.1K457 L458 K464 M465K457-Q461 PolarHBondContact O-N 3.08Å; L458-Q461 PolarHBondContact O-N 3.23Å; Q461-K464 PolarHBondContact O-N 3.34Å; Q461-M465 PolarHBondContact O-N 3.4Å
462M51.2Low58.9Low101 Ų101104.2 Ų104.250%0.49853%0.53SS..Hα-helixtrans-62.8-42.5173.7-103.6-170158.700112L458 K464 M465 M466L458-M462 WeakPolarHBondContact O-CB 3.28Å; L458-M462 PolarHBondContact O-N 3.27Å; M462-K464 PolarHBondContact O-N 3.3Å; M462-M465 PolarHBondContact O-N 3.42Å; M462-M465 VanDerWaalsContact O-N 3.08Å; M462-M466 PolarHBondContact O-N 3.05Å
463A58.3Low59.4Low25 Ų25107.7 Ų107.721%0.20754%0.537CS..Hα-helixtrans-62.3-26.1176.600000113.1N459 M477N459-A463 WeakPolarHBondContact O-CB 3.44Å; N459-A463 PolarHBondContact O-N 3.06Å; A463-M477 HydrophobicContact CB-SD 3.87Å
464K66.1Low59.2Low185 Ų185106.7 Ų106.780%0.80453%0.525SS*.Hα-helixtrans-83.9-19.4175.7-74.6-178.8177.8-175.60114Q460 Q461 M462Q460-K464 WeakPolarHBondContact O-CG 3.49Å; Q460-K464 PolarHBondContact O-N 3.38Å; Q461-K464 PolarHBondContact O-N 3.34Å; M462-K464 PolarHBondContact O-N 3.3Å
465M56.2Low59.9Low167 Ų167103 Ų10382%0.82352%0.522SS*.Hα-helixtrans-94.6-12.2178.5-72.6-172.5-172.200113.3Q461 M462Q461-M465 PolarHBondContact O-N 3.4Å; M462-M465 PolarHBondContact O-N 3.42Å; M462-M465 VanDerWaalsContact O-N 3.08Å
466M54.5Low60.9Low64 Ų64101.1 Ų101.132%0.31552%0.518SS..SBendtrans-89.3137.6176.1-71.7-172.676.500111.4M462 V470 L471 M474 L480M462-M466 PolarHBondContact O-N 3.05Å; M466-V470 HydrophobicContact CE-CG1 3.66Å; M466-L471 HydrophobicContact CB-CD1 4.23Å; M466-M474 HydrophobicContact CE-SD 3.88Å; M466-L480 HydrophobicContact SD-CD1 4.08Å
467D59.4Low60.6Low94 Ų94103.1 Ų103.150%0.50352%0.519SS..  trans-57130.3175.9-171.3-45.6000110.4R469 V470 L471D467-R469 PolarHBondContact O-N 3.23Å; D467-R469 PolarHBondContact OD1-N 3.16Å; D467-V470 HydrophobicContact CB-CB 4.45Å; D467-V470 HydrophobicContact CB-CG2 4.01Å; D467-V470 WeakPolarHBondContact O-CB 3.4Å; D467-V470 PolarHBondContact O-N 3.36Å; D467-L471 PolarHBondContact O-N 3.07Å; D467-L471 VanDerWaalsContact O-N 3.12Å
468P58.6Low60.5Low100 Ų10099.5 Ų99.565%0.64952%0.517SS*.Hα-helixtrans-52.9-29.5-178.9-27.234.2000114.4H472P468-H472 PolarHBondContact O-N 3Å
469R64.5Low61.2Low211 Ų21195.4 Ų95.480%0.79650%0.498SS*.Hα-helixtrans-73.1-36.4178.5-66.6-179.7178.21780.5112.2D467 H472 H473D467-R469 PolarHBondContact O-N 3.23Å; D467-R469 PolarHBondContact OD1-N 3.16Å; R469-H472 PolarHBondContact O-N 2.69Å; R469-H473 WeakPolarHBondContact O-CB 3.31Å; R469-H473 PolarHBondContact O-N 2.76Å; R469-H473 VanDerWaalsContact O-N 3.1Å
470V63.7Low61.4Low66 Ų6694.7 Ų94.740%0.450%0.495SS..Hα-helixtrans-69.4-39.5175.8179.70000110M466 D467 H472 H473 M474M466-V470 HydrophobicContact CE-CG1 3.66Å; D467-V470 HydrophobicContact CB-CB 4.45Å; D467-V470 HydrophobicContact CB-CG2 4.01Å; D467-V470 WeakPolarHBondContact O-CB 3.4Å; D467-V470 PolarHBondContact O-N 3.36Å; V470-H472 VanDerWaalsContact C-N 3.31Å; V470-H472 PolarHBondContact O-N 3.23Å; V470-H473 PolarHBondContact O-N 2.83Å; V470-M474 HydrophobicContact CG1-SD 4.06Å; V470-M474 WeakPolarHBondContact O-CB 3Å; V470-M474 WeakPolarHBondContact O-CG 3.36Å; V470-M474 PolarHBondContact O-N 3.37Å
471L59.4Low61.1Low38 Ų3894.4 Ų94.420%0.19949%0.493CS..Hα-helixtrans-62.2-38.9176.7-148.491.7000112.1M466 D467 M474 G476M466-L471 HydrophobicContact CB-CD1 4.23Å; D467-L471 PolarHBondContact O-N 3.07Å; D467-L471 VanDerWaalsContact O-N 3.12Å; L471-M474 PolarHBondContact O-N 2.93Å; L471-G476 WeakPolarHBondContact O-CA 3.21Å; L471-G476 PolarHBondContact O-N 3.21Å
472H64.8Low61.2Low165 Ų16591.9 Ų91.976%0.76449%0.489SS*.Hα-helixtrans-69.6-40176.7-124.4-62.8000112.3P468 R469 V470 M474 G475P468-H472 PolarHBondContact O-N 3Å; R469-H472 PolarHBondContact O-N 2.69Å; V470-H472 VanDerWaalsContact C-N 3.31Å; V470-H472 PolarHBondContact O-N 3.23Å; H472-M474 PolarHBondContact O-N 3.01Å; H472-G475 PolarHBondContact O-N 3.18Å
473H63.5Low61.6Low176 Ų17691.5 Ų91.582%0.81549%0.487SS*.Hα-helixtrans-68.9-21.4178.4-143.8-60.7000113R469 V470R469-H473 WeakPolarHBondContact O-CB 3.31Å; R469-H473 PolarHBondContact O-N 2.76Å; R469-H473 VanDerWaalsContact O-N 3.1Å; V470-H473 PolarHBondContact O-N 2.83Å
474M54.5Low61.5Low55 Ų5593.9 Ų93.927%0.27150%0.495SS..THydrogen-bonded Turntrans-94.18.9175.6-70.4-177.770.700113.9M466 V470 L471 H472 G479 L480 M483M466-M474 HydrophobicContact CE-SD 3.88Å; V470-M474 HydrophobicContact CG1-SD 4.06Å; V470-M474 WeakPolarHBondContact O-CB 3Å; V470-M474 WeakPolarHBondContact O-CG 3.36Å; V470-M474 PolarHBondContact O-N 3.37Å; L471-M474 PolarHBondContact O-N 2.93Å; H472-M474 PolarHBondContact O-N 3.01Å; M474-G479 VanDerWaalsContact O-CA 3.27Å; M474-G479 WeakPolarHBondContact O-CA 3.28Å; M474-L480 HydrophobicContact CE-CD1 3.99Å; M474-M483 HydrophobicContact CE-CE 3.46Å; M474-M483 VanDerWaalsContact CE-CE 3.46Å; M474-M483 HydrophobicContact CE-SD 3.43Å; M474-M483 WeakPolarHBondContact CE-SD 3.36Å
475G70.6Confident61.3Low54 Ų5493.4 Ų93.456%0.55749%0.488SS*.THydrogen-bonded Turntrans79.525.117800000114.7H472 G479H472-G475 PolarHBondContact O-N 3.18Å; G475-G479 PolarHBondContact O-N 3.5Å
476G70.9Confident61.4Low23 Ų2392.2 Ų92.224%0.23748%0.481CS..Hα-helixtrans66.2-160178.900000113.5L471 A478 G479 L480L471-G476 WeakPolarHBondContact O-CA 3.21Å; L471-G476 PolarHBondContact O-N 3.21Å; G476-A478 PolarHBondContact O-N 3.05Å; G476-G479 PolarHBondContact O-N 3.31Å; G476-G479 VanDerWaalsContact O-N 3.16Å; G476-L480 PolarHBondContact O-N 2.67Å
477M54.9Low61.1Low99 Ų9997.2 Ų97.249%0.48850%0.501SS..Hα-helixtrans-59.8-30.4-178.5-76.8-63.7-68.600113.4A463 Q481A463-M477 HydrophobicContact CB-SD 3.87Å; M477-Q481 WeakPolarHBondContact O-CB 3.44Å; M477-Q481 PolarHBondContact O-N 3.33Å
478A60.9Low60.6Low72 Ų7299.6 Ų99.660%0.59551%0.509SS*.Hα-helixtrans-69.9-40.1177.500000112.1G476 Q481 S482G476-A478 PolarHBondContact O-N 3.05Å; A478-Q481 PolarHBondContact O-N 2.72Å; A478-S482 PolarHBondContact O-N 3.13Å
479G67.9Low60.2Low15 Ų15101.8 Ų101.816%0.15551%0.511CS..Hα-helixtrans-69.9-37.5177.300000113.1M474 G475 G476 Q481 S482 M483M474-G479 VanDerWaalsContact O-CA 3.27Å; M474-G479 WeakPolarHBondContact O-CA 3.28Å; G475-G479 PolarHBondContact O-N 3.5Å; G476-G479 PolarHBondContact O-N 3.31Å; G476-G479 VanDerWaalsContact O-N 3.16Å; G479-Q481 VanDerWaalsContact C-N 3.28Å; G479-Q481 PolarHBondContact O-N 2.78Å; G479-S482 WeakPolarHBondContact CA-OG 3.48Å; G479-S482 PolarHBondContact O-N 3.28Å; G479-S482 PolarHBondContact O-OG 2.92Å; G479-M483 PolarHBondContact O-N 3.02Å
480L61.4Low59Low20 Ų2094 Ų9411%0.10550%0.496CS..Hα-helixtrans-60.5-38.9171.7-152.390.1000111.9M466 M474 G476 M483 M484M466-L480 HydrophobicContact SD-CD1 4.08Å; M474-L480 HydrophobicContact CE-CD1 3.99Å; G476-L480 PolarHBondContact O-N 2.67Å; L480-M483 PolarHBondContact O-N 3.18Å; L480-M484 PolarHBondContact O-N 3.17Å
481Q58.3Low58Low129 Ų12993.8 Ų93.860%0.60350%0.501SS*.Hα-helixtrans-72.3-34.2179.2-157169.317.300112.3M477 A478 G479 R485M477-Q481 WeakPolarHBondContact O-CB 3.44Å; M477-Q481 PolarHBondContact O-N 3.33Å; A478-Q481 PolarHBondContact O-N 2.72Å; G479-Q481 VanDerWaalsContact C-N 3.28Å; G479-Q481 PolarHBondContact O-N 2.78Å; Q481-R485 PolarHBondContact O-N 3Å; Q481-R485 VanDerWaalsContact O-N 3.13Å
482S65.2Low57.1Low70 Ų7095.3 Ų95.349%0.4952%0.519SS..Hα-helixtrans-67.2-41.4172.3760000112.1A478 G479 R485 Q486A478-S482 PolarHBondContact O-N 3.13Å; G479-S482 WeakPolarHBondContact CA-OG 3.48Å; G479-S482 PolarHBondContact O-N 3.28Å; G479-S482 PolarHBondContact O-OG 2.92Å; S482-R485 PolarHBondContact O-N 3.45Å; S482-Q486 PolarHBondContact O-N 3.09Å
483M59.9Low55.9Low94 Ų9489.9 Ų89.946%0.46351%0.508SS..Hα-helixtrans-65.7-42.1176.8-175.6-176.6-88.800111.4M474 G479 L480 R485 Q486 F487M474-M483 HydrophobicContact CE-CE 3.46Å; M474-M483 VanDerWaalsContact CE-CE 3.46Å; M474-M483 HydrophobicContact CE-SD 3.43Å; M474-M483 WeakPolarHBondContact CE-SD 3.36Å; G479-M483 PolarHBondContact O-N 3.02Å; L480-M483 PolarHBondContact O-N 3.18Å; M483-R485 PolarHBondContact O-N 3.43Å; M483-Q486 PolarHBondContact O-N 3.14Å; M483-F487 PolarHBondContact O-N 3.01Å
484M55.5Low54.7Low75 Ų7588.2 Ų88.237%0.36951%0.505SS..Hα-helixtrans-62.6-40174.7-89.8-154.4179.700112.8N459 L480 Q486 F487 Q488N459-M484 WeakPolarHBondContact OD1-CE 3.48Å; L480-M484 PolarHBondContact O-N 3.17Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.41Å; M484-F487 PolarHBondContact O-N 3.27Å; M484-Q488 PolarHBondContact O-N 2.94Å
485R62.3Low53.8Low175 Ų17592.6 Ų92.666%0.6653%0.526SS*.Hα-helixtrans-62.2-40.1174-86.5-176.3174.8177.4-0.5111.8Q481 S482 M483 Q488 Q489Q481-R485 PolarHBondContact O-N 3Å; Q481-R485 VanDerWaalsContact O-N 3.13Å; S482-R485 PolarHBondContact O-N 3.45Å; M483-R485 PolarHBondContact O-N 3.43Å; R485-Q488 PolarHBondContact O-N 3.44Å; R485-Q489 WeakPolarHBondContact O-CG 3.28Å; R485-Q489 PolarHBondContact O-N 3.24Å
486Q59.7Low52.2Low142 Ų14299 Ų9966%0.66454%0.539SS*.Hα-helixtrans-68.7-36.7178.5-151.917314.300111.7S482 M483 M484 Q489 G490S482-Q486 PolarHBondContact O-N 3.09Å; M483-Q486 PolarHBondContact O-N 3.14Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.41Å; Q486-Q489 PolarHBondContact O-N 3.49Å; Q486-G490 PolarHBondContact O-N 3.06Å
487F46.9Very low50.5Low168 Ų168100.8 Ų100.874%0.73756%0.558SS**Hα-helixtrans-66.6-39.8173.4-129.6-88.1000112.2M483 M484 G490 A491M483-F487 PolarHBondContact O-N 3.01Å; M484-F487 PolarHBondContact O-N 3.27Å; F487-G490 PolarHBondContact O-N 3.47Å; F487-A491 WeakPolarHBondContact O-CB 3.47Å; F487-A491 PolarHBondContact O-N 3.15Å; F487-A491 VanDerWaalsContact O-N 3.08Å
488Q49Very low49.7Very low144 Ų144104.4 Ų104.467%0.67358%0.576SS**Hα-helixtrans-65.5-39174.7-111.6178.5-4.300112.5M484 R485 A492M484-Q488 PolarHBondContact O-N 2.94Å; R485-Q488 PolarHBondContact O-N 3.44Å; Q488-A492 PolarHBondContact O-N 3.31Å
489Q49.9Very low48.5Very low146 Ų146109.3 Ų109.368%0.68259%0.588SS**Hα-helixtrans-72.8-37176.7-76178.4-5.800112.5R485 Q486 A492 G493R485-Q489 WeakPolarHBondContact O-CG 3.28Å; R485-Q489 PolarHBondContact O-N 3.24Å; Q486-Q489 PolarHBondContact O-N 3.49Å; Q489-A492 PolarHBondContact O-N 2.92Å; Q489-G493 PolarHBondContact O-N 3.35Å; Q489-G493 VanDerWaalsContact O-N 3.16Å
490G40.7Very low47.1Very low47 Ų47111.5 Ų111.549%0.48561%0.611SS.*Hα-helixtrans-65.4-35.5175.300000113.5Q486 F487Q486-G490 PolarHBondContact O-N 3.06Å; F487-G490 PolarHBondContact O-N 3.47Å
491A41.1Very low46Very low63 Ų63120 Ų12052%0.52165%0.648SS.*Hα-helixtrans-70.7-30175.700000113.3F487F487-A491 WeakPolarHBondContact O-CB 3.47Å; F487-A491 PolarHBondContact O-N 3.15Å; F487-A491 VanDerWaalsContact O-N 3.08Å
492A41.9Very low44.9Very low69 Ų69121.4 Ų121.457%0.5766%0.66SS**Hα-helixtrans-78.8-30.9176.900000113.2Q488 Q489Q488-A492 PolarHBondContact O-N 3.31Å; Q489-A492 PolarHBondContact O-N 2.92Å
493G38.8Very low43.5Very low51 Ų51125.7 Ų125.753%0.52668%0.677SS.*Hα-helixtrans-69.9-38.6179.200000113.9Q489 M495Q489-G493 PolarHBondContact O-N 3.35Å; Q489-G493 VanDerWaalsContact O-N 3.16Å; G493-M495 VanDerWaalsContact C-N 3.31Å; G493-M495 PolarHBondContact O-N 3.05Å
494N38.2Very low42.3Very low141 Ų141134 Ų13475%0.75472%0.718SS**Hα-helixtrans-74.3-17.9-178.6-104.47.2000114.2
495M35.2Very low41.6Very low147 Ų147137 Ų13772%0.72474%0.735SS**Hα-helixtrans-82.2-19.9-179.9-145.8-176.7-76.800112.8G493G493-M495 VanDerWaalsContact C-N 3.31Å; G493-M495 PolarHBondContact O-N 3.05Å
496K37.2Very low40.5Very low188 Ų188134.9 Ų134.982%0.81774%0.739SS**Hα-helixtrans-82.5-25.8176.3-109.7-175.3176.8-175.90113.8M498K496-M498 VanDerWaalsContact C-N 3.33Å
497G36.3Very low39.5Very low62 Ų62134.6 Ų134.664%0.63974%0.743SS**SBendtrans-75.6-18.9178.300000114.3
498M36.4Very low39Very low174 Ų174132.6 Ų132.686%0.85774%0.744SS**SBendtrans-96.6-7.2-173.5-121.6175.6166.500114.5K496K496-M498 VanDerWaalsContact C-N 3.33Å
499M36.7Very low38.4Very low175 Ų175131.9 Ų131.986%0.86275%0.748SS**SBendtrans-97.36.1175.9-78.9-158.9175.400114.3
500G38.3Very low37.6Very low62 Ų62130.9 Ų130.964%0.63975%0.753SS**SBendtrans-97.2-2-174.300000117
501F38.1Very low37.4Very low198 Ų198136.9 Ų136.987%0.86877%0.772SS**SBendtrans-120.148.7-173.6-92.4-79.8000113.1
502N35.3Very low37.1Very low159 Ų159142.6 Ų142.685%0.8579%0.791SS**SBendtrans-145.446.2169.2-130.923000112.4
503N36.6Very low36.7Very low160 Ų160148.8 Ų148.886%0.85681%0.809SS**  trans-159.482.5160.4-110.60.7000109.7
504M33.6Very low36.5Very low268 Ų268157.6 Ų157.6100%1.3284%0.835SS**  trans-168.90142.2-102.3-178.8-156.200109

Retrieved 504 of 504 residues in 3995.2 ms (Link to these results)

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