A0A060W6P8_ONCMY 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 , UniProt , Accession A0A060W6P8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene srp54, 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
1M48.4Very low69.8Low112 Ų11249.2 Ų49.255%0.55225%0.248SC*.  0131.50-65.9177.287.500108.8L3 A4 D5 L250M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.35Å; M1-A4 HydrophobicContact CB-CB 4.36Å; M1-A4 WeakPolarHBondContact O-CA 3.18Å; M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-D5 PolarHBondContact O-N 3.35Å; M1-L250 WeakPolarHBondContact CE-O 3.06Å
2V51.8Low71Confident23 Ų2350.5 Ų50.514%0.13927%0.265CS..Hα-helixtrans-74.2-23.5-174173.60000113.3A4 D5 L6 H253 K255V2-A4 PolarHBondContact O-N 3.47Å; V2-D5 WeakPolarHBondContact O-CA 2.9Å; V2-D5 WeakPolarHBondContact O-CB 3.2Å; V2-D5 PolarHBondContact O-N 2.95Å; V2-L6 PolarHBondContact O-N 2.73Å; V2-H253 WeakPolarHBondContact CB-O 3.19Å; V2-H253 VanDerWaalsContact CG2-CA 3.5Å; V2-H253 HydrophobicContact CG2-CB 3.81Å; V2-H253 WeakPolarHBondContact CG2-O 3.4Å; V2-K255 HydrophobicContact CG1-CB 4.07Å; V2-K255 HydrophobicContact CG1-CG 3.4Å; V2-K255 VanDerWaalsContact CG1-CG 3.4Å
3L61.8Low71.9Confident26 Ų2646.6 Ų46.614%0.13625%0.245CC..Hα-helixtrans-58.7-34.2163.5-76.7173.3000112.4M1 D5 G7 L250 F290 L294M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.35Å; L3-D5 VanDerWaalsContact C-N 3.29Å; L3-D5 PolarHBondContact O-N 2.86Å; L3-G7 PolarHBondContact O-N 3.33Å; L3-L250 HydrophobicContact CD1-CD2 3.85Å; L3-F290 HydrophobicContact CD1-CE2 3.77Å; L3-F290 HydrophobicContact CD1-CZ 3.85Å; L3-F290 HydrophobicContact CD2-CZ 3.93Å; L3-L294 HydrophobicContact CB-CD1 4.34Å; L3-L294 HydrophobicContact CD2-CD1 3.9Å; L3-L294 VanDerWaalsContact O-CD1 3.24Å; L3-L294 WeakPolarHBondContact O-CD1 3.41Å
4A64.8Low72.4Confident47 Ų4744.4 Ų44.439%0.38823%0.233SC..Hα-helixtrans-69.9-29.2173.400000111.5M1 V2 R8M1-A4 HydrophobicContact CB-CB 4.36Å; M1-A4 WeakPolarHBondContact O-CA 3.18Å; M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 3.47Å; V2-A4 PolarHBondContact O-N 3.47Å; A4-R8 WeakPolarHBondContact O-CB 3.18Å; A4-R8 WeakPolarHBondContact O-CG 3.41Å; A4-R8 PolarHBondContact O-N 3.31Å
5D71.5Confident72.8Confident58 Ų5850.8 Ų50.831%0.3125%0.253SS..Hα-helixtrans-74.5-45.5177.8-63.1-9000111.6M1 V2 L3 G7 R8 K9M1-D5 PolarHBondContact O-N 3.35Å; V2-D5 WeakPolarHBondContact O-CA 2.9Å; V2-D5 WeakPolarHBondContact O-CB 3.2Å; V2-D5 PolarHBondContact O-N 2.95Å; L3-D5 VanDerWaalsContact C-N 3.29Å; L3-D5 PolarHBondContact O-N 2.86Å; D5-G7 VanDerWaalsContact C-N 3.25Å; D5-G7 PolarHBondContact O-N 3.17Å; D5-R8 PolarHBondContact O-N 2.92Å; D5-R8 IonicContact OD1-CZ 3.2Å; D5-R8 IonicContact OD1-NE 2.82Å; D5-R8 PolarHBondContact OD1-NE 3.4Å; D5-R8 IonicContact OD1-NH2 2.86Å; D5-R8 PolarHBondContact OD1-NH2 2.89Å; D5-K9 PolarHBondContact O-N 3.44Å
6L74.8Confident73Confident14 Ų1450.9 Ų50.97%0.07326%0.26CS..Hα-helixtrans-55.3-47.5169.4174.757.9000110V2 R8 K9 I10 A38 L39 A42 L294V2-L6 PolarHBondContact O-N 2.73Å; L6-R8 PolarHBondContact O-N 3.47Å; L6-K9 PolarHBondContact O-N 2.9Å; L6-I10 HydrophobicContact CD1-CD1 3.69Å; L6-I10 HydrophobicContact CD1-CG1 4.08Å; L6-I10 HydrophobicContact CG-CD1 3.91Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.96Å; L6-A38 HydrophobicContact CD1-CB 3.86Å; L6-A38 WeakPolarHBondContact CD1-O 3.31Å; L6-L39 HydrophobicContact CD1-CD2 4.32Å; L6-L39 HydrophobicContact CD2-CD2 4.45Å; L6-A42 HydrophobicContact CD1-CB 3.97Å; L6-A42 HydrophobicContact CD2-CB 3.74Å; L6-A42 HydrophobicContact CG-CB 4.3Å; L6-L294 HydrophobicContact CB-CD1 4.19Å; L6-L294 HydrophobicContact CD2-CD1 3.89Å; L6-L294 HydrophobicContact CD2-CD2 4.2Å; L6-L294 HydrophobicContact CG-CD1 3.97Å
7G74.8Confident73.2Confident4 Ų447.9 Ų47.94%0.04125%0.245CC..Hα-helixtrans-58.7-45176.900000113.8L3 D5 K9 I10 T11 L294L3-G7 PolarHBondContact O-N 3.33Å; D5-G7 VanDerWaalsContact C-N 3.25Å; D5-G7 PolarHBondContact O-N 3.17Å; G7-K9 PolarHBondContact O-N 3.47Å; G7-I10 PolarHBondContact O-N 2.86Å; G7-T11 WeakPolarHBondContact O-CB 3.28Å; G7-T11 PolarHBondContact O-N 2.89Å; G7-T11 PolarHBondContact O-OG1 3.46Å; G7-L294 WeakPolarHBondContact CA-O 3.23Å
8R77.6Confident73Confident138 Ų13847.7 Ų47.752%0.52125%0.248SC..Hα-helixtrans-61.4-43.4175.3-79.5-172.7-61.2160.6-0.7112.1A4 D5 L6 T11 S12 T357A4-R8 WeakPolarHBondContact O-CB 3.18Å; A4-R8 WeakPolarHBondContact O-CG 3.41Å; A4-R8 PolarHBondContact O-N 3.31Å; D5-R8 PolarHBondContact O-N 2.92Å; D5-R8 IonicContact OD1-CZ 3.2Å; D5-R8 IonicContact OD1-NE 2.82Å; D5-R8 PolarHBondContact OD1-NE 3.4Å; D5-R8 IonicContact OD1-NH2 2.86Å; D5-R8 PolarHBondContact OD1-NH2 2.89Å; L6-R8 PolarHBondContact O-N 3.47Å; R8-T11 PolarHBondContact O-N 3.49Å; R8-S12 VanDerWaalsContact O-CB 3.26Å; R8-S12 WeakPolarHBondContact O-CB 3.33Å; R8-S12 PolarHBondContact O-N 3.4Å; R8-T357 HydrophobicContact CG-CG2 4.44Å
9K82.8Confident73.1Confident90 Ų9052.1 Ų52.139%0.39127%0.272SS..Hα-helixtrans-64.9-46.3178.1-71.8-172179.8-169.40111.8D5 L6 G7 T11 S12 A13 A38 E41D5-K9 PolarHBondContact O-N 3.44Å; L6-K9 PolarHBondContact O-N 2.9Å; G7-K9 PolarHBondContact O-N 3.47Å; K9-T11 PolarHBondContact O-N 2.96Å; K9-S12 WeakPolarHBondContact O-CB 3.28Å; K9-S12 PolarHBondContact O-N 3.02Å; K9-A13 PolarHBondContact O-N 2.89Å; K9-A38 HydrophobicContact CB-CB 3.79Å; K9-A38 HydrophobicContact CD-CB 4.3Å; K9-E41 WeakPolarHBondContact CD-OE2 3.45Å; K9-E41 VanDerWaalsContact NZ-CD 3.27Å; K9-E41 IonicContact NZ-OE1 3.97Å; K9-E41 PolarHBondContact NZ-OE1 3.44Å; K9-E41 IonicContact NZ-OE2 3.24Å; K9-E41 PolarHBondContact NZ-OE2 2.86Å
10I80.3Confident73.1Confident0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-64.3-43176.2-61.7171.2000110.4L6 G7 S12 A13 L14 V35 A38 L39 L295L6-I10 HydrophobicContact CD1-CD1 3.69Å; L6-I10 HydrophobicContact CD1-CG1 4.08Å; L6-I10 HydrophobicContact CG-CD1 3.91Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.96Å; G7-I10 PolarHBondContact O-N 2.86Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 2.77Å; I10-A13 WeakPolarHBondContact O-CB 3.36Å; I10-A13 PolarHBondContact O-N 3.33Å; I10-L14 HydrophobicContact CG2-CD1 4.1Å; I10-L14 HydrophobicContact CG2-CG 4.3Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 3.28Å; I10-V35 HydrophobicContact CG1-CG1 4.41Å; I10-V35 HydrophobicContact CG2-CG2 4.24Å; I10-A38 HydrophobicContact CG1-CB 4.27Å; I10-L39 HydrophobicContact CD1-CD2 4.33Å; I10-L295 HydrophobicContact CB-CD2 4.16Å; I10-L295 HydrophobicContact CG2-CD2 3.29Å
11T79.5Confident73Confident29 Ų2954.6 Ų54.618%0.17829%0.294CS..Hα-helixtrans-62.4-39.2177-56.20000111.4G7 R8 K9 L14 R15 L295G7-T11 WeakPolarHBondContact O-CB 3.28Å; G7-T11 PolarHBondContact O-N 2.89Å; G7-T11 PolarHBondContact O-OG1 3.46Å; R8-T11 PolarHBondContact O-N 3.49Å; K9-T11 PolarHBondContact O-N 2.96Å; T11-L14 PolarHBondContact O-N 3.28Å; T11-R15 HydrophobicContact CG2-CG 4.47Å; T11-R15 WeakPolarHBondContact O-CB 3.46Å; T11-R15 VanDerWaalsContact O-CG 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.4Å; T11-R15 PolarHBondContact O-N 3.01Å; T11-L295 PolarHBondContact OG1-O 3.32Å; T11-L295 VanDerWaalsContact OG1-O 3.1Å
12S83.5Confident74.3Confident65 Ų6555.8 Ų55.846%0.45530%0.301SS..Hα-helixtrans-62.1-47.6173.9-178.70000111.4R8 K9 I10 L14 R15 S16R8-S12 VanDerWaalsContact O-CB 3.26Å; R8-S12 WeakPolarHBondContact O-CB 3.33Å; R8-S12 PolarHBondContact O-N 3.4Å; K9-S12 WeakPolarHBondContact O-CB 3.28Å; K9-S12 PolarHBondContact O-N 3.02Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 2.77Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.38Å; S12-R15 WeakPolarHBondContact O-CB 3.29Å; S12-R15 PolarHBondContact O-N 3.01Å; S12-R15 VanDerWaalsContact O-N 3.13Å; S12-S16 PolarHBondContact O-N 3.46Å
13A83.1Confident75.5Confident0 Ų055.8 Ų55.80%030%0.3CS..Hα-helixtrans-58.4-44174.900000111.4K9 I10 S16 M31 E34 V35K9-A13 PolarHBondContact O-N 2.89Å; I10-A13 WeakPolarHBondContact O-CB 3.36Å; I10-A13 PolarHBondContact O-N 3.33Å; A13-S16 WeakPolarHBondContact O-CB 3.46Å; A13-S16 PolarHBondContact O-N 3.33Å; A13-S16 PolarHBondContact O-OG 3.04Å; A13-M31 HydrophobicContact CB-CG 4.31Å; A13-M31 WeakPolarHBondContact O-CG 3.39Å; A13-E34 WeakPolarHBondContact CA-OE2 3.01Å; A13-E34 HydrophobicContact CB-CB 3.98Å; A13-E34 HydrophobicContact CB-CG 3.88Å; A13-V35 HydrophobicContact CB-CG2 3.81Å
14L78.7Confident76.4Confident15 Ų1557.5 Ų57.58%0.07931%0.31CS..Hα-helixtrans-69.3-31176.7-66.8179000113I10 T11 S12 L17 S18 M31 Q76 L295I10-L14 HydrophobicContact CG2-CD1 4.1Å; I10-L14 HydrophobicContact CG2-CG 4.3Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 3.28Å; T11-L14 PolarHBondContact O-N 3.28Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-S18 PolarHBondContact O-N 3.43Å; L14-M31 HydrophobicContact CD2-CE 4.44Å; L14-M31 HydrophobicContact CD2-SD 4.04Å; L14-Q76 HydrophobicContact CD1-CG 4.39Å; L14-Q76 HydrophobicContact CD2-CG 4.05Å; L14-L295 HydrophobicContact CD1-CD2 4.07Å
15R78.6Confident77.3Confident141 Ų14159.9 Ų59.953%0.53231%0.313SS..Hα-helixtrans-70.6-35.8173.2-80.4179.4-176.7-174.71.9111.7T11 S12 L17 S18 N19T11-R15 HydrophobicContact CG2-CG 4.47Å; T11-R15 WeakPolarHBondContact O-CB 3.46Å; T11-R15 VanDerWaalsContact O-CG 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.4Å; T11-R15 PolarHBondContact O-N 3.01Å; S12-R15 WeakPolarHBondContact O-CB 3.29Å; S12-R15 PolarHBondContact O-N 3.01Å; S12-R15 VanDerWaalsContact O-N 3.13Å; R15-L17 PolarHBondContact O-N 2.73Å; R15-S18 WeakPolarHBondContact CA-OG 3.24Å; R15-S18 WeakPolarHBondContact O-CA 3.44Å; R15-S18 WeakPolarHBondContact O-CB 3.36Å; R15-S18 PolarHBondContact O-N 2.96Å; R15-S18 PolarHBondContact O-OG 2.86Å; R15-N19 PolarHBondContact O-N 3.3Å; R15-N19 VanDerWaalsContact O-N 3.14Å
16S76.7Confident77.9Confident53 Ų5364.1 Ų64.137%0.37133%0.331SS..Hα-helixtrans-56.6-39.6175810000111.3S12 A13 S18 N19 A20S12-S16 PolarHBondContact O-N 3.46Å; A13-S16 WeakPolarHBondContact O-CB 3.46Å; A13-S16 PolarHBondContact O-N 3.33Å; A13-S16 PolarHBondContact O-OG 3.04Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.46Å; S16-N19 PolarHBondContact O-N 2.91Å; S16-A20 PolarHBondContact O-N 3.37Å
17L75.7Confident78.4Confident0 Ų065.4 Ų65.40%034%0.339CS..Hα-helixtrans-69.1-28.2175.8-163.5137.6000112.8L14 R15 N19 I23 M31 R72 I75L14-L17 PolarHBondContact O-N 3.33Å; R15-L17 PolarHBondContact O-N 2.73Å; L17-N19 VanDerWaalsContact C-N 3.35Å; L17-I23 HydrophobicContact CD2-CD1 4.12Å; L17-M31 HydrophobicContact CD1-CB 4.22Å; L17-M31 HydrophobicContact CD1-CE 3.92Å; L17-M31 HydrophobicContact CD1-CG 4.13Å; L17-R72 HydrophobicContact CD2-CB 4.17Å; L17-R72 HydrophobicContact CD2-CG 4.02Å; L17-I75 HydrophobicContact CD1-CD1 4.17Å; L17-I75 HydrophobicContact CD1-CG2 4.04Å; L17-I75 HydrophobicContact CD2-CD1 4.19Å
18S69.7Low78.9Confident43 Ų4365.4 Ų65.430%0.30134%0.338SS..Hα-helixtrans-72.1-28.117476.50000113.3L14 R15 S16 R72L14-S18 PolarHBondContact O-N 3.43Å; R15-S18 WeakPolarHBondContact CA-OG 3.24Å; R15-S18 WeakPolarHBondContact O-CA 3.44Å; R15-S18 WeakPolarHBondContact O-CB 3.36Å; R15-S18 PolarHBondContact O-N 2.96Å; R15-S18 PolarHBondContact O-OG 2.86Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.46Å; S18-R72 PolarHBondContact O-NH1 3.46Å; S18-R72 PolarHBondContact O-NH2 2.98Å
19N74.6Confident79.4Confident131 Ų13160.6 Ų60.670%0.70132%0.323SS*.Hα-helixtrans-85.7-21.4179.9-68-15.4000113.1R15 S16 L17 T21R15-N19 PolarHBondContact O-N 3.3Å; R15-N19 VanDerWaalsContact O-N 3.14Å; S16-N19 PolarHBondContact O-N 2.91Å; L17-N19 VanDerWaalsContact C-N 3.35Å; N19-T21 PolarHBondContact O-N 3.47Å
20A73.8Confident79.7Confident22 Ų2259.2 Ų59.218%0.18233%0.328CS..  trans-70.1125.5179.200000111.9S16 V27 R72S16-A20 PolarHBondContact O-N 3.37Å; A20-V27 HydrophobicContact CB-CG1 4.16Å; A20-R72 PolarHBondContact O-NH2 3.29Å
21T71.4Confident80.1Confident135 Ų13559.3 Ų59.383%0.82833%0.328SS*.SBendtrans-71.7-34.9-177.5-28.90000112.5N19N19-T21 PolarHBondContact O-N 3.47Å
22I76.1Confident80.5Confident137 Ų13757.9 Ų57.970%0.70332%0.32SS*.SBendtrans-124.4130.8176.2-59.3173.2000107.7
23I76.9Confident80.9Confident23 Ų2361.9 Ų61.912%0.11833%0.329CS..  trans-101.2103.2178.3-57.1171.8000107.2L17 K71 R72 I75L17-I23 HydrophobicContact CD2-CD1 4.12Å; I23-K71 HydrophobicContact CD1-CB 4.06Å; I23-R72 HydrophobicContact CD1-CB 4.44Å; I23-R72 HydrophobicContact CD1-CG 3.37Å; I23-I75 HydrophobicContact CG2-CD1 3.79Å
24N80.6Confident81.2Confident62 Ų6265.5 Ų65.533%0.33235%0.346SS..  trans-106.8174.8174.168.1-0.5000110.5E26 V27 L28N24-E26 PolarHBondContact ND2-OE2 3.11Å; N24-E26 PolarHBondContact O-N 3.01Å; N24-E26 PolarHBondContact OD1-N 3.49Å; N24-V27 PolarHBondContact O-N 3.46Å; N24-V27 WeakPolarHBondContact OD1-CB 3.48Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.31Å; N24-V27 PolarHBondContact OD1-N 3.44Å; N24-L28 PolarHBondContact O-N 3.26Å; N24-L28 VanDerWaalsContact O-N 3.17Å
25E83Confident81.7Confident97 Ų9764.8 Ų64.845%0.45334%0.342SS..Hα-helixtrans-62.8-30.9-179.7-153.5-164.3151.100112.4L28 N29 K57 L62E25-L28 PolarHBondContact O-N 3.39Å; E25-N29 WeakPolarHBondContact O-CB 3.35Å; E25-N29 PolarHBondContact O-N 2.89Å; E25-N29 PolarHBondContact O-ND2 2.9Å; E25-N29 PolarHBondContact OE1-ND2 3.02Å; E25-K57 WeakPolarHBondContact OE1-CE 3.48Å; E25-K57 IonicContact OE1-NZ 2.73Å; E25-K57 PolarHBondContact OE1-NZ 3.41Å; E25-L62 HydrophobicContact CB-CD1 4Å; E25-L62 HydrophobicContact CG-CD1 4.15Å
26E84.9Confident82.2Confident148 Ų14858.7 Ų58.769%0.69232%0.321SS*.Hα-helixtrans-65-46.7177.5-62.6179.4158.300111.9N24 L28 N29 A30N24-E26 PolarHBondContact ND2-OE2 3.11Å; N24-E26 PolarHBondContact O-N 3.01Å; N24-E26 PolarHBondContact OD1-N 3.49Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.27Å; E26-N29 PolarHBondContact O-N 3.43Å; E26-A30 WeakPolarHBondContact O-CB 3.26Å; E26-A30 PolarHBondContact O-N 3.45Å
27V85Confident82.8Confident41 Ų4158.3 Ų58.325%0.24832%0.321CS..Hα-helixtrans-62.8-41176.61710000110.7A20 N24 A30 M31A20-V27 HydrophobicContact CB-CG1 4.16Å; N24-V27 PolarHBondContact O-N 3.46Å; N24-V27 WeakPolarHBondContact OD1-CB 3.48Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.31Å; N24-V27 PolarHBondContact OD1-N 3.44Å; V27-A30 PolarHBondContact O-N 2.98Å; V27-M31 WeakPolarHBondContact O-CB 3.45Å; V27-M31 PolarHBondContact O-N 3.38Å
28L84.8Confident83.4Confident3 Ų358.5 Ų58.52%0.01632%0.323CS..Hα-helixtrans-62.1-48.2175.1178.362000111.4N24 E25 E26 A30 M31 L32 I60 L62 I75N24-L28 PolarHBondContact O-N 3.26Å; N24-L28 VanDerWaalsContact O-N 3.17Å; E25-L28 PolarHBondContact O-N 3.39Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.27Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.99Å; L28-M31 HydrophobicContact CD1-CE 3.92Å; L28-M31 PolarHBondContact O-N 3.06Å; L28-L32 HydrophobicContact CD1-CD1 4.19Å; L28-L32 HydrophobicContact CD1-CG 4.25Å; L28-L32 HydrophobicContact CG-CD1 4.1Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.84Å; L28-I60 HydrophobicContact CD1-CD1 3.99Å; L28-I60 HydrophobicContact CD2-CB 4.49Å; L28-I60 HydrophobicContact CD2-CD1 4.31Å; L28-I60 HydrophobicContact CD2-CG2 4.11Å; L28-L62 HydrophobicContact CD2-CD1 4.43Å; L28-I75 HydrophobicContact CD1-CD1 4.41Å; L28-I75 HydrophobicContact CD1-CG2 3.97Å
29N87.6Confident84.1Confident37 Ų3756.5 Ų56.520%0.19831%0.309CS..Hα-helixtrans-64.4-37.7179.2-79.6-53.9000112.4E25 E26 K33E25-N29 WeakPolarHBondContact O-CB 3.35Å; E25-N29 PolarHBondContact O-N 2.89Å; E25-N29 PolarHBondContact O-ND2 2.9Å; E25-N29 PolarHBondContact OE1-ND2 3.02Å; E26-N29 PolarHBondContact O-N 3.43Å; N29-K33 WeakPolarHBondContact O-CB 3.42Å; N29-K33 PolarHBondContact O-N 2.7Å
30A88.5Confident84.7Confident61 Ų6153.7 Ų53.750%0.50429%0.293SS..Hα-helixtrans-63.8-47.3175.600000111.5E26 V27 L28 K33 E34E26-A30 WeakPolarHBondContact O-CB 3.26Å; E26-A30 PolarHBondContact O-N 3.45Å; V27-A30 PolarHBondContact O-N 2.98Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.99Å; A30-K33 WeakPolarHBondContact O-CB 3.32Å; A30-K33 PolarHBondContact O-N 3.42Å; A30-E34 PolarHBondContact O-N 2.93Å
31M88.8Confident85.2Confident2 Ų257.4 Ų57.41%0.0131%0.307CS..Hα-helixtrans-61.1-47.6176.1-179.1-79.4-71.400111.4A13 L14 L17 V27 L28 K33 E34 V35 I75 V79A13-M31 HydrophobicContact CB-CG 4.31Å; A13-M31 WeakPolarHBondContact O-CG 3.39Å; L14-M31 HydrophobicContact CD2-CE 4.44Å; L14-M31 HydrophobicContact CD2-SD 4.04Å; L17-M31 HydrophobicContact CD1-CB 4.22Å; L17-M31 HydrophobicContact CD1-CE 3.92Å; L17-M31 HydrophobicContact CD1-CG 4.13Å; V27-M31 WeakPolarHBondContact O-CB 3.45Å; V27-M31 PolarHBondContact O-N 3.38Å; L28-M31 HydrophobicContact CD1-CE 3.92Å; L28-M31 PolarHBondContact O-N 3.06Å; M31-K33 PolarHBondContact O-N 3.34Å; M31-E34 PolarHBondContact O-N 3.26Å; M31-E34 VanDerWaalsContact O-N 3.12Å; M31-V35 WeakPolarHBondContact O-CG2 3.48Å; M31-V35 PolarHBondContact O-N 2.82Å; M31-V35 HydrophobicContact SD-CG2 3.62Å; M31-I75 HydrophobicContact CE-CG2 3.58Å; M31-V79 HydrophobicContact CE-CG2 4.23Å
32L89.3Confident85.6Confident0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-60.5-36.4177.6-72.6175.7000111.9L28 V35 C36 R53 V56L28-L32 HydrophobicContact CD1-CD1 4.19Å; L28-L32 HydrophobicContact CD1-CG 4.25Å; L28-L32 HydrophobicContact CG-CD1 4.1Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.84Å; L32-V35 PolarHBondContact O-N 3.49Å; L32-C36 VanDerWaalsContact O-CB 3.28Å; L32-C36 WeakPolarHBondContact O-CB 3.44Å; L32-C36 PolarHBondContact O-N 3.04Å; L32-C36 PolarHBondContact O-SG 2.88Å; L32-R53 HydrophobicContact CD1-CG 4.48Å; L32-V56 HydrophobicContact CD1-CG1 4.46Å; L32-V56 HydrophobicContact CD2-CB 4.19Å; L32-V56 HydrophobicContact CD2-CG1 3.74Å
33K91.1Very high85.8Confident148 Ų14847.1 Ų47.164%0.64325%0.249SC*.Hα-helixtrans-65.1-40.8175.9-170.8177.9179.6-177.70111.7N29 A30 M31 C36 A37N29-K33 WeakPolarHBondContact O-CB 3.42Å; N29-K33 PolarHBondContact O-N 2.7Å; A30-K33 WeakPolarHBondContact O-CB 3.32Å; A30-K33 PolarHBondContact O-N 3.42Å; M31-K33 PolarHBondContact O-N 3.34Å; K33-C36 PolarHBondContact O-N 3.44Å; K33-A37 WeakPolarHBondContact O-CB 3.38Å; K33-A37 PolarHBondContact O-N 3.23Å
34E89.8Confident86.1Confident76 Ų7646.1 Ų46.136%0.35524%0.244SC..Hα-helixtrans-66.4-44.1176.3-167.1179.9172.700111.7A13 A30 M31 A37 A38A13-E34 WeakPolarHBondContact CA-OE2 3.01Å; A13-E34 HydrophobicContact CB-CB 3.98Å; A13-E34 HydrophobicContact CB-CG 3.88Å; A30-E34 PolarHBondContact O-N 2.93Å; M31-E34 PolarHBondContact O-N 3.26Å; M31-E34 VanDerWaalsContact O-N 3.12Å; E34-A37 PolarHBondContact O-N 3.17Å; E34-A38 PolarHBondContact O-N 3.34Å
35V87.9Confident86.3Confident0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-61.9-44.7174.5174.10000111.1I10 A13 M31 L32 A37 A38 L39I10-V35 HydrophobicContact CG1-CG1 4.41Å; I10-V35 HydrophobicContact CG2-CG2 4.24Å; A13-V35 HydrophobicContact CB-CG2 3.81Å; M31-V35 WeakPolarHBondContact O-CG2 3.48Å; M31-V35 PolarHBondContact O-N 2.82Å; M31-V35 HydrophobicContact SD-CG2 3.62Å; L32-V35 PolarHBondContact O-N 3.49Å; V35-A37 PolarHBondContact O-N 3.37Å; V35-A38 PolarHBondContact O-N 3.2Å; V35-L39 HydrophobicContact CG1-CD1 4.16Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 3.45Å
36C89.7Confident86.4Confident13 Ų1344.4 Ų44.49%0.08824%0.236CC..Hα-helixtrans-62.3-42.6176.4-70.30000111.7L32 K33 A38 L39 L40 V49L32-C36 VanDerWaalsContact O-CB 3.28Å; L32-C36 WeakPolarHBondContact O-CB 3.44Å; L32-C36 PolarHBondContact O-N 3.04Å; L32-C36 PolarHBondContact O-SG 2.88Å; K33-C36 PolarHBondContact O-N 3.44Å; C36-A38 VanDerWaalsContact C-N 3.33Å; C36-A38 PolarHBondContact O-N 3.45Å; C36-L39 PolarHBondContact O-N 3.03Å; C36-L40 WeakPolarHBondContact O-CB 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.26Å; C36-L40 WeakPolarHBondContact O-CG 3.28Å; C36-L40 PolarHBondContact O-N 3.41Å; C36-V49 HydrophobicContact CB-CG1 3.55Å
37A89.9Confident86.5Confident45 Ų4544.5 Ų44.537%0.37224%0.235SC..Hα-helixtrans-60.9-43.7176.500000111.2K33 E34 V35 L39 L40 E41K33-A37 WeakPolarHBondContact O-CB 3.38Å; K33-A37 PolarHBondContact O-N 3.23Å; E34-A37 PolarHBondContact O-N 3.17Å; V35-A37 PolarHBondContact O-N 3.37Å; A37-L39 PolarHBondContact O-N 2.93Å; A37-L40 PolarHBondContact O-N 2.95Å; A37-E41 WeakPolarHBondContact O-CB 3.49Å; A37-E41 WeakPolarHBondContact O-CG 3.45Å; A37-E41 PolarHBondContact O-N 3.43Å
38A87.6Confident86.6Confident4 Ų443.9 Ų43.93%0.03323%0.23CC..Hα-helixtrans-62.2-41.8176.500000112.4L6 K9 I10 E34 V35 C36 E41 A42L6-A38 HydrophobicContact CD1-CB 3.86Å; L6-A38 WeakPolarHBondContact CD1-O 3.31Å; K9-A38 HydrophobicContact CB-CB 3.79Å; K9-A38 HydrophobicContact CD-CB 4.3Å; I10-A38 HydrophobicContact CG1-CB 4.27Å; E34-A38 PolarHBondContact O-N 3.34Å; V35-A38 PolarHBondContact O-N 3.2Å; C36-A38 VanDerWaalsContact C-N 3.33Å; C36-A38 PolarHBondContact O-N 3.45Å; A38-E41 PolarHBondContact O-N 3.3Å; A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.49Å
39L85.8Confident86.8Confident2 Ų244 Ų441%0.0123%0.231CC..Hα-helixtrans-66.2-39.9176.2-69.1170.2000112.2L6 I10 V35 C36 A37 A42 D43 V44 V49 L52 L83L6-L39 HydrophobicContact CD1-CD2 4.32Å; L6-L39 HydrophobicContact CD2-CD2 4.45Å; I10-L39 HydrophobicContact CD1-CD2 4.33Å; V35-L39 HydrophobicContact CG1-CD1 4.16Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 3.45Å; C36-L39 PolarHBondContact O-N 3.03Å; A37-L39 PolarHBondContact O-N 2.93Å; L39-A42 CarbonylContact O-C 3.58Å; L39-A42 WeakPolarHBondContact O-CA 3.49Å; L39-A42 WeakPolarHBondContact O-CB 3.39Å; L39-A42 PolarHBondContact O-N 3.04Å; L39-A42 VanDerWaalsContact O-N 3.15Å; L39-D43 PolarHBondContact O-N 3.23Å; L39-V44 HydrophobicContact CB-CB 4.22Å; L39-V44 HydrophobicContact CB-CG2 4.12Å; L39-V44 HydrophobicContact CD2-CG2 4.08Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.4Å; L39-V44 WeakPolarHBondContact O-CG2 3.45Å; L39-V44 PolarHBondContact O-N 3.23Å; L39-V49 HydrophobicContact CB-CG2 3.78Å; L39-V49 HydrophobicContact CD1-CG2 4.44Å; L39-L52 HydrophobicContact CD1-CD1 4.43Å; L39-L52 HydrophobicContact CD1-CD2 4.35Å; L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.34Å
40L86.3Confident86.9Confident71 Ų7148.5 Ų48.537%0.37225%0.248SC..Hα-helixtrans-66.2-43.2176.1-71.6174.2000111.9C36 A37 A42 D43 I46 V49C36-L40 WeakPolarHBondContact O-CB 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.26Å; C36-L40 WeakPolarHBondContact O-CG 3.28Å; C36-L40 PolarHBondContact O-N 3.41Å; A37-L40 PolarHBondContact O-N 2.95Å; L40-A42 PolarHBondContact O-N 2.93Å; L40-D43 PolarHBondContact O-N 3.12Å; L40-I46 HydrophobicContact CD2-CB 4.23Å; L40-I46 HydrophobicContact CD2-CG1 3.61Å; L40-V49 HydrophobicContact CD2-CB 4.26Å; L40-V49 HydrophobicContact CD2-CG1 4.49Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.25Å; L40-V49 HydrophobicContact CG-CG2 4.32Å
41E84.4Confident87Confident101 Ų10150 Ų5047%0.47225%0.245SC..Hα-helixtrans-61-28.5172-75.1176.5163.800112K9 A37 A38 D43 K255K9-E41 WeakPolarHBondContact CD-OE2 3.45Å; K9-E41 VanDerWaalsContact NZ-CD 3.27Å; K9-E41 IonicContact NZ-OE1 3.97Å; K9-E41 PolarHBondContact NZ-OE1 3.44Å; K9-E41 IonicContact NZ-OE2 3.24Å; K9-E41 PolarHBondContact NZ-OE2 2.86Å; A37-E41 WeakPolarHBondContact O-CB 3.49Å; A37-E41 WeakPolarHBondContact O-CG 3.45Å; A37-E41 PolarHBondContact O-N 3.43Å; A38-E41 PolarHBondContact O-N 3.3Å; E41-D43 PolarHBondContact O-N 3.27Å; E41-K255 WeakPolarHBondContact O-CD 3.48Å; E41-K255 WeakPolarHBondContact O-CE 3.35Å; E41-K255 PolarHBondContact O-NZ 2.91Å
42A80.5Confident87Confident4 Ų449.9 Ų49.93%0.03325%0.245CC..THydrogen-bonded Turntrans-81.211.1173.700000114.1L6 A38 L39 L40 V44 K255 G257L6-A42 HydrophobicContact CD1-CB 3.97Å; L6-A42 HydrophobicContact CD2-CB 3.74Å; L6-A42 HydrophobicContact CG-CB 4.3Å; A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.49Å; L39-A42 CarbonylContact O-C 3.58Å; L39-A42 WeakPolarHBondContact O-CA 3.49Å; L39-A42 WeakPolarHBondContact O-CB 3.39Å; L39-A42 PolarHBondContact O-N 3.04Å; L39-A42 VanDerWaalsContact O-N 3.15Å; L40-A42 PolarHBondContact O-N 2.93Å; A42-V44 HydrophobicContact CB-CG2 4.41Å; A42-V44 PolarHBondContact O-N 3.14Å; A42-K255 HydrophobicContact CB-CB 4.07Å; A42-K255 VanDerWaalsContact O-CB 3.23Å; A42-K255 WeakPolarHBondContact O-CB 3.36Å; A42-G257 WeakPolarHBondContact O-CA 3.36Å; A42-G257 PolarHBondContact O-N 2.77Å
43D80.3Confident87Confident52 Ų5254.9 Ų54.928%0.27826%0.263SS..THydrogen-bonded Turntrans60.129.9-180-64-57.5000113.9L39 L40 E41 Q227 K255L39-D43 PolarHBondContact O-N 3.23Å; L40-D43 PolarHBondContact O-N 3.12Å; E41-D43 PolarHBondContact O-N 3.27Å; D43-Q227 PolarHBondContact O-NE2 2.65Å; D43-Q227 VanDerWaalsContact O-NE2 3.12Å; D43-K255 HydrophobicContact CB-CD 4.46Å; D43-K255 WeakPolarHBondContact OD2-CD 3.4Å; D43-K255 WeakPolarHBondContact OD2-CE 3.43Å; D43-K255 IonicContact OD2-NZ 3.55Å; D43-K255 PolarHBondContact OD2-NZ 3.27Å
44V83.1Confident87Confident1 Ų152.3 Ų52.31%0.00625%0.253CS..  trans-73143.2168.2-175.30000109.7L39 A42 I46 L48 V49 Q227 L260L39-V44 HydrophobicContact CB-CB 4.22Å; L39-V44 HydrophobicContact CB-CG2 4.12Å; L39-V44 HydrophobicContact CD2-CG2 4.08Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.4Å; L39-V44 WeakPolarHBondContact O-CG2 3.45Å; L39-V44 PolarHBondContact O-N 3.23Å; A42-V44 HydrophobicContact CB-CG2 4.41Å; A42-V44 PolarHBondContact O-N 3.14Å; V44-I46 PolarHBondContact O-N 2.98Å; V44-L48 HydrophobicContact CG1-CB 4.48Å; V44-V49 HydrophobicContact CB-CG2 3.94Å; V44-V49 HydrophobicContact CG1-CG2 3.77Å; V44-Q227 VanDerWaalsContact C-NE2 3.33Å; V44-Q227 PolarHBondContact O-NE2 3.06Å; V44-L260 HydrophobicContact CG1-CD1 3.96Å; V44-L260 HydrophobicContact CG2-CD1 3.79Å
45N83.7Confident86.9Confident11 Ų1150.3 Ų50.36%0.05925%0.245CC..  trans-57.8129.9-179.1-167.5-63.8000112.8K47 L48 V49 E230N45-K47 PolarHBondContact O-N 3.28Å; N45-K47 VanDerWaalsContact OD1-CB 3.31Å; N45-K47 WeakPolarHBondContact OD1-CB 3.28Å; N45-K47 PolarHBondContact OD1-N 2.89Å; N45-L48 HydrophobicContact CB-CB 4.28Å; N45-L48 HydrophobicContact CB-CD1 3.88Å; N45-L48 HydrophobicContact CB-CG 3.95Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 2.93Å; N45-V49 WeakPolarHBondContact O-CG2 3.26Å; N45-V49 PolarHBondContact O-N 3.03Å; N45-E230 PolarHBondContact ND2-OE2 2.94Å
46I86.3Confident86.9Confident112 Ų11250.3 Ų50.357%0.57425%0.245SC*.Hα-helixtrans-55.3-38.6-178.2-61.6166.5000111.8L40 V44 V49 K50L40-I46 HydrophobicContact CD2-CB 4.23Å; L40-I46 HydrophobicContact CD2-CG1 3.61Å; V44-I46 PolarHBondContact O-N 2.98Å; I46-V49 PolarHBondContact O-N 3.34Å; I46-K50 WeakPolarHBondContact O-CB 3.37Å; I46-K50 PolarHBondContact O-N 3.21Å
47K87Confident86.8Confident151 Ų15154.1 Ų54.166%0.65726%0.26SS*.Hα-helixtrans-65.1-41.5179-60.9176.8-177.2171.10111.2N45 K50 Q51N45-K47 PolarHBondContact O-N 3.28Å; N45-K47 VanDerWaalsContact OD1-CB 3.31Å; N45-K47 WeakPolarHBondContact OD1-CB 3.28Å; N45-K47 PolarHBondContact OD1-N 2.89Å; K47-K50 PolarHBondContact O-N 3.05Å; K47-Q51 WeakPolarHBondContact O-CB 3.33Å; K47-Q51 PolarHBondContact O-N 3.16Å
48L86.4Confident86.6Confident27 Ų2756.6 Ų56.614%0.14128%0.275CS..Hα-helixtrans-67.6-40.8177.4-62.7177.3000111.5V44 N45 Q51 L52 L86 A264V44-L48 HydrophobicContact CG1-CB 4.48Å; N45-L48 HydrophobicContact CB-CB 4.28Å; N45-L48 HydrophobicContact CB-CD1 3.88Å; N45-L48 HydrophobicContact CB-CG 3.95Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 2.93Å; L48-Q51 PolarHBondContact O-N 3.48Å; L48-L52 WeakPolarHBondContact O-CB 3.3Å; L48-L52 PolarHBondContact O-N 3.27Å; L48-L86 HydrophobicContact CD2-CD2 4.46Å; L48-A264 HydrophobicContact CD1-CB 3.8Å; L48-A264 HydrophobicContact CD2-CB 3.86Å; L48-A264 HydrophobicContact CG-CB 4.48Å
49V89.3Confident86.2Confident6 Ų659.5 Ų59.54%0.03630%0.299CS..Hα-helixtrans-63.6-431761780000111.1C36 L39 L40 V44 N45 I46 L52 R53C36-V49 HydrophobicContact CB-CG1 3.55Å; L39-V49 HydrophobicContact CB-CG2 3.78Å; L39-V49 HydrophobicContact CD1-CG2 4.44Å; L40-V49 HydrophobicContact CD2-CB 4.26Å; L40-V49 HydrophobicContact CD2-CG1 4.49Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.25Å; L40-V49 HydrophobicContact CG-CG2 4.32Å; V44-V49 HydrophobicContact CB-CG2 3.94Å; V44-V49 HydrophobicContact CG1-CG2 3.77Å; N45-V49 WeakPolarHBondContact O-CG2 3.26Å; N45-V49 PolarHBondContact O-N 3.03Å; I46-V49 PolarHBondContact O-N 3.34Å; V49-L52 PolarHBondContact O-N 2.92Å; V49-R53 PolarHBondContact O-N 3.4Å
50K90.3Very high86Confident131 Ų13160.1 Ų60.157%0.5730%0.302SS*.Hα-helixtrans-62.6-46.1175.8-174.5178.7172.8-175.30111.4I46 K47 L52 R53 E54I46-K50 WeakPolarHBondContact O-CB 3.37Å; I46-K50 PolarHBondContact O-N 3.21Å; K47-K50 PolarHBondContact O-N 3.05Å; K50-L52 VanDerWaalsContact C-N 3.34Å; K50-L52 PolarHBondContact O-N 3.13Å; K50-R53 WeakPolarHBondContact O-CB 3.48Å; K50-R53 PolarHBondContact O-N 3.38Å; K50-E54 WeakPolarHBondContact CE-OE1 3.38Å; K50-E54 IonicContact NZ-OE1 2.7Å; K50-E54 PolarHBondContact O-N 3.39Å
51Q88.7Confident85.3Confident92 Ų9260.7 Ų60.743%0.4331%0.306SS..Hα-helixtrans-60.6-43.2177.4-171.565.553.100111.8K47 L48 R53 E54 N55K47-Q51 WeakPolarHBondContact O-CB 3.33Å; K47-Q51 PolarHBondContact O-N 3.16Å; L48-Q51 PolarHBondContact O-N 3.48Å; Q51-R53 VanDerWaalsContact C-N 3.33Å; Q51-R53 PolarHBondContact O-N 3.48Å; Q51-E54 PolarHBondContact O-N 2.85Å; Q51-N55 PolarHBondContact NE2-OD1 3.29Å; Q51-N55 WeakPolarHBondContact O-CB 3.4Å; Q51-N55 PolarHBondContact O-N 3.39Å; Q51-N55 PolarHBondContact O-OD1 3.03Å
52L89.2Confident84.5Confident1 Ų157.7 Ų57.71%0.00529%0.293CS..Hα-helixtrans-59.5-44.9175.8175.2142.9000111.2L39 L48 V49 K50 E54 N55 V56 E82 L83 L86L39-L52 HydrophobicContact CD1-CD1 4.43Å; L39-L52 HydrophobicContact CD1-CD2 4.35Å; L48-L52 WeakPolarHBondContact O-CB 3.3Å; L48-L52 PolarHBondContact O-N 3.27Å; V49-L52 PolarHBondContact O-N 2.92Å; K50-L52 VanDerWaalsContact C-N 3.34Å; K50-L52 PolarHBondContact O-N 3.13Å; L52-E54 PolarHBondContact O-N 3.38Å; L52-N55 PolarHBondContact O-N 2.88Å; L52-V56 HydrophobicContact CD2-CG2 4.39Å; L52-V56 HydrophobicContact CG-CG2 4.34Å; L52-V56 WeakPolarHBondContact O-CB 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.31Å; L52-V56 PolarHBondContact O-N 3.28Å; L52-E82 HydrophobicContact CB-CG 4.46Å; L52-E82 HydrophobicContact CD1-CB 4.48Å; L52-E82 HydrophobicContact CD1-CG 4.25Å; L52-E82 HydrophobicContact CG-CG 4Å; L52-L83 HydrophobicContact CD1-CD2 3.67Å; L52-L83 HydrophobicContact CD1-CG 4.12Å; L52-L86 HydrophobicContact CB-CD1 4.13Å; L52-L86 HydrophobicContact CD1-CD1 3.41Å; L52-L86 VanDerWaalsContact CD1-CD1 3.41Å; L52-L86 HydrophobicContact CD1-CG 4.25Å; L52-L86 HydrophobicContact CG-CD1 4.39Å
53R90.3Very high83.7Confident104 Ų10466.3 Ų66.339%0.39233%0.332SS..Hα-helixtrans-60.5-45.5178.5-176.5-179.9175.1-172.2-2.7111.9L32 V49 K50 Q51 K57L32-R53 HydrophobicContact CD1-CG 4.48Å; V49-R53 PolarHBondContact O-N 3.4Å; K50-R53 WeakPolarHBondContact O-CB 3.48Å; K50-R53 PolarHBondContact O-N 3.38Å; Q51-R53 VanDerWaalsContact C-N 3.33Å; Q51-R53 PolarHBondContact O-N 3.48Å; R53-K57 WeakPolarHBondContact O-CB 3.47Å; R53-K57 PolarHBondContact O-N 2.94Å
54E90.4Very high82.8Confident94 Ų9471.9 Ų71.944%0.43936%0.357SS..Hα-helixtrans-65.5-45179.2-72173.9-176.500111.2K50 Q51 L52 K57 S58K50-E54 WeakPolarHBondContact CE-OE1 3.38Å; K50-E54 IonicContact NZ-OE1 2.7Å; K50-E54 PolarHBondContact O-N 3.39Å; Q51-E54 PolarHBondContact O-N 2.85Å; L52-E54 PolarHBondContact O-N 3.38Å; E54-K57 PolarHBondContact O-N 3.11Å; E54-S58 WeakPolarHBondContact O-CB 3.38Å; E54-S58 PolarHBondContact O-N 3.37Å; E54-S58 PolarHBondContact O-OG 2.98Å
55N88.4Confident81.7Confident35 Ų3572.7 Ų72.719%0.18736%0.361CS..Hα-helixtrans-62.7-46.3178.4-70.1-5.9000111.7Q51 L52 K57 S58 A59 E82Q51-N55 PolarHBondContact NE2-OD1 3.29Å; Q51-N55 WeakPolarHBondContact O-CB 3.4Å; Q51-N55 PolarHBondContact O-N 3.39Å; Q51-N55 PolarHBondContact O-OD1 3.03Å; L52-N55 PolarHBondContact O-N 2.88Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.16Å; N55-S58 WeakPolarHBondContact CA-OG 3.26Å; N55-S58 PolarHBondContact O-N 2.9Å; N55-S58 PolarHBondContact O-OG 3.05Å; N55-A59 VanDerWaalsContact O-CB 3.31Å; N55-A59 WeakPolarHBondContact O-CB 3.47Å; N55-A59 PolarHBondContact O-N 3.42Å; N55-E82 HydrophobicContact CB-CG 4.03Å; N55-E82 VanDerWaalsContact CB-OE1 3.31Å; N55-E82 WeakPolarHBondContact CB-OE1 3.45Å; N55-E82 PolarHBondContact ND2-OE1 2.89Å
56V87.9Confident80.3Confident0 Ų075 Ų750%038%0.381CS..Hα-helixtrans-63.5-40.9177176.10000111.1L32 L52 S58 A59 I60 V79 E82L32-V56 HydrophobicContact CD1-CG1 4.46Å; L32-V56 HydrophobicContact CD2-CB 4.19Å; L32-V56 HydrophobicContact CD2-CG1 3.74Å; L52-V56 HydrophobicContact CD2-CG2 4.39Å; L52-V56 HydrophobicContact CG-CG2 4.34Å; L52-V56 WeakPolarHBondContact O-CB 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.31Å; L52-V56 PolarHBondContact O-N 3.28Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 2.93Å; V56-A59 PolarHBondContact O-N 2.99Å; V56-I60 HydrophobicContact CG1-CD1 3.54Å; V56-I60 WeakPolarHBondContact O-CD1 3.43Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.4Å; V56-V79 HydrophobicContact CG1-CG2 4.04Å; V56-E82 HydrophobicContact CG2-CB 3.76Å; V56-E82 HydrophobicContact CG2-CG 3.98Å
57K86.1Confident79.1Confident92 Ų9274.4 Ų74.440%0.439%0.387SS..Hα-helixtrans-64.1-39.6177-169.4174-176.7174.70111.8E25 R53 E54 N55E25-K57 WeakPolarHBondContact OE1-CE 3.48Å; E25-K57 IonicContact OE1-NZ 2.73Å; E25-K57 PolarHBondContact OE1-NZ 3.41Å; R53-K57 WeakPolarHBondContact O-CB 3.47Å; R53-K57 PolarHBondContact O-N 2.94Å; E54-K57 PolarHBondContact O-N 3.11Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.16Å
58S85.6Confident77.8Confident98 Ų9869.3 Ų69.369%0.68538%0.377SS*.Hα-helixtrans-71.7-27.5177.669.30000113.8E54 N55 V56 I60E54-S58 WeakPolarHBondContact O-CB 3.38Å; E54-S58 PolarHBondContact O-N 3.37Å; E54-S58 PolarHBondContact O-OG 2.98Å; N55-S58 WeakPolarHBondContact CA-OG 3.26Å; N55-S58 PolarHBondContact O-N 2.9Å; N55-S58 PolarHBondContact O-OG 3.05Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 2.93Å; S58-I60 VanDerWaalsContact C-N 3.35Å
59A80.9Confident76.5Confident65 Ų6574.9 Ų74.954%0.53741%0.406SS..Hα-helixtrans-85-7.9-177.700000113.6N55 V56N55-A59 VanDerWaalsContact O-CB 3.31Å; N55-A59 WeakPolarHBondContact O-CB 3.47Å; N55-A59 PolarHBondContact O-N 3.42Å; V56-A59 PolarHBondContact O-N 2.99Å
60I80.2Confident75.3Confident15 Ų1579.1 Ų79.18%0.07743%0.429CS..  trans-113.3104.4-177.9-63166.2000108.1L28 V56 S58 L62 M65 I75L28-I60 HydrophobicContact CD1-CD1 3.99Å; L28-I60 HydrophobicContact CD2-CB 4.49Å; L28-I60 HydrophobicContact CD2-CD1 4.31Å; L28-I60 HydrophobicContact CD2-CG2 4.11Å; V56-I60 HydrophobicContact CG1-CD1 3.54Å; V56-I60 WeakPolarHBondContact O-CD1 3.43Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.4Å; S58-I60 VanDerWaalsContact C-N 3.35Å; I60-L62 HydrophobicContact CG2-CD2 3.96Å; I60-L62 HydrophobicContact CG2-CG 4.28Å; I60-M65 HydrophobicContact CG2-SD 3.82Å; I60-I75 HydrophobicContact CD1-CB 4.43Å; I60-I75 HydrophobicContact CD1-CG1 4.08Å; I60-I75 HydrophobicContact CD1-CG2 4.16Å; I60-I75 HydrophobicContact CG2-CG1 4.35Å
61D72.3Confident74.6Confident82 Ų8275 Ų7544%0.43941%0.411SS..  trans-91.7109.8166.8-167.7-31000109.4E63 E64 M65D61-E63 PolarHBondContact O-N 2.97Å; D61-E63 PolarHBondContact OD1-N 3Å; D61-E64 HydrophobicContact CB-CB 4.3Å; D61-E64 PolarHBondContact OD1-N 3.5Å; D61-M65 WeakPolarHBondContact O-CG 3.48Å
62L67.8Low74Confident38 Ų3873.9 Ų73.920%0.19940%0.403CS..THydrogen-bonded Turntrans-71.2-20.2-176-70171.6000113.2E25 L28 I60 K71E25-L62 HydrophobicContact CB-CD1 4Å; E25-L62 HydrophobicContact CG-CD1 4.15Å; L28-L62 HydrophobicContact CD2-CD1 4.43Å; I60-L62 HydrophobicContact CG2-CD2 3.96Å; I60-L62 HydrophobicContact CG2-CG 4.28Å; L62-K71 PolarHBondContact O-NZ 3.48Å
63E62.7Low73.4Confident185 Ų18582.9 Ų82.986%0.86444%0.437SS*.THydrogen-bonded Turntrans-85.2-37.4-176-62.6-170.9170.400111.8D61D61-E63 PolarHBondContact O-N 2.97Å; D61-E63 PolarHBondContact OD1-N 3Å
64E62.2Low72.8Confident170 Ų17082.2 Ų82.279%0.79444%0.439SS*.THydrogen-bonded Turntrans-79.7-17.5-179.4-116.7-171.8174.700114.3D61 A66D61-E64 HydrophobicContact CB-CB 4.3Å; D61-E64 PolarHBondContact OD1-N 3.5Å; E64-A66 PolarHBondContact O-N 2.9Å
65M59.9Low72.4Confident18 Ų1877.7 Ų77.79%0.08942%0.418CS..  trans-75.6128.1-172.3-68.616686.800112.9I60 D61 K71 M74 I75I60-M65 HydrophobicContact CG2-SD 3.82Å; D61-M65 WeakPolarHBondContact O-CG 3.48Å; M65-K71 HydrophobicContact CB-CD 4.13Å; M65-K71 HydrophobicContact CB-CG 3.92Å; M65-K71 HydrophobicContact CE-CB 4.19Å; M65-K71 HydrophobicContact CE-CG 4.48Å; M65-K71 WeakPolarHBondContact O-CE 3.46Å; M65-K71 PolarHBondContact O-NZ 2.61Å; M65-M74 HydrophobicContact CE-CB 3.47Å; M65-M74 VanDerWaalsContact CE-CB 3.47Å; M65-M74 HydrophobicContact CE-CE 4.44Å; M65-M74 HydrophobicContact CE-CG 3.61Å; M65-M74 HydrophobicContact CE-SD 3.28Å; M65-M74 WeakPolarHBondContact CE-SD 3.45Å; M65-M74 HydrophobicContact CG-CE 4.45Å; M65-M74 HydrophobicContact CG-SD 3.7Å; M65-M74 HydrophobicContact SD-SD 4.06Å; M65-I75 HydrophobicContact CE-CG1 4.22Å
66A55.5Low72Confident58 Ų5879.2 Ų79.248%0.47942%0.424SS..  trans-59.8160.3173.300000113.3E64 K71E64-A66 PolarHBondContact O-N 2.9Å; A66-K71 WeakPolarHBondContact O-CG 3.5Å
67S60.9Low71.7Confident101 Ų10184.8 Ų84.871%0.70645%0.45SS*.SBendtrans-42.4154.5-168.163.10000117.7L69 N70S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.18Å; S67-N70 PolarHBondContact O-N 3.34Å
68G58Low71.7Confident43 Ų4381.4 Ų81.444%0.44344%0.438SS..Hα-helixtrans-48.5-21.1-152.100000121.1
69L59.2Low71.7Confident144 Ų14476.8 Ų76.875%0.75441%0.405SS*.Hα-helixtrans-74.4-35.7172.9-85.8161.1000112.2S67S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.18Å
70N65.3Low71.9Confident96 Ų9675.3 Ų75.351%0.51339%0.387SS..Hα-helixtrans-72.1-33.6175.8-90.4-16.9000112S67 R72 M74S67-N70 PolarHBondContact O-N 3.34Å; N70-R72 PolarHBondContact O-N 2.92Å; N70-M74 VanDerWaalsContact O-CB 3.28Å; N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.3Å
71K74.6Confident72.2Confident45 Ų4581.4 Ų81.420%0.19641%0.412CS..Hα-helixtrans-58.8-46.6178.7-59.8-156.9176-162.90112.6I23 L62 M65 A66 M74 I75I23-K71 HydrophobicContact CD1-CB 4.06Å; L62-K71 PolarHBondContact O-NZ 3.48Å; M65-K71 HydrophobicContact CB-CD 4.13Å; M65-K71 HydrophobicContact CB-CG 3.92Å; M65-K71 HydrophobicContact CE-CB 4.19Å; M65-K71 HydrophobicContact CE-CG 4.48Å; M65-K71 WeakPolarHBondContact O-CE 3.46Å; M65-K71 PolarHBondContact O-NZ 2.61Å; A66-K71 WeakPolarHBondContact O-CG 3.5Å; K71-M74 PolarHBondContact O-N 3.41Å; K71-I75 VanDerWaalsContact O-CG1 3.29Å; K71-I75 WeakPolarHBondContact O-CG1 3.44Å; K71-I75 PolarHBondContact O-N 3.48Å
72R76.2Confident73Confident67 Ų6778.4 Ų78.425%0.25340%0.396SS..Hα-helixtrans-61.1-50.7-178.7-65.4175.6179165.43.1112.5L17 S18 A20 I23 N70 M74 I75 Q76L17-R72 HydrophobicContact CD2-CB 4.17Å; L17-R72 HydrophobicContact CD2-CG 4.02Å; S18-R72 PolarHBondContact O-NH1 3.46Å; S18-R72 PolarHBondContact O-NH2 2.98Å; A20-R72 PolarHBondContact O-NH2 3.29Å; I23-R72 HydrophobicContact CD1-CB 4.44Å; I23-R72 HydrophobicContact CD1-CG 3.37Å; N70-R72 PolarHBondContact O-N 2.92Å; R72-M74 VanDerWaalsContact C-N 3.28Å; R72-M74 PolarHBondContact O-N 2.87Å; R72-I75 PolarHBondContact O-N 3.33Å; R72-Q76 WeakPolarHBondContact O-CG 3.36Å; R72-Q76 PolarHBondContact O-N 3.13Å
73R76.6Confident73.7Confident191 Ų19176.7 Ų76.772%0.72139%0.387SS*.Hα-helixtrans-64.8-37.2-178.1-169.3175.8-178.6175.70111H77R73-H77 VanDerWaalsContact O-CB 3.24Å; R73-H77 WeakPolarHBondContact O-CB 3.32Å; R73-H77 PolarHBondContact O-N 3.49Å
74M78.5Confident74.8Confident89 Ų8968.8 Ų68.844%0.43835%0.351SS..Hα-helixtrans-68.4-42177.4-170.7-177.9-64.300111.8M65 N70 K71 R72 Q76 H77 S78M65-M74 HydrophobicContact CE-CB 3.47Å; M65-M74 VanDerWaalsContact CE-CB 3.47Å; M65-M74 HydrophobicContact CE-CE 4.44Å; M65-M74 HydrophobicContact CE-CG 3.61Å; M65-M74 HydrophobicContact CE-SD 3.28Å; M65-M74 WeakPolarHBondContact CE-SD 3.45Å; M65-M74 HydrophobicContact CG-CE 4.45Å; M65-M74 HydrophobicContact CG-SD 3.7Å; M65-M74 HydrophobicContact SD-SD 4.06Å; N70-M74 VanDerWaalsContact O-CB 3.28Å; N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.3Å; K71-M74 PolarHBondContact O-N 3.41Å; R72-M74 VanDerWaalsContact C-N 3.28Å; R72-M74 PolarHBondContact O-N 2.87Å; M74-Q76 PolarHBondContact O-N 2.81Å; M74-H77 PolarHBondContact O-N 3.24Å; M74-S78 WeakPolarHBondContact O-CB 3.37Å; M74-S78 PolarHBondContact O-N 3.38Å; M74-S78 PolarHBondContact O-OG 2.88Å; M74-S78 VanDerWaalsContact O-OG 3.11Å
75I81.3Confident76Confident0 Ų067 Ų670%034%0.341CS..Hα-helixtrans-61.3-46.8174.6-65.7166.5000110.9L17 I23 L28 M31 I60 M65 K71 R72 H77 S78 V79L17-I75 HydrophobicContact CD1-CD1 4.17Å; L17-I75 HydrophobicContact CD1-CG2 4.04Å; L17-I75 HydrophobicContact CD2-CD1 4.19Å; I23-I75 HydrophobicContact CG2-CD1 3.79Å; L28-I75 HydrophobicContact CD1-CD1 4.41Å; L28-I75 HydrophobicContact CD1-CG2 3.97Å; M31-I75 HydrophobicContact CE-CG2 3.58Å; I60-I75 HydrophobicContact CD1-CB 4.43Å; I60-I75 HydrophobicContact CD1-CG1 4.08Å; I60-I75 HydrophobicContact CD1-CG2 4.16Å; I60-I75 HydrophobicContact CG2-CG1 4.35Å; M65-I75 HydrophobicContact CE-CG1 4.22Å; K71-I75 VanDerWaalsContact O-CG1 3.29Å; K71-I75 WeakPolarHBondContact O-CG1 3.44Å; K71-I75 PolarHBondContact O-N 3.48Å; R72-I75 PolarHBondContact O-N 3.33Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 2.89Å; I75-S78 PolarHBondContact O-N 2.93Å; I75-V79 WeakPolarHBondContact O-CG2 3.49Å; I75-V79 PolarHBondContact O-N 3.31Å
76Q80.2Confident77Confident67 Ų6767.3 Ų67.331%0.31334%0.343SS..Hα-helixtrans-58.4-43.6175.3-75.3176.2-900111.7L14 R72 M74 V79 F80L14-Q76 HydrophobicContact CD1-CG 4.39Å; L14-Q76 HydrophobicContact CD2-CG 4.05Å; R72-Q76 WeakPolarHBondContact O-CG 3.36Å; R72-Q76 PolarHBondContact O-N 3.13Å; M74-Q76 PolarHBondContact O-N 2.81Å; Q76-V79 PolarHBondContact O-N 3.3Å; Q76-F80 WeakPolarHBondContact O-CB 3.33Å; Q76-F80 PolarHBondContact O-N 3.43Å
77H83Confident78.2Confident117 Ų11764.7 Ų64.754%0.54232%0.321SS..Hα-helixtrans-65.8-39.4177.9-171.370.5000112.4R73 M74 I75 F80 K81R73-H77 VanDerWaalsContact O-CB 3.24Å; R73-H77 WeakPolarHBondContact O-CB 3.32Å; R73-H77 PolarHBondContact O-N 3.49Å; M74-H77 PolarHBondContact O-N 3.24Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 2.89Å; H77-F80 PolarHBondContact O-N 3.4Å; H77-K81 VanDerWaalsContact O-CB 3.3Å; H77-K81 WeakPolarHBondContact O-CB 3.39Å; H77-K81 PolarHBondContact O-N 3.5Å
78S85.4Confident79.2Confident21 Ų2163.6 Ų63.615%0.14731%0.307CS..Hα-helixtrans-64.5-43.9175.7-65.60000111.9M74 I75 K81 E82M74-S78 WeakPolarHBondContact O-CB 3.37Å; M74-S78 PolarHBondContact O-N 3.38Å; M74-S78 PolarHBondContact O-OG 2.88Å; M74-S78 VanDerWaalsContact O-OG 3.11Å; I75-S78 PolarHBondContact O-N 2.93Å; S78-K81 PolarHBondContact O-N 3.37Å; S78-E82 PolarHBondContact O-N 2.95Å
79V85.7Confident80.2Confident0 Ų063.2 Ų63.20%030%0.297CS..Hα-helixtrans-62.3-45.3174.3173.90000110.9M31 V56 I75 Q76 K81 E82 L83M31-V79 HydrophobicContact CE-CG2 4.23Å; V56-V79 HydrophobicContact CG1-CG2 4.04Å; I75-V79 WeakPolarHBondContact O-CG2 3.49Å; I75-V79 PolarHBondContact O-N 3.31Å; Q76-V79 PolarHBondContact O-N 3.3Å; V79-K81 PolarHBondContact O-N 3.12Å; V79-E82 PolarHBondContact O-N 2.89Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.44Å; V79-L83 WeakPolarHBondContact O-CB 3.43Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.01Å
80F84.8Confident81.1Confident34 Ų3459.6 Ų59.615%0.14929%0.294CS..Hα-helixtrans-57.2-49.6175.7178.2-84.4000111.6Q76 H77 E82 L83 V84 I291 L295 M297Q76-F80 WeakPolarHBondContact O-CB 3.33Å; Q76-F80 PolarHBondContact O-N 3.43Å; H77-F80 PolarHBondContact O-N 3.4Å; F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.42Å; F80-L83 PolarHBondContact O-N 3.38Å; F80-V84 HydrophobicContact CD1-CG2 4.01Å; F80-V84 HydrophobicContact CE1-CG2 3.57Å; F80-V84 HydrophobicContact CZ-CG2 3.87Å; F80-V84 WeakPolarHBondContact O-CG2 3.37Å; F80-V84 PolarHBondContact O-N 3.39Å; F80-I291 HydrophobicContact CD2-CG2 3.88Å; F80-I291 HydrophobicContact CE2-CB 4.26Å; F80-I291 HydrophobicContact CE2-CG2 3.8Å; F80-I291 HydrophobicContact CZ-CG2 4.45Å; F80-L295 HydrophobicContact CB-CD1 4.23Å; F80-L295 HydrophobicContact CD2-CD1 3.49Å; F80-L295 VanDerWaalsContact CD2-CD1 3.49Å; F80-L295 HydrophobicContact CE2-CD1 4.29Å; F80-L295 HydrophobicContact CG-CD1 4.31Å; F80-M297 HydrophobicContact CD2-SD 4.38Å
81K87Confident81.9Confident143 Ų14358.8 Ų58.862%0.62229%0.292SS*.Hα-helixtrans-61.5-41.1-178.7-173.3178.9-179.9-178.30111.6H77 S78 V79 V84 K85H77-K81 VanDerWaalsContact O-CB 3.3Å; H77-K81 WeakPolarHBondContact O-CB 3.39Å; H77-K81 PolarHBondContact O-N 3.5Å; S78-K81 PolarHBondContact O-N 3.37Å; V79-K81 PolarHBondContact O-N 3.12Å; K81-V84 PolarHBondContact O-N 3.49Å; K81-K85 WeakPolarHBondContact O-CB 3.09Å; K81-K85 PolarHBondContact O-N 3.34Å
82E87.8Confident82.2Confident19 Ų1966 Ų669%0.08932%0.324CS..Hα-helixtrans-71.9-36.5179.1-159.959.5-158.600112.1L52 N55 V56 S78 V79 F80 K85 L86L52-E82 HydrophobicContact CB-CG 4.46Å; L52-E82 HydrophobicContact CD1-CB 4.48Å; L52-E82 HydrophobicContact CD1-CG 4.25Å; L52-E82 HydrophobicContact CG-CG 4Å; N55-E82 HydrophobicContact CB-CG 4.03Å; N55-E82 VanDerWaalsContact CB-OE1 3.31Å; N55-E82 WeakPolarHBondContact CB-OE1 3.45Å; N55-E82 PolarHBondContact ND2-OE1 2.89Å; V56-E82 HydrophobicContact CG2-CB 3.76Å; V56-E82 HydrophobicContact CG2-CG 3.98Å; S78-E82 PolarHBondContact O-N 2.95Å; V79-E82 PolarHBondContact O-N 2.89Å; F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.42Å; E82-K85 PolarHBondContact O-N 3.48Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 3.47Å
83L84.1Confident82.6Confident3 Ų365 Ų652%0.01633%0.33CS..Hα-helixtrans-61.7-44.1170.9-74.7171.1000111.6L39 L52 V79 F80 K85 L86 V87 I291 L295L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.34Å; L52-L83 HydrophobicContact CD1-CD2 3.67Å; L52-L83 HydrophobicContact CD1-CG 4.12Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.44Å; V79-L83 WeakPolarHBondContact O-CB 3.43Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.01Å; F80-L83 PolarHBondContact O-N 3.38Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.21Å; L83-L86 PolarHBondContact O-N 3.16Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3Å; L83-I291 HydrophobicContact CB-CD1 4.39Å; L83-I291 HydrophobicContact CB-CG2 3.95Å; L83-I291 HydrophobicContact CD1-CG2 4.42Å; L83-L295 HydrophobicContact CD1-CD1 4.28Å; L83-L295 HydrophobicContact CD1-CD2 4.19Å
84V85.8Confident83.2Confident19 Ų1958.9 Ų58.912%0.11531%0.307CS..Hα-helixtrans-60.3-44.3174.4168.90000110.6F80 K81 L86 V87 D88 T287 Q288 I291F80-V84 HydrophobicContact CD1-CG2 4.01Å; F80-V84 HydrophobicContact CE1-CG2 3.57Å; F80-V84 HydrophobicContact CZ-CG2 3.87Å; F80-V84 WeakPolarHBondContact O-CG2 3.37Å; F80-V84 PolarHBondContact O-N 3.39Å; K81-V84 PolarHBondContact O-N 3.49Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.95Å; V84-V87 CarbonylContact O-C 3.6Å; V84-V87 PolarHBondContact O-N 2.88Å; V84-D88 HydrophobicContact CG1-CB 4.44Å; V84-D88 WeakPolarHBondContact O-CB 3.46Å; V84-D88 PolarHBondContact O-N 3.25Å; V84-T287 HydrophobicContact CB-CG2 4.5Å; V84-T287 HydrophobicContact CG1-CG2 3.99Å; V84-Q288 HydrophobicContact CG2-CG 4.47Å; V84-I291 HydrophobicContact CG2-CB 4.12Å; V84-I291 HydrophobicContact CG2-CG1 4.11Å; V84-I291 HydrophobicContact CG2-CG2 4.17Å
85K85.4Confident83.7Confident132 Ų13259.6 Ų59.657%0.57432%0.317SS*.Hα-helixtrans-63.5-29179.5-169.8-178.2176.3-168.60113.6K81 E82 L83 V87K81-K85 WeakPolarHBondContact O-CB 3.09Å; K81-K85 PolarHBondContact O-N 3.34Å; E82-K85 PolarHBondContact O-N 3.48Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.21Å; K85-V87 VanDerWaalsContact C-N 3.29Å
86L81.1Confident84.2Confident25 Ų2560.8 Ų60.813%0.13132%0.324CS..Hα-helixtrans-69-29.2172.8-73-177.5000113L48 L52 E82 L83 V84L48-L86 HydrophobicContact CD2-CD2 4.46Å; L52-L86 HydrophobicContact CB-CD1 4.13Å; L52-L86 HydrophobicContact CD1-CD1 3.41Å; L52-L86 VanDerWaalsContact CD1-CD1 3.41Å; L52-L86 HydrophobicContact CD1-CG 4.25Å; L52-L86 HydrophobicContact CG-CD1 4.39Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 3.47Å; L83-L86 PolarHBondContact O-N 3.16Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.95Å
87V80.8Confident84.8Confident2 Ų260.9 Ų60.91%0.01233%0.33CS..Hα-helixtrans-99.9-22.4-173.6-167.30000111.8L83 V84 K85 P89 L260 V263 I270 F285 T287 I291L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3Å; V84-V87 CarbonylContact O-C 3.6Å; V84-V87 PolarHBondContact O-N 2.88Å; K85-V87 VanDerWaalsContact C-N 3.29Å; V87-P89 WeakPolarHBondContact O-CD 3.26Å; V87-L260 HydrophobicContact CB-CD2 4.06Å; V87-L260 HydrophobicContact CG1-CD2 4.31Å; V87-L260 HydrophobicContact CG2-CD2 3.13Å; V87-V263 WeakPolarHBondContact O-CG1 3.27Å; V87-I270 HydrophobicContact CG1-CD1 4.34Å; V87-F285 HydrophobicContact CG1-CE1 3.9Å; V87-F285 HydrophobicContact CG1-CZ 3.66Å; V87-T287 HydrophobicContact CB-CG2 3.61Å; V87-T287 HydrophobicContact CG1-CG2 3.8Å; V87-T287 HydrophobicContact CG2-CG2 4.38Å; V87-I291 HydrophobicContact CG2-CD1 3.77Å; V87-I291 HydrophobicContact CG2-CG1 4.2Å
88D82.8Confident85.1Confident78 Ų7860.1 Ų60.142%0.41733%0.325SS..  trans-96.1110.6-179.4-169.6-6.1000110.3V84 G90 T287V84-D88 HydrophobicContact CG1-CB 4.44Å; V84-D88 WeakPolarHBondContact O-CB 3.46Å; V84-D88 PolarHBondContact O-N 3.25Å; D88-G90 PolarHBondContact O-N 3.32Å; D88-G90 PolarHBondContact OD1-N 2.86Å; D88-T287 HydrophobicContact CB-CG2 4.32Å
89P78.6Confident85.1Confident35 Ų3562.4 Ų62.423%0.22735%0.352CS..  trans-75.2-6.4175.831-33000113.1V87 V91 V263 K267 P269V87-P89 WeakPolarHBondContact O-CD 3.26Å; P89-V91 HydrophobicContact CB-CG2 4.38Å; P89-V91 HydrophobicContact CG-CB 4.35Å; P89-V91 PolarHBondContact O-N 3.34Å; P89-V263 HydrophobicContact CB-CG1 4.08Å; P89-V263 HydrophobicContact CG-CG1 4.16Å; P89-K267 WeakPolarHBondContact CB-O 3.21Å; P89-P269 HydrophobicContact CG-CB 3.93Å
90G79.1Confident85.4Confident68 Ų6869 Ų6970%0.70138%0.38SS*.SBendtrans72.48.7-17400000113.7D88D88-G90 PolarHBondContact O-N 3.32Å; D88-G90 PolarHBondContact OD1-N 2.86Å
91V81.1Confident85.8Confident79 Ų7970.2 Ų70.248%0.47939%0.389SS..PPolyproline II helixtrans-102.3130.4179.3-179.60000108.7P89 A93P89-V91 HydrophobicContact CB-CG2 4.38Å; P89-V91 HydrophobicContact CG-CB 4.35Å; P89-V91 PolarHBondContact O-N 3.34Å; V91-A93 PolarHBondContact O-N 2.89Å
92K81.8Confident86.3Confident197 Ų19763.7 Ų63.786%0.85736%0.361SS*.PPolyproline II helixtrans-66.1134175.5-72.2-174.4178.8-179.90109.8
93A84.7Confident86.7Confident47 Ų4762.9 Ų62.939%0.38836%0.357SS..PPolyproline II helixtrans-56.3140171.500000110.8V91 T95 P269 I271V91-A93 PolarHBondContact O-N 2.89Å; A93-T95 PolarHBondContact O-N 2.82Å; A93-P269 HydrophobicContact CB-CG 4.25Å; A93-I271 HydrophobicContact CB-CG2 3.72Å
94W88.4Confident87.3Confident61 Ų6162.8 Ų62.823%0.23136%0.356CS..PPolyproline II helixtrans-60.8136.6170.8176.495.3000110P96 N102 L104 D215 N216W94-P96 HydrophobicContact CH2-CB 3.58Å; W94-P96 HydrophobicContact CH2-CG 4.42Å; W94-P96 HydrophobicContact CZ2-CB 4.33Å; W94-P96 HydrophobicContact CZ3-CB 3.87Å; W94-P96 HydrophobicContact CZ3-CG 4.22Å; W94-N102 HydrophobicContact CH2-CB 3.69Å; W94-N102 HydrophobicContact CZ2-CB 3.82Å; W94-L104 HydrophobicContact CH2-CD1 3.84Å; W94-L104 HydrophobicContact CH2-CD2 4.33Å; W94-L104 HydrophobicContact CH2-CG 4.11Å; W94-L104 HydrophobicContact CZ3-CD1 4.21Å; W94-L104 HydrophobicContact CZ3-CD2 3.88Å; W94-L104 HydrophobicContact CZ3-CG 4.15Å; W94-D215 HydrophobicContact CZ2-CB 3.9Å; W94-D215 PolarHBondContact NE1-O 3.01Å; W94-N216 HydrophobicContact CB-CB 4.44Å; W94-N216 HydrophobicContact CD2-CB 3.68Å; W94-N216 HydrophobicContact CE3-CB 3.99Å; W94-N216 HydrophobicContact CG-CB 3.9Å; W94-N216 HydrophobicContact CZ2-CB 4.42Å; W94-N216 HydrophobicContact CZ3-CB 4.47Å
95T88.9Confident87.8Confident105 Ų10562 Ų6264%0.64435%0.351SS*.  trans-123131.4178.953.70000109.8A93A93-T95 PolarHBondContact O-N 2.82Å
96P92.5Very high88.4Confident24 Ų2455.7 Ų55.716%0.15632%0.324CS..PPolyproline II helixtrans-66.1147177.527.3-33.6000111.2W94 N102 Y125 W130 I186W94-P96 HydrophobicContact CH2-CB 3.58Å; W94-P96 HydrophobicContact CH2-CG 4.42Å; W94-P96 HydrophobicContact CZ2-CB 4.33Å; W94-P96 HydrophobicContact CZ3-CB 3.87Å; W94-P96 HydrophobicContact CZ3-CG 4.22Å; P96-N102 WeakPolarHBondContact CA-OD1 3.38Å; P96-N102 HydrophobicContact CB-CB 4.36Å; P96-Y125 HydrophobicContact CG-CD1 4.49Å; P96-Y125 HydrophobicContact CG-CE1 3.7Å; P96-W130 HydrophobicContact CB-CH2 3.73Å; P96-W130 HydrophobicContact CB-CZ2 4.34Å; P96-W130 HydrophobicContact CB-CZ3 3.94Å; P96-W130 HydrophobicContact CG-CH2 3.85Å; P96-W130 HydrophobicContact CG-CZ2 3.95Å; P96-W130 HydrophobicContact CG-CZ3 4.4Å; P96-I186 HydrophobicContact CB-CD1 3.58Å; P96-I186 HydrophobicContact CG-CD1 4.16Å
97T92.7Very high89Confident70 Ų7054.5 Ų54.543%0.42932%0.318SS..PPolyproline II helixtrans-99.6124.8175.6-56.60000110.3K100 N102T97-K100 HydrophobicContact CG2-CD 3.95Å; T97-K100 HydrophobicContact CG2-CG 4.19Å; T97-K100 PolarHBondContact O-N 3.28Å; T97-N102 PolarHBondContact N-OD1 3.31Å; T97-N102 PolarHBondContact O-ND2 3.36Å
98K88.8Confident89.5Confident101 Ų10154.4 Ų54.444%0.43932%0.317SS..THydrogen-bonded Turntrans-63.5143.4176.7-91.4-65.8-173.8177.20111.3K100 G129 W130 E185K98-K100 PolarHBondContact O-N 3.08Å; K98-G129 PolarHBondContact NZ-O 3.07Å; K98-W130 HydrophobicContact CB-CH2 4.09Å; K98-W130 HydrophobicContact CB-CZ3 4.34Å; K98-W130 HydrophobicContact CD-CD2 3.96Å; K98-W130 HydrophobicContact CD-CE3 3.75Å; K98-W130 HydrophobicContact CD-CH2 3.71Å; K98-W130 HydrophobicContact CD-CZ2 3.88Å; K98-W130 HydrophobicContact CD-CZ3 3.64Å; K98-W130 VanDerWaalsContact CE-CD2 3.47Å; K98-W130 VanDerWaalsContact CE-CE2 3.42Å; K98-W130 HydrophobicContact CG-CE3 4.45Å; K98-W130 HydrophobicContact CG-CH2 3.47Å; K98-W130 VanDerWaalsContact CG-CH2 3.47Å; K98-W130 HydrophobicContact CG-CZ2 3.68Å; K98-W130 HydrophobicContact CG-CZ3 3.88Å; K98-E185 VanDerWaalsContact CD-OE1 3.24Å; K98-E185 WeakPolarHBondContact CD-OE1 3.22Å; K98-E185 IonicContact NZ-OE1 3.88Å; K98-E185 IonicContact NZ-OE2 3.43Å; K98-E185 PolarHBondContact NZ-OE2 3.47Å
99G84.9Confident89.8Confident69 Ų6952.2 Ų52.271%0.71131%0.305SS*.THydrogen-bonded Turntrans72.45.318000000115.4E185G99-E185 PolarHBondContact N-OE1 2.91Å
100K92.4Very high90.2Very high137 Ų13758.1 Ų58.160%0.59633%0.33SS*.SBendtrans-116.5154.8169.9-66.5-171.7178.8-177.40110T97 K98 N102 E185T97-K100 HydrophobicContact CG2-CD 3.95Å; T97-K100 HydrophobicContact CG2-CG 4.19Å; T97-K100 PolarHBondContact O-N 3.28Å; K98-K100 PolarHBondContact O-N 3.08Å; K100-N102 PolarHBondContact O-N 2.96Å; K100-N102 PolarHBondContact O-ND2 3.44Å; K100-E185 WeakPolarHBondContact O-CA 3.47Å
101N93.7Very high90.7Very high61 Ų6157.4 Ų57.433%0.32632%0.322SS..  trans-75.3116.7168.7-48.4100.7000108K180 F184 I187N101-K180 HydrophobicContact CB-CG 4.02Å; N101-F184 PolarHBondContact ND2-O 2.76Å; N101-I187 HydrophobicContact CB-CD1 4.28Å
102N96.6Very high91.1Very high6 Ų653.8 Ų53.83%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-105.7118.4174.8-53.1-95.9000108.1W94 P96 T97 K100 L104 E185 I186 I187 D215W94-N102 HydrophobicContact CH2-CB 3.69Å; W94-N102 HydrophobicContact CZ2-CB 3.82Å; P96-N102 WeakPolarHBondContact CA-OD1 3.38Å; P96-N102 HydrophobicContact CB-CB 4.36Å; T97-N102 PolarHBondContact N-OD1 3.31Å; T97-N102 PolarHBondContact O-ND2 3.36Å; K100-N102 PolarHBondContact O-N 2.96Å; K100-N102 PolarHBondContact O-ND2 3.44Å; N102-L104 HydrophobicContact CB-CD1 4.38Å; N102-E185 WeakPolarHBondContact CA-O 3.39Å; N102-E185 VanDerWaalsContact CB-O 3.29Å; N102-E185 WeakPolarHBondContact CB-O 3.46Å; N102-E185 PolarHBondContact N-O 3.29Å; N102-E185 PolarHBondContact ND2-O 3.48Å; N102-I186 HydrophobicContact CB-CD1 4.14Å; N102-I187 PolarHBondContact O-N 3.01Å; N102-D215 WeakPolarHBondContact CA-OD2 3.42Å
103V96.9Very high91.6Very high2 Ų245.3 Ų45.31%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-104.6119.8-176.7-172.20000110V176 I187 V189 V212 P214 D215 N216V103-V176 HydrophobicContact CG1-CG2 4.23Å; V103-V176 HydrophobicContact CG2-CG1 4.15Å; V103-I187 CarbonylContact C-O 3.46Å; V103-I187 WeakPolarHBondContact CA-O 3.36Å; V103-I187 HydrophobicContact CG2-CB 4.34Å; V103-I187 HydrophobicContact CG2-CD1 4.27Å; V103-V189 HydrophobicContact CG1-CG2 4.39Å; V103-V212 HydrophobicContact CG1-CG1 3.36Å; V103-P214 HydrophobicContact CG1-CB 4.44Å; V103-P214 CarbonylContact O-C 3.46Å; V103-D215 PolarHBondContact N-OD2 3.27Å; V103-D215 PolarHBondContact O-N 3.43Å; V103-N216 PolarHBondContact O-N 3.3Å
104L97.2Very high92.1Very high1 Ų143.6 Ų43.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-113.6125.8180-63.785.6000109.8W94 N102 F106 L121 I186 I187 I188 V189 N216 V218W94-L104 HydrophobicContact CH2-CD1 3.84Å; W94-L104 HydrophobicContact CH2-CD2 4.33Å; W94-L104 HydrophobicContact CH2-CG 4.11Å; W94-L104 HydrophobicContact CZ3-CD1 4.21Å; W94-L104 HydrophobicContact CZ3-CD2 3.88Å; W94-L104 HydrophobicContact CZ3-CG 4.15Å; N102-L104 HydrophobicContact CB-CD1 4.38Å; L104-F106 HydrophobicContact CB-CE2 4.23Å; L104-L121 HydrophobicContact CD2-CD2 3.84Å; L104-I186 HydrophobicContact CD1-CG2 4.01Å; L104-I187 PolarHBondContact N-O 3.1Å; L104-I188 WeakPolarHBondContact O-CA 3.2Å; L104-V189 PolarHBondContact O-N 2.65Å; L104-N216 WeakPolarHBondContact CA-O 3.44Å; L104-N216 HydrophobicContact CG-CB 4.39Å; L104-V218 HydrophobicContact CD2-CG2 4.42Å
105M96.8Very high92.4Very high1 Ų141.1 Ų41.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-107.9126.2177.4-178.6-178.517600110.3V107 T191 M205 V208 P214 N216 I217 V218M105-V107 HydrophobicContact CE-CG1 3.96Å; M105-V107 HydrophobicContact CG-CG1 4.17Å; M105-V107 HydrophobicContact SD-CG1 4.5Å; M105-T191 HydrophobicContact CE-CG2 3.68Å; M105-T191 HydrophobicContact CG-CG2 4.05Å; M105-M205 HydrophobicContact CE-CG 3.63Å; M105-M205 WeakPolarHBondContact CE-O 3.48Å; M105-V208 HydrophobicContact CE-CB 4.04Å; M105-V208 HydrophobicContact CE-CG1 3.81Å; M105-V208 HydrophobicContact SD-CG1 4.37Å; M105-P214 HydrophobicContact CB-CB 3.79Å; M105-P214 HydrophobicContact CB-CG 3.99Å; M105-P214 HydrophobicContact SD-CG 4.22Å; M105-N216 PolarHBondContact N-O 2.93Å; M105-I217 HydrophobicContact CB-CG1 4.43Å; M105-I217 CarbonylContact O-C 3.58Å; M105-I217 WeakPolarHBondContact O-CA 3.48Å; M105-V218 PolarHBondContact O-N 2.82Å
106F96.4Very high92.7Very high0 Ų038.4 Ų38.40%023%0.228CC..EExtended strand (participates in β ladder)trans-99.6120.1-177-86.4-121.1000110.9L104 T117 C118 L121 I188 V189 T191 V218 V220 I246L104-F106 HydrophobicContact CB-CE2 4.23Å; F106-T117 HydrophobicContact CE1-CG2 3.71Å; F106-C118 WeakPolarHBondContact CD1-SG 3.37Å; F106-C118 WeakPolarHBondContact CG-SG 3.47Å; F106-L121 HydrophobicContact CE2-CD2 3.89Å; F106-L121 HydrophobicContact CZ-CB 4.32Å; F106-L121 HydrophobicContact CZ-CD2 3.52Å; F106-I188 HydrophobicContact CD2-CG2 3.61Å; F106-I188 HydrophobicContact CE2-CG2 3.58Å; F106-I188 HydrophobicContact CG-CG2 4.43Å; F106-I188 HydrophobicContact CZ-CG2 4.37Å; F106-V189 PolarHBondContact N-O 3.42Å; F106-T191 WeakPolarHBondContact O-CG2 3.49Å; F106-T191 PolarHBondContact O-OG1 2.93Å; F106-V218 HydrophobicContact CD2-CB 4.21Å; F106-V218 HydrophobicContact CD2-CG2 4.45Å; F106-V218 HydrophobicContact CE1-CG1 4.26Å; F106-V218 HydrophobicContact CE2-CB 4.14Å; F106-V218 HydrophobicContact CE2-CG2 4.05Å; F106-V218 HydrophobicContact CG-CB 4.46Å; F106-V218 HydrophobicContact CZ-CB 4.32Å; F106-V218 HydrophobicContact CZ-CG1 4.24Å; F106-V218 HydrophobicContact CZ-CG2 4.41Å; F106-V220 HydrophobicContact CD1-CG2 3.42Å; F106-V220 VanDerWaalsContact CD1-CG2 3.42Å; F106-V220 HydrophobicContact CE1-CG2 3.84Å; F106-V220 HydrophobicContact CG-CG2 4.37Å; F106-I246 HydrophobicContact CE1-CD1 4.08Å; F106-I246 HydrophobicContact CZ-CD1 4.1Å
107V94.1Very high92.9Very high0 Ų037.4 Ų37.40%022%0.221CC..EExtended strand (participates in β ladder)trans-126.2159.8-177.9-58.30000111.1M105 M205 I217 V218 Y219 V220 F236 V242M105-V107 HydrophobicContact CE-CG1 3.96Å; M105-V107 HydrophobicContact CG-CG1 4.17Å; M105-V107 HydrophobicContact SD-CG1 4.5Å; V107-M205 HydrophobicContact CB-SD 3.83Å; V107-M205 HydrophobicContact CG1-CG 4.08Å; V107-M205 HydrophobicContact CG1-SD 3.51Å; V107-M205 VanDerWaalsContact CG1-SD 3.51Å; V107-I217 HydrophobicContact CG1-CG2 4.03Å; V107-I217 HydrophobicContact CG2-CG2 3.68Å; V107-V218 PolarHBondContact N-O 3Å; V107-Y219 HydrophobicContact CG2-CD2 4.41Å; V107-Y219 WeakPolarHBondContact O-CA 2.94Å; V107-V220 PolarHBondContact O-N 2.7Å; V107-F236 HydrophobicContact CB-CD1 4.22Å; V107-F236 HydrophobicContact CB-CE1 4.27Å; V107-F236 HydrophobicContact CG2-CD1 4.16Å; V107-V242 HydrophobicContact CG2-CG2 4.33Å
108G92Very high93.1Very high1 Ų134.1 Ų34.11%0.0120%0.201CC..  trans144.8178.6176.100000113.8K114 G193 R194G108-K114 PolarHBondContact O-NZ 3.13Å; G108-G193 WeakPolarHBondContact O-CA 3.26Å; G108-R194 PolarHBondContact O-N 2.86Å
109L88.9Confident93.5Very high31 Ų3129.4 Ų29.416%0.16218%0.181CC..  trans-61.2157.7-174.1-61.8-178000113G111 S112 K114 R194 I225 Q232 F236L109-G111 PolarHBondContact O-N 3.32Å; L109-S112 WeakPolarHBondContact O-CB 3.49Å; L109-S112 PolarHBondContact O-N 3.06Å; L109-S112 PolarHBondContact O-OG 3.47Å; L109-K114 PolarHBondContact O-NZ 3.28Å; L109-R194 VanDerWaalsContact CD2-O 3.28Å; L109-R194 WeakPolarHBondContact CD2-O 3.44Å; L109-I225 HydrophobicContact CD1-CD1 3.54Å; L109-Q232 HydrophobicContact CD1-CB 4.47Å; L109-Q232 HydrophobicContact CD1-CG 4.11Å; L109-Q232 HydrophobicContact CD2-CG 4.37Å; L109-F236 HydrophobicContact CD2-CE2 4.04Å
110Q87.4Confident94.1Very high160 Ų16026.5 Ų26.575%0.74815%0.149SC*.THydrogen-bonded Turntrans-58136.6169.2-171.4179.1-2.300110.2S112Q110-S112 PolarHBondContact O-N 3.12Å
111G88.1Confident94.3Very high52 Ų5220 Ų2054%0.53612%0.12SC..THydrogen-bonded Turntrans73.64.5179.200000115.8L109 G113 K249L109-G111 PolarHBondContact O-N 3.32Å; G111-G113 PolarHBondContact O-N 3.49Å; G111-K249 PolarHBondContact O-NZ 3.41Å
112S90.3Very high94.4Very high3 Ų317 Ų172%0.02111%0.105CC..SBendtrans-71.2-7.8177.472.70000114.5L109 Q110 V220 T248L109-S112 WeakPolarHBondContact O-CB 3.49Å; L109-S112 PolarHBondContact O-N 3.06Å; L109-S112 PolarHBondContact O-OG 3.47Å; Q110-S112 PolarHBondContact O-N 3.12Å; S112-V220 VanDerWaalsContact CB-O 3.26Å; S112-V220 WeakPolarHBondContact CB-O 3.36Å; S112-V220 WeakPolarHBondContact O-CG1 3.32Å; S112-V220 PolarHBondContact OG-O 2.95Å; S112-T248 WeakPolarHBondContact O-CG2 3.41Å; S112-T248 PolarHBondContact O-OG1 3.15Å
113G92.6Very high94.4Very high19 Ų1919.3 Ų19.320%0.19611%0.113CC..SBendtrans97.514.1176.600000115.7G111 T115 T116 T117G111-G113 PolarHBondContact O-N 3.49Å; G113-T115 PolarHBondContact O-N 2.8Å; G113-T116 PolarHBondContact O-N 3.43Å; G113-T117 PolarHBondContact O-N 3.5Å; G113-T117 PolarHBondContact O-OG1 3.45Å
114K94.6Very high94.3Very high12 Ų1220.9 Ų20.95%0.05212%0.119CC..Hα-helixtrans-44.9-63.6-179.2-69.2-175-63.3-66.90114.4G108 L109 T116 T117 C118 D190 T191 S192 V220G108-K114 PolarHBondContact O-NZ 3.13Å; L109-K114 PolarHBondContact O-NZ 3.28Å; K114-T116 VanDerWaalsContact C-N 3.25Å; K114-T116 PolarHBondContact O-N 3.45Å; K114-T117 CarbonylContact O-C 3.42Å; K114-T117 WeakPolarHBondContact O-CA 3.26Å; K114-T117 PolarHBondContact O-N 2.94Å; K114-C118 PolarHBondContact O-N 2.8Å; K114-C118 PolarHBondContact O-SG 2.99Å; K114-D190 WeakPolarHBondContact CB-OD1 3.4Å; K114-T191 WeakPolarHBondContact CE-O 3.42Å; K114-S192 WeakPolarHBondContact CE-O 3.35Å; K114-V220 HydrophobicContact CG-CB 3.91Å; K114-V220 HydrophobicContact CG-CG1 4.45Å; K114-V220 HydrophobicContact CG-CG2 4.1Å
115T95.1Very high94.2Very high9 Ų921.8 Ų21.86%0.05512%0.123CC..Hα-helixtrans-54-40.4-178-48.60000113.3G113 S119 R141 Q147 L148 D190G113-T115 PolarHBondContact O-N 2.8Å; T115-S119 PolarHBondContact O-N 3.48Å; T115-S119 PolarHBondContact O-OG 3.27Å; T115-R141 PolarHBondContact OG1-NH2 2.99Å; T115-Q147 HydrophobicContact CG2-CG 4.17Å; T115-L148 HydrophobicContact CG2-CB 3.89Å; T115-L148 HydrophobicContact CG2-CD1 4.44Å; T115-L148 HydrophobicContact CG2-CG 4.49Å; T115-D190 VanDerWaalsContact CA-OD2 3.28Å; T115-D190 WeakPolarHBondContact CA-OD2 3.14Å; T115-D190 WeakPolarHBondContact CB-OD2 3.22Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.42Å; T115-D190 PolarHBondContact N-OD1 2.99Å; T115-D190 PolarHBondContact OG1-OD2 2.87Å
116T95Very high94.1Very high47 Ų4724.7 Ų24.729%0.28814%0.136SC..Hα-helixtrans-66.9-48.2176.2-54.20000110.5G113 K114 C118 S119 K120G113-T116 PolarHBondContact O-N 3.43Å; K114-T116 VanDerWaalsContact C-N 3.25Å; K114-T116 PolarHBondContact O-N 3.45Å; T116-C118 PolarHBondContact O-N 2.97Å; T116-S119 PolarHBondContact O-N 2.54Å; T116-K120 HydrophobicContact CG2-CD 4.23Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 3.46Å
117T96.8Very high93.8Very high4 Ų432.5 Ų32.53%0.02517%0.166CC..Hα-helixtrans-63.8-37.3178.9-51.80000112.4F106 G113 K114 S119 K120 L121 I246 T248 L282F106-T117 HydrophobicContact CE1-CG2 3.71Å; G113-T117 PolarHBondContact O-N 3.5Å; G113-T117 PolarHBondContact O-OG1 3.45Å; K114-T117 CarbonylContact O-C 3.42Å; K114-T117 WeakPolarHBondContact O-CA 3.26Å; K114-T117 PolarHBondContact O-N 2.94Å; T117-S119 VanDerWaalsContact C-N 3.32Å; T117-S119 PolarHBondContact O-N 3.24Å; T117-K120 PolarHBondContact O-N 2.96Å; T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 3.23Å; T117-I246 HydrophobicContact CG2-CB 4.38Å; T117-I246 HydrophobicContact CG2-CD1 3.74Å; T117-I246 HydrophobicContact CG2-CG2 3.69Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.5Å; T117-L282 HydrophobicContact CG2-CD1 4.41Å
118C97.1Very high93.6Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-56-49173.4-66.30000110.6F106 K114 T116 L121 A122 L134 I188 D190F106-C118 WeakPolarHBondContact CD1-SG 3.37Å; F106-C118 WeakPolarHBondContact CG-SG 3.47Å; K114-C118 PolarHBondContact O-N 2.8Å; K114-C118 PolarHBondContact O-SG 2.99Å; T116-C118 PolarHBondContact O-N 2.97Å; C118-L121 PolarHBondContact O-N 3.36Å; C118-A122 WeakPolarHBondContact O-CB 3.41Å; C118-A122 PolarHBondContact O-N 3.28Å; C118-L134 HydrophobicContact CB-CD2 4.07Å; C118-I188 HydrophobicContact CB-CG2 3.88Å; C118-D190 HydrophobicContact CB-CB 4.44Å
119S96.8Very high93.6Very high3 Ų340.3 Ų40.32%0.02122%0.215CC..Hα-helixtrans-64.3-42.7179.8-53.40000111.9T115 T116 T117 Y123 N151T115-S119 PolarHBondContact O-N 3.48Å; T115-S119 PolarHBondContact O-OG 3.27Å; T116-S119 PolarHBondContact O-N 2.54Å; T117-S119 VanDerWaalsContact C-N 3.32Å; T117-S119 PolarHBondContact O-N 3.24Å; S119-Y123 WeakPolarHBondContact O-CB 3.38Å; S119-Y123 PolarHBondContact O-N 3.28Å; S119-N151 WeakPolarHBondContact OG-CB 3.45Å
120K96.9Very high94Very high7 Ų740.4 Ų40.43%0.0321%0.213CC..Hα-helixtrans-62.1-45.2175.8-69.4176.3170.9-148.30112.3T116 T117 Y123 Y124 G276 H278 I279 D281 L282T116-K120 HydrophobicContact CG2-CD 4.23Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 3.46Å; T117-K120 PolarHBondContact O-N 2.96Å; K120-Y123 PolarHBondContact O-N 3.33Å; K120-Y124 WeakPolarHBondContact O-CB 3.3Å; K120-Y124 PolarHBondContact O-N 3.3Å; K120-G276 PolarHBondContact NZ-O 3.17Å; K120-H278 WeakPolarHBondContact CE-O 3.3Å; K120-H278 PolarHBondContact NZ-O 2.73Å; K120-I279 WeakPolarHBondContact CG-O 3.3Å; K120-D281 PolarHBondContact NZ-O 2.89Å; K120-L282 HydrophobicContact CB-CB 3.94Å; K120-L282 HydrophobicContact CB-CD1 4.47Å; K120-L282 HydrophobicContact CB-CD2 3.87Å; K120-L282 HydrophobicContact CB-CG 4.32Å; K120-L282 HydrophobicContact CD-CB 4.26Å
121L96.5Very high94.4Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-67.9-42.3-178.7-171.767.5000111.1L104 F106 T117 C118 Y123 Y124 Y125 I188 F272 L282L104-L121 HydrophobicContact CD2-CD2 3.84Å; F106-L121 HydrophobicContact CE2-CD2 3.89Å; F106-L121 HydrophobicContact CZ-CB 4.32Å; F106-L121 HydrophobicContact CZ-CD2 3.52Å; T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 3.23Å; C118-L121 PolarHBondContact O-N 3.36Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.84Å; L121-Y124 WeakPolarHBondContact O-CB 3.31Å; L121-Y124 PolarHBondContact O-N 2.75Å; L121-Y125 HydrophobicContact CD1-CD2 3.96Å; L121-Y125 HydrophobicContact CD1-CE2 3.5Å; L121-Y125 VanDerWaalsContact CD1-CE2 3.5Å; L121-Y125 HydrophobicContact CD2-CE2 4.07Å; L121-Y125 HydrophobicContact CG-CD2 3.85Å; L121-Y125 HydrophobicContact CG-CE2 3.67Å; L121-Y125 VanDerWaalsContact O-CD2 3.32Å; L121-Y125 WeakPolarHBondContact O-CD2 3.41Å; L121-Y125 PolarHBondContact O-N 3.02Å; L121-I188 HydrophobicContact CB-CD1 4.05Å; L121-I188 HydrophobicContact CD2-CD1 4.12Å; L121-I188 HydrophobicContact CG-CD1 4.15Å; L121-F272 HydrophobicContact CD1-CD2 3.78Å; L121-F272 HydrophobicContact CD1-CE1 4.36Å; L121-F272 HydrophobicContact CD1-CE2 3.43Å; L121-F272 VanDerWaalsContact CD1-CE2 3.43Å; L121-F272 HydrophobicContact CD1-CG 4.42Å; L121-F272 HydrophobicContact CD1-CZ 3.76Å; L121-L282 HydrophobicContact CB-CD2 4.16Å; L121-L282 HydrophobicContact CD1-CD2 4.02Å
122A96.6Very high94.8Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-61.1-40.5175.400000111.5C118 Q126 T132 L134 I157 I188C118-A122 WeakPolarHBondContact O-CB 3.41Å; C118-A122 PolarHBondContact O-N 3.28Å; A122-Q126 VanDerWaalsContact O-CB 3.27Å; A122-Q126 WeakPolarHBondContact O-CB 3.3Å; A122-Q126 PolarHBondContact O-N 3.23Å; A122-T132 VanDerWaalsContact O-CG2 3.27Å; A122-T132 WeakPolarHBondContact O-CG2 3.27Å; A122-T132 PolarHBondContact O-OG1 3.24Å; A122-T132 VanDerWaalsContact O-OG1 3.04Å; A122-L134 HydrophobicContact CB-CD2 3.67Å; A122-L134 HydrophobicContact CB-CG 4.13Å; A122-I157 HydrophobicContact CB-CD1 3.56Å; A122-I157 HydrophobicContact CB-CG2 4.16Å; A122-I188 HydrophobicContact CB-CD1 3.77Å
123Y96.1Very high95.2Very high53 Ų5336.1 Ų36.121%0.20818%0.177CC..Hα-helixtrans-69.3-40.5176.7176.8-97.4000112.6S119 K120 L121 Y125 Q126 R127 A155 I279 D280S119-Y123 WeakPolarHBondContact O-CB 3.38Å; S119-Y123 PolarHBondContact O-N 3.28Å; K120-Y123 PolarHBondContact O-N 3.33Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.84Å; Y123-Y125 PolarHBondContact O-N 2.61Å; Y123-Q126 WeakPolarHBondContact O-CB 3.43Å; Y123-Q126 PolarHBondContact O-N 3.3Å; Y123-R127 HydrophobicContact CE1-CG 4.06Å; Y123-R127 HydrophobicContact CE2-CG 4.36Å; Y123-R127 PolarHBondContact O-N 3.47Å; Y123-A155 HydrophobicContact CD2-CB 4.35Å; Y123-I279 HydrophobicContact CD1-CG1 4.18Å; Y123-I279 HydrophobicContact CD1-CG2 4.36Å; Y123-I279 HydrophobicContact CD2-CD1 4.28Å; Y123-I279 HydrophobicContact CE1-CG2 4.31Å; Y123-I279 HydrophobicContact CG-CD1 4.03Å; Y123-I279 HydrophobicContact CG-CG1 3.99Å; Y123-D280 WeakPolarHBondContact CE1-OD1 3.39Å; Y123-D280 VanDerWaalsContact CZ-OD1 3.25Å; Y123-D280 PolarHBondContact OH-OD1 3.03Å
124Y95.1Very high95.5Very high35 Ų3535.2 Ų35.214%0.13717%0.168CC..Hα-helixtrans-56-48.5173.9174.9-93.6000111.9K120 L121 R127 K128 F272 P284K120-Y124 WeakPolarHBondContact O-CB 3.3Å; K120-Y124 PolarHBondContact O-N 3.3Å; L121-Y124 WeakPolarHBondContact O-CB 3.31Å; L121-Y124 PolarHBondContact O-N 2.75Å; Y124-R127 PolarHBondContact O-N 3.37Å; Y124-K128 HydrophobicContact CD1-CD 4.43Å; Y124-K128 HydrophobicContact CE1-CD 3.82Å; Y124-K128 VanDerWaalsContact CZ-CE 3.42Å; Y124-K128 PolarHBondContact O-N 3.21Å; Y124-K128 VanDerWaalsContact OH-CE 3.24Å; Y124-K128 WeakPolarHBondContact OH-CE 3.33Å; Y124-K128 PolarHBondContact OH-NZ 3.41Å; Y124-F272 AromaticContact CD1-CE1 3.96Å; Y124-F272 HydrophobicContact CD1-CE1 3.96Å; Y124-F272 AromaticContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD2-CE1 4.35Å; Y124-F272 AromaticContact CE1-CE1 3.67Å; Y124-F272 HydrophobicContact CE1-CE1 3.67Å; Y124-F272 AromaticContact CE1-CZ 3.58Å; Y124-F272 HydrophobicContact CE1-CZ 3.58Å; Y124-F272 HydrophobicContact CE2-CE1 4.09Å; Y124-F272 HydrophobicContact CG-CE1 4.29Å; Y124-F272 AromaticContact CZ-CE1 3.71Å; Y124-P284 HydrophobicContact CE2-CG 4.15Å; Y124-P284 WeakPolarHBondContact OH-CG 3.38Å
125Y95.2Very high95.6Very high20 Ų2034.6 Ų34.68%0.07817%0.165CC..Hα-helixtrans-71.8-33.3177.1-76.1-62.5000112.6P96 L121 Y123 R127 K128 G129 W130 I186P96-Y125 HydrophobicContact CG-CD1 4.49Å; P96-Y125 HydrophobicContact CG-CE1 3.7Å; L121-Y125 HydrophobicContact CD1-CD2 3.96Å; L121-Y125 HydrophobicContact CD1-CE2 3.5Å; L121-Y125 VanDerWaalsContact CD1-CE2 3.5Å; L121-Y125 HydrophobicContact CD2-CE2 4.07Å; L121-Y125 HydrophobicContact CG-CD2 3.85Å; L121-Y125 HydrophobicContact CG-CE2 3.67Å; L121-Y125 VanDerWaalsContact O-CD2 3.32Å; L121-Y125 WeakPolarHBondContact O-CD2 3.41Å; L121-Y125 PolarHBondContact O-N 3.02Å; Y123-Y125 PolarHBondContact O-N 2.61Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-R127 PolarHBondContact O-N 2.96Å; Y125-K128 CarbonylContact O-C 3.51Å; Y125-K128 WeakPolarHBondContact O-CA 3.45Å; Y125-K128 WeakPolarHBondContact O-CB 3.4Å; Y125-K128 PolarHBondContact O-N 3.15Å; Y125-G129 PolarHBondContact O-N 3.34Å; Y125-W130 HydrophobicContact CD1-CG 4.34Å; Y125-W130 WeakPolarHBondContact O-CB 3.4Å; Y125-W130 PolarHBondContact O-N 3.2Å; Y125-I186 HydrophobicContact CD2-CG2 4.19Å; Y125-I186 HydrophobicContact CG-CG1 4.37Å
126Q94.3Very high95.7Very high62 Ų6234.4 Ų34.429%0.2916%0.164SC..Hα-helixtrans-59.7-43.7173.8-173.1-176.731.800111.5A122 Y123 K128 G129 T132 A155 R156A122-Q126 VanDerWaalsContact O-CB 3.27Å; A122-Q126 WeakPolarHBondContact O-CB 3.3Å; A122-Q126 PolarHBondContact O-N 3.23Å; Y123-Q126 WeakPolarHBondContact O-CB 3.43Å; Y123-Q126 PolarHBondContact O-N 3.3Å; Q126-K128 PolarHBondContact O-N 3.21Å; Q126-G129 PolarHBondContact O-N 3.4Å; Q126-T132 HydrophobicContact CB-CG2 4.34Å; Q126-A155 PolarHBondContact OE1-O 3.48Å; Q126-A155 VanDerWaalsContact OE1-O 3.13Å; Q126-R156 PolarHBondContact NE2-O 2.88Å
127R90.9Very high95.7Very high165 Ų16532.2 Ų32.262%0.62315%0.151SC*.Hα-helixtrans-61.5-28.1174.1-74.3-17562.2-161.2-4.7113.2Y123 Y124 Y125 G129Y123-R127 HydrophobicContact CE1-CG 4.06Å; Y123-R127 HydrophobicContact CE2-CG 4.36Å; Y123-R127 PolarHBondContact O-N 3.47Å; Y124-R127 PolarHBondContact O-N 3.37Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-R127 PolarHBondContact O-N 2.96Å; R127-G129 PolarHBondContact O-N 2.86Å
128K90Very high95.5Very high110 Ų11032.6 Ų32.648%0.47815%0.153SC..THydrogen-bonded Turntrans-82.77.8173.2-69.8-173.9166-166.10113.6Y124 Y125 Q126Y124-K128 HydrophobicContact CD1-CD 4.43Å; Y124-K128 HydrophobicContact CE1-CD 3.82Å; Y124-K128 VanDerWaalsContact CZ-CE 3.42Å; Y124-K128 PolarHBondContact O-N 3.21Å; Y124-K128 VanDerWaalsContact OH-CE 3.24Å; Y124-K128 WeakPolarHBondContact OH-CE 3.33Å; Y124-K128 PolarHBondContact OH-NZ 3.41Å; Y125-K128 CarbonylContact O-C 3.51Å; Y125-K128 WeakPolarHBondContact O-CA 3.45Å; Y125-K128 WeakPolarHBondContact O-CB 3.4Å; Y125-K128 PolarHBondContact O-N 3.15Å; Q126-K128 PolarHBondContact O-N 3.21Å
129G92.1Very high95.1Very high55 Ų5534.7 Ų34.757%0.56717%0.166SC*.THydrogen-bonded Turntrans78.625.1177.200000114.2K98 Y125 Q126 R127K98-G129 PolarHBondContact NZ-O 3.07Å; Y125-G129 PolarHBondContact O-N 3.34Å; Q126-G129 PolarHBondContact O-N 3.4Å; R127-G129 PolarHBondContact O-N 2.86Å
130W96.1Very high94.6Very high32 Ų3240.3 Ų40.312%0.12119%0.19CC..  trans-91.4146.1172.4-61.773.4000111.1P96 K98 Y125 T132 E185 I186P96-W130 HydrophobicContact CB-CH2 3.73Å; P96-W130 HydrophobicContact CB-CZ2 4.34Å; P96-W130 HydrophobicContact CB-CZ3 3.94Å; P96-W130 HydrophobicContact CG-CH2 3.85Å; P96-W130 HydrophobicContact CG-CZ2 3.95Å; P96-W130 HydrophobicContact CG-CZ3 4.4Å; K98-W130 HydrophobicContact CB-CH2 4.09Å; K98-W130 HydrophobicContact CB-CZ3 4.34Å; K98-W130 HydrophobicContact CD-CD2 3.96Å; K98-W130 HydrophobicContact CD-CE3 3.75Å; K98-W130 HydrophobicContact CD-CH2 3.71Å; K98-W130 HydrophobicContact CD-CZ2 3.88Å; K98-W130 HydrophobicContact CD-CZ3 3.64Å; K98-W130 VanDerWaalsContact CE-CD2 3.47Å; K98-W130 VanDerWaalsContact CE-CE2 3.42Å; K98-W130 HydrophobicContact CG-CE3 4.45Å; K98-W130 HydrophobicContact CG-CH2 3.47Å; K98-W130 VanDerWaalsContact CG-CH2 3.47Å; K98-W130 HydrophobicContact CG-CZ2 3.68Å; K98-W130 HydrophobicContact CG-CZ3 3.88Å; Y125-W130 HydrophobicContact CD1-CG 4.34Å; Y125-W130 WeakPolarHBondContact O-CB 3.4Å; Y125-W130 PolarHBondContact O-N 3.2Å; W130-T132 HydrophobicContact CB-CG2 4.04Å; W130-T132 PolarHBondContact O-N 3.32Å; W130-E185 WeakPolarHBondContact CA-OE2 3.47Å; W130-E185 HydrophobicContact CE3-CB 3.77Å; W130-E185 HydrophobicContact CZ3-CB 4.31Å; W130-I186 HydrophobicContact CB-CG1 3.93Å; W130-I186 HydrophobicContact CD2-CD1 4.22Å; W130-I186 HydrophobicContact CD2-CG1 4.11Å; W130-I186 HydrophobicContact CE3-CD1 3.72Å; W130-I186 HydrophobicContact CE3-CG1 3.77Å; W130-I186 HydrophobicContact CG-CG1 4.22Å; W130-I186 HydrophobicContact CZ3-CD1 4.06Å
131K96.3Very high94.1Very high121 Ų12144.5 Ų44.553%0.52621%0.206SC..  trans-80.4107.1167.8-72.8-175177.8-178.90109.2F184 E185 I186K131-F184 HydrophobicContact CB-CD1 3.99Å; K131-F184 HydrophobicContact CB-CE1 4.46Å; K131-E185 PolarHBondContact N-OE2 3.21Å; K131-E185 PolarHBondContact O-N 3.1Å; K131-I186 PolarHBondContact O-N 2.92Å
132T97.5Very high93.7Very high4 Ų449.3 Ų49.33%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-110.9147.1-175.569.30000111.7A122 Q126 W130 F184 I186A122-T132 VanDerWaalsContact O-CG2 3.27Å; A122-T132 WeakPolarHBondContact O-CG2 3.27Å; A122-T132 PolarHBondContact O-OG1 3.24Å; A122-T132 VanDerWaalsContact O-OG1 3.04Å; Q126-T132 HydrophobicContact CB-CG2 4.34Å; W130-T132 HydrophobicContact CB-CG2 4.04Å; W130-T132 PolarHBondContact O-N 3.32Å; T132-F184 WeakPolarHBondContact O-CD1 3.2Å; T132-F184 VanDerWaalsContact O-CE1 3.26Å; T132-F184 WeakPolarHBondContact O-CE1 3.45Å; T132-I186 CarbonylContact C-O 3.6Å; T132-I186 WeakPolarHBondContact CA-O 3.37Å; T132-I186 HydrophobicContact CG2-CB 3.87Å; T132-I186 HydrophobicContact CG2-CG1 4.19Å; T132-I186 HydrophobicContact CG2-CG2 4.28Å
133C97.5Very high93.3Very high0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-143157.5174.261.40000111P158 F179 F184 I186 I188C133-P158 WeakPolarHBondContact CA-O 3.5Å; C133-P158 HydrophobicContact CB-CB 4.46Å; C133-F179 HydrophobicContact CB-CD1 3.77Å; C133-F179 HydrophobicContact CB-CD2 3.78Å; C133-F179 HydrophobicContact CB-CE1 3.74Å; C133-F179 HydrophobicContact CB-CE2 3.72Å; C133-F179 HydrophobicContact CB-CG 3.81Å; C133-F179 HydrophobicContact CB-CZ 3.71Å; C133-F179 VanDerWaalsContact SG-CB 3.58Å; C133-F179 WeakPolarHBondContact SG-CD2 3.47Å; C133-F179 WeakPolarHBondContact SG-CG 3.37Å; C133-F184 HydrophobicContact CB-CD1 3.67Å; C133-F184 HydrophobicContact CB-CE1 3.97Å; C133-F184 HydrophobicContact CB-CG 4.13Å; C133-I186 PolarHBondContact N-O 2.85Å; C133-I188 PolarHBondContact O-N 2.91Å
134L98.2Very high93.1Very high0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans-117.5138.4-179.8-63.7172.8000110.4C118 A122 L148 A152 I157 P158 F159 Y160 I188C118-L134 HydrophobicContact CB-CD2 4.07Å; A122-L134 HydrophobicContact CB-CD2 3.67Å; A122-L134 HydrophobicContact CB-CG 4.13Å; L134-L148 HydrophobicContact CB-CD1 4.39Å; L134-L148 HydrophobicContact CB-CD2 3.88Å; L134-L148 HydrophobicContact CB-CG 4.42Å; L134-L148 HydrophobicContact CD1-CD2 4.46Å; L134-A152 HydrophobicContact CD1-CB 3.8Å; L134-I157 HydrophobicContact CD1-CG2 4.17Å; L134-I157 HydrophobicContact CG-CG2 3.97Å; L134-P158 PolarHBondContact N-O 3.37Å; L134-F159 HydrophobicContact CB-CB 4.38Å; L134-F159 CarbonylContact O-C 3.58Å; L134-F159 WeakPolarHBondContact O-CA 3.42Å; L134-Y160 PolarHBondContact O-N 3.22Å; L134-I188 CarbonylContact C-O 3.57Å; L134-I188 HydrophobicContact CD2-CB 3.95Å; L134-I188 HydrophobicContact CD2-CD1 4.34Å; L134-I188 HydrophobicContact CD2-CG2 4.32Å
135I97.9Very high93.1Very high0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-122125.9174-60.7167.4000107.6Y160 I171 V176 F179 I187 I188 V189 D190I135-Y160 WeakPolarHBondContact CA-O 3.25Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; I135-I171 HydrophobicContact CG2-CG2 4.48Å; I135-V176 HydrophobicContact CD1-CB 4.4Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; I135-F179 HydrophobicContact CD1-CD2 4.07Å; I135-F179 HydrophobicContact CD1-CE2 4.48Å; I135-F179 HydrophobicContact CG1-CD2 3.91Å; I135-F179 HydrophobicContact CG1-CE2 3.82Å; I135-I187 HydrophobicContact CD1-CG2 3.46Å; I135-I187 VanDerWaalsContact CD1-CG2 3.46Å; I135-I187 HydrophobicContact CG1-CG2 4.37Å; I135-I188 PolarHBondContact N-O 2.84Å; I135-V189 HydrophobicContact CB-CG2 4.41Å; I135-V189 HydrophobicContact CD1-CG2 4.1Å; I135-D190 PolarHBondContact O-N 3.18Å
136C96.7Very high93.1Very high4 Ų450.3 Ų50.33%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-94.9104.6173.9-165.50000110F145 L148 Y160 I171C136-F145 HydrophobicContact CB-CD2 3.66Å; C136-F145 HydrophobicContact CB-CE2 4.38Å; C136-L148 HydrophobicContact CB-CB 4.34Å; C136-L148 HydrophobicContact CB-CD1 3.84Å; C136-L148 HydrophobicContact CB-CD2 4.21Å; C136-L148 HydrophobicContact CB-CG 4.35Å; C136-Y160 PolarHBondContact N-O 3.43Å; C136-I171 WeakPolarHBondContact O-CG2 3.42Å
137A94.9Very high93.1Very high1 Ų150.6 Ų50.61%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-106.725.8172.600000111.3P168 A172 V189 D190A137-P168 HydrophobicContact CB-CB 4.24Å; A137-P168 WeakPolarHBondContact O-CB 3.18Å; A137-A172 HydrophobicContact CB-CB 4.18Å; A137-V189 HydrophobicContact CB-CG1 4.01Å; A137-D190 CarbonylContact C-O 3.51Å; A137-D190 WeakPolarHBondContact CA-O 3.47Å; A137-D190 PolarHBondContact N-O 2.87Å
138D92.6Very high93.4Very high13 Ų1342.7 Ų42.77%0.0724%0.238CC..  trans-96.586.2171.7-176.74.6000108.9R141 A144 D190 S192D138-R141 PolarHBondContact OD1-N 2.84Å; D138-R141 IonicContact OD2-CZ 3.54Å; D138-R141 IonicContact OD2-NE 3.63Å; D138-R141 PolarHBondContact OD2-NE 3.46Å; D138-R141 IonicContact OD2-NH2 2.59Å; D138-R141 PolarHBondContact OD2-NH2 3.35Å; D138-A144 HydrophobicContact CB-CB 3.81Å; D138-A144 VanDerWaalsContact OD2-CB 3.29Å; D138-A144 WeakPolarHBondContact OD2-CB 3.3Å; D138-D190 PolarHBondContact N-O 3.21Å; D138-S192 WeakPolarHBondContact OD1-CA 3.47Å; D138-S192 VanDerWaalsContact OD1-CB 3.25Å; D138-S192 WeakPolarHBondContact OD1-CB 3.44Å
139T89.3Confident93.6Very high44 Ų4441 Ų4127%0.2723%0.231SC..  trans-86.4-11.5179.454.50000113.2M166 P168 I171T139-M166 WeakPolarHBondContact CB-O 3.49Å; T139-M166 WeakPolarHBondContact CG2-O 2.99Å; T139-M166 PolarHBondContact OG1-O 3.05Å; T139-P168 HydrophobicContact CG2-CB 4.39Å; T139-I171 HydrophobicContact CG2-CD1 3.35Å
140F85.3Confident93.8Very high120 Ų12043.8 Ų43.853%0.52623%0.229SC..SBendtrans-86.5-40.8-174.7-74.1-90.9000113.1L201 E204F140-L201 HydrophobicContact CE1-CD2 4.01Å; F140-L201 HydrophobicContact CE2-CD2 4.01Å; F140-L201 HydrophobicContact CZ-CD2 3.63Å; F140-E204 VanDerWaalsContact CE2-OE1 3.31Å; F140-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F140-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F140-E204 WeakPolarHBondContact CZ-OE1 3.43Å
141R88.3Confident93.8Very high96 Ų9643.9 Ų43.936%0.36223%0.232SC..SBendtrans-85.8122.4-174.8177.1177.557.3139.37.9110.7T115 D138 G143 A144 Q147T115-R141 PolarHBondContact OG1-NH2 2.99Å; D138-R141 PolarHBondContact OD1-N 2.84Å; D138-R141 IonicContact OD2-CZ 3.54Å; D138-R141 IonicContact OD2-NE 3.63Å; D138-R141 PolarHBondContact OD2-NE 3.46Å; D138-R141 IonicContact OD2-NH2 2.59Å; D138-R141 PolarHBondContact OD2-NH2 3.35Å; R141-G143 PolarHBondContact O-N 2.84Å; R141-A144 HydrophobicContact CB-CB 4.05Å; R141-A144 HydrophobicContact CG-CB 4.36Å; R141-A144 VanDerWaalsContact O-CB 3.22Å; R141-A144 WeakPolarHBondContact O-CB 3.35Å; R141-A144 PolarHBondContact O-N 3.12Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.3Å
142A86.8Confident93.7Very high101 Ų10138.1 Ų38.184%0.83521%0.207SC*.THydrogen-bonded Turntrans-55.7128.2174.100000111.5A144A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.49Å
143G89.1Confident93.6Very high42 Ų4242 Ų4243%0.43323%0.231SC..THydrogen-bonded Turntrans7310.3-179.700000115.1R141 D146 Q147R141-G143 PolarHBondContact O-N 2.84Å; G143-D146 PolarHBondContact O-N 3.29Å; G143-Q147 WeakPolarHBondContact O-CB 3.24Å; G143-Q147 PolarHBondContact O-N 3.49Å
144A91.6Very high93.3Very high1 Ų149.4 Ų49.41%0.00826%0.263CS..Hα-helixtrans-60.3-4517600000112.1D138 R141 A142 D146 Q147 L148D138-A144 HydrophobicContact CB-CB 3.81Å; D138-A144 VanDerWaalsContact OD2-CB 3.29Å; D138-A144 WeakPolarHBondContact OD2-CB 3.3Å; R141-A144 HydrophobicContact CB-CB 4.05Å; R141-A144 HydrophobicContact CG-CB 4.36Å; R141-A144 VanDerWaalsContact O-CB 3.22Å; R141-A144 WeakPolarHBondContact O-CB 3.35Å; R141-A144 PolarHBondContact O-N 3.12Å; A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.49Å; A144-D146 PolarHBondContact O-N 2.72Å; A144-Q147 WeakPolarHBondContact O-CB 3.33Å; A144-Q147 PolarHBondContact O-N 2.92Å; A144-L148 PolarHBondContact O-N 3.07Å
145F94.3Very high93Very high24 Ų2449.8 Ų49.811%0.10527%0.266CS..Hα-helixtrans-63.6-42.3176.7-177.6-135.5000112C136 Q147 L148 K149 F159 Y163C136-F145 HydrophobicContact CB-CD2 3.66Å; C136-F145 HydrophobicContact CB-CE2 4.38Å; F145-Q147 VanDerWaalsContact C-N 3.33Å; F145-Q147 PolarHBondContact O-N 3.49Å; F145-L148 PolarHBondContact O-N 3.39Å; F145-K149 WeakPolarHBondContact O-CB 2.77Å; F145-K149 PolarHBondContact O-N 2.98Å; F145-F159 AromaticContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CE2 4.38Å; F145-F159 HydrophobicContact CZ-CD2 4.1Å; F145-F159 HydrophobicContact CZ-CE2 4.14Å; F145-Y163 AromaticContact CD1-CD1 3.93Å; F145-Y163 HydrophobicContact CD1-CD1 3.93Å; F145-Y163 AromaticContact CD1-CD2 3.99Å; F145-Y163 HydrophobicContact CD1-CD2 3.99Å; F145-Y163 AromaticContact CD1-CE1 3.6Å; F145-Y163 HydrophobicContact CD1-CE1 3.6Å; F145-Y163 AromaticContact CD1-CE2 3.66Å; F145-Y163 HydrophobicContact CD1-CE2 3.66Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.45Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F145-Y163 AromaticContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CE1 4.21Å; F145-Y163 AromaticContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CG 4.38Å; F145-Y163 AromaticContact CE1-CZ 3.6Å
146D95.3Very high92.9Very high62 Ų6260 Ų6033%0.33231%0.305SS..Hα-helixtrans-64.2-37.4176.4-65.8-57000112.2G143 A144 K149 Q150 Y163G143-D146 PolarHBondContact O-N 3.29Å; A144-D146 PolarHBondContact O-N 2.72Å; D146-K149 PolarHBondContact O-N 3.35Å; D146-Q150 WeakPolarHBondContact O-CB 3.24Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.22Å; D146-Q150 PolarHBondContact O-N 3.3Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.2Å; D146-Y163 PolarHBondContact OD1-OH 3.28Å
147Q94.8Very high92.9Very high67 Ų6760 Ų6031%0.31331%0.305SS..Hα-helixtrans-61.8-50.1174-175.5-179.822.600111.2T115 R141 G143 A144 F145 K149 Q150 N151T115-Q147 HydrophobicContact CG2-CG 4.17Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.3Å; G143-Q147 WeakPolarHBondContact O-CB 3.24Å; G143-Q147 PolarHBondContact O-N 3.49Å; A144-Q147 WeakPolarHBondContact O-CB 3.33Å; A144-Q147 PolarHBondContact O-N 2.92Å; F145-Q147 VanDerWaalsContact C-N 3.33Å; F145-Q147 PolarHBondContact O-N 3.49Å; Q147-K149 VanDerWaalsContact C-N 3.35Å; Q147-K149 PolarHBondContact O-N 2.91Å; Q147-Q150 PolarHBondContact O-N 2.85Å; Q147-N151 PolarHBondContact O-N 3.21Å; Q147-N151 VanDerWaalsContact O-N 3.1Å
148L96.1Very high93Very high0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-62-44.4178.4-175.1144.8000110.8T115 L134 C136 A144 F145 Q150 N151 A152 F159 D190T115-L148 HydrophobicContact CG2-CB 3.89Å; T115-L148 HydrophobicContact CG2-CD1 4.44Å; T115-L148 HydrophobicContact CG2-CG 4.49Å; L134-L148 HydrophobicContact CB-CD1 4.39Å; L134-L148 HydrophobicContact CB-CD2 3.88Å; L134-L148 HydrophobicContact CB-CG 4.42Å; L134-L148 HydrophobicContact CD1-CD2 4.46Å; C136-L148 HydrophobicContact CB-CB 4.34Å; C136-L148 HydrophobicContact CB-CD1 3.84Å; C136-L148 HydrophobicContact CB-CD2 4.21Å; C136-L148 HydrophobicContact CB-CG 4.35Å; A144-L148 PolarHBondContact O-N 3.07Å; F145-L148 PolarHBondContact O-N 3.39Å; L148-Q150 PolarHBondContact O-N 3.26Å; L148-N151 PolarHBondContact O-N 3.17Å; L148-A152 VanDerWaalsContact O-CB 3.23Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.1Å; L148-F159 HydrophobicContact CD2-CB 3.81Å; L148-D190 HydrophobicContact CD1-CB 3.71Å
149K96.2Very high93.2Very high74 Ų7465.1 Ų65.132%0.32233%0.331SS..Hα-helixtrans-58.2-45176.8173.4172.1-179.1-174.50112.6F145 D146 Q147 A152 T153 F159 Y163F145-K149 WeakPolarHBondContact O-CB 2.77Å; F145-K149 PolarHBondContact O-N 2.98Å; D146-K149 PolarHBondContact O-N 3.35Å; Q147-K149 VanDerWaalsContact C-N 3.35Å; Q147-K149 PolarHBondContact O-N 2.91Å; K149-A152 PolarHBondContact O-N 3.29Å; K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.34Å; K149-T153 PolarHBondContact O-N 3.23Å; K149-T153 PolarHBondContact O-OG1 2.87Å; K149-F159 HydrophobicContact CB-CD2 4.28Å; K149-F159 HydrophobicContact CB-CE2 4.07Å; K149-F159 HydrophobicContact CB-CZ 4.35Å; K149-F159 HydrophobicContact CD-CE2 3.86Å; K149-F159 HydrophobicContact CD-CZ 3.97Å; K149-F159 HydrophobicContact CG-CD2 4.34Å; K149-F159 HydrophobicContact CG-CE1 4.13Å; K149-F159 HydrophobicContact CG-CE2 3.67Å; K149-F159 HydrophobicContact CG-CZ 3.56Å; K149-Y163 PolarHBondContact NZ-OH 3.21Å
150Q95.8Very high93.6Very high114 Ų11465.2 Ų65.253%0.53333%0.327SS..Hα-helixtrans-63.4-43.3176.9-75.1176.14200111.7D146 Q147 L148 T153 K154D146-Q150 WeakPolarHBondContact O-CB 3.24Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.22Å; D146-Q150 PolarHBondContact O-N 3.3Å; Q147-Q150 PolarHBondContact O-N 2.85Å; L148-Q150 PolarHBondContact O-N 3.26Å; Q150-T153 PolarHBondContact O-N 3.4Å; Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.23Å; Q150-K154 PolarHBondContact O-N 3.13Å
151N94.6Very high93.9Very high33 Ų3360.3 Ų60.318%0.17631%0.31CS..Hα-helixtrans-66.2-45.8178-68.8-14.7000111.7S119 Q147 L148 T153 K154 A155S119-N151 WeakPolarHBondContact OG-CB 3.45Å; Q147-N151 PolarHBondContact O-N 3.21Å; Q147-N151 VanDerWaalsContact O-N 3.1Å; L148-N151 PolarHBondContact O-N 3.17Å; N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 3.27Å; N151-K154 PolarHBondContact O-N 3.04Å; N151-A155 WeakPolarHBondContact O-CB 3.42Å; N151-A155 PolarHBondContact O-N 3.09Å
152A95.3Very high94.1Very high0 Ų057.5 Ų57.50%031%0.306CS..Hα-helixtrans-59.4-42.6176.700000111.7L134 L148 K149 A155 R156 I157 F159L134-A152 HydrophobicContact CD1-CB 3.8Å; L148-A152 VanDerWaalsContact O-CB 3.23Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.1Å; K149-A152 PolarHBondContact O-N 3.29Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 2.84Å; A152-R156 PolarHBondContact O-N 3.44Å; A152-I157 WeakPolarHBondContact CB-O 3.48Å; A152-I157 PolarHBondContact O-N 3.02Å; A152-F159 HydrophobicContact CB-CB 3.8Å; A152-F159 HydrophobicContact CB-CD1 3.62Å; A152-F159 HydrophobicContact CB-CG 4Å
153T95.2Very high94.1Very high87 Ų8759.3 Ų59.353%0.53429%0.292SS..Hα-helixtrans-64.2-44.8177.3-57.40000111.6K149 Q150 N151 A155 R156K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.34Å; K149-T153 PolarHBondContact O-N 3.23Å; K149-T153 PolarHBondContact O-OG1 2.87Å; Q150-T153 PolarHBondContact O-N 3.4Å; N151-T153 VanDerWaalsContact C-N 3.32Å; N151-T153 PolarHBondContact O-N 3.27Å; T153-A155 PolarHBondContact O-N 3.35Å; T153-R156 PolarHBondContact O-N 3.38Å; T153-R156 VanDerWaalsContact O-N 3.15Å
154K91.2Very high94.2Very high155 Ų15563.4 Ų63.467%0.67431%0.309SS*.Hα-helixtrans-59-38.9175.2-72.4168.9-174.2172.60111.6Q150 N151 R156Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.23Å; Q150-K154 PolarHBondContact O-N 3.13Å; N151-K154 PolarHBondContact O-N 3.04Å; K154-R156 VanDerWaalsContact C-N 3.35Å
155A92.2Very high94.1Very high7 Ų767 Ų676%0.05833%0.325CS..Hα-helixtrans-80.9-12.2179.800000114.2Y123 Q126 N151 A152 T153 I157 I279Y123-A155 HydrophobicContact CD2-CB 4.35Å; Q126-A155 PolarHBondContact OE1-O 3.48Å; Q126-A155 VanDerWaalsContact OE1-O 3.13Å; N151-A155 WeakPolarHBondContact O-CB 3.42Å; N151-A155 PolarHBondContact O-N 3.09Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 2.84Å; T153-A155 PolarHBondContact O-N 3.35Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 HydrophobicContact CB-CB 4.31Å; A155-I157 HydrophobicContact CB-CD1 3.42Å; A155-I157 VanDerWaalsContact CB-CD1 3.42Å; A155-I157 HydrophobicContact CB-CG1 3.62Å; A155-I279 HydrophobicContact CB-CD1 3.27Å
156R94.6Very high93.9Very high215 Ų21573.2 Ų73.281%0.81136%0.357SS*.THydrogen-bonded Turntrans56.245.8-168.5-51.8-179.8-178.2-173.4-0.2112.5Q126 A152 T153 K154Q126-R156 PolarHBondContact NE2-O 2.88Å; A152-R156 PolarHBondContact O-N 3.44Å; T153-R156 PolarHBondContact O-N 3.38Å; T153-R156 VanDerWaalsContact O-N 3.15Å; K154-R156 VanDerWaalsContact C-N 3.35Å
157I96.7Very high93.7Very high5 Ų573.5 Ų73.53%0.02636%0.358CS..  trans-110.9129.8179-60.6171.7000108.4A122 L134 A152 A155A122-I157 HydrophobicContact CB-CD1 3.56Å; A122-I157 HydrophobicContact CB-CG2 4.16Å; L134-I157 HydrophobicContact CD1-CG2 4.17Å; L134-I157 HydrophobicContact CG-CG2 3.97Å; A152-I157 WeakPolarHBondContact CB-O 3.48Å; A152-I157 PolarHBondContact O-N 3.02Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 HydrophobicContact CB-CB 4.31Å; A155-I157 HydrophobicContact CB-CD1 3.42Å; A155-I157 VanDerWaalsContact CB-CD1 3.42Å; A155-I157 HydrophobicContact CB-CG1 3.62Å
158P97.3Very high93.6Very high55 Ų5570.3 Ų70.336%0.35734%0.343SS..  trans-57.8139.3172.8-27.738.2000111.9C133 L134 F179 F184C133-P158 WeakPolarHBondContact CA-O 3.5Å; C133-P158 HydrophobicContact CB-CB 4.46Å; L134-P158 PolarHBondContact N-O 3.37Å; P158-F179 HydrophobicContact CB-CE1 4.11Å; P158-F179 HydrophobicContact CB-CZ 4.42Å; P158-F184 HydrophobicContact CB-CE1 4.2Å; P158-F184 HydrophobicContact CB-CZ 4.04Å; P158-F184 HydrophobicContact CG-CE1 3.79Å; P158-F184 HydrophobicContact CG-CZ 3.73Å
159F96.9Very high93.5Very high65 Ų6571.6 Ų71.629%0.28535%0.351SS..EExtended strand (participates in β ladder)trans-131.3151.8-179.161.2-89.4000111.7L134 F145 L148 K149 A152L134-F159 HydrophobicContact CB-CB 4.38Å; L134-F159 CarbonylContact O-C 3.58Å; L134-F159 WeakPolarHBondContact O-CA 3.42Å; F145-F159 AromaticContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CE2 4.38Å; F145-F159 HydrophobicContact CZ-CD2 4.1Å; F145-F159 HydrophobicContact CZ-CE2 4.14Å; L148-F159 HydrophobicContact CD2-CB 3.81Å; K149-F159 HydrophobicContact CB-CD2 4.28Å; K149-F159 HydrophobicContact CB-CE2 4.07Å; K149-F159 HydrophobicContact CB-CZ 4.35Å; K149-F159 HydrophobicContact CD-CE2 3.86Å; K149-F159 HydrophobicContact CD-CZ 3.97Å; K149-F159 HydrophobicContact CG-CD2 4.34Å; K149-F159 HydrophobicContact CG-CE1 4.13Å; K149-F159 HydrophobicContact CG-CE2 3.67Å; K149-F159 HydrophobicContact CG-CZ 3.56Å; A152-F159 HydrophobicContact CB-CB 3.8Å; A152-F159 HydrophobicContact CB-CD1 3.62Å; A152-F159 HydrophobicContact CB-CG 4Å
160Y97.3Very high93.5Very high46 Ų4670.3 Ų70.318%0.1835%0.349CS..EExtended strand (participates in β ladder)trans-129.3148.8172.9-173.3-98.2000110.3L134 I135 C136 I171 E174 K178L134-Y160 PolarHBondContact O-N 3.22Å; I135-Y160 WeakPolarHBondContact CA-O 3.25Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; C136-Y160 PolarHBondContact N-O 3.43Å; Y160-I171 HydrophobicContact CD1-CG2 4.16Å; Y160-I171 HydrophobicContact CE1-CG2 4.03Å; Y160-I171 VanDerWaalsContact CE1-O 3.31Å; Y160-I171 WeakPolarHBondContact CE1-O 3.45Å; Y160-E174 HydrophobicContact CE1-CB 4.22Å; Y160-E174 WeakPolarHBondContact OH-CB 3.29Å; Y160-E174 PolarHBondContact OH-OE2 2.62Å; Y160-K178 HydrophobicContact CD2-CD 3.9Å; Y160-K178 HydrophobicContact CE2-CD 4.08Å
161G93.3Very high93.4Very high17 Ų1765 Ų6518%0.17532%0.324CS..  trans168.2170.1176.500000109.6
162S90.8Very high93.5Very high37 Ų3763.4 Ų63.426%0.25932%0.316SS..  trans-128.3144.4-176.1-171.20000110.8T164 E165S162-T164 PolarHBondContact OG-N 3.3Å; S162-T164 PolarHBondContact OG-OG1 3.38Å; S162-E165 WeakPolarHBondContact OG-CB 3.35Å; S162-E165 PolarHBondContact OG-N 3.21Å
163Y88.3Confident93.5Very high139 Ų13965.1 Ų65.155%0.54533%0.33SS..SBendtrans-91.5-16.2169.7-68.6-77.9000112.2F145 D146 K149F145-Y163 AromaticContact CD1-CD1 3.93Å; F145-Y163 HydrophobicContact CD1-CD1 3.93Å; F145-Y163 AromaticContact CD1-CD2 3.99Å; F145-Y163 HydrophobicContact CD1-CD2 3.99Å; F145-Y163 AromaticContact CD1-CE1 3.6Å; F145-Y163 HydrophobicContact CD1-CE1 3.6Å; F145-Y163 AromaticContact CD1-CE2 3.66Å; F145-Y163 HydrophobicContact CD1-CE2 3.66Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.45Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F145-Y163 AromaticContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CE1 4.21Å; F145-Y163 AromaticContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CG 4.38Å; F145-Y163 AromaticContact CE1-CZ 3.6Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.2Å; D146-Y163 PolarHBondContact OD1-OH 3.28Å; K149-Y163 PolarHBondContact NZ-OH 3.21Å
164T89.8Confident93.6Very high128 Ų12865.3 Ų65.379%0.78533%0.325SS*.SBendtrans-113.1-30.5-171.2540000113S162S162-T164 PolarHBondContact OG-N 3.3Å; S162-T164 PolarHBondContact OG-OG1 3.38Å
165E91.3Very high93.8Very high76 Ų7658 Ų5836%0.35529%0.293SS..  trans-77.5131.6177.5-174.751.3-10100109.5S162 D167 V170 I171S162-E165 WeakPolarHBondContact OG-CB 3.35Å; S162-E165 PolarHBondContact OG-N 3.21Å; E165-D167 PolarHBondContact OE1-N 3.01Å; E165-V170 HydrophobicContact CG-CB 4.22Å; E165-V170 HydrophobicContact CG-CG1 4.23Å; E165-I171 HydrophobicContact CB-CD1 3.96Å; E165-I171 HydrophobicContact CB-CG1 3.82Å; E165-I171 HydrophobicContact CG-CD1 4.01Å; E165-I171 HydrophobicContact CG-CG1 3.58Å
166M88.6Confident94Very high156 Ų15657.8 Ų57.877%0.76829%0.291SS*.  trans-102.9-20.9-179.5-63.5-155.6-59.600112.2T139 P168T139-M166 WeakPolarHBondContact CB-O 3.49Å; T139-M166 WeakPolarHBondContact CG2-O 2.99Å; T139-M166 PolarHBondContact OG1-O 3.05Å; M166-P168 VanDerWaalsContact O-CD 3.32Å; M166-P168 WeakPolarHBondContact O-CD 3.48Å
167D91Very high94.1Very high67 Ų6753.3 Ų53.336%0.35828%0.28SS..  trans-81.7112.4178.6-170.5-17.2000111.2E165 V169 V170 I171E165-D167 PolarHBondContact OE1-N 3.01Å; D167-V169 PolarHBondContact O-N 3.33Å; D167-V169 VanDerWaalsContact OD1-CB 3.24Å; D167-V169 WeakPolarHBondContact OD1-CB 3.28Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-V169 PolarHBondContact OD1-N 3.11Å; D167-V170 HydrophobicContact CB-CB 4.31Å; D167-V170 HydrophobicContact CB-CG2 3.94Å; D167-V170 PolarHBondContact O-N 3.19Å; D167-I171 WeakPolarHBondContact O-CG1 2.99Å; D167-I171 PolarHBondContact O-N 2.93Å
168P92.7Very high94.1Very high1 Ų157.3 Ų57.31%0.00630%0.297CS..Hα-helixtrans-67.7-21.9179.228.9-33.9000113A137 T139 M166 A172 E204 V208A137-P168 HydrophobicContact CB-CB 4.24Å; A137-P168 WeakPolarHBondContact O-CB 3.18Å; T139-P168 HydrophobicContact CG2-CB 4.39Å; M166-P168 VanDerWaalsContact O-CD 3.32Å; M166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-A172 WeakPolarHBondContact O-CB 3.41Å; P168-A172 PolarHBondContact O-N 3.35Å; P168-E204 HydrophobicContact CG-CG 3.74Å; P168-E204 WeakPolarHBondContact CG-OE1 3.22Å; P168-V208 HydrophobicContact CB-CG2 4.22Å; P168-V208 HydrophobicContact CG-CG2 4.29Å
169V94.8Very high94Very high27 Ų2754.9 Ų54.916%0.16428%0.28CS..Hα-helixtrans-67.1-46177.6-175.60000109.9D167 A172 A173 Q207 V208 A211D167-V169 PolarHBondContact O-N 3.33Å; D167-V169 VanDerWaalsContact OD1-CB 3.24Å; D167-V169 WeakPolarHBondContact OD1-CB 3.28Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-V169 PolarHBondContact OD1-N 3.11Å; V169-A172 PolarHBondContact O-N 2.99Å; V169-A173 VanDerWaalsContact O-CB 3.3Å; V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 2.83Å; V169-Q207 HydrophobicContact CG2-CB 3.88Å; V169-V208 HydrophobicContact CB-CG2 4.47Å; V169-V208 HydrophobicContact CG2-CG2 3.78Å; V169-A211 HydrophobicContact CG1-CB 3.62Å
170V95.4Very high93.9Very high47 Ų4755.8 Ų55.829%0.28528%0.284SS..Hα-helixtrans-62.1-50.3177.8177.30000110.2E165 D167 A172 A173 E174E165-V170 HydrophobicContact CG-CB 4.22Å; E165-V170 HydrophobicContact CG-CG1 4.23Å; D167-V170 HydrophobicContact CB-CB 4.31Å; D167-V170 HydrophobicContact CB-CG2 3.94Å; D167-V170 PolarHBondContact O-N 3.19Å; V170-A172 VanDerWaalsContact C-N 3.31Å; V170-A172 PolarHBondContact O-N 3.24Å; V170-A173 PolarHBondContact O-N 3.43Å; V170-E174 HydrophobicContact CG1-CG 4.28Å; V170-E174 WeakPolarHBondContact O-CB 3.45Å; V170-E174 WeakPolarHBondContact O-CG 3.45Å; V170-E174 PolarHBondContact O-N 3.12Å
171I95.3Very high93.8Very high2 Ų259.3 Ų59.31%0.0131%0.306CS..Hα-helixtrans-60.2-42.9-179.3-61.1170.9000111.3I135 C136 T139 Y160 E165 D167 G175I135-I171 HydrophobicContact CG2-CG2 4.48Å; C136-I171 WeakPolarHBondContact O-CG2 3.42Å; T139-I171 HydrophobicContact CG2-CD1 3.35Å; Y160-I171 HydrophobicContact CD1-CG2 4.16Å; Y160-I171 HydrophobicContact CE1-CG2 4.03Å; Y160-I171 VanDerWaalsContact CE1-O 3.31Å; Y160-I171 WeakPolarHBondContact CE1-O 3.45Å; E165-I171 HydrophobicContact CB-CD1 3.96Å; E165-I171 HydrophobicContact CB-CG1 3.82Å; E165-I171 HydrophobicContact CG-CD1 4.01Å; E165-I171 HydrophobicContact CG-CG1 3.58Å; D167-I171 WeakPolarHBondContact O-CG1 2.99Å; D167-I171 PolarHBondContact O-N 2.93Å; I171-G175 PolarHBondContact O-N 3.49Å
172A95.7Very high93.9Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-69.1-43.4-179.200000111.7A137 P168 V169 V170 V176 V189 V208 V212A137-A172 HydrophobicContact CB-CB 4.18Å; P168-A172 WeakPolarHBondContact O-CB 3.41Å; P168-A172 PolarHBondContact O-N 3.35Å; V169-A172 PolarHBondContact O-N 2.99Å; V170-A172 VanDerWaalsContact C-N 3.31Å; V170-A172 PolarHBondContact O-N 3.24Å; A172-V176 WeakPolarHBondContact O-CB 3.43Å; A172-V176 WeakPolarHBondContact O-CG2 3.19Å; A172-V176 PolarHBondContact O-N 3.09Å; A172-V189 HydrophobicContact CB-CG1 4.17Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; A172-V212 HydrophobicContact CB-CG2 3.61Å
173A96.1Very high94Very high36 Ų3664.9 Ų64.930%0.29833%0.332SS..Hα-helixtrans-63.1-51.4178.800000111.9V169 V170 G175 V176 E177V169-A173 VanDerWaalsContact O-CB 3.3Å; V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 2.83Å; V170-A173 PolarHBondContact O-N 3.43Å; A173-G175 PolarHBondContact O-N 2.91Å; A173-V176 PolarHBondContact O-N 3.5Å; A173-E177 WeakPolarHBondContact O-CB 3.47Å; A173-E177 PolarHBondContact O-N 3.38Å
174E96.3Very high94.4Very high91 Ų9159.4 Ų59.443%0.42531%0.311SS..Hα-helixtrans-63.3-41.6178.9-69.4-180167.100112.1Y160 V170 V176 E177 K178Y160-E174 HydrophobicContact CE1-CB 4.22Å; Y160-E174 WeakPolarHBondContact OH-CB 3.29Å; Y160-E174 PolarHBondContact OH-OE2 2.62Å; V170-E174 HydrophobicContact CG1-CG 4.28Å; V170-E174 WeakPolarHBondContact O-CB 3.45Å; V170-E174 WeakPolarHBondContact O-CG 3.45Å; V170-E174 PolarHBondContact O-N 3.12Å; E174-V176 PolarHBondContact O-N 3.48Å; E174-E177 PolarHBondContact O-N 2.82Å; E174-K178 VanDerWaalsContact O-CB 3.29Å; E174-K178 WeakPolarHBondContact O-CB 3.42Å; E174-K178 PolarHBondContact O-N 2.71Å
175G95.8Very high94.7Very high0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-62.8-43178.100000112I171 A173 F179I171-G175 PolarHBondContact O-N 3.49Å; A173-G175 PolarHBondContact O-N 2.91Å; G175-F179 WeakPolarHBondContact O-CD2 3.42Å; G175-F179 PolarHBondContact O-N 3.13Å; G175-F179 VanDerWaalsContact O-N 3.11Å
176V96.2Very high95Very high4 Ų451.1 Ų51.12%0.02426%0.264CS..Hα-helixtrans-66.8-43.8177.8170.50000110.4V103 I135 A172 A173 E174 F179 K180 I187 V189 V212V103-V176 HydrophobicContact CG1-CG2 4.23Å; V103-V176 HydrophobicContact CG2-CG1 4.15Å; I135-V176 HydrophobicContact CD1-CB 4.4Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; A172-V176 WeakPolarHBondContact O-CB 3.43Å; A172-V176 WeakPolarHBondContact O-CG2 3.19Å; A172-V176 PolarHBondContact O-N 3.09Å; A173-V176 PolarHBondContact O-N 3.5Å; E174-V176 PolarHBondContact O-N 3.48Å; V176-F179 PolarHBondContact O-N 3.47Å; V176-K180 HydrophobicContact CG1-CD 3.9Å; V176-K180 HydrophobicContact CG1-CG 4.29Å; V176-K180 WeakPolarHBondContact O-CB 3.48Å; V176-K180 VanDerWaalsContact O-CG 3.24Å; V176-K180 WeakPolarHBondContact O-CG 3.28Å; V176-K180 PolarHBondContact O-N 2.86Å; V176-I187 HydrophobicContact CG2-CG2 4.05Å; V176-V189 HydrophobicContact CG2-CG2 4.1Å; V176-V212 HydrophobicContact CG1-CG1 4.49Å; V176-V212 HydrophobicContact CG2-CB 4.47Å; V176-V212 HydrophobicContact CG2-CG1 3.65Å; V176-V212 HydrophobicContact CG2-CG2 4.09Å
177E96.6Very high95.4Very high121 Ų12143.7 Ų43.757%0.56523%0.227SC*.Hα-helixtrans-61.5-47.4177.3-173.3177.2-17800111.8A173 E174 F179 K180 N181A173-E177 WeakPolarHBondContact O-CB 3.47Å; A173-E177 PolarHBondContact O-N 3.38Å; E174-E177 PolarHBondContact O-N 2.82Å; E177-F179 PolarHBondContact O-N 3.25Å; E177-K180 PolarHBondContact O-N 3.07Å; E177-N181 VanDerWaalsContact O-CG 3.24Å; E177-N181 PolarHBondContact O-N 3.18Å; E177-N181 PolarHBondContact O-ND2 3.14Å
178K96.6Very high95.8Very high88 Ų8840.5 Ų40.538%0.38321%0.21SC..Hα-helixtrans-54.5-51.3176.3179.6-179.4178.1179.20111.7Y160 E174 N181 E182Y160-K178 HydrophobicContact CD2-CD 3.9Å; Y160-K178 HydrophobicContact CE2-CD 4.08Å; E174-K178 VanDerWaalsContact O-CB 3.29Å; E174-K178 WeakPolarHBondContact O-CB 3.42Å; E174-K178 PolarHBondContact O-N 2.71Å; K178-N181 PolarHBondContact O-N 3.42Å; K178-E182 WeakPolarHBondContact CE-OE1 2.95Å; K178-E182 PolarHBondContact O-N 2.92Å
179F96.3Very high96Very high4 Ų440.4 Ų40.42%0.01821%0.21CC..Hα-helixtrans-75.2-25.4-177.2-70.2-51.8000113.5C133 I135 P158 G175 V176 E177 E182 S183 F184 I187C133-F179 HydrophobicContact CB-CD1 3.77Å; C133-F179 HydrophobicContact CB-CD2 3.78Å; C133-F179 HydrophobicContact CB-CE1 3.74Å; C133-F179 HydrophobicContact CB-CE2 3.72Å; C133-F179 HydrophobicContact CB-CG 3.81Å; C133-F179 HydrophobicContact CB-CZ 3.71Å; C133-F179 VanDerWaalsContact SG-CB 3.58Å; C133-F179 WeakPolarHBondContact SG-CD2 3.47Å; C133-F179 WeakPolarHBondContact SG-CG 3.37Å; I135-F179 HydrophobicContact CD1-CD2 4.07Å; I135-F179 HydrophobicContact CD1-CE2 4.48Å; I135-F179 HydrophobicContact CG1-CD2 3.91Å; I135-F179 HydrophobicContact CG1-CE2 3.82Å; P158-F179 HydrophobicContact CB-CE1 4.11Å; P158-F179 HydrophobicContact CB-CZ 4.42Å; G175-F179 WeakPolarHBondContact O-CD2 3.42Å; G175-F179 PolarHBondContact O-N 3.13Å; G175-F179 VanDerWaalsContact O-N 3.11Å; V176-F179 PolarHBondContact O-N 3.47Å; E177-F179 PolarHBondContact O-N 3.25Å; F179-E182 PolarHBondContact O-N 3.39Å; F179-S183 PolarHBondContact O-N 2.94Å; F179-F184 HydrophobicContact CB-CB 4.1Å; F179-F184 HydrophobicContact CB-CD2 4.11Å; F179-F184 HydrophobicContact CB-CG 4.27Å; F179-F184 AromaticContact CD1-CD2 3.61Å; F179-F184 HydrophobicContact CD1-CD2 3.61Å; F179-F184 AromaticContact CD1-CE2 3.71Å; F179-F184 HydrophobicContact CD1-CE2 3.71Å; F179-F184 HydrophobicContact CD1-CG 4.11Å; F179-F184 HydrophobicContact CD1-CZ 4.3Å; F179-F184 HydrophobicContact CE1-CE2 4.22Å; F179-F184 HydrophobicContact CE1-CZ 4.45Å; F179-F184 HydrophobicContact CG-CD2 4.27Å; F179-F184 WeakPolarHBondContact O-CB 3.32Å; F179-F184 PolarHBondContact O-N 3.34Å; F179-I187 HydrophobicContact CB-CD1 4.02Å; F179-I187 HydrophobicContact CB-CG1 4.22Å
180K94.3Very high96.1Very high85 Ų8539.2 Ų39.237%0.3720%0.202SC..Hα-helixtrans-61.5-46.8167-80.1177.8176.6176.10110.7N101 V176 E177 E182 S183 I187N101-K180 HydrophobicContact CB-CG 4.02Å; V176-K180 HydrophobicContact CG1-CD 3.9Å; V176-K180 HydrophobicContact CG1-CG 4.29Å; V176-K180 WeakPolarHBondContact O-CB 3.48Å; V176-K180 VanDerWaalsContact O-CG 3.24Å; V176-K180 WeakPolarHBondContact O-CG 3.28Å; V176-K180 PolarHBondContact O-N 2.86Å; E177-K180 PolarHBondContact O-N 3.07Å; K180-E182 VanDerWaalsContact C-N 3.33Å; K180-E182 PolarHBondContact O-N 2.59Å; K180-S183 PolarHBondContact O-N 2.99Å; K180-I187 HydrophobicContact CG-CD1 3.92Å
181N95.2Very high96Very high120 Ų12037 Ų3764%0.64219%0.189SC*.Hα-helixtrans-64.3-36.3178.4-66.2-23.5000112.5E177 K178 S183E177-N181 VanDerWaalsContact O-CG 3.24Å; E177-N181 PolarHBondContact O-N 3.18Å; E177-N181 PolarHBondContact O-ND2 3.14Å; K178-N181 PolarHBondContact O-N 3.42Å; N181-S183 PolarHBondContact O-N 3.32Å
182E94.8Very high95.6Very high94 Ų9437 Ų3744%0.43919%0.189SC..THydrogen-bonded Turntrans-79.25.5175.2-66.4177.9-158.300113.7K178 F179 K180 F184K178-E182 WeakPolarHBondContact CE-OE1 2.95Å; K178-E182 PolarHBondContact O-N 2.92Å; F179-E182 PolarHBondContact O-N 3.39Å; K180-E182 VanDerWaalsContact C-N 3.33Å; K180-E182 PolarHBondContact O-N 2.59Å; E182-F184 HydrophobicContact CB-CD2 3.67Å; E182-F184 HydrophobicContact CB-CE2 3.63Å; E182-F184 PolarHBondContact O-N 3.01Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.4Å
183S93.8Very high94.9Very high77 Ų7738.1 Ų38.154%0.53820%0.2SC..THydrogen-bonded Turntrans59.640.8178.1-55.20000114.1F179 K180 N181F179-S183 PolarHBondContact O-N 2.94Å; K180-S183 PolarHBondContact O-N 2.99Å; N181-S183 PolarHBondContact O-N 3.32Å
184F95.9Very high94Very high24 Ų2436.5 Ų36.511%0.10519%0.186CC..  trans-76.2137.3169.3-78.4-98000111.2N101 K131 T132 C133 P158 F179 E182 I187N101-F184 PolarHBondContact ND2-O 2.76Å; K131-F184 HydrophobicContact CB-CD1 3.99Å; K131-F184 HydrophobicContact CB-CE1 4.46Å; T132-F184 WeakPolarHBondContact O-CD1 3.2Å; T132-F184 VanDerWaalsContact O-CE1 3.26Å; T132-F184 WeakPolarHBondContact O-CE1 3.45Å; C133-F184 HydrophobicContact CB-CD1 3.67Å; C133-F184 HydrophobicContact CB-CE1 3.97Å; C133-F184 HydrophobicContact CB-CG 4.13Å; P158-F184 HydrophobicContact CB-CE1 4.2Å; P158-F184 HydrophobicContact CB-CZ 4.04Å; P158-F184 HydrophobicContact CG-CE1 3.79Å; P158-F184 HydrophobicContact CG-CZ 3.73Å; F179-F184 HydrophobicContact CB-CB 4.1Å; F179-F184 HydrophobicContact CB-CD2 4.11Å; F179-F184 HydrophobicContact CB-CG 4.27Å; F179-F184 AromaticContact CD1-CD2 3.61Å; F179-F184 HydrophobicContact CD1-CD2 3.61Å; F179-F184 AromaticContact CD1-CE2 3.71Å; F179-F184 HydrophobicContact CD1-CE2 3.71Å; F179-F184 HydrophobicContact CD1-CG 4.11Å; F179-F184 HydrophobicContact CD1-CZ 4.3Å; F179-F184 HydrophobicContact CE1-CE2 4.22Å; F179-F184 HydrophobicContact CE1-CZ 4.45Å; F179-F184 HydrophobicContact CG-CD2 4.27Å; F179-F184 WeakPolarHBondContact O-CB 3.32Å; F179-F184 PolarHBondContact O-N 3.34Å; E182-F184 HydrophobicContact CB-CD2 3.67Å; E182-F184 HydrophobicContact CB-CE2 3.63Å; E182-F184 PolarHBondContact O-N 3.01Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.4Å; F184-I187 HydrophobicContact CB-CG1 4.32Å
185E96Very high92.9Very high29 Ų2935.7 Ų35.714%0.13618%0.182CC..SBendtrans-91.4-30.3-175.3-59.3-179.4119.800112.3K98 G99 K100 N102 W130 K131K98-E185 VanDerWaalsContact CD-OE1 3.24Å; K98-E185 WeakPolarHBondContact CD-OE1 3.22Å; K98-E185 IonicContact NZ-OE1 3.88Å; K98-E185 IonicContact NZ-OE2 3.43Å; K98-E185 PolarHBondContact NZ-OE2 3.47Å; G99-E185 PolarHBondContact N-OE1 2.91Å; K100-E185 WeakPolarHBondContact O-CA 3.47Å; N102-E185 WeakPolarHBondContact CA-O 3.39Å; N102-E185 VanDerWaalsContact CB-O 3.29Å; N102-E185 WeakPolarHBondContact CB-O 3.46Å; N102-E185 PolarHBondContact N-O 3.29Å; N102-E185 PolarHBondContact ND2-O 3.48Å; W130-E185 WeakPolarHBondContact CA-OE2 3.47Å; W130-E185 HydrophobicContact CE3-CB 3.77Å; W130-E185 HydrophobicContact CZ3-CB 4.31Å; K131-E185 PolarHBondContact N-OE2 3.21Å; K131-E185 PolarHBondContact O-N 3.1Å
186I97.7Very high91.4Very high0 Ų039.7 Ų39.70%020%0.2CC..EExtended strand (participates in β ladder)trans-125107.8-178.6-55.9-68.9000108.2P96 N102 L104 Y125 W130 K131 T132 C133 I188P96-I186 HydrophobicContact CB-CD1 3.58Å; P96-I186 HydrophobicContact CG-CD1 4.16Å; N102-I186 HydrophobicContact CB-CD1 4.14Å; L104-I186 HydrophobicContact CD1-CG2 4.01Å; Y125-I186 HydrophobicContact CD2-CG2 4.19Å; Y125-I186 HydrophobicContact CG-CG1 4.37Å; W130-I186 HydrophobicContact CB-CG1 3.93Å; W130-I186 HydrophobicContact CD2-CD1 4.22Å; W130-I186 HydrophobicContact CD2-CG1 4.11Å; W130-I186 HydrophobicContact CE3-CD1 3.72Å; W130-I186 HydrophobicContact CE3-CG1 3.77Å; W130-I186 HydrophobicContact CG-CG1 4.22Å; W130-I186 HydrophobicContact CZ3-CD1 4.06Å; K131-I186 PolarHBondContact O-N 2.92Å; T132-I186 CarbonylContact C-O 3.6Å; T132-I186 WeakPolarHBondContact CA-O 3.37Å; T132-I186 HydrophobicContact CG2-CB 3.87Å; T132-I186 HydrophobicContact CG2-CG1 4.19Å; T132-I186 HydrophobicContact CG2-CG2 4.28Å; C133-I186 PolarHBondContact N-O 2.85Å; I186-I188 HydrophobicContact CG2-CD1 4.19Å; I186-I188 HydrophobicContact CG2-CG1 3.91Å
187I98Very high90Very high0 Ų046.8 Ų46.80%023%0.233CC..EExtended strand (participates in β ladder)trans-109.6112.7-178.6-53.4177.4000107.7N101 N102 V103 L104 I135 V176 F179 K180 F184N101-I187 HydrophobicContact CB-CD1 4.28Å; N102-I187 PolarHBondContact O-N 3.01Å; V103-I187 CarbonylContact C-O 3.46Å; V103-I187 WeakPolarHBondContact CA-O 3.36Å; V103-I187 HydrophobicContact CG2-CB 4.34Å; V103-I187 HydrophobicContact CG2-CD1 4.27Å; L104-I187 PolarHBondContact N-O 3.1Å; I135-I187 HydrophobicContact CD1-CG2 3.46Å; I135-I187 VanDerWaalsContact CD1-CG2 3.46Å; I135-I187 HydrophobicContact CG1-CG2 4.37Å; V176-I187 HydrophobicContact CG2-CG2 4.05Å; F179-I187 HydrophobicContact CB-CD1 4.02Å; F179-I187 HydrophobicContact CB-CG1 4.22Å; K180-I187 HydrophobicContact CG-CD1 3.92Å; F184-I187 HydrophobicContact CB-CG1 4.32Å
188I98.1Very high88.9Confident0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-107.8121.9-177.3-51.5-173000110.1L104 F106 C118 L121 A122 C133 L134 I135 I186L104-I188 WeakPolarHBondContact O-CA 3.2Å; F106-I188 HydrophobicContact CD2-CG2 3.61Å; F106-I188 HydrophobicContact CE2-CG2 3.58Å; F106-I188 HydrophobicContact CG-CG2 4.43Å; F106-I188 HydrophobicContact CZ-CG2 4.37Å; C118-I188 HydrophobicContact CB-CG2 3.88Å; L121-I188 HydrophobicContact CB-CD1 4.05Å; L121-I188 HydrophobicContact CD2-CD1 4.12Å; L121-I188 HydrophobicContact CG-CD1 4.15Å; A122-I188 HydrophobicContact CB-CD1 3.77Å; C133-I188 PolarHBondContact O-N 2.91Å; L134-I188 CarbonylContact C-O 3.57Å; L134-I188 HydrophobicContact CD2-CB 3.95Å; L134-I188 HydrophobicContact CD2-CD1 4.34Å; L134-I188 HydrophobicContact CD2-CG2 4.32Å; I135-I188 PolarHBondContact N-O 2.84Å; I186-I188 HydrophobicContact CG2-CD1 4.19Å; I186-I188 HydrophobicContact CG2-CG1 3.91Å
189V97.6Very high88.1Confident0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-100.9112.6177.4-174.70000109.5V103 L104 F106 I135 A137 A172 V176 T191 V212V103-V189 HydrophobicContact CG1-CG2 4.39Å; L104-V189 PolarHBondContact O-N 2.65Å; F106-V189 PolarHBondContact N-O 3.42Å; I135-V189 HydrophobicContact CB-CG2 4.41Å; I135-V189 HydrophobicContact CD1-CG2 4.1Å; A137-V189 HydrophobicContact CB-CG1 4.01Å; A172-V189 HydrophobicContact CB-CG1 4.17Å; V176-V189 HydrophobicContact CG2-CG2 4.1Å; V189-T191 HydrophobicContact CG1-CG2 4.43Å; V189-V212 HydrophobicContact CG2-CG1 4.37Å
190D96.1Very high87.3Confident1 Ų150.9 Ų50.91%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-88.4113.5173.3-173.636.6000109.8K114 T115 C118 I135 A137 D138 L148K114-D190 WeakPolarHBondContact CB-OD1 3.4Å; T115-D190 VanDerWaalsContact CA-OD2 3.28Å; T115-D190 WeakPolarHBondContact CA-OD2 3.14Å; T115-D190 WeakPolarHBondContact CB-OD2 3.22Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.42Å; T115-D190 PolarHBondContact N-OD1 2.99Å; T115-D190 PolarHBondContact OG1-OD2 2.87Å; C118-D190 HydrophobicContact CB-CB 4.44Å; I135-D190 PolarHBondContact O-N 3.18Å; A137-D190 CarbonylContact C-O 3.51Å; A137-D190 WeakPolarHBondContact CA-O 3.47Å; A137-D190 PolarHBondContact N-O 2.87Å; D138-D190 PolarHBondContact N-O 3.21Å; L148-D190 HydrophobicContact CD1-CB 3.71Å
191T93.4Very high86.3Confident1 Ų147.7 Ų47.71%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-96162.5177.178.90000111.9M105 F106 K114 V189M105-T191 HydrophobicContact CE-CG2 3.68Å; M105-T191 HydrophobicContact CG-CG2 4.05Å; F106-T191 WeakPolarHBondContact O-CG2 3.49Å; F106-T191 PolarHBondContact O-OG1 2.93Å; K114-T191 WeakPolarHBondContact CE-O 3.42Å; V189-T191 HydrophobicContact CG1-CG2 4.43Å
192S88.2Confident85.7Confident3 Ų342.2 Ų42.22%0.02122%0.224CC..PPolyproline II helixtrans-54.6154.3166.8600000112.6K114 D138 R194K114-S192 WeakPolarHBondContact CE-O 3.35Å; D138-S192 WeakPolarHBondContact OD1-CA 3.47Å; D138-S192 VanDerWaalsContact OD1-CB 3.25Å; D138-S192 WeakPolarHBondContact OD1-CB 3.44Å; S192-R194 PolarHBondContact OG-NH2 3.2Å
193G79.9Confident85.3Confident22 Ų2241.3 Ų41.323%0.22722%0.22CC..PPolyproline II helixtrans-78.9134.7171.500000111.8G108G108-G193 WeakPolarHBondContact O-CA 3.26Å
194R77.6Confident85Confident2 Ų239.1 Ų39.11%0.00820%0.201CC..  trans-127.5137.4-171.3-54.6177.9-170.3-102-2.6110.1G108 L109 S192 L201 F202 E204 F236G108-R194 PolarHBondContact O-N 2.86Å; L109-R194 VanDerWaalsContact CD2-O 3.28Å; L109-R194 WeakPolarHBondContact CD2-O 3.44Å; S192-R194 PolarHBondContact OG-NH2 3.2Å; R194-L201 HydrophobicContact CB-CB 4.44Å; R194-L201 WeakPolarHBondContact CD-O 3.44Å; R194-L201 HydrophobicContact CG-CB 4.18Å; R194-L201 HydrophobicContact CG-CD1 4.38Å; R194-L201 PolarHBondContact NH1-O 3.42Å; R194-F202 HydrophobicContact CB-CE2 4.43Å; R194-E204 IonicContact CZ-OE2 3.44Å; R194-E204 IonicContact NH1-OE2 2.74Å; R194-E204 PolarHBondContact NH1-OE2 2.63Å; R194-E204 IonicContact NH2-OE2 3.96Å; R194-E204 PolarHBondContact NH2-OE2 3.33Å; R194-F236 HydrophobicContact CB-CZ 4.27Å
195H72.1Confident84.6Confident74 Ų7438 Ų3834%0.34320%0.196SC..  trans-100.7140.3174.2-166.6-97.1000109.7Q197 E198 F202 Q232H195-Q197 PolarHBondContact CE1-OE1 3.27Å; H195-Q197 PolarHBondContact ND1-OE1 3.46Å; H195-Q197 PolarHBondContact O-N 3.02Å; H195-E198 PolarHBondContact O-N 3.04Å; H195-E198 VanDerWaalsContact O-N 3.1Å; H195-F202 WeakPolarHBondContact O-CE2 3.46Å; H195-Q232 PolarHBondContact NE2-NE2 2.99Å
196K64.9Low84.4Confident85 Ų8539 Ų3937%0.3720%0.202SC..THydrogen-bonded Turntrans-54.8-11.7-177.368.3174.5-178.2173.10116.8E198 F202 A235K196-E198 VanDerWaalsContact C-N 3.35Å; K196-F202 VanDerWaalsContact CA-CE2 3.5Å; K196-A235 HydrophobicContact CB-CB 4.05Å
197Q67.2Low84.1Confident152 Ų15244.2 Ų44.271%0.7123%0.227SC*.THydrogen-bonded Turntrans-89.7-4.5-176.9-70.8174.7-39.700112.5H195H195-Q197 PolarHBondContact CE1-OE1 3.27Å; H195-Q197 PolarHBondContact ND1-OE1 3.46Å; H195-Q197 PolarHBondContact O-N 3.02Å
198E73.8Confident83.8Confident95 Ų9544.2 Ų44.244%0.44423%0.227SC..  trans-109.887.3-177.2-67.5-179.2-141.400110.6H195 K196 S200 L201 F202H195-E198 PolarHBondContact O-N 3.04Å; H195-E198 VanDerWaalsContact O-N 3.1Å; K196-E198 VanDerWaalsContact C-N 3.35Å; E198-S200 PolarHBondContact O-N 3.12Å; E198-L201 HydrophobicContact CB-CB 4.18Å; E198-L201 HydrophobicContact CB-CD1 4.2Å; E198-L201 HydrophobicContact CB-CG 4.15Å; E198-L201 PolarHBondContact O-N 2.84Å; E198-L201 VanDerWaalsContact O-N 3.15Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.3Å; E198-L201 WeakPolarHBondContact OE2-CG 3.44Å; E198-F202 PolarHBondContact O-N 3.04Å; E198-F202 VanDerWaalsContact O-N 3.16Å
199D78.3Confident83.6Confident114 Ų11444.9 Ų44.961%0.6123%0.232SC*.Hα-helixtrans-58.2-36.6-178.8-69.3-29.4000112.4L201 F202 E203D199-L201 VanDerWaalsContact C-N 3.32Å; D199-L201 PolarHBondContact O-N 3.4Å; D199-F202 PolarHBondContact O-N 3.29Å; D199-F202 VanDerWaalsContact O-N 3.12Å; D199-E203 PolarHBondContact O-N 3.1Å
200S79.9Confident83.5Confident90 Ų9049.8 Ų49.863%0.62926%0.258SS*.Hα-helixtrans-59.4-41.517751.50000112.4E198 E203 E204E198-S200 PolarHBondContact O-N 3.12Å; S200-E203 PolarHBondContact O-N 3.13Å; S200-E204 PolarHBondContact O-N 2.97Å; S200-E204 VanDerWaalsContact O-N 3.14Å
201L74.1Confident83.4Confident18 Ų1852 Ų529%0.09428%0.277CS..Hα-helixtrans-72.8-32175.9-66.2-171.5000111.5F140 R194 E198 D199 E203 M205F140-L201 HydrophobicContact CE1-CD2 4.01Å; F140-L201 HydrophobicContact CE2-CD2 4.01Å; F140-L201 HydrophobicContact CZ-CD2 3.63Å; R194-L201 HydrophobicContact CB-CB 4.44Å; R194-L201 WeakPolarHBondContact CD-O 3.44Å; R194-L201 HydrophobicContact CG-CB 4.18Å; R194-L201 HydrophobicContact CG-CD1 4.38Å; R194-L201 PolarHBondContact NH1-O 3.42Å; E198-L201 HydrophobicContact CB-CB 4.18Å; E198-L201 HydrophobicContact CB-CD1 4.2Å; E198-L201 HydrophobicContact CB-CG 4.15Å; E198-L201 PolarHBondContact O-N 2.84Å; E198-L201 VanDerWaalsContact O-N 3.15Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.3Å; E198-L201 WeakPolarHBondContact OE2-CG 3.44Å; D199-L201 VanDerWaalsContact C-N 3.32Å; D199-L201 PolarHBondContact O-N 3.4Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.85Å; L201-M205 PolarHBondContact O-N 3.21Å; L201-M205 VanDerWaalsContact O-N 3.09Å
202F82.2Confident83.4Confident5 Ų552.3 Ų52.32%0.02228%0.278CS..Hα-helixtrans-65.9-37.4174.4-89.5-97.5000112.2R194 H195 K196 E198 D199 M205 L206 F236 K239R194-F202 HydrophobicContact CB-CE2 4.43Å; H195-F202 WeakPolarHBondContact O-CE2 3.46Å; K196-F202 VanDerWaalsContact CA-CE2 3.5Å; E198-F202 PolarHBondContact O-N 3.04Å; E198-F202 VanDerWaalsContact O-N 3.16Å; D199-F202 PolarHBondContact O-N 3.29Å; D199-F202 VanDerWaalsContact O-N 3.12Å; F202-M205 HydrophobicContact CD1-CE 3.59Å; F202-M205 HydrophobicContact CE1-CE 3.82Å; F202-M205 HydrophobicContact CG-CE 4.39Å; F202-M205 WeakPolarHBondContact O-CB 3.49Å; F202-M205 PolarHBondContact O-N 3.31Å; F202-L206 PolarHBondContact O-N 3.44Å; F202-F236 AromaticContact CE1-CD1 3.87Å; F202-F236 HydrophobicContact CE1-CD1 3.87Å; F202-F236 HydrophobicContact CE1-CD2 4.39Å; F202-F236 AromaticContact CE1-CE1 3.99Å; F202-F236 HydrophobicContact CE1-CE1 3.99Å; F202-F236 HydrophobicContact CE1-CE2 4.49Å; F202-F236 HydrophobicContact CE1-CG 4.08Å; F202-F236 HydrophobicContact CE1-CZ 4.3Å; F202-F236 HydrophobicContact CE2-CZ 4.43Å; F202-F236 HydrophobicContact CZ-CD1 4.1Å; F202-F236 HydrophobicContact CZ-CD2 4.1Å; F202-F236 AromaticContact CZ-CE1 3.83Å; F202-F236 HydrophobicContact CZ-CE1 3.83Å; F202-F236 AromaticContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CG 4.22Å; F202-F236 AromaticContact CZ-CZ 3.68Å; F202-F236 HydrophobicContact CZ-CZ 3.68Å; F202-K239 HydrophobicContact CB-CG 4.49Å; F202-K239 HydrophobicContact CD1-CB 3.72Å; F202-K239 HydrophobicContact CD1-CG 3.69Å; F202-K239 HydrophobicContact CE1-CB 4.34Å; F202-K239 HydrophobicContact CE1-CG 4.4Å; F202-K239 HydrophobicContact CG-CG 4.44Å
203E86.9Confident83.7Confident76 Ų7659.4 Ų59.436%0.35531%0.311SS..Hα-helixtrans-72.6-36.1178.8-60.4-38.5-12300112.2D199 S200 L201 M205 L206 Q207 K239D199-E203 PolarHBondContact O-N 3.1Å; S200-E203 PolarHBondContact O-N 3.13Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.85Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 3.5Å; E203-L206 WeakPolarHBondContact O-CB 3.45Å; E203-L206 PolarHBondContact O-N 3.45Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.4Å; E203-Q207 PolarHBondContact O-N 3.06Å; E203-K239 IonicContact OE1-NZ 3.27Å; E203-K239 PolarHBondContact OE1-NZ 2.94Å; E203-K239 IonicContact OE2-NZ 2.54Å; E203-K239 PolarHBondContact OE2-NZ 3.31Å
204E86.2Confident84.5Confident30 Ų3059.5 Ų59.514%0.1431%0.308CS..Hα-helixtrans-62.3-39.7172.5-174.9-162.9-108.100111.3F140 P168 R194 S200 L206 Q207 V208F140-E204 VanDerWaalsContact CE2-OE1 3.31Å; F140-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F140-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F140-E204 WeakPolarHBondContact CZ-OE1 3.43Å; P168-E204 HydrophobicContact CG-CG 3.74Å; P168-E204 WeakPolarHBondContact CG-OE1 3.22Å; R194-E204 IonicContact CZ-OE2 3.44Å; R194-E204 IonicContact NH1-OE2 2.74Å; R194-E204 PolarHBondContact NH1-OE2 2.63Å; R194-E204 IonicContact NH2-OE2 3.96Å; R194-E204 PolarHBondContact NH2-OE2 3.33Å; S200-E204 PolarHBondContact O-N 2.97Å; S200-E204 VanDerWaalsContact O-N 3.14Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.26Å; E204-Q207 WeakPolarHBondContact O-CB 3.31Å; E204-Q207 PolarHBondContact O-N 2.95Å; E204-V208 WeakPolarHBondContact O-CG2 3.4Å; E204-V208 PolarHBondContact O-N 3.02Å
205M88.3Confident85.3Confident0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-61.5-42.1174.1-172.8179.657.200111.8M105 V107 L201 F202 E203 Q207 V208 S209 F236 V240M105-M205 HydrophobicContact CE-CG 3.63Å; M105-M205 WeakPolarHBondContact CE-O 3.48Å; V107-M205 HydrophobicContact CB-SD 3.83Å; V107-M205 HydrophobicContact CG1-CG 4.08Å; V107-M205 HydrophobicContact CG1-SD 3.51Å; V107-M205 VanDerWaalsContact CG1-SD 3.51Å; L201-M205 PolarHBondContact O-N 3.21Å; L201-M205 VanDerWaalsContact O-N 3.09Å; F202-M205 HydrophobicContact CD1-CE 3.59Å; F202-M205 HydrophobicContact CE1-CE 3.82Å; F202-M205 HydrophobicContact CG-CE 4.39Å; F202-M205 WeakPolarHBondContact O-CB 3.49Å; F202-M205 PolarHBondContact O-N 3.31Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 3.5Å; M205-Q207 VanDerWaalsContact C-N 3.33Å; M205-V208 PolarHBondContact O-N 2.88Å; M205-S209 WeakPolarHBondContact O-CB 3.45Å; M205-S209 PolarHBondContact O-N 3.49Å; M205-F236 HydrophobicContact CE-CD1 3.77Å; M205-F236 HydrophobicContact CE-CE1 3.96Å; M205-F236 HydrophobicContact SD-CD1 3.9Å; M205-F236 HydrophobicContact SD-CE1 3.75Å; M205-V240 HydrophobicContact CE-CB 4.32Å; M205-V240 HydrophobicContact CE-CG1 3.77Å; M205-V240 HydrophobicContact CE-CG2 3.56Å; M205-V240 HydrophobicContact CG-CG1 4.26Å; M205-V240 HydrophobicContact SD-CG1 4.49Å; M205-V240 HydrophobicContact SD-CG2 4.14Å
206L91.3Very high86.4Confident50 Ų5059.8 Ų59.826%0.26231%0.312SS..Hα-helixtrans-63.8-40.2175.9-179.860.6000111.2F202 E203 E204 S209 N210 V240F202-L206 PolarHBondContact O-N 3.44Å; E203-L206 WeakPolarHBondContact O-CB 3.45Å; E203-L206 PolarHBondContact O-N 3.45Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.26Å; L206-S209 WeakPolarHBondContact O-CB 3.48Å; L206-S209 PolarHBondContact O-N 3.31Å; L206-N210 WeakPolarHBondContact O-CB 3.26Å; L206-N210 PolarHBondContact O-N 3.47Å; L206-N210 PolarHBondContact O-ND2 2.9Å; L206-V240 HydrophobicContact CD1-CG1 4.35Å
207Q91.8Very high87.8Confident110 Ų11056.1 Ų56.151%0.51430%0.296SS..Hα-helixtrans-61.8-45.2174.6-72172.2-12.600112V169 E203 E204 M205 S209 N210 A211V169-Q207 HydrophobicContact CG2-CB 3.88Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.4Å; E203-Q207 PolarHBondContact O-N 3.06Å; E204-Q207 WeakPolarHBondContact O-CB 3.31Å; E204-Q207 PolarHBondContact O-N 2.95Å; M205-Q207 VanDerWaalsContact C-N 3.33Å; Q207-S209 VanDerWaalsContact C-N 3.34Å; Q207-S209 PolarHBondContact O-N 2.85Å; Q207-N210 PolarHBondContact O-N 3.43Å; Q207-A211 WeakPolarHBondContact O-CB 3.46Å; Q207-A211 PolarHBondContact O-N 3.32Å
208V92.3Very high89.2Confident1 Ų148.9 Ų48.91%0.00626%0.262CS..Hα-helixtrans-59.7-45.9174.3173.70000110.6M105 P168 V169 A172 E204 M205 N210 A211 V212M105-V208 HydrophobicContact CE-CB 4.04Å; M105-V208 HydrophobicContact CE-CG1 3.81Å; M105-V208 HydrophobicContact SD-CG1 4.37Å; P168-V208 HydrophobicContact CB-CG2 4.22Å; P168-V208 HydrophobicContact CG-CG2 4.29Å; V169-V208 HydrophobicContact CB-CG2 4.47Å; V169-V208 HydrophobicContact CG2-CG2 3.78Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; E204-V208 WeakPolarHBondContact O-CG2 3.4Å; E204-V208 PolarHBondContact O-N 3.02Å; M205-V208 PolarHBondContact O-N 2.88Å; V208-N210 VanDerWaalsContact C-N 3.33Å; V208-N210 PolarHBondContact O-N 3.46Å; V208-A211 PolarHBondContact O-N 2.98Å; V208-V212 HydrophobicContact CG1-CG2 4.48Å; V208-V212 WeakPolarHBondContact O-CB 3.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.12Å; V208-V212 PolarHBondContact O-N 3.29Å
209S94.2Very high90.2Very high14 Ų1444.4 Ų44.410%0.09824%0.241CC..Hα-helixtrans-59.6-43.3177.5-174.90000111.7M205 L206 Q207 Q213 P214M205-S209 WeakPolarHBondContact O-CB 3.45Å; M205-S209 PolarHBondContact O-N 3.49Å; L206-S209 WeakPolarHBondContact O-CB 3.48Å; L206-S209 PolarHBondContact O-N 3.31Å; Q207-S209 VanDerWaalsContact C-N 3.34Å; Q207-S209 PolarHBondContact O-N 2.85Å; S209-Q213 WeakPolarHBondContact O-CA 3.19Å; S209-Q213 PolarHBondContact O-N 3.01Å; S209-P214 WeakPolarHBondContact O-CD 3.46Å
210N94.3Very high91Very high102 Ų10239 Ų3955%0.54521%0.212SC..Hα-helixtrans-69.1-36.4-179.6-70.3-20.2000112.6L206 Q207 V208 Q213L206-N210 WeakPolarHBondContact O-CB 3.26Å; L206-N210 PolarHBondContact O-N 3.47Å; L206-N210 PolarHBondContact O-ND2 2.9Å; Q207-N210 PolarHBondContact O-N 3.43Å; V208-N210 VanDerWaalsContact C-N 3.33Å; V208-N210 PolarHBondContact O-N 3.46Å; N210-Q213 WeakPolarHBondContact O-CG 3.47Å
211A94.5Very high91.5Very high49 Ų4934.8 Ų34.841%0.40518%0.183SC..Hα-helixtrans-71.4-40.2178.500000112.3V169 Q207 V208V169-A211 HydrophobicContact CG1-CB 3.62Å; Q207-A211 WeakPolarHBondContact O-CB 3.46Å; Q207-A211 PolarHBondContact O-N 3.32Å; V208-A211 PolarHBondContact O-N 2.98Å
212V93.9Very high92.2Very high6 Ų635 Ų354%0.03618%0.184CC..Hα-helixtrans-88.6-27.5-174.3169.40000113.2V103 A172 V176 V189 V208V103-V212 HydrophobicContact CG1-CG1 3.36Å; A172-V212 HydrophobicContact CB-CG2 3.61Å; V176-V212 HydrophobicContact CG1-CG1 4.49Å; V176-V212 HydrophobicContact CG2-CB 4.47Å; V176-V212 HydrophobicContact CG2-CG1 3.65Å; V176-V212 HydrophobicContact CG2-CG2 4.09Å; V189-V212 HydrophobicContact CG2-CG1 4.37Å; V208-V212 HydrophobicContact CG1-CG2 4.48Å; V208-V212 WeakPolarHBondContact O-CB 3.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.12Å; V208-V212 PolarHBondContact O-N 3.29Å
213Q94.4Very high92.4Very high153 Ų15334.9 Ų34.972%0.71518%0.184SC*.  trans51.365.1-174.9-58.9-177.9-6.600112.1S209 N210S209-Q213 WeakPolarHBondContact O-CA 3.19Å; S209-Q213 PolarHBondContact O-N 3.01Å; N210-Q213 WeakPolarHBondContact O-CG 3.47Å
214P95.6Very high92.1Very high24 Ų2434.7 Ų34.716%0.15619%0.191CC..  trans-67138-176.829-34.8000112V103 M105 S209 N216 I217V103-P214 HydrophobicContact CG1-CB 4.44Å; V103-P214 CarbonylContact O-C 3.46Å; M105-P214 HydrophobicContact CB-CB 3.79Å; M105-P214 HydrophobicContact CB-CG 3.99Å; M105-P214 HydrophobicContact SD-CG 4.22Å; S209-P214 WeakPolarHBondContact O-CD 3.46Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 2.88Å; P214-I217 HydrophobicContact CB-CG1 4.23Å; P214-I217 HydrophobicContact CG-CD1 3.92Å; P214-I217 HydrophobicContact CG-CG1 3.59Å
215D95.1Very high91.9Very high80 Ų8034.5 Ų34.543%0.42819%0.191SC..SBendtrans-70.3-26.2172.9-59.9-78.2000112.3W94 N102 V103W94-D215 HydrophobicContact CZ2-CB 3.9Å; W94-D215 PolarHBondContact NE1-O 3.01Å; N102-D215 WeakPolarHBondContact CA-OD2 3.42Å; V103-D215 PolarHBondContact N-OD2 3.27Å; V103-D215 PolarHBondContact O-N 3.43Å
216N95.1Very high91.4Very high1 Ų135.4 Ų35.41%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-147.4122.7178.6-171.724.7000110.8W94 V103 L104 M105 P214 S243 S244W94-N216 HydrophobicContact CB-CB 4.44Å; W94-N216 HydrophobicContact CD2-CB 3.68Å; W94-N216 HydrophobicContact CE3-CB 3.99Å; W94-N216 HydrophobicContact CG-CB 3.9Å; W94-N216 HydrophobicContact CZ2-CB 4.42Å; W94-N216 HydrophobicContact CZ3-CB 4.47Å; V103-N216 PolarHBondContact O-N 3.3Å; L104-N216 WeakPolarHBondContact CA-O 3.44Å; L104-N216 HydrophobicContact CG-CB 4.39Å; M105-N216 PolarHBondContact N-O 2.93Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 2.88Å; N216-S243 WeakPolarHBondContact OD1-CB 3.32Å; N216-S244 PolarHBondContact ND2-OG 3.45Å; N216-S244 PolarHBondContact OD1-OG 3.29Å
217I95.6Very high90.7Very high8 Ų836.4 Ų36.44%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-97.4117.8170.7-56.7-179.9000108.3M105 V107 P214 V240 V242 S243 S244M105-I217 HydrophobicContact CB-CG1 4.43Å; M105-I217 CarbonylContact O-C 3.58Å; M105-I217 WeakPolarHBondContact O-CA 3.48Å; V107-I217 HydrophobicContact CG1-CG2 4.03Å; V107-I217 HydrophobicContact CG2-CG2 3.68Å; P214-I217 HydrophobicContact CB-CG1 4.23Å; P214-I217 HydrophobicContact CG-CD1 3.92Å; P214-I217 HydrophobicContact CG-CG1 3.59Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.4Å; I217-V242 HydrophobicContact CG2-CG2 4.3Å; I217-S243 PolarHBondContact O-N 2.97Å; I217-S244 PolarHBondContact O-N 3.47Å
218V95.8Very high90.2Very high0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-102.2115-175.6-176.10000109.6L104 M105 F106 V107 V220 S244 I246 I271L104-V218 HydrophobicContact CD2-CG2 4.42Å; M105-V218 PolarHBondContact O-N 2.82Å; F106-V218 HydrophobicContact CD2-CB 4.21Å; F106-V218 HydrophobicContact CD2-CG2 4.45Å; F106-V218 HydrophobicContact CE1-CG1 4.26Å; F106-V218 HydrophobicContact CE2-CB 4.14Å; F106-V218 HydrophobicContact CE2-CG2 4.05Å; F106-V218 HydrophobicContact CG-CB 4.46Å; F106-V218 HydrophobicContact CZ-CB 4.32Å; F106-V218 HydrophobicContact CZ-CG1 4.24Å; F106-V218 HydrophobicContact CZ-CG2 4.41Å; V107-V218 PolarHBondContact N-O 3Å; V218-V220 HydrophobicContact CG1-CG2 4.36Å; V218-V220 PolarHBondContact O-N 3.47Å; V218-S244 CarbonylContact C-O 3.47Å; V218-S244 WeakPolarHBondContact CA-O 3.15Å; V218-I246 HydrophobicContact CG1-CB 4.25Å; V218-I246 HydrophobicContact CG1-CD1 3.58Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; V218-I271 HydrophobicContact CG1-CD1 4.47Å; V218-I271 HydrophobicContact CG2-CD1 4.37Å
219Y94.5Very high89.9Confident1 Ų133.9 Ų33.90%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-84111.6171.6177.8-115.2000110.4V107 M221 A233 F236 V242 S244 V245 I246 A262V107-Y219 HydrophobicContact CG2-CD2 4.41Å; V107-Y219 WeakPolarHBondContact O-CA 2.94Å; Y219-M221 HydrophobicContact CD1-CB 4.3Å; Y219-M221 HydrophobicContact CE1-CB 3.77Å; Y219-M221 HydrophobicContact CE1-CG 4.49Å; Y219-A233 HydrophobicContact CE1-CB 4Å; Y219-F236 HydrophobicContact CD2-CB 4.26Å; Y219-F236 HydrophobicContact CD2-CD2 4.13Å; Y219-F236 HydrophobicContact CD2-CG 4.07Å; Y219-F236 HydrophobicContact CE2-CB 4.37Å; Y219-F236 AromaticContact CE2-CD2 3.52Å; Y219-F236 HydrophobicContact CE2-CD2 3.52Å; Y219-F236 AromaticContact CE2-CE2 3.95Å; Y219-F236 HydrophobicContact CE2-CE2 3.95Å; Y219-F236 AromaticContact CE2-CG 3.94Å; Y219-F236 HydrophobicContact CE2-CG 3.94Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; Y219-S244 PolarHBondContact N-O 3.25Å; Y219-V245 HydrophobicContact CD1-CG1 4.42Å; Y219-V245 HydrophobicContact CD1-CG2 4.43Å; Y219-V245 WeakPolarHBondContact O-CA 3.44Å; Y219-I246 PolarHBondContact O-N 3.27Å; Y219-A262 HydrophobicContact CE1-CB 4.45Å
220V94.3Very high89.4Confident0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-92.4119.3176.5-173.80000109.7F106 V107 S112 K114 V218 I246 T248F106-V220 HydrophobicContact CD1-CG2 3.42Å; F106-V220 VanDerWaalsContact CD1-CG2 3.42Å; F106-V220 HydrophobicContact CE1-CG2 3.84Å; F106-V220 HydrophobicContact CG-CG2 4.37Å; V107-V220 PolarHBondContact O-N 2.7Å; S112-V220 VanDerWaalsContact CB-O 3.26Å; S112-V220 WeakPolarHBondContact CB-O 3.36Å; S112-V220 WeakPolarHBondContact O-CG1 3.32Å; S112-V220 PolarHBondContact OG-O 2.95Å; K114-V220 HydrophobicContact CG-CB 3.91Å; K114-V220 HydrophobicContact CG-CG1 4.45Å; K114-V220 HydrophobicContact CG-CG2 4.1Å; V218-V220 HydrophobicContact CG1-CG2 4.36Å; V218-V220 PolarHBondContact O-N 3.47Å; V220-I246 WeakPolarHBondContact CA-O 3.5Å; V220-T248 HydrophobicContact CG1-CG2 3.52Å
221M91Very high89.1Confident2 Ų233.5 Ų33.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-120.1145.5179.464.9167.5-74.200112.2Y219 I225 V245 I246 V247 T248 A259 A262Y219-M221 HydrophobicContact CD1-CB 4.3Å; Y219-M221 HydrophobicContact CE1-CB 3.77Å; Y219-M221 HydrophobicContact CE1-CG 4.49Å; M221-I225 HydrophobicContact CE-CG2 3.41Å; M221-I225 VanDerWaalsContact CE-CG2 3.41Å; M221-V245 HydrophobicContact CG-CG1 4.01Å; M221-V245 HydrophobicContact SD-CG1 3.99Å; M221-I246 WeakPolarHBondContact CG-O 3.47Å; M221-I246 PolarHBondContact N-O 2.67Å; M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG2 4.04Å; M221-V247 WeakPolarHBondContact O-CA 3.45Å; M221-V247 HydrophobicContact SD-CG2 4.08Å; M221-T248 PolarHBondContact O-N 3.35Å; M221-T248 PolarHBondContact O-OG1 2.82Å; M221-A259 HydrophobicContact CE-CB 4.15Å; M221-A259 VanDerWaalsContact CE-N 3.28Å; M221-A259 HydrophobicContact SD-CB 4.34Å; M221-A262 HydrophobicContact CE-CB 4.41Å; M221-A262 HydrophobicContact SD-CB 3.35Å; M221-A262 WeakPolarHBondContact SD-CB 3.31Å
222D89.6Confident88.7Confident24 Ų2431.5 Ų31.513%0.12818%0.184CC..EExtended strand (participates in β ladder)trans-80.7130.9173-171.8-34.5000109.4S224 I225 K249D222-S224 PolarHBondContact O-N 3.14Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.35Å; D222-S224 PolarHBondContact OD1-N 3.19Å; D222-S224 PolarHBondContact OD1-OG 2.84Å; D222-S224 PolarHBondContact OD2-OG 2.86Å; D222-I225 VanDerWaalsContact O-CB 3.32Å; D222-I225 WeakPolarHBondContact O-CB 3.34Å; D222-I225 WeakPolarHBondContact O-CG2 3.48Å; D222-I225 PolarHBondContact O-N 3.44Å; D222-K249 WeakPolarHBondContact OD2-CD 3.35Å; D222-K249 WeakPolarHBondContact OD2-CE 3.29Å; D222-K249 IonicContact OD2-NZ 3.35Å; D222-K249 PolarHBondContact OD2-NZ 3.22Å
223A85.4Confident88.5Confident1 Ų131.2 Ų31.21%0.00818%0.183CC..THydrogen-bonded Turntrans-61.7-18.6177.500000114.8I225 V247 T248 L250 A254 G256A223-I225 VanDerWaalsContact C-N 3.27Å; A223-V247 HydrophobicContact CB-CG1 3.86Å; A223-T248 WeakPolarHBondContact CB-O 3.37Å; A223-T248 PolarHBondContact N-O 3.42Å; A223-L250 HydrophobicContact CB-CD2 3.42Å; A223-L250 VanDerWaalsContact CB-CD2 3.42Å; A223-L250 HydrophobicContact CB-CG 4.14Å; A223-A254 HydrophobicContact CB-CB 3.51Å; A223-G256 PolarHBondContact O-N 2.83Å
224S81.6Confident88.2Confident73 Ų7329.4 Ų29.451%0.5117%0.173SC..THydrogen-bonded Turntrans-79.7-8.9176.266.10000113.3D222 G226D222-S224 PolarHBondContact O-N 3.14Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.35Å; D222-S224 PolarHBondContact OD1-N 3.19Å; D222-S224 PolarHBondContact OD1-OG 2.84Å; D222-S224 PolarHBondContact OD2-OG 2.86Å; S224-G226 PolarHBondContact O-N 3.03Å; S224-G226 VanDerWaalsContact O-N 3.12Å
225I80.9Confident87.9Confident25 Ų2529.4 Ų29.413%0.12818%0.175CC..  trans-63.9116.3176.7-160.2173.5000109.4L109 M221 D222 A223 C229 G258L109-I225 HydrophobicContact CD1-CD1 3.54Å; M221-I225 HydrophobicContact CE-CG2 3.41Å; M221-I225 VanDerWaalsContact CE-CG2 3.41Å; D222-I225 VanDerWaalsContact O-CB 3.32Å; D222-I225 WeakPolarHBondContact O-CB 3.34Å; D222-I225 WeakPolarHBondContact O-CG2 3.48Å; D222-I225 PolarHBondContact O-N 3.44Å; A223-I225 VanDerWaalsContact C-N 3.27Å; I225-C229 HydrophobicContact CD1-CB 4.18Å; I225-C229 HydrophobicContact CG1-CB 4.1Å; I225-C229 HydrophobicContact CG2-CB 3.76Å; I225-C229 VanDerWaalsContact CG2-SG 3.57Å; I225-G258 VanDerWaalsContact O-CA 3.27Å; I225-G258 WeakPolarHBondContact O-CA 3.47Å
226G77.3Confident87.7Confident19 Ų1925.6 Ų25.620%0.19615%0.154CC..  trans-83.2-137.6-179.600000112.5S224 A228 C229S224-G226 PolarHBondContact O-N 3.03Å; S224-G226 VanDerWaalsContact O-N 3.12Å; G226-A228 PolarHBondContact O-N 3.33Å; G226-C229 VanDerWaalsContact O-CB 3.22Å; G226-C229 WeakPolarHBondContact O-CB 3.38Å; G226-C229 PolarHBondContact O-N 2.9Å
227Q77.2Confident87.4Confident72 Ų7228.7 Ų28.734%0.33617%0.168SC..THydrogen-bonded Turntrans-57.1-27.2-175.1-60-64-46.900114.6D43 V44 C229D43-Q227 PolarHBondContact O-NE2 2.65Å; D43-Q227 VanDerWaalsContact O-NE2 3.12Å; V44-Q227 VanDerWaalsContact C-NE2 3.33Å; V44-Q227 PolarHBondContact O-NE2 3.06Å; Q227-C229 PolarHBondContact O-N 3.44Å; Q227-C229 VanDerWaalsContact O-N 3.13Å
228A82.1Confident87.2Confident57 Ų5733.8 Ų33.847%0.47120%0.195SC..THydrogen-bonded Turntrans-65.6-13.8178.400000113.5G226 E230 A231 Q232G226-A228 PolarHBondContact O-N 3.33Å; A228-E230 PolarHBondContact O-N 3.09Å; A228-A231 PolarHBondContact O-N 3.27Å; A228-Q232 VanDerWaalsContact O-CG 3.24Å; A228-Q232 WeakPolarHBondContact O-CG 3.46Å; A228-Q232 PolarHBondContact O-N 2.68Å
229C84.6Confident86.8Confident0 Ų037.6 Ų37.60%021%0.211CC..Hα-helixtrans-55.9-45.8-177.8-166.80000113.4I225 G226 Q227 A231 Q232 A233 G258I225-C229 HydrophobicContact CD1-CB 4.18Å; I225-C229 HydrophobicContact CG1-CB 4.1Å; I225-C229 HydrophobicContact CG2-CB 3.76Å; I225-C229 VanDerWaalsContact CG2-SG 3.57Å; G226-C229 VanDerWaalsContact O-CB 3.22Å; G226-C229 WeakPolarHBondContact O-CB 3.38Å; G226-C229 PolarHBondContact O-N 2.9Å; Q227-C229 PolarHBondContact O-N 3.44Å; Q227-C229 VanDerWaalsContact O-N 3.13Å; C229-A231 PolarHBondContact O-N 3.47Å; C229-Q232 PolarHBondContact O-N 2.83Å; C229-A233 VanDerWaalsContact O-CB 3.25Å; C229-A233 WeakPolarHBondContact O-CB 3.38Å; C229-A233 PolarHBondContact O-N 3.36Å; C229-G258 PolarHBondContact SG-O 3.26Å
230E85.3Confident86.5Confident63 Ų6337.8 Ų37.829%0.29421%0.213SC..Hα-helixtrans-57.8-49.5-176.8-174.3-174.5-158.500111.2N45 A228 Q232 K234 A265N45-E230 PolarHBondContact ND2-OE2 2.94Å; A228-E230 PolarHBondContact O-N 3.09Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 2.91Å; E230-K234 VanDerWaalsContact O-CB 3.27Å; E230-K234 WeakPolarHBondContact O-CB 3.33Å; E230-K234 PolarHBondContact O-N 2.8Å; E230-A265 HydrophobicContact CG-CB 4.1Å
231A86.6Confident86.2Confident45 Ų4544.7 Ų44.737%0.37225%0.245SC..Hα-helixtrans-66.8-35.3-178.700000112.5A228 C229 A235A228-A231 PolarHBondContact O-N 3.27Å; C229-A231 PolarHBondContact O-N 3.47Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.16Å; A231-A235 VanDerWaalsContact O-N 3.09Å
232Q87.5Confident86.3Confident7 Ų744.6 Ų44.63%0.03325%0.245CC..Hα-helixtrans-71.2-51.9178.2-63.7-72-300110.4L109 H195 A228 C229 E230 K234 A235 F236L109-Q232 HydrophobicContact CD1-CB 4.47Å; L109-Q232 HydrophobicContact CD1-CG 4.11Å; L109-Q232 HydrophobicContact CD2-CG 4.37Å; H195-Q232 PolarHBondContact NE2-NE2 2.99Å; A228-Q232 VanDerWaalsContact O-CG 3.24Å; A228-Q232 WeakPolarHBondContact O-CG 3.46Å; A228-Q232 PolarHBondContact O-N 2.68Å; C229-Q232 PolarHBondContact O-N 2.83Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 2.91Å; Q232-K234 PolarHBondContact O-N 3.47Å; Q232-A235 PolarHBondContact O-N 2.61Å; Q232-A235 VanDerWaalsContact O-N 3.1Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.29Å; Q232-F236 PolarHBondContact O-N 3.15Å
233A88.4Confident86.3Confident0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-55.6-42177.600000111.7Y219 C229 F236 K237 A262 A265 T266Y219-A233 HydrophobicContact CE1-CB 4Å; C229-A233 VanDerWaalsContact O-CB 3.25Å; C229-A233 WeakPolarHBondContact O-CB 3.38Å; C229-A233 PolarHBondContact O-N 3.36Å; A233-F236 PolarHBondContact O-N 3.34Å; A233-K237 WeakPolarHBondContact O-CB 3.32Å; A233-K237 PolarHBondContact O-N 2.94Å; A233-A262 HydrophobicContact CB-CB 4.16Å; A233-A265 HydrophobicContact CB-CB 4.03Å; A233-T266 HydrophobicContact CB-CG2 3.8Å
234K89.2Confident86.7Confident116 Ų11645.3 Ų45.350%0.50425%0.251SS..Hα-helixtrans-63.4-46.9174.8-173.5172.6-179-178.80112.5E230 Q232 F236 K237 D238 A265E230-K234 VanDerWaalsContact O-CB 3.27Å; E230-K234 WeakPolarHBondContact O-CB 3.33Å; E230-K234 PolarHBondContact O-N 2.8Å; Q232-K234 PolarHBondContact O-N 3.47Å; K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.49Å; K234-K237 PolarHBondContact O-N 3.27Å; K234-K237 VanDerWaalsContact O-N 3.12Å; K234-D238 WeakPolarHBondContact CG-OD2 3.36Å; K234-D238 WeakPolarHBondContact O-CB 3.24Å; K234-D238 PolarHBondContact O-N 2.94Å; K234-A265 HydrophobicContact CB-CB 4.44Å
235A89.2Confident87.3Confident24 Ų2441.8 Ų41.820%0.19823%0.227CC..Hα-helixtrans-59.8-40178.600000112.7K196 A231 Q232 K239K196-A235 HydrophobicContact CB-CB 4.05Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.16Å; A231-A235 VanDerWaalsContact O-N 3.09Å; Q232-A235 PolarHBondContact O-N 2.61Å; Q232-A235 VanDerWaalsContact O-N 3.1Å; A235-K239 PolarHBondContact O-N 2.67Å
236F89.8Confident87.9Confident0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-65.4-44.8172.8-80.7-83.3000112V107 L109 R194 F202 M205 Y219 Q232 A233 K234 D238 K239 V240 V242V107-F236 HydrophobicContact CB-CD1 4.22Å; V107-F236 HydrophobicContact CB-CE1 4.27Å; V107-F236 HydrophobicContact CG2-CD1 4.16Å; L109-F236 HydrophobicContact CD2-CE2 4.04Å; R194-F236 HydrophobicContact CB-CZ 4.27Å; F202-F236 AromaticContact CE1-CD1 3.87Å; F202-F236 HydrophobicContact CE1-CD1 3.87Å; F202-F236 HydrophobicContact CE1-CD2 4.39Å; F202-F236 AromaticContact CE1-CE1 3.99Å; F202-F236 HydrophobicContact CE1-CE1 3.99Å; F202-F236 HydrophobicContact CE1-CE2 4.49Å; F202-F236 HydrophobicContact CE1-CG 4.08Å; F202-F236 HydrophobicContact CE1-CZ 4.3Å; F202-F236 HydrophobicContact CE2-CZ 4.43Å; F202-F236 HydrophobicContact CZ-CD1 4.1Å; F202-F236 HydrophobicContact CZ-CD2 4.1Å; F202-F236 AromaticContact CZ-CE1 3.83Å; F202-F236 HydrophobicContact CZ-CE1 3.83Å; F202-F236 AromaticContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CG 4.22Å; F202-F236 AromaticContact CZ-CZ 3.68Å; F202-F236 HydrophobicContact CZ-CZ 3.68Å; M205-F236 HydrophobicContact CE-CD1 3.77Å; M205-F236 HydrophobicContact CE-CE1 3.96Å; M205-F236 HydrophobicContact SD-CD1 3.9Å; M205-F236 HydrophobicContact SD-CE1 3.75Å; Y219-F236 HydrophobicContact CD2-CB 4.26Å; Y219-F236 HydrophobicContact CD2-CD2 4.13Å; Y219-F236 HydrophobicContact CD2-CG 4.07Å; Y219-F236 HydrophobicContact CE2-CB 4.37Å; Y219-F236 AromaticContact CE2-CD2 3.52Å; Y219-F236 HydrophobicContact CE2-CD2 3.52Å; Y219-F236 AromaticContact CE2-CE2 3.95Å; Y219-F236 HydrophobicContact CE2-CE2 3.95Å; Y219-F236 AromaticContact CE2-CG 3.94Å; Y219-F236 HydrophobicContact CE2-CG 3.94Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.29Å; Q232-F236 PolarHBondContact O-N 3.15Å; A233-F236 PolarHBondContact O-N 3.34Å; K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.49Å; F236-D238 VanDerWaalsContact C-N 3.35Å; F236-D238 PolarHBondContact O-N 3.04Å; F236-K239 PolarHBondContact O-N 3.18Å; F236-V240 WeakPolarHBondContact O-CG2 3.4Å; F236-V240 PolarHBondContact O-N 2.85Å; F236-V242 HydrophobicContact CB-CG2 4.12Å
237K90Very high88.6Confident65 Ų6539.8 Ų39.828%0.28321%0.212SC..Hα-helixtrans-65.1-35.4179.7-176.661.5174.1179.40113.4A233 K234 K239 V240 V242 T266A233-K237 WeakPolarHBondContact O-CB 3.32Å; A233-K237 PolarHBondContact O-N 2.94Å; K234-K237 PolarHBondContact O-N 3.27Å; K234-K237 VanDerWaalsContact O-N 3.12Å; K237-K239 VanDerWaalsContact C-N 3.29Å; K237-V240 CarbonylContact C-O 3.59Å; K237-V240 WeakPolarHBondContact CA-O 3.49Å; K237-V240 VanDerWaalsContact O-O 3.07Å; K237-V242 HydrophobicContact CD-CB 4.07Å; K237-V242 PolarHBondContact NZ-O 3.34Å; K237-T266 HydrophobicContact CB-CG2 4.33Å; K237-T266 VanDerWaalsContact CE-O 3.26Å; K237-T266 WeakPolarHBondContact CE-O 3.05Å
238D89.9Confident89.3Confident115 Ų11536.7 Ų36.762%0.61520%0.198SC*.Hα-helixtrans-72.3-25.6-179.9-69.1-13.5000111.8K234 F236K234-D238 WeakPolarHBondContact CG-OD2 3.36Å; K234-D238 WeakPolarHBondContact O-CB 3.24Å; K234-D238 PolarHBondContact O-N 2.94Å; F236-D238 VanDerWaalsContact C-N 3.35Å; F236-D238 PolarHBondContact O-N 3.04Å
239K88.4Confident89.6Confident80 Ų8038.3 Ų38.335%0.34819%0.194SC..Hα-helixtrans-99.4-38.9-177.5-74.7-70.5-166159.80113.9F202 E203 A235 F236 K237F202-K239 HydrophobicContact CB-CG 4.49Å; F202-K239 HydrophobicContact CD1-CB 3.72Å; F202-K239 HydrophobicContact CD1-CG 3.69Å; F202-K239 HydrophobicContact CE1-CB 4.34Å; F202-K239 HydrophobicContact CE1-CG 4.4Å; F202-K239 HydrophobicContact CG-CG 4.44Å; E203-K239 IonicContact OE1-NZ 3.27Å; E203-K239 PolarHBondContact OE1-NZ 2.94Å; E203-K239 IonicContact OE2-NZ 2.54Å; E203-K239 PolarHBondContact OE2-NZ 3.31Å; A235-K239 PolarHBondContact O-N 2.67Å; F236-K239 PolarHBondContact O-N 3.18Å; K237-K239 VanDerWaalsContact C-N 3.29Å
240V87.8Confident89.4Confident6 Ų638.7 Ų38.74%0.03620%0.197CC..SBendtrans-131.4147.6177.2-71.60000110M205 L206 I217 F236 K237 V242M205-V240 HydrophobicContact CE-CB 4.32Å; M205-V240 HydrophobicContact CE-CG1 3.77Å; M205-V240 HydrophobicContact CE-CG2 3.56Å; M205-V240 HydrophobicContact CG-CG1 4.26Å; M205-V240 HydrophobicContact SD-CG1 4.49Å; M205-V240 HydrophobicContact SD-CG2 4.14Å; L206-V240 HydrophobicContact CD1-CG1 4.35Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.4Å; F236-V240 WeakPolarHBondContact O-CG2 3.4Å; F236-V240 PolarHBondContact O-N 2.85Å; K237-V240 CarbonylContact C-O 3.59Å; K237-V240 WeakPolarHBondContact CA-O 3.49Å; K237-V240 VanDerWaalsContact O-O 3.07Å; V240-V242 HydrophobicContact CG2-CG2 4.11Å; V240-V242 PolarHBondContact O-N 3.07Å
241E88.9Confident89Confident144 Ų14439.1 Ų39.167%0.67320%0.201SC*.  trans-7670.8-175.4-163.7177.1177.600112.3S243E241-S243 PolarHBondContact O-N 3.35Å; E241-S243 VanDerWaalsContact O-N 3.1Å; E241-S243 PolarHBondContact O-OG 2.96Å; E241-S243 VanDerWaalsContact O-OG 3.13Å
242V91.7Very high88.3Confident0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-58.5117.2176.2176.50000109.4V107 I217 Y219 F236 K237 V240 T266 S268V107-V242 HydrophobicContact CG2-CG2 4.33Å; I217-V242 HydrophobicContact CG2-CG2 4.3Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; F236-V242 HydrophobicContact CB-CG2 4.12Å; K237-V242 HydrophobicContact CD-CB 4.07Å; K237-V242 PolarHBondContact NZ-O 3.34Å; V240-V242 HydrophobicContact CG2-CG2 4.11Å; V240-V242 PolarHBondContact O-N 3.07Å; V242-T266 HydrophobicContact CG1-CG2 4.4Å; V242-S268 PolarHBondContact O-OG 3.05Å
243S91.1Very high87.1Confident40 Ų4046 Ų4628%0.2823%0.232SC..EExtended strand (participates in β ladder)trans-109.1-20.9-174.3-680000112.7N216 I217 E241 S268 P269N216-S243 WeakPolarHBondContact OD1-CB 3.32Å; I217-S243 PolarHBondContact O-N 2.97Å; E241-S243 PolarHBondContact O-N 3.35Å; E241-S243 VanDerWaalsContact O-N 3.1Å; E241-S243 PolarHBondContact O-OG 2.96Å; E241-S243 VanDerWaalsContact O-OG 3.13Å; S243-S268 WeakPolarHBondContact O-CB 3.46Å; S243-P269 WeakPolarHBondContact O-CD 3.24Å
244S93.6Very high86Confident0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-142.3154.5179.7-58.30000111.7N216 I217 V218 Y219N216-S244 PolarHBondContact ND2-OG 3.45Å; N216-S244 PolarHBondContact OD1-OG 3.29Å; I217-S244 PolarHBondContact O-N 3.47Å; V218-S244 CarbonylContact C-O 3.47Å; V218-S244 WeakPolarHBondContact CA-O 3.15Å; Y219-S244 PolarHBondContact N-O 3.25Å
245V93.3Very high84.8Confident0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-119139.9175.3179.10000110.5Y219 M221 V247 P269 I270 I271Y219-V245 HydrophobicContact CD1-CG1 4.42Å; Y219-V245 HydrophobicContact CD1-CG2 4.43Å; Y219-V245 WeakPolarHBondContact O-CA 3.44Å; M221-V245 HydrophobicContact CG-CG1 4.01Å; M221-V245 HydrophobicContact SD-CG1 3.99Å; V245-V247 HydrophobicContact CG1-CG2 4.36Å; V245-P269 PolarHBondContact N-O 2.69Å; V245-I270 HydrophobicContact CB-CG1 4.14Å; V245-I270 HydrophobicContact CG1-CG1 4.2Å; V245-I270 CarbonylContact O-C 3.53Å; V245-I270 VanDerWaalsContact O-CA 3.29Å; V245-I270 WeakPolarHBondContact O-CA 3.24Å; V245-I271 WeakPolarHBondContact O-CG1 3.24Å; V245-I271 PolarHBondContact O-N 3.38Å
246I94.1Very high83.9Confident0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-121.3131.4166.8-64.2179.8000109.2F106 T117 V218 Y219 V220 M221 T248 I271 F272F106-I246 HydrophobicContact CE1-CD1 4.08Å; F106-I246 HydrophobicContact CZ-CD1 4.1Å; T117-I246 HydrophobicContact CG2-CB 4.38Å; T117-I246 HydrophobicContact CG2-CD1 3.74Å; T117-I246 HydrophobicContact CG2-CG2 3.69Å; V218-I246 HydrophobicContact CG1-CB 4.25Å; V218-I246 HydrophobicContact CG1-CD1 3.58Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; Y219-I246 PolarHBondContact O-N 3.27Å; V220-I246 WeakPolarHBondContact CA-O 3.5Å; M221-I246 WeakPolarHBondContact CG-O 3.47Å; M221-I246 PolarHBondContact N-O 2.67Å; I246-T248 HydrophobicContact CG2-CG2 4.34Å; I246-I271 HydrophobicContact CD1-CD1 4.19Å; I246-I271 HydrophobicContact CD1-CG1 4.32Å; I246-I271 HydrophobicContact CG1-CD1 4.1Å; I246-I271 HydrophobicContact CG1-CG1 3.75Å; I246-F272 WeakPolarHBondContact CA-O 3.37Å; I246-F272 HydrophobicContact CD1-CB 4.14Å; I246-F272 HydrophobicContact CD1-CD2 4.26Å; I246-F272 HydrophobicContact CG1-CB 4.04Å; I246-F272 HydrophobicContact CG2-CB 4.25Å
247V91.4Very high83Confident2 Ų243.7 Ų43.71%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-104.3120.5178.8-173.40000109.4M221 A223 V245 L250 A259 I270 F272 I273 G274M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG2 4.04Å; M221-V247 WeakPolarHBondContact O-CA 3.45Å; M221-V247 HydrophobicContact SD-CG2 4.08Å; A223-V247 HydrophobicContact CB-CG1 3.86Å; V245-V247 HydrophobicContact CG1-CG2 4.36Å; V247-L250 HydrophobicContact CG1-CD1 4.26Å; V247-L250 HydrophobicContact CG1-CD2 4.03Å; V247-L250 HydrophobicContact CG1-CG 4.04Å; V247-A259 HydrophobicContact CG1-CB 4.21Å; V247-A259 HydrophobicContact CG2-CB 3.67Å; V247-I270 HydrophobicContact CG2-CD1 4.07Å; V247-I270 HydrophobicContact CG2-CG1 4.38Å; V247-I270 HydrophobicContact CG2-CG2 4Å; V247-F272 PolarHBondContact N-O 2.92Å; V247-I273 HydrophobicContact CB-CG2 4.33Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.31Å; V247-I273 WeakPolarHBondContact O-CA 3.46Å; V247-G274 PolarHBondContact O-N 2.89Å
248T91.9Very high82.3Confident6 Ų640.7 Ų40.74%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-104.6169.3-17867.10000111.9S112 T117 V220 M221 A223 I246 L250S112-T248 WeakPolarHBondContact O-CG2 3.41Å; S112-T248 PolarHBondContact O-OG1 3.15Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.5Å; V220-T248 HydrophobicContact CG1-CG2 3.52Å; M221-T248 PolarHBondContact O-N 3.35Å; M221-T248 PolarHBondContact O-OG1 2.82Å; A223-T248 WeakPolarHBondContact CB-O 3.37Å; A223-T248 PolarHBondContact N-O 3.42Å; I246-T248 HydrophobicContact CG2-CG2 4.34Å; T248-L250 VanDerWaalsContact C-N 3.29Å; T248-L250 PolarHBondContact O-N 3.24Å
249K88.5Confident81.8Confident91 Ų9135.6 Ų35.640%0.39618%0.183SC..  trans59.532.9175-51.4-173.6-164.3163.70114.3G111 D222 D251 G252 G274G111-K249 PolarHBondContact O-NZ 3.41Å; D222-K249 WeakPolarHBondContact OD2-CD 3.35Å; D222-K249 WeakPolarHBondContact OD2-CE 3.29Å; D222-K249 IonicContact OD2-NZ 3.35Å; D222-K249 PolarHBondContact OD2-NZ 3.22Å; K249-D251 VanDerWaalsContact C-OD1 3.31Å; K249-D251 VanDerWaalsContact CA-OD1 3.29Å; K249-D251 WeakPolarHBondContact CA-OD1 3.46Å; K249-D251 PolarHBondContact O-N 3.43Å; K249-G252 PolarHBondContact O-N 2.66Å; K249-G274 PolarHBondContact N-O 3.19Å
250L81.5Confident81.3Confident9 Ų932.7 Ų32.75%0.04717%0.171CC..THydrogen-bonded Turntrans-74.5-12176.5-75.8-175.8000113.8M1 L3 A223 V247 T248 G252 I273 G274 F290M1-L250 WeakPolarHBondContact CE-O 3.06Å; L3-L250 HydrophobicContact CD1-CD2 3.85Å; A223-L250 HydrophobicContact CB-CD2 3.42Å; A223-L250 VanDerWaalsContact CB-CD2 3.42Å; A223-L250 HydrophobicContact CB-CG 4.14Å; V247-L250 HydrophobicContact CG1-CD1 4.26Å; V247-L250 HydrophobicContact CG1-CD2 4.03Å; V247-L250 HydrophobicContact CG1-CG 4.04Å; T248-L250 VanDerWaalsContact C-N 3.29Å; T248-L250 PolarHBondContact O-N 3.24Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-I273 HydrophobicContact CD1-CB 3.69Å; L250-I273 HydrophobicContact CD1-CD1 4.25Å; L250-I273 HydrophobicContact CD1-CG2 3.52Å; L250-G274 PolarHBondContact N-O 2.79Å; L250-F290 HydrophobicContact CD1-CE2 4.38Å
251D77.3Confident81Confident72 Ų7232.5 Ų32.539%0.38517%0.17SC..THydrogen-bonded Turntrans-69.7-26170.352.6-58.3000113.6K249 T275 G276K249-D251 VanDerWaalsContact C-OD1 3.31Å; K249-D251 VanDerWaalsContact CA-OD1 3.29Å; K249-D251 WeakPolarHBondContact CA-OD1 3.46Å; K249-D251 PolarHBondContact O-N 3.43Å; D251-T275 WeakPolarHBondContact CB-O 3.42Å; D251-G276 PolarHBondContact OD1-N 3.45Å
252G71.3Confident80.6Confident27 Ų2725.6 Ų25.628%0.27814%0.138SC..SBendtrans-77.5-164.9-176.200000115.1K249 L250 A254K249-G252 PolarHBondContact O-N 2.66Å; L250-G252 VanDerWaalsContact C-N 3.31Å; G252-A254 PolarHBondContact O-N 3.29Å
253H62.8Low80.2Confident168 Ų16825.8 Ų25.878%0.77814%0.139SC*.SBendtrans-80.716.3170.1-67.3-81.1000113.1V2 K255V2-H253 WeakPolarHBondContact CB-O 3.19Å; V2-H253 VanDerWaalsContact CG2-CA 3.5Å; V2-H253 HydrophobicContact CG2-CB 3.81Å; V2-H253 WeakPolarHBondContact CG2-O 3.4Å; H253-K255 PolarHBondContact O-N 3.46Å
254A63.6Low79.7Confident9 Ų924.9 Ų24.97%0.07413%0.134CC..  trans-68.8133.1179.300000110.7A223 G252 G256A223-A254 HydrophobicContact CB-CB 3.51Å; G252-A254 PolarHBondContact O-N 3.29Å; A254-G256 VanDerWaalsContact C-N 3.33Å
255K65.3Low79.2Confident75 Ų7526.1 Ų26.133%0.32614%0.144SC..  trans-78-18.6-176.4-67.7156.5171.5-1690113.5V2 E41 A42 D43 H253 G257V2-K255 HydrophobicContact CG1-CB 4.07Å; V2-K255 HydrophobicContact CG1-CG 3.4Å; V2-K255 VanDerWaalsContact CG1-CG 3.4Å; E41-K255 WeakPolarHBondContact O-CD 3.48Å; E41-K255 WeakPolarHBondContact O-CE 3.35Å; E41-K255 PolarHBondContact O-NZ 2.91Å; A42-K255 HydrophobicContact CB-CB 4.07Å; A42-K255 VanDerWaalsContact O-CB 3.23Å; A42-K255 WeakPolarHBondContact O-CB 3.36Å; D43-K255 HydrophobicContact CB-CD 4.46Å; D43-K255 WeakPolarHBondContact OD2-CD 3.4Å; D43-K255 WeakPolarHBondContact OD2-CE 3.43Å; D43-K255 IonicContact OD2-NZ 3.55Å; D43-K255 PolarHBondContact OD2-NZ 3.27Å; H253-K255 PolarHBondContact O-N 3.46Å; K255-G257 PolarHBondContact O-N 2.85Å; K255-G257 VanDerWaalsContact O-N 3.11Å
256G69.6Low78.8Confident7 Ų726.1 Ų26.17%0.07214%0.144CC..  trans72.4-3.8174.700000115.2A223 A254 G258 A259A223-G256 PolarHBondContact O-N 2.83Å; A254-G256 VanDerWaalsContact C-N 3.33Å; G256-G258 PolarHBondContact O-N 2.77Å; G256-A259 WeakPolarHBondContact O-CB 3.34Å; G256-A259 PolarHBondContact O-N 3.37Å
257G72Confident78.5Confident2 Ų232.5 Ų32.52%0.02117%0.172CC..Hα-helixtrans-64.5-21.9179.700000114.6A42 K255 A259 L260 S261A42-G257 WeakPolarHBondContact O-CA 3.36Å; A42-G257 PolarHBondContact O-N 2.77Å; K255-G257 PolarHBondContact O-N 2.85Å; K255-G257 VanDerWaalsContact O-N 3.11Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.28Å; G257-L260 PolarHBondContact O-N 2.96Å; G257-S261 PolarHBondContact O-N 3.01Å; G257-S261 PolarHBondContact O-OG 2.95Å
258G75.6Confident78.5Confident1 Ų132.6 Ų32.61%0.0117%0.173CC..Hα-helixtrans-58.8-36.3169.500000112.8I225 C229 G256 L260 S261 A262I225-G258 VanDerWaalsContact O-CA 3.27Å; I225-G258 WeakPolarHBondContact O-CA 3.47Å; C229-G258 PolarHBondContact SG-O 3.26Å; G256-G258 PolarHBondContact O-N 2.77Å; G258-L260 VanDerWaalsContact C-N 3.32Å; G258-L260 PolarHBondContact O-N 3.32Å; G258-S261 CarbonylContact O-C 3.58Å; G258-S261 WeakPolarHBondContact O-CA 3.48Å; G258-S261 WeakPolarHBondContact O-CB 3.47Å; G258-S261 PolarHBondContact O-N 3.34Å; G258-A262 PolarHBondContact O-N 2.81Å
259A78.9Confident78.4Confident9 Ų932.9 Ų32.97%0.07418%0.175CC..Hα-helixtrans-61.7-41.4-177.400000112.1M221 V247 G256 G257 S261 A262 V263 I270M221-A259 HydrophobicContact CE-CB 4.15Å; M221-A259 VanDerWaalsContact CE-N 3.28Å; M221-A259 HydrophobicContact SD-CB 4.34Å; V247-A259 HydrophobicContact CG1-CB 4.21Å; V247-A259 HydrophobicContact CG2-CB 3.67Å; G256-A259 WeakPolarHBondContact O-CB 3.34Å; G256-A259 PolarHBondContact O-N 3.37Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.28Å; A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.17Å; A259-A262 PolarHBondContact O-N 3.33Å; A259-V263 WeakPolarHBondContact O-CG2 3.37Å; A259-V263 PolarHBondContact O-N 2.85Å; A259-I270 HydrophobicContact CB-CD1 4.15Å
260L77Confident78.6Confident19 Ų1929.1 Ų29.110%0.09916%0.159CC..Hα-helixtrans-59.5-41.2174-60.2-179.8000111.4V44 V87 G257 G258 A264V44-L260 HydrophobicContact CG1-CD1 3.96Å; V44-L260 HydrophobicContact CG2-CD1 3.79Å; V87-L260 HydrophobicContact CB-CD2 4.06Å; V87-L260 HydrophobicContact CG1-CD2 4.31Å; V87-L260 HydrophobicContact CG2-CD2 3.13Å; G257-L260 PolarHBondContact O-N 2.96Å; G258-L260 VanDerWaalsContact C-N 3.32Å; G258-L260 PolarHBondContact O-N 3.32Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.71Å; L260-A264 VanDerWaalsContact O-N 3.07Å
261S80.8Confident79.1Confident1 Ų129.5 Ų29.51%0.00716%0.161CC..Hα-helixtrans-70.4-36.9-179.5-52.40000111.9G257 G258 A259 A265G257-S261 PolarHBondContact O-N 3.01Å; G257-S261 PolarHBondContact O-OG 2.95Å; G258-S261 CarbonylContact O-C 3.58Å; G258-S261 WeakPolarHBondContact O-CA 3.48Å; G258-S261 WeakPolarHBondContact O-CB 3.47Å; G258-S261 PolarHBondContact O-N 3.34Å; A259-S261 VanDerWaalsContact C-N 3.26Å; A259-S261 PolarHBondContact O-N 3.17Å; S261-A265 WeakPolarHBondContact O-CB 3.25Å; S261-A265 PolarHBondContact O-N 2.88Å; S261-A265 VanDerWaalsContact O-N 3.08Å
262A82.5Confident79.8Confident0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-66.3-44.117600000112.3Y219 M221 A233 G258 A259 A265 T266Y219-A262 HydrophobicContact CE1-CB 4.45Å; M221-A262 HydrophobicContact CE-CB 4.41Å; M221-A262 HydrophobicContact SD-CB 3.35Å; M221-A262 WeakPolarHBondContact SD-CB 3.31Å; A233-A262 HydrophobicContact CB-CB 4.16Å; G258-A262 PolarHBondContact O-N 2.81Å; A259-A262 PolarHBondContact O-N 3.33Å; A262-A265 PolarHBondContact O-N 3.15Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.39Å; A262-T266 PolarHBondContact O-N 3.47Å; A262-T266 PolarHBondContact O-OG1 3.33Å
263V83.3Confident80.7Confident3 Ų326.2 Ų26.22%0.01814%0.136CC..Hα-helixtrans-63.3-45.4176.4175.50000110.5V87 P89 A259 A265 K267 I270V87-V263 WeakPolarHBondContact O-CG1 3.27Å; P89-V263 HydrophobicContact CB-CG1 4.08Å; P89-V263 HydrophobicContact CG-CG1 4.16Å; A259-V263 WeakPolarHBondContact O-CG2 3.37Å; A259-V263 PolarHBondContact O-N 2.85Å; V263-A265 PolarHBondContact O-N 3.22Å; V263-K267 WeakPolarHBondContact O-CA 3.3Å; V263-K267 PolarHBondContact O-N 3Å; V263-I270 HydrophobicContact CG2-CD1 3.56Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å
264A79Confident82Confident22 Ų2218.4 Ų18.418%0.18210%0.1CC..Hα-helixtrans-59.2-37.6179.300000112.5L48 L260 K267L48-A264 HydrophobicContact CD1-CB 3.8Å; L48-A264 HydrophobicContact CD2-CB 3.86Å; L48-A264 HydrophobicContact CG-CB 4.48Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.71Å; L260-A264 VanDerWaalsContact O-N 3.07Å; A264-K267 VanDerWaalsContact O-CE 3.28Å; A264-K267 WeakPolarHBondContact O-CE 3.41Å; A264-K267 PolarHBondContact O-NZ 3.49Å
265A83.8Confident83.1Confident25 Ų2519.5 Ų19.521%0.20711%0.107CC..Hα-helixtrans-79.5-46.618000000113.6E230 A233 K234 S261 A262 V263E230-A265 HydrophobicContact CG-CB 4.1Å; A233-A265 HydrophobicContact CB-CB 4.03Å; K234-A265 HydrophobicContact CB-CB 4.44Å; S261-A265 WeakPolarHBondContact O-CB 3.25Å; S261-A265 PolarHBondContact O-N 2.88Å; S261-A265 VanDerWaalsContact O-N 3.08Å; A262-A265 PolarHBondContact O-N 3.15Å; V263-A265 PolarHBondContact O-N 3.22Å
266T85.4Confident84.1Confident1 Ų116.7 Ų16.71%0.00610%0.098CC..Hα-helixtrans-81.3-24.1-175.458.30000113.6A233 K237 V242 A262 S268A233-T266 HydrophobicContact CB-CG2 3.8Å; K237-T266 HydrophobicContact CB-CG2 4.33Å; K237-T266 VanDerWaalsContact CE-O 3.26Å; K237-T266 WeakPolarHBondContact CE-O 3.05Å; V242-T266 HydrophobicContact CG1-CG2 4.4Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.39Å; A262-T266 PolarHBondContact O-N 3.47Å; A262-T266 PolarHBondContact O-OG1 3.33Å; T266-S268 PolarHBondContact O-N 3.49Å; T266-S268 PolarHBondContact O-OG 2.92Å; T266-S268 PolarHBondContact OG1-N 3.15Å
267K87.6Confident85Confident134 Ų13424.6 Ų24.658%0.58313%0.134SC*.  trans56.621.9-167.1-53.5-56.7-173-162.80113.3P89 V263 A264P89-K267 WeakPolarHBondContact CB-O 3.21Å; V263-K267 WeakPolarHBondContact O-CA 3.3Å; V263-K267 PolarHBondContact O-N 3Å; A264-K267 VanDerWaalsContact O-CE 3.28Å; A264-K267 WeakPolarHBondContact O-CE 3.41Å; A264-K267 PolarHBondContact O-NZ 3.49Å
268S90Very high85.8Confident4 Ų430.9 Ų30.93%0.02816%0.162CC..  trans-107.1139.1-177.7-590000110.3V242 S243 T266V242-S268 PolarHBondContact O-OG 3.05Å; S243-S268 WeakPolarHBondContact O-CB 3.46Å; T266-S268 PolarHBondContact O-N 3.49Å; T266-S268 PolarHBondContact O-OG 2.92Å; T266-S268 PolarHBondContact OG1-N 3.15Å
269P91.6Very high86.5Confident12 Ų1232.9 Ų32.98%0.07817%0.172CC..  trans-70.7146.6-178.127.9-34.1000111.6P89 A93 S243 V245P89-P269 HydrophobicContact CG-CB 3.93Å; A93-P269 HydrophobicContact CB-CG 4.25Å; S243-P269 WeakPolarHBondContact O-CD 3.24Å; V245-P269 PolarHBondContact N-O 2.69Å
270I90.9Very high86.9Confident11 Ų1136.5 Ų36.56%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-76.5125.1167-55.9167.6000107.4V87 V245 V247 A259 V263 F285V87-I270 HydrophobicContact CG1-CD1 4.34Å; V245-I270 HydrophobicContact CB-CG1 4.14Å; V245-I270 HydrophobicContact CG1-CG1 4.2Å; V245-I270 CarbonylContact O-C 3.53Å; V245-I270 VanDerWaalsContact O-CA 3.29Å; V245-I270 WeakPolarHBondContact O-CA 3.24Å; V247-I270 HydrophobicContact CG2-CD1 4.07Å; V247-I270 HydrophobicContact CG2-CG1 4.38Å; V247-I270 HydrophobicContact CG2-CG2 4Å; A259-I270 HydrophobicContact CB-CD1 4.15Å; V263-I270 HydrophobicContact CG2-CD1 3.56Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å; I270-F285 HydrophobicContact CB-CB 4.31Å; I270-F285 HydrophobicContact CB-CD1 3.54Å; I270-F285 HydrophobicContact CB-CE1 3.87Å; I270-F285 HydrophobicContact CB-CG 3.86Å; I270-F285 HydrophobicContact CB-CZ 4.47Å; I270-F285 HydrophobicContact CD1-CE1 4.11Å; I270-F285 HydrophobicContact CD1-CE2 4.43Å; I270-F285 HydrophobicContact CD1-CZ 4.02Å; I270-F285 HydrophobicContact CG1-CE1 4.5Å; I270-F285 HydrophobicContact CG2-CB 3.72Å; I270-F285 HydrophobicContact CG2-CD1 3.8Å; I270-F285 HydrophobicContact CG2-CD2 3.96Å; I270-F285 HydrophobicContact CG2-CE1 4.37Å; I270-F285 HydrophobicContact CG2-CE2 4.49Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.32Å
271I92.5Very high87.5Confident18 Ų1837.6 Ų37.69%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-102.1-33.4-176.255165.2000112.9A93 V218 V245 I246 F285A93-I271 HydrophobicContact CB-CG2 3.72Å; V218-I271 HydrophobicContact CG1-CD1 4.47Å; V218-I271 HydrophobicContact CG2-CD1 4.37Å; V245-I271 WeakPolarHBondContact O-CG1 3.24Å; V245-I271 PolarHBondContact O-N 3.38Å; I246-I271 HydrophobicContact CD1-CD1 4.19Å; I246-I271 HydrophobicContact CD1-CG1 4.32Å; I246-I271 HydrophobicContact CG1-CD1 4.1Å; I246-I271 HydrophobicContact CG1-CG1 3.75Å; I271-F285 PolarHBondContact O-N 3.25Å
272F93Very high88Confident12 Ų1238.1 Ų38.15%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-144.2158.5-179.3-69.6-86.7000111.7L121 Y124 I246 V247 L282 E283 P284L121-F272 HydrophobicContact CD1-CD2 3.78Å; L121-F272 HydrophobicContact CD1-CE1 4.36Å; L121-F272 HydrophobicContact CD1-CE2 3.43Å; L121-F272 VanDerWaalsContact CD1-CE2 3.43Å; L121-F272 HydrophobicContact CD1-CG 4.42Å; L121-F272 HydrophobicContact CD1-CZ 3.76Å; Y124-F272 AromaticContact CD1-CE1 3.96Å; Y124-F272 HydrophobicContact CD1-CE1 3.96Å; Y124-F272 AromaticContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD2-CE1 4.35Å; Y124-F272 AromaticContact CE1-CE1 3.67Å; Y124-F272 HydrophobicContact CE1-CE1 3.67Å; Y124-F272 AromaticContact CE1-CZ 3.58Å; Y124-F272 HydrophobicContact CE1-CZ 3.58Å; Y124-F272 HydrophobicContact CE2-CE1 4.09Å; Y124-F272 HydrophobicContact CG-CE1 4.29Å; Y124-F272 AromaticContact CZ-CE1 3.71Å; I246-F272 WeakPolarHBondContact CA-O 3.37Å; I246-F272 HydrophobicContact CD1-CB 4.14Å; I246-F272 HydrophobicContact CD1-CD2 4.26Å; I246-F272 HydrophobicContact CG1-CB 4.04Å; I246-F272 HydrophobicContact CG2-CB 4.25Å; V247-F272 PolarHBondContact N-O 2.92Å; F272-L282 HydrophobicContact CB-CD1 3.88Å; F272-L282 HydrophobicContact CB-CG 4.22Å; F272-L282 HydrophobicContact CD1-CD2 4.03Å; F272-L282 HydrophobicContact CD1-CG 3.93Å; F272-L282 HydrophobicContact CE1-CD2 4.49Å; F272-L282 HydrophobicContact CG-CD1 4.45Å; F272-L282 HydrophobicContact CG-CD2 4.31Å; F272-L282 HydrophobicContact CG-CG 4.3Å; F272-E283 CarbonylContact C-O 3.47Å; F272-E283 WeakPolarHBondContact CA-O 3.48Å; F272-P284 HydrophobicContact CD1-CB 4.5Å; F272-P284 HydrophobicContact CD1-CG 4.48Å; F272-P284 HydrophobicContact CE1-CB 4.33Å; F272-P284 HydrophobicContact CE1-CG 4.07Å
273I90.3Very high88.2Confident18 Ų1840.2 Ų40.29%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-125.2135.2170.454.1170.7000111.3V247 L250 T275 E283 F285V247-I273 HydrophobicContact CB-CG2 4.33Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.31Å; V247-I273 WeakPolarHBondContact O-CA 3.46Å; L250-I273 HydrophobicContact CD1-CB 3.69Å; L250-I273 HydrophobicContact CD1-CD1 4.25Å; L250-I273 HydrophobicContact CD1-CG2 3.52Å; I273-T275 HydrophobicContact CD1-CG2 4.02Å; I273-T275 HydrophobicContact CG1-CG2 4.18Å; I273-E283 HydrophobicContact CD1-CB 4.39Å; I273-E283 HydrophobicContact CG1-CB 3.96Å; I273-E283 WeakPolarHBondContact CG1-O 3.33Å; I273-E283 PolarHBondContact N-O 3.36Å; I273-E283 PolarHBondContact O-N 2.81Å; I273-F285 HydrophobicContact CG2-CB 4.26Å; I273-F285 HydrophobicContact CG2-CD2 3.53Å; I273-F285 HydrophobicContact CG2-CE2 4.32Å; I273-F285 HydrophobicContact CG2-CG 4.31Å
274G90.3Very high88.5Confident3 Ų342.7 Ų42.73%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-92.1117.9171.900000110.6V247 K249 L250V247-G274 PolarHBondContact O-N 2.89Å; K249-G274 PolarHBondContact N-O 3.19Å; L250-G274 PolarHBondContact N-O 2.79Å
275T85.7Confident88.8Confident33 Ų3342.6 Ų42.620%0.20222%0.221CC..  trans-114.426.7-172.457.30000112.9D251 I273 D281 E283D251-T275 WeakPolarHBondContact CB-O 3.42Å; I273-T275 HydrophobicContact CD1-CG2 4.02Å; I273-T275 HydrophobicContact CG1-CG2 4.18Å; T275-D281 PolarHBondContact N-O 2.89Å; T275-E283 HydrophobicContact CG2-CG 4.43Å
276G86.8Confident88.8Confident15 Ų1545.6 Ų45.616%0.15523%0.229CC..SBendtrans162.6-172.9-178.900000112.2K120 D251 D281K120-G276 PolarHBondContact NZ-O 3.17Å; D251-G276 PolarHBondContact OD1-N 3.45Å; G276-D281 VanDerWaalsContact CA-OD2 3.3Å; G276-D281 WeakPolarHBondContact CA-OD2 3.38Å
277E88.2Confident88.6Confident174 Ų17446.9 Ų46.981%0.81324%0.236SC*.SBendtrans-98.4-20.6-180-64.1-169.1162.900113.2D281E277-D281 PolarHBondContact N-OD2 2.97Å
278H88.9Confident88.3Confident133 Ų13345.9 Ų45.962%0.61623%0.234SC*.SBendtrans-70.6155.5-178.6-57.8-69.3000111.3K120 D280 D281K120-H278 WeakPolarHBondContact CE-O 3.3Å; K120-H278 PolarHBondContact NZ-O 2.73Å; H278-D280 PolarHBondContact O-N 3.3Å; H278-D281 WeakPolarHBondContact CA-OD2 3.19Å; H278-D281 VanDerWaalsContact CB-OD2 3.23Å; H278-D281 WeakPolarHBondContact CB-OD2 3.36Å; H278-D281 IonicContact CD2-OD2 3.35Å; H278-D281 PolarHBondContact CD2-OD2 3.25Å; H278-D281 IonicContact CG-OD2 2.69Å; H278-D281 PolarHBondContact N-OD2 2.94Å; H278-D281 WeakPolarHBondContact O-CB 3.11Å; H278-D281 PolarHBondContact O-N 3.43Å
279I89.2Confident87.6Confident44 Ų4446.3 Ų46.323%0.22624%0.237CC..THydrogen-bonded Turntrans-64.3-27.1-175-160.4165.7000113.2K120 Y123 A155 D281K120-I279 WeakPolarHBondContact CG-O 3.3Å; Y123-I279 HydrophobicContact CD1-CG1 4.18Å; Y123-I279 HydrophobicContact CD1-CG2 4.36Å; Y123-I279 HydrophobicContact CD2-CD1 4.28Å; Y123-I279 HydrophobicContact CE1-CG2 4.31Å; Y123-I279 HydrophobicContact CG-CD1 4.03Å; Y123-I279 HydrophobicContact CG-CG1 3.99Å; A155-I279 HydrophobicContact CB-CD1 3.27Å; I279-D281 VanDerWaalsContact C-N 3.33Å
280D87.6Confident87Confident84 Ų8447.5 Ų47.545%0.44924%0.241SC..THydrogen-bonded Turntrans-81.7-11.2177.2-54.9-76.9000112.9Y123 H278 L282Y123-D280 WeakPolarHBondContact CE1-OD1 3.39Å; Y123-D280 VanDerWaalsContact CZ-OD1 3.25Å; Y123-D280 PolarHBondContact OH-OD1 3.03Å; H278-D280 PolarHBondContact O-N 3.3Å; D280-L282 PolarHBondContact O-N 2.8Å
281D89.8Confident86.5Confident42 Ų4247.1 Ų47.123%0.22524%0.239CC..  trans-82.557.5-175-57.3-23.5000111.6K120 T275 G276 E277 H278 I279K120-D281 PolarHBondContact NZ-O 2.89Å; T275-D281 PolarHBondContact N-O 2.89Å; G276-D281 VanDerWaalsContact CA-OD2 3.3Å; G276-D281 WeakPolarHBondContact CA-OD2 3.38Å; E277-D281 PolarHBondContact N-OD2 2.97Å; H278-D281 WeakPolarHBondContact CA-OD2 3.19Å; H278-D281 VanDerWaalsContact CB-OD2 3.23Å; H278-D281 WeakPolarHBondContact CB-OD2 3.36Å; H278-D281 IonicContact CD2-OD2 3.35Å; H278-D281 PolarHBondContact CD2-OD2 3.25Å; H278-D281 IonicContact CG-OD2 2.69Å; H278-D281 PolarHBondContact N-OD2 2.94Å; H278-D281 WeakPolarHBondContact O-CB 3.11Å; H278-D281 PolarHBondContact O-N 3.43Å; I279-D281 VanDerWaalsContact C-N 3.33Å
282L91.1Very high85.7Confident12 Ų1247.4 Ų47.46%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-135.5117.8174.3-172.475000109.4T117 K120 L121 F272 D280T117-L282 HydrophobicContact CG2-CD1 4.41Å; K120-L282 HydrophobicContact CB-CB 3.94Å; K120-L282 HydrophobicContact CB-CD1 4.47Å; K120-L282 HydrophobicContact CB-CD2 3.87Å; K120-L282 HydrophobicContact CB-CG 4.32Å; K120-L282 HydrophobicContact CD-CB 4.26Å; L121-L282 HydrophobicContact CB-CD2 4.16Å; L121-L282 HydrophobicContact CD1-CD2 4.02Å; F272-L282 HydrophobicContact CB-CD1 3.88Å; F272-L282 HydrophobicContact CB-CG 4.22Å; F272-L282 HydrophobicContact CD1-CD2 4.03Å; F272-L282 HydrophobicContact CD1-CG 3.93Å; F272-L282 HydrophobicContact CE1-CD2 4.49Å; F272-L282 HydrophobicContact CG-CD1 4.45Å; F272-L282 HydrophobicContact CG-CD2 4.31Å; F272-L282 HydrophobicContact CG-CG 4.3Å; D280-L282 PolarHBondContact O-N 2.8Å
283E86.9Confident84.7Confident44 Ų4450.6 Ų50.621%0.20626%0.256CS..EExtended strand (participates in β ladder)trans-115.9140.5-177-56.4-171.8151.400110.5F272 I273 T275 F285 K306 Q347F272-E283 CarbonylContact C-O 3.47Å; F272-E283 WeakPolarHBondContact CA-O 3.48Å; I273-E283 HydrophobicContact CD1-CB 4.39Å; I273-E283 HydrophobicContact CG1-CB 3.96Å; I273-E283 WeakPolarHBondContact CG1-O 3.33Å; I273-E283 PolarHBondContact N-O 3.36Å; I273-E283 PolarHBondContact O-N 2.81Å; T275-E283 HydrophobicContact CG2-CG 4.43Å; E283-F285 PolarHBondContact O-N 2.85Å; E283-K306 IonicContact OE1-NZ 2.83Å; E283-K306 PolarHBondContact OE1-NZ 2.77Å; E283-Q347 VanDerWaalsContact CD-NE2 3.34Å; E283-Q347 PolarHBondContact OE1-NE2 3.29Å; E283-Q347 PolarHBondContact OE2-NE2 2.69Å
284P89.2Confident83.8Confident56 Ų5650.5 Ų50.536%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-58.5136.4171.1-22.533.9000110.8Y124 F272Y124-P284 HydrophobicContact CE2-CG 4.15Å; Y124-P284 WeakPolarHBondContact OH-CG 3.38Å; F272-P284 HydrophobicContact CD1-CB 4.5Å; F272-P284 HydrophobicContact CD1-CG 4.48Å; F272-P284 HydrophobicContact CE1-CB 4.33Å; F272-P284 HydrophobicContact CE1-CG 4.07Å
285F86.8Confident82.8Confident20 Ų2050.7 Ų50.79%0.08826%0.256CS..  trans-85.8127.7176.1-175.8-97.3000110.8V87 I270 I271 I273 E283 F290V87-F285 HydrophobicContact CG1-CE1 3.9Å; V87-F285 HydrophobicContact CG1-CZ 3.66Å; I270-F285 HydrophobicContact CB-CB 4.31Å; I270-F285 HydrophobicContact CB-CD1 3.54Å; I270-F285 HydrophobicContact CB-CE1 3.87Å; I270-F285 HydrophobicContact CB-CG 3.86Å; I270-F285 HydrophobicContact CB-CZ 4.47Å; I270-F285 HydrophobicContact CD1-CE1 4.11Å; I270-F285 HydrophobicContact CD1-CE2 4.43Å; I270-F285 HydrophobicContact CD1-CZ 4.02Å; I270-F285 HydrophobicContact CG1-CE1 4.5Å; I270-F285 HydrophobicContact CG2-CB 3.72Å; I270-F285 HydrophobicContact CG2-CD1 3.8Å; I270-F285 HydrophobicContact CG2-CD2 3.96Å; I270-F285 HydrophobicContact CG2-CE1 4.37Å; I270-F285 HydrophobicContact CG2-CE2 4.49Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.32Å; I271-F285 PolarHBondContact O-N 3.25Å; I273-F285 HydrophobicContact CG2-CB 4.26Å; I273-F285 HydrophobicContact CG2-CD2 3.53Å; I273-F285 HydrophobicContact CG2-CE2 4.32Å; I273-F285 HydrophobicContact CG2-CG 4.31Å; E283-F285 PolarHBondContact O-N 2.85Å; F285-F290 HydrophobicContact CD2-CB 4.44Å; F285-F290 HydrophobicContact CD2-CD2 4.39Å; F285-F290 HydrophobicContact CD2-CG 4.41Å; F285-F290 HydrophobicContact CE2-CB 3.66Å; F285-F290 AromaticContact CE2-CD1 3.82Å; F285-F290 HydrophobicContact CE2-CD1 3.82Å; F285-F290 AromaticContact CE2-CD2 3.69Å; F285-F290 HydrophobicContact CE2-CD2 3.69Å; F285-F290 HydrophobicContact CE2-CE1 4.38Å; F285-F290 HydrophobicContact CE2-CE2 4.26Å; 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 3.96Å; F285-F290 AromaticContact CZ-CD1 3.97Å; F285-F290 HydrophobicContact CZ-CD1 3.97Å; F285-F290 AromaticContact CZ-CG 3.93Å; F285-F290 HydrophobicContact CZ-CG 3.93Å
286K82.3Confident81.8Confident88 Ų8851.8 Ų51.838%0.38327%0.273SS..  trans-125.8124.1168.9-65.8-178.4174.9-178.20109Q288 P289 F290 D305K286-Q288 PolarHBondContact O-N 3.24Å; K286-P289 HydrophobicContact CB-CB 4.14Å; K286-P289 HydrophobicContact CB-CG 3.63Å; K286-P289 HydrophobicContact CD-CG 4.11Å; K286-F290 VanDerWaalsContact O-CB 3.3Å; K286-F290 WeakPolarHBondContact O-CB 3.27Å; K286-F290 PolarHBondContact O-N 3.23Å; K286-D305 IonicContact NZ-OD2 2.62Å; K286-D305 PolarHBondContact NZ-OD2 3.46Å
287T82.4Confident80.8Confident27 Ų2756.3 Ų56.317%0.16629%0.292CS..Hα-helixtrans-60.6-49-172.5-510000113.2V84 V87 D88 F290 I291V84-T287 HydrophobicContact CB-CG2 4.5Å; V84-T287 HydrophobicContact CG1-CG2 3.99Å; V87-T287 HydrophobicContact CB-CG2 3.61Å; V87-T287 HydrophobicContact CG1-CG2 3.8Å; V87-T287 HydrophobicContact CG2-CG2 4.38Å; D88-T287 HydrophobicContact CB-CG2 4.32Å; T287-F290 PolarHBondContact O-N 3.23Å; T287-I291 WeakPolarHBondContact O-CG1 3.27Å; T287-I291 PolarHBondContact O-N 2.61Å
288Q81.1Confident79.4Confident113 Ų11348.3 Ų48.353%0.52826%0.256SS..Hα-helixtrans-64.7-51.8-178-72.6-171.920.700112.6V84 K286 F290 I291 S292V84-Q288 HydrophobicContact CG2-CG 4.47Å; K286-Q288 PolarHBondContact O-N 3.24Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 3.18Å; Q288-I291 PolarHBondContact O-N 3.03Å; Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.47Å; Q288-S292 PolarHBondContact O-N 3.23Å
289P76.1Confident78.3Confident13 Ų1342.7 Ų42.78%0.08423%0.231CC..Hα-helixtrans-50.8-44.9170.8-35.640.6000114K286 I291 S292 K293 D299K286-P289 HydrophobicContact CB-CB 4.14Å; K286-P289 HydrophobicContact CB-CG 3.63Å; K286-P289 HydrophobicContact CD-CG 4.11Å; P289-I291 PolarHBondContact O-N 3.39Å; P289-S292 PolarHBondContact O-N 2.84Å; P289-K293 VanDerWaalsContact O-CB 3.27Å; P289-K293 WeakPolarHBondContact O-CB 3.19Å; P289-K293 PolarHBondContact O-N 2.96Å; P289-D299 WeakPolarHBondContact CB-OD1 3.35Å
290F78.5Confident76.8Confident38 Ų3845.6 Ų45.617%0.16725%0.246CC..Hα-helixtrans-62.5-46.5-179.4-178.8-99.3000112.2L3 L250 F285 K286 T287 Q288 K293 L294L3-F290 HydrophobicContact CD1-CE2 3.77Å; L3-F290 HydrophobicContact CD1-CZ 3.85Å; L3-F290 HydrophobicContact CD2-CZ 3.93Å; L250-F290 HydrophobicContact CD1-CE2 4.38Å; F285-F290 HydrophobicContact CD2-CB 4.44Å; F285-F290 HydrophobicContact CD2-CD2 4.39Å; F285-F290 HydrophobicContact CD2-CG 4.41Å; F285-F290 HydrophobicContact CE2-CB 3.66Å; F285-F290 AromaticContact CE2-CD1 3.82Å; F285-F290 HydrophobicContact CE2-CD1 3.82Å; F285-F290 AromaticContact CE2-CD2 3.69Å; F285-F290 HydrophobicContact CE2-CD2 3.69Å; F285-F290 HydrophobicContact CE2-CE1 4.38Å; F285-F290 HydrophobicContact CE2-CE2 4.26Å; 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 3.96Å; F285-F290 AromaticContact CZ-CD1 3.97Å; F285-F290 HydrophobicContact CZ-CD1 3.97Å; F285-F290 AromaticContact CZ-CG 3.93Å; F285-F290 HydrophobicContact CZ-CG 3.93Å; K286-F290 VanDerWaalsContact O-CB 3.3Å; K286-F290 WeakPolarHBondContact O-CB 3.27Å; K286-F290 PolarHBondContact O-N 3.23Å; T287-F290 PolarHBondContact O-N 3.23Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 3.18Å; F290-K293 PolarHBondContact O-N 2.93Å; F290-L294 WeakPolarHBondContact O-CB 3.2Å; F290-L294 PolarHBondContact O-N 3.24Å
291I79.6Confident75.4Confident3 Ų346.7 Ų46.72%0.01525%0.248CC..Hα-helixtrans-70.8-35.5178-62.4-58.3000111.7F80 L83 V84 V87 T287 Q288 P289 L294 L295F80-I291 HydrophobicContact CD2-CG2 3.88Å; F80-I291 HydrophobicContact CE2-CB 4.26Å; F80-I291 HydrophobicContact CE2-CG2 3.8Å; F80-I291 HydrophobicContact CZ-CG2 4.45Å; L83-I291 HydrophobicContact CB-CD1 4.39Å; L83-I291 HydrophobicContact CB-CG2 3.95Å; L83-I291 HydrophobicContact CD1-CG2 4.42Å; V84-I291 HydrophobicContact CG2-CB 4.12Å; V84-I291 HydrophobicContact CG2-CG1 4.11Å; V84-I291 HydrophobicContact CG2-CG2 4.17Å; V87-I291 HydrophobicContact CG2-CD1 3.77Å; V87-I291 HydrophobicContact CG2-CG1 4.2Å; T287-I291 WeakPolarHBondContact O-CG1 3.27Å; T287-I291 PolarHBondContact O-N 2.61Å; Q288-I291 PolarHBondContact O-N 3.03Å; P289-I291 PolarHBondContact O-N 3.39Å; I291-L294 HydrophobicContact CD1-CD2 4.23Å; I291-L294 WeakPolarHBondContact O-CB 3.41Å; I291-L294 PolarHBondContact O-N 3.03Å; I291-L295 HydrophobicContact CG2-CD1 3.81Å; I291-L295 HydrophobicContact CG2-CG 4.44Å; I291-L295 WeakPolarHBondContact O-CB 3.32Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.95Å
292S76.8Confident74.2Confident23 Ų2345.2 Ų45.216%0.16124%0.243CC..Hα-helixtrans-64.5-42.8175.1-166.70000111.9Q288 P289 L295 G296 M297 G298Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.47Å; Q288-S292 PolarHBondContact O-N 3.23Å; P289-S292 PolarHBondContact O-N 2.84Å; S292-L295 PolarHBondContact O-N 2.78Å; S292-G296 PolarHBondContact O-N 2.76Å; S292-M297 PolarHBondContact O-N 3.01Å; S292-M297 WeakPolarHBondContact OG-CB 3.38Å; S292-G298 VanDerWaalsContact CB-O 3.31Å; S292-G298 WeakPolarHBondContact CB-O 3.5Å; S292-G298 PolarHBondContact OG-O 3.4Å
293K70.7Confident72.8Confident79 Ų7947 Ų4734%0.34325%0.252SS..Hα-helixtrans-63.2-42.4172.7-174.4176.4-177.4176.20111.5P289 F290 L295 G296P289-K293 VanDerWaalsContact O-CB 3.27Å; P289-K293 WeakPolarHBondContact O-CB 3.19Å; P289-K293 PolarHBondContact O-N 2.96Å; F290-K293 PolarHBondContact O-N 2.93Å; K293-L295 VanDerWaalsContact C-N 3.3Å; K293-L295 PolarHBondContact O-N 2.92Å; K293-G296 PolarHBondContact O-N 3.05Å
294L72.1Confident71.6Confident17 Ų1749 Ų499%0.08926%0.264CS..Hα-helixtrans-58-43.7173.9-172.866.3000110.8L3 L6 G7 F290 I291 G296L3-L294 HydrophobicContact CB-CD1 4.34Å; L3-L294 HydrophobicContact CD2-CD1 3.9Å; L3-L294 VanDerWaalsContact O-CD1 3.24Å; L3-L294 WeakPolarHBondContact O-CD1 3.41Å; L6-L294 HydrophobicContact CB-CD1 4.19Å; L6-L294 HydrophobicContact CD2-CD1 3.89Å; L6-L294 HydrophobicContact CD2-CD2 4.2Å; L6-L294 HydrophobicContact CG-CD1 3.97Å; G7-L294 WeakPolarHBondContact CA-O 3.23Å; F290-L294 WeakPolarHBondContact O-CB 3.2Å; F290-L294 PolarHBondContact O-N 3.24Å; I291-L294 HydrophobicContact CD1-CD2 4.23Å; I291-L294 WeakPolarHBondContact O-CB 3.41Å; I291-L294 PolarHBondContact O-N 3.03Å; L294-G296 PolarHBondContact O-N 3.44Å
295L68.8Low70.6Confident7 Ų749.4 Ų49.44%0.03726%0.262CS..THydrogen-bonded Turntrans-82.54.5-178.3-66.3167.7000114.3I10 T11 L14 F80 L83 I291 S292 K293 M297I10-L295 HydrophobicContact CB-CD2 4.16Å; I10-L295 HydrophobicContact CG2-CD2 3.29Å; T11-L295 PolarHBondContact OG1-O 3.32Å; T11-L295 VanDerWaalsContact OG1-O 3.1Å; L14-L295 HydrophobicContact CD1-CD2 4.07Å; F80-L295 HydrophobicContact CB-CD1 4.23Å; F80-L295 HydrophobicContact CD2-CD1 3.49Å; F80-L295 VanDerWaalsContact CD2-CD1 3.49Å; F80-L295 HydrophobicContact CE2-CD1 4.29Å; F80-L295 HydrophobicContact CG-CD1 4.31Å; L83-L295 HydrophobicContact CD1-CD1 4.28Å; L83-L295 HydrophobicContact CD1-CD2 4.19Å; I291-L295 HydrophobicContact CG2-CD1 3.81Å; I291-L295 HydrophobicContact CG2-CG 4.44Å; I291-L295 WeakPolarHBondContact O-CB 3.32Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.95Å; S292-L295 PolarHBondContact O-N 2.78Å; K293-L295 VanDerWaalsContact C-N 3.3Å; K293-L295 PolarHBondContact O-N 2.92Å; L295-M297 HydrophobicContact CB-CG 4.08Å; L295-M297 HydrophobicContact CB-SD 4.22Å; L295-M297 HydrophobicContact CD1-SD 4.45Å; L295-M297 PolarHBondContact O-N 3.18Å
296G65.4Low69.4Low55 Ų5550.7 Ų50.757%0.56727%0.268SS*.THydrogen-bonded Turntrans6518.7-178.800000114S292 K293 L294 G298S292-G296 PolarHBondContact O-N 2.76Å; K293-G296 PolarHBondContact O-N 3.05Å; L294-G296 PolarHBondContact O-N 3.44Å; G296-G298 VanDerWaalsContact C-N 3.26Å
297M64.5Low68.4Low110 Ų11049.5 Ų49.554%0.54227%0.268SS..SBendtrans-80.9-8.9178.3-66.3179.666.600112.4F80 S292 L295 P353F80-M297 HydrophobicContact CD2-SD 4.38Å; S292-M297 PolarHBondContact O-N 3.01Å; S292-M297 WeakPolarHBondContact OG-CB 3.38Å; L295-M297 HydrophobicContact CB-CG 4.08Å; L295-M297 HydrophobicContact CB-SD 4.22Å; L295-M297 HydrophobicContact CD1-SD 4.45Å; L295-M297 PolarHBondContact O-N 3.18Å; M297-P353 WeakPolarHBondContact O-CB 3.38Å
298G59.7Low67.4Low6 Ų653.3 Ų53.36%0.06229%0.287CS..  trans88170.5-176.600000112.4S292 G296S292-G298 VanDerWaalsContact CB-O 3.31Å; S292-G298 WeakPolarHBondContact CB-O 3.5Å; S292-G298 PolarHBondContact OG-O 3.4Å; G296-G298 VanDerWaalsContact C-N 3.26Å
299D65.8Low66.4Low15 Ų1553.6 Ų53.68%0.0829%0.289CS..  trans-133.183.7-179.8179.914.2000109.5P289 G302 L303 M351P289-D299 WeakPolarHBondContact CB-OD1 3.35Å; D299-G302 PolarHBondContact OD1-N 3.44Å; D299-G302 WeakPolarHBondContact OD2-CA 3.46Å; D299-L303 WeakPolarHBondContact O-CB 3.4Å; D299-L303 PolarHBondContact O-N 3.15Å; D299-M351 CarbonylContact C-O 3.6Å; D299-M351 HydrophobicContact CB-CB 4.34Å; D299-M351 HydrophobicContact CB-CG 4.2Å; D299-M351 PolarHBondContact N-O 2.92Å
300I57.2Low65.5Low106 Ų10656.2 Ų56.254%0.54430%0.302SS..Hα-helixtrans-68.5-38-178.6-58176.3000110.4I304 P353I300-I304 HydrophobicContact CG2-CD1 4.05Å; I300-I304 WeakPolarHBondContact O-CD1 3.5Å; I300-I304 VanDerWaalsContact O-CG1 3.28Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.62Å; I300-I304 VanDerWaalsContact O-N 3.14Å; I300-P353 HydrophobicContact CD1-CG 3.86Å; I300-P353 HydrophobicContact CG1-CG 3.63Å
301E59.5Low64.4Low106 Ų10661.5 Ų61.550%0.49532%0.324SS..Hα-helixtrans-68.4-46.5-179.2-70.3-17417300111.9L303 I304 D305E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.46Å; E301-I304 PolarHBondContact O-N 2.94Å; E301-D305 PolarHBondContact O-N 3.32Å
302G62.8Low63Low11 Ų1164.6 Ų64.611%0.11334%0.341CS..Hα-helixtrans-65.4-32.6177.200000113.1D299 D305 K306D299-G302 PolarHBondContact OD1-N 3.44Å; D299-G302 WeakPolarHBondContact OD2-CA 3.46Å; G302-D305 PolarHBondContact O-N 2.95Å; G302-K306 WeakPolarHBondContact O-CB 3.4Å; G302-K306 PolarHBondContact O-N 3.44Å
303L62Low61.6Low50 Ų5070.4 Ų70.426%0.26237%0.37SS..Hα-helixtrans-62.8-44.5171.8-176.566.8000111.3D299 E301 K306 V307 I348 M351 I352D299-L303 WeakPolarHBondContact O-CB 3.4Å; D299-L303 PolarHBondContact O-N 3.15Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.46Å; L303-K306 PolarHBondContact O-N 3.05Å; L303-V307 WeakPolarHBondContact O-CB 3.42Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.22Å; L303-V307 PolarHBondContact O-N 3.49Å; L303-I348 HydrophobicContact CD1-CG2 4.09Å; L303-M351 HydrophobicContact CB-CB 4.23Å; L303-M351 HydrophobicContact CD1-CB 4.47Å; L303-I352 HydrophobicContact CD2-CG1 4.4Å
304I62.7Low60.5Low87 Ų8773 Ų7345%0.44639%0.387SS..Hα-helixtrans-62.5-45.1177.6-69.1164.7000110.5I300 E301 K306 V307 N308I300-I304 HydrophobicContact CG2-CD1 4.05Å; I300-I304 WeakPolarHBondContact O-CD1 3.5Å; I300-I304 VanDerWaalsContact O-CG1 3.28Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.62Å; I300-I304 VanDerWaalsContact O-N 3.14Å; E301-I304 PolarHBondContact O-N 2.94Å; I304-K306 PolarHBondContact O-N 3.05Å; I304-V307 PolarHBondContact O-N 3Å; I304-N308 WeakPolarHBondContact O-CB 3.47Å; I304-N308 PolarHBondContact O-N 3.05Å; I304-N308 PolarHBondContact O-ND2 2.96Å
305D66.9Low59.6Low63 Ų6375 Ų7534%0.33740%0.398SS..Hα-helixtrans-61.1-44.7178.2-73.8-19.8000112.1K286 E301 G302 V307 N308 E309K286-D305 IonicContact NZ-OD2 2.62Å; K286-D305 PolarHBondContact NZ-OD2 3.46Å; E301-D305 PolarHBondContact O-N 3.32Å; G302-D305 PolarHBondContact O-N 2.95Å; D305-V307 VanDerWaalsContact C-N 3.34Å; D305-V307 PolarHBondContact O-N 2.91Å; D305-N308 PolarHBondContact O-N 3.22Å; D305-E309 WeakPolarHBondContact O-CG 3.48Å; D305-E309 PolarHBondContact O-N 3.42Å
306K62.8Low59Low47 Ų4781.7 Ų81.720%0.20443%0.43CS..Hα-helixtrans-67-36.3179.5-156.8151.7-170.4165.20111.6E283 G302 L303 I304 L310E283-K306 IonicContact OE1-NZ 2.83Å; E283-K306 PolarHBondContact OE1-NZ 2.77Å; G302-K306 WeakPolarHBondContact O-CB 3.4Å; G302-K306 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 3.05Å; I304-K306 PolarHBondContact O-N 3.05Å; K306-L310 HydrophobicContact CG-CD1 4.44Å; K306-L310 WeakPolarHBondContact O-CB 3.49Å; K306-L310 VanDerWaalsContact O-CD1 3.32Å; K306-L310 WeakPolarHBondContact O-CD1 3.42Å; K306-L310 WeakPolarHBondContact O-CG 3.21Å; K306-L310 PolarHBondContact O-N 3.44Å; K306-L310 VanDerWaalsContact O-N 3.15Å
307V61.7Low58.7Low63 Ų6386 Ų8638%0.38244%0.435SS..Hα-helixtrans-64.2-42.6172.3166.30000111.4L303 I304 D305 L310 K311 L312L303-V307 WeakPolarHBondContact O-CB 3.42Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.22Å; L303-V307 PolarHBondContact O-N 3.49Å; I304-V307 PolarHBondContact O-N 3Å; D305-V307 VanDerWaalsContact C-N 3.34Å; D305-V307 PolarHBondContact O-N 2.91Å; V307-L310 PolarHBondContact O-N 3.04Å; V307-K311 PolarHBondContact O-N 3.37Å; V307-L312 HydrophobicContact CB-CD1 4.38Å; V307-L312 HydrophobicContact CG1-CD1 4.03Å; V307-L312 HydrophobicContact CG2-CD1 4.21Å
308N59.7Low58.2Low107 Ų10781.4 Ų81.457%0.57241%0.413SS*.Hα-helixtrans-66-42.1177.4-71-25.1000112.2I304 D305 L310 K311I304-N308 WeakPolarHBondContact O-CB 3.47Å; I304-N308 PolarHBondContact O-N 3.05Å; I304-N308 PolarHBondContact O-ND2 2.96Å; D305-N308 PolarHBondContact O-N 3.22Å; N308-L310 PolarHBondContact O-N 3.27Å; N308-K311 PolarHBondContact O-N 3.49Å
309E61.1Low58.1Low119 Ų11985.1 Ų85.156%0.55643%0.43SS*.Hα-helixtrans-62.9-32.4175.7-77.3-171.5171.600112.6D305 K311D305-E309 WeakPolarHBondContact O-CG 3.48Å; D305-E309 PolarHBondContact O-N 3.42Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.16Å
310L56.3Low57.9Low69 Ų6988 Ų8836%0.36145%0.446SS..THydrogen-bonded Turntrans-79.1-5.5-178.9-73.5168.2000113.9K306 V307 N308 L312 M342K306-L310 HydrophobicContact CG-CD1 4.44Å; K306-L310 WeakPolarHBondContact O-CB 3.49Å; K306-L310 VanDerWaalsContact O-CD1 3.32Å; K306-L310 WeakPolarHBondContact O-CD1 3.42Å; K306-L310 WeakPolarHBondContact O-CG 3.21Å; K306-L310 PolarHBondContact O-N 3.44Å; K306-L310 VanDerWaalsContact O-N 3.15Å; V307-L310 PolarHBondContact O-N 3.04Å; N308-L310 PolarHBondContact O-N 3.27Å; L310-L312 HydrophobicContact CB-CD1 4.22Å; L310-L312 HydrophobicContact CB-CG 4.07Å; L310-L312 HydrophobicContact CD1-CD1 4.48Å; L310-L312 PolarHBondContact O-N 3.37Å; L310-L312 VanDerWaalsContact O-N 3.16Å; L310-M342 HydrophobicContact CD1-CG 3.98Å
311K55.7Low58Low148 Ų14886.5 Ų86.564%0.64344%0.435SS*.THydrogen-bonded Turntrans42.451-177.9-64.2-173.5177.4-174.10111.9V307 N308 E309 D313 D314V307-K311 PolarHBondContact O-N 3.37Å; N308-K311 PolarHBondContact O-N 3.49Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.16Å; K311-D313 PolarHBondContact O-N 3.09Å; K311-D314 PolarHBondContact O-N 3.37Å
312L50Low57.9Low68 Ų6884.1 Ų84.136%0.35643%0.425SS..G310 helixtrans-63-4.5-177.3-82.2159.8000114.1V307 L310 D314 M342V307-L312 HydrophobicContact CB-CD1 4.38Å; V307-L312 HydrophobicContact CG1-CD1 4.03Å; V307-L312 HydrophobicContact CG2-CD1 4.21Å; L310-L312 HydrophobicContact CB-CD1 4.22Å; L310-L312 HydrophobicContact CB-CG 4.07Å; L310-L312 HydrophobicContact CD1-CD1 4.48Å; L310-L312 PolarHBondContact O-N 3.37Å; L310-L312 VanDerWaalsContact O-N 3.16Å; L312-D314 VanDerWaalsContact C-N 3.32Å; L312-M342 HydrophobicContact CD1-CE 4.46Å; L312-M342 HydrophobicContact CD2-CE 3.74Å
313D48.1Very low57.7Low145 Ų14588.5 Ų88.578%0.77544%0.441SS*.G310 helixtrans-72.7-16.6173.9-67.4-27.4000113.9K311 N315K311-D313 PolarHBondContact O-N 3.09Å; D313-N315 PolarHBondContact O-N 2.95Å; D313-N315 VanDerWaalsContact O-N 3.15Å
314D47.2Very low57.7Low133 Ų13392.4 Ų92.471%0.71146%0.458SS*.G310 helixtrans-78.16.5-177.9-80-20000114.6K311 L312K311-D314 PolarHBondContact O-N 3.37Å; L312-D314 VanDerWaalsContact C-N 3.32Å
315N53.3Low57.7Low59 Ų5990 Ų9032%0.31645%0.454SS..  trans-10738.1-177.9-83.3-26.3000113.2D313 E317 L318 I319D313-N315 PolarHBondContact O-N 2.95Å; D313-N315 VanDerWaalsContact O-N 3.15Å; N315-E317 PolarHBondContact O-N 2.79Å; N315-L318 HydrophobicContact CB-CB 4.18Å; N315-L318 HydrophobicContact CB-CD1 4.04Å; N315-L318 PolarHBondContact O-N 3.3Å; N315-L318 VanDerWaalsContact O-N 3.16Å; N315-I319 PolarHBondContact O-N 3.44Å; N315-I319 VanDerWaalsContact O-N 3.07Å
316E57Low57.8Low149 Ų14990.9 Ų90.970%0.69646%0.457SS*.Hα-helixtrans-54.2-37172.7-72.2-166.6146.700112.1L318 I319 D320E316-L318 PolarHBondContact O-N 3.34Å; E316-I319 PolarHBondContact O-N 2.99Å; E316-D320 WeakPolarHBondContact O-CB 3.36Å; E316-D320 PolarHBondContact O-N 3.32Å
317E58.4Low58.5Low146 Ų14689.4 Ų89.468%0.68245%0.45SS*.Hα-helixtrans-64.2-40.6177.4-69.2-166.616800113.1N315 D320 K321N315-E317 PolarHBondContact O-N 2.79Å; E317-D320 PolarHBondContact O-N 3.42Å; E317-K321 WeakPolarHBondContact O-CB 3.49Å; E317-K321 VanDerWaalsContact O-CG 3.27Å; E317-K321 WeakPolarHBondContact O-CG 3.46Å; E317-K321 PolarHBondContact O-N 2.96Å
318L54.1Low59.7Low13 Ų1387.2 Ų87.27%0.06844%0.437CS..Hα-helixtrans-67.5-41.4175.8-88.5162.5000110.7N315 E316 D320 K321 L322 D331 Q335N315-L318 HydrophobicContact CB-CB 4.18Å; N315-L318 HydrophobicContact CB-CD1 4.04Å; N315-L318 PolarHBondContact O-N 3.3Å; N315-L318 VanDerWaalsContact O-N 3.16Å; E316-L318 PolarHBondContact O-N 3.34Å; L318-D320 VanDerWaalsContact C-N 3.27Å; L318-D320 PolarHBondContact O-N 3.34Å; L318-K321 PolarHBondContact O-N 2.79Å; L318-L322 WeakPolarHBondContact O-CB 3.28Å; L318-L322 WeakPolarHBondContact O-CD1 3.22Å; L318-L322 WeakPolarHBondContact O-CG 3.29Å; L318-L322 PolarHBondContact O-N 2.87Å; L318-D331 HydrophobicContact CD2-CB 4.49Å; L318-Q335 VanDerWaalsContact CD2-NE2 3.34Å
319I57.2Low60.9Low83 Ų8382.1 Ų82.143%0.42641%0.41SS..Hα-helixtrans-61.6-39.4175.2-68.6174.1000110.2N315 E316 K323N315-I319 PolarHBondContact O-N 3.44Å; N315-I319 VanDerWaalsContact O-N 3.07Å; E316-I319 PolarHBondContact O-N 2.99Å; I319-K323 HydrophobicContact CG2-CD 4.44Å; I319-K323 VanDerWaalsContact CG2-CE 3.5Å; I319-K323 WeakPolarHBondContact O-CB 3.32Å; I319-K323 WeakPolarHBondContact O-CG 2.99Å; I319-K323 PolarHBondContact O-N 3.37Å
320D61.4Low62.2Low77 Ų7779.8 Ų79.841%0.41240%0.396SS..Hα-helixtrans-71.5-41.9176.6-85.2-2.6000113.4E316 E317 L318 L322 K323 H324E316-D320 WeakPolarHBondContact O-CB 3.36Å; E316-D320 PolarHBondContact O-N 3.32Å; E317-D320 PolarHBondContact O-N 3.42Å; L318-D320 VanDerWaalsContact C-N 3.27Å; L318-D320 PolarHBondContact O-N 3.34Å; D320-L322 VanDerWaalsContact C-N 3.35Å; D320-L322 PolarHBondContact O-N 3.03Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.32Å; D320-K323 WeakPolarHBondContact OD1-CD 3.47Å; D320-K323 IonicContact OD1-NZ 3.49Å; D320-K323 PolarHBondContact OD1-NZ 2.87Å; D320-H324 PolarHBondContact O-N 2.84Å; D320-H324 VanDerWaalsContact O-N 3.16Å; D320-H324 PolarHBondContact O-ND1 2.85Å
321K60.3Low63.5Low73 Ų7376.8 Ų76.832%0.31738%0.38SS..Hα-helixtrans-62.8-41.1173.2-72.1172.9-1791770111.9E317 L318 H324 G325 Q326 D331E317-K321 WeakPolarHBondContact O-CB 3.49Å; E317-K321 VanDerWaalsContact O-CG 3.27Å; E317-K321 WeakPolarHBondContact O-CG 3.46Å; E317-K321 PolarHBondContact O-N 2.96Å; L318-K321 PolarHBondContact O-N 2.79Å; K321-H324 PolarHBondContact O-N 3.46Å; K321-G325 PolarHBondContact O-N 3.03Å; K321-Q326 PolarHBondContact O-N 2.84Å; K321-D331 WeakPolarHBondContact CD-OD1 3.2Å; K321-D331 IonicContact NZ-OD1 2.77Å; K321-D331 PolarHBondContact NZ-OD1 3.16Å
322L56.9Low64.8Low56 Ų5670 Ų7029%0.29335%0.35SS..Hα-helixtrans-63.4-39.4173.6-74.5166.2000112.2L318 D320 H324 G325 V431L318-L322 WeakPolarHBondContact O-CB 3.28Å; L318-L322 WeakPolarHBondContact O-CD1 3.22Å; L318-L322 WeakPolarHBondContact O-CG 3.29Å; L318-L322 PolarHBondContact O-N 2.87Å; D320-L322 VanDerWaalsContact C-N 3.35Å; D320-L322 PolarHBondContact O-N 3.03Å; L322-H324 PolarHBondContact O-N 3.43Å; L322-G325 PolarHBondContact O-N 3.21Å; L322-G325 VanDerWaalsContact O-N 3.17Å; L322-V431 HydrophobicContact CD2-CG1 3.36Å; L322-V431 HydrophobicContact CD2-CG2 4.49Å
323K59.3Low66.5Low103 Ų10369.3 Ų69.345%0.44834%0.344SS..Hα-helixtrans-60.3-34.2173.9-77.7168-164.6154.10112.1I319 D320 G325I319-K323 HydrophobicContact CG2-CD 4.44Å; I319-K323 VanDerWaalsContact CG2-CE 3.5Å; I319-K323 WeakPolarHBondContact O-CB 3.32Å; I319-K323 WeakPolarHBondContact O-CG 2.99Å; I319-K323 PolarHBondContact O-N 3.37Å; D320-K323 WeakPolarHBondContact O-CB 3.35Å; D320-K323 PolarHBondContact O-N 3.32Å; D320-K323 WeakPolarHBondContact OD1-CD 3.47Å; D320-K323 IonicContact OD1-NZ 3.49Å; D320-K323 PolarHBondContact OD1-NZ 2.87Å; K323-G325 VanDerWaalsContact C-N 3.3Å
324H61.9Low68.2Low132 Ų13265.1 Ų65.161%0.61132%0.319SS*.THydrogen-bonded Turntrans-86.61.8-179.5-68.269.3000113.3D320 K321 L322 Q326D320-H324 PolarHBondContact O-N 2.84Å; D320-H324 VanDerWaalsContact O-N 3.16Å; D320-H324 PolarHBondContact O-ND1 2.85Å; K321-H324 PolarHBondContact O-N 3.46Å; L322-H324 PolarHBondContact O-N 3.43Å; H324-Q326 PolarHBondContact O-N 3.3Å
325G62.9Low69.7Low36 Ų3661.3 Ų61.337%0.37130%0.297SS..THydrogen-bonded Turntrans63.520.5178.400000113.8K321 L322 K323K321-G325 PolarHBondContact O-N 3.03Å; L322-G325 PolarHBondContact O-N 3.21Å; L322-G325 VanDerWaalsContact O-N 3.17Å; K323-G325 VanDerWaalsContact C-N 3.3Å
326Q68.2Low71Confident83 Ų8359.6 Ų59.639%0.38829%0.287SS..  trans-100.3113.3176.8-63.5-179.441.300107.1K321 H324K321-Q326 PolarHBondContact O-N 2.84Å; H324-Q326 PolarHBondContact O-N 3.3Å
327F78.3Confident72.1Confident16 Ų1656.1 Ų56.17%0.0727%0.271CS..  trans-126.7115.7177.7-173.4-97.8000107.5D331 M332 Y424 F427 A428 V431F327-D331 HydrophobicContact CD2-CB 4.07Å; F327-D331 HydrophobicContact CE2-CB 3.97Å; F327-M332 HydrophobicContact CE1-CB 3.88Å; F327-M332 HydrophobicContact CE1-CG 4.35Å; F327-M332 HydrophobicContact CZ-CB 3.74Å; F327-M332 HydrophobicContact CZ-CG 4.21Å; F327-Y424 HydrophobicContact CD1-CD2 4.41Å; F327-Y424 AromaticContact CD1-CE2 3.87Å; F327-Y424 HydrophobicContact CD1-CE2 3.87Å; F327-Y424 HydrophobicContact CE1-CD2 4.12Å; F327-Y424 AromaticContact CE1-CE2 3.97Å; F327-Y424 HydrophobicContact CE1-CE2 3.97Å; F327-Y424 PolarHBondContact O-OH 2.82Å; F327-F427 HydrophobicContact CD1-CD1 4.3Å; F327-F427 AromaticContact CE1-CD1 3.44Å; F327-F427 HydrophobicContact CE1-CD1 3.44Å; F327-F427 VanDerWaalsContact CE1-CD1 3.44Å; F327-F427 HydrophobicContact CE1-CE1 4.06Å; F327-F427 HydrophobicContact CE1-CG 4.41Å; F327-F427 HydrophobicContact CE2-CD1 4.03Å; F327-F427 AromaticContact CE2-CE1 3.81Å; F327-F427 HydrophobicContact CE2-CE1 3.81Å; F327-F427 AromaticContact CZ-CD1 3.27Å; F327-F427 HydrophobicContact CZ-CD1 3.27Å; F327-F427 AromaticContact CZ-CE1 3.38Å; F327-F427 HydrophobicContact CZ-CE1 3.38Å; F327-F427 HydrophobicContact CZ-CG 4.46Å; F327-A428 HydrophobicContact CD1-CB 3.98Å; F327-V431 HydrophobicContact CB-CB 4.41Å; F327-V431 HydrophobicContact CB-CG1 3.95Å; F327-V431 HydrophobicContact CD2-CB 4.34Å; F327-V431 HydrophobicContact CD2-CG1 3.97Å; F327-V431 HydrophobicContact CD2-CG2 3.99Å; F327-V431 HydrophobicContact CE2-CG2 4.17Å; F327-V431 HydrophobicContact CG-CB 4.28Å; F327-V431 HydrophobicContact CG-CG1 4.11Å; F327-V431 HydrophobicContact CG-CG2 4.25Å
328T86Confident72.8Confident16 Ų1650.8 Ų50.810%0.09825%0.247CC..  trans-106.2170.6-176.466.70000111.3R330 D331 M332 L387T328-R330 PolarHBondContact O-N 3.5Å; T328-R330 PolarHBondContact OG1-N 3.27Å; T328-D331 WeakPolarHBondContact CB-OD2 3.2Å; T328-D331 PolarHBondContact N-OD2 2.92Å; T328-D331 PolarHBondContact O-N 3.36Å; T328-D331 PolarHBondContact OG1-N 3.44Å; T328-D331 PolarHBondContact OG1-OD2 3.46Å; T328-M332 PolarHBondContact O-N 3.21Å; T328-M332 VanDerWaalsContact O-N 3.15Å; T328-L387 WeakPolarHBondContact CB-O 3.23Å
329L85.4Confident73.7Confident0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-66.5-30.3174.2-81.3166.4000111.4M332 Y333 M382 L387 F396 L420 L421 Y424L329-M332 HydrophobicContact CD2-CE 3.87Å; L329-M332 WeakPolarHBondContact O-CB 3.24Å; L329-M332 PolarHBondContact O-N 3.47Å; L329-Y333 PolarHBondContact O-N 2.87Å; L329-M382 HydrophobicContact CD1-SD 3.93Å; L329-L387 HydrophobicContact CB-CD2 3.98Å; L329-L387 PolarHBondContact N-O 2.84Å; L329-L387 VanDerWaalsContact N-O 3.16Å; L329-F396 HydrophobicContact CD1-CE2 4.02Å; L329-L420 HydrophobicContact CD2-CD2 4.16Å; L329-L421 HydrophobicContact CD1-CD2 4.41Å; L329-Y424 HydrophobicContact CB-CE2 4.49Å; L329-Y424 HydrophobicContact CD2-CD1 4.14Å; L329-Y424 HydrophobicContact CD2-CD2 3.45Å; L329-Y424 VanDerWaalsContact CD2-CD2 3.45Å; L329-Y424 HydrophobicContact CD2-CE2 3.93Å; L329-Y424 HydrophobicContact CD2-CG 3.54Å; L329-Y424 HydrophobicContact CG-CD1 4.44Å; L329-Y424 HydrophobicContact CG-CD2 3.94Å; L329-Y424 HydrophobicContact CG-CE1 4.39Å; L329-Y424 HydrophobicContact CG-CE2 3.87Å; L329-Y424 HydrophobicContact CG-CG 4.21Å
330R87.8Confident74.3Confident70 Ų7051 Ų5126%0.26425%0.248SC..Hα-helixtrans-64.3-44.5171.9-171.4173.8-58.1-862.4112.1T328 M332 Y333 E334 D384 L387 D388T328-R330 PolarHBondContact O-N 3.5Å; T328-R330 PolarHBondContact OG1-N 3.27Å; R330-M332 PolarHBondContact O-N 3Å; R330-Y333 WeakPolarHBondContact O-CA 2.97Å; R330-Y333 VanDerWaalsContact O-CB 3.29Å; R330-Y333 WeakPolarHBondContact O-CB 3.33Å; R330-Y333 PolarHBondContact O-N 3.29Å; R330-E334 WeakPolarHBondContact O-CG 3.5Å; R330-E334 PolarHBondContact O-N 3.22Å; R330-D384 IonicContact CZ-OD1 2.78Å; R330-D384 IonicContact NH2-OD1 3.17Å; R330-D384 PolarHBondContact NH2-OD1 3.31Å; R330-L387 HydrophobicContact CB-CB 4.33Å; R330-L387 PolarHBondContact N-O 3.4Å; R330-L387 VanDerWaalsContact N-O 3.13Å; R330-D388 WeakPolarHBondContact CD-OD1 3.42Å; R330-D388 IonicContact CZ-OD1 3.21Å; R330-D388 IonicContact CZ-OD2 2.62Å; R330-D388 IonicContact NE-OD1 2.98Å; R330-D388 PolarHBondContact NE-OD1 2.99Å; R330-D388 IonicContact NE-OD2 3.51Å; R330-D388 PolarHBondContact NE-OD2 3.02Å; R330-D388 IonicContact NH2-OD1 2.67Å; R330-D388 IonicContact NH2-OD2 3.4Å; R330-D388 PolarHBondContact NH2-OD2 3.23Å
331D83.5Confident74.6Confident7 Ų754.2 Ų54.24%0.03726%0.258CS..Hα-helixtrans-61.6-38177.1-54.1-50.6000110.4L318 K321 F327 T328 E334 Q335L318-D331 HydrophobicContact CD2-CB 4.49Å; K321-D331 WeakPolarHBondContact CD-OD1 3.2Å; K321-D331 IonicContact NZ-OD1 2.77Å; K321-D331 PolarHBondContact NZ-OD1 3.16Å; F327-D331 HydrophobicContact CD2-CB 4.07Å; F327-D331 HydrophobicContact CE2-CB 3.97Å; T328-D331 WeakPolarHBondContact CB-OD2 3.2Å; T328-D331 PolarHBondContact N-OD2 2.92Å; T328-D331 PolarHBondContact O-N 3.36Å; T328-D331 PolarHBondContact OG1-N 3.44Å; T328-D331 PolarHBondContact OG1-OD2 3.46Å; D331-E334 PolarHBondContact O-N 3.41Å; D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.45Å; D331-Q335 PolarHBondContact O-N 3.23Å
332M83.6Confident74.6Confident4 Ų453 Ų532%0.0225%0.254CS..Hα-helixtrans-63.6-40.2173-166-178.475.100112.5F327 T328 L329 R330 Q335 F336 M379 L420 Y424F327-M332 HydrophobicContact CE1-CB 3.88Å; F327-M332 HydrophobicContact CE1-CG 4.35Å; F327-M332 HydrophobicContact CZ-CB 3.74Å; F327-M332 HydrophobicContact CZ-CG 4.21Å; T328-M332 PolarHBondContact O-N 3.21Å; T328-M332 VanDerWaalsContact O-N 3.15Å; L329-M332 HydrophobicContact CD2-CE 3.87Å; L329-M332 WeakPolarHBondContact O-CB 3.24Å; L329-M332 PolarHBondContact O-N 3.47Å; R330-M332 PolarHBondContact O-N 3Å; M332-Q335 PolarHBondContact O-N 3.31Å; M332-F336 HydrophobicContact CE-CE2 3.83Å; M332-F336 HydrophobicContact CE-CZ 4.12Å; M332-F336 HydrophobicContact CG-CE1 4.12Å; M332-F336 HydrophobicContact CG-CE2 4.16Å; M332-F336 HydrophobicContact CG-CZ 3.87Å; M332-F336 WeakPolarHBondContact O-CG 3.41Å; M332-F336 PolarHBondContact O-N 3.22Å; M332-F336 HydrophobicContact SD-CE2 4.27Å; M332-F336 HydrophobicContact SD-CZ 3.96Å; M332-M379 HydrophobicContact CE-CE 4.06Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.44Å; M332-L420 HydrophobicContact CE-CD2 4.06Å; M332-L420 HydrophobicContact CE-CG 4.39Å; M332-Y424 HydrophobicContact CB-CD2 4.44Å; M332-Y424 HydrophobicContact CE-CD2 4.47Å; M332-Y424 HydrophobicContact SD-CD2 3.83Å; M332-Y424 HydrophobicContact SD-CG 4.33Å
333Y85.6Confident74.8Confident55 Ų5551.2 Ų51.222%0.21625%0.249CC..Hα-helixtrans-60.4-48.4174.8-173.1-83.1000111.5L329 R330 Q335 F336 Q337 M376 M379 D380L329-Y333 PolarHBondContact O-N 2.87Å; R330-Y333 WeakPolarHBondContact O-CA 2.97Å; R330-Y333 VanDerWaalsContact O-CB 3.29Å; R330-Y333 WeakPolarHBondContact O-CB 3.33Å; R330-Y333 PolarHBondContact O-N 3.29Å; Y333-Q335 VanDerWaalsContact C-N 3.29Å; Y333-Q335 PolarHBondContact O-N 2.98Å; Y333-F336 PolarHBondContact O-N 2.65Å; Y333-F336 VanDerWaalsContact O-N 3.17Å; Y333-Q337 WeakPolarHBondContact O-CB 3.5Å; Y333-Q337 PolarHBondContact O-N 3.21Å; Y333-M376 HydrophobicContact CD1-CE 4.4Å; Y333-M376 HydrophobicContact CD2-CG 4.39Å; Y333-M376 HydrophobicContact CE1-CE 3.74Å; Y333-M376 HydrophobicContact CE2-CB 3.94Å; Y333-M376 HydrophobicContact CE2-CE 3.95Å; Y333-M376 HydrophobicContact CE2-CG 4.16Å; Y333-M376 VanDerWaalsContact CZ-CE 3.5Å; Y333-M379 HydrophobicContact CD2-CB 3.7Å; Y333-M379 HydrophobicContact CD2-CE 3.69Å; Y333-M379 HydrophobicContact CD2-SD 4.12Å; Y333-M379 HydrophobicContact CE2-CB 4.19Å; Y333-M379 HydrophobicContact CG-CE 4.31Å; Y333-D380 WeakPolarHBondContact CE2-OD1 3.45Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.29Å; Y333-D380 PolarHBondContact OH-OD1 3.49Å
334E83.3Confident74.8Confident56 Ų5648.7 Ų48.726%0.26224%0.243SC..Hα-helixtrans-60-40.8176.6-70.4171.4-169.100111.1R330 D331 Q337 N338R330-E334 WeakPolarHBondContact O-CG 3.5Å; R330-E334 PolarHBondContact O-N 3.22Å; D331-E334 PolarHBondContact O-N 3.41Å; E334-Q337 PolarHBondContact O-N 3.06Å; E334-N338 WeakPolarHBondContact O-CB 3.27Å; E334-N338 PolarHBondContact O-N 3.06Å; E334-N338 PolarHBondContact O-ND2 3.4Å
335Q78.4Confident74.5Confident54 Ų5447.5 Ų47.525%0.25224%0.237SC..Hα-helixtrans-63.2-44.3174.3-67.7-39.1-68.500112.2L318 D331 M332 Y333 Q337 N338 I339L318-Q335 VanDerWaalsContact CD2-NE2 3.34Å; D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.45Å; D331-Q335 PolarHBondContact O-N 3.23Å; M332-Q335 PolarHBondContact O-N 3.31Å; Y333-Q335 VanDerWaalsContact C-N 3.29Å; Y333-Q335 PolarHBondContact O-N 2.98Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 2.97Å; Q335-N338 PolarHBondContact O-N 2.98Å; Q335-I339 WeakPolarHBondContact O-CB 3.43Å; Q335-I339 WeakPolarHBondContact O-CD1 3.11Å; Q335-I339 WeakPolarHBondContact O-CG1 3.29Å; Q335-I339 PolarHBondContact O-N 3.39Å
336F81.2Confident74.4Confident23 Ų2346.7 Ų46.710%0.10123%0.228CC..Hα-helixtrans-63.3-38.8175.9-71.4-7.6000111.9M332 Y333 I339 M340 L372 L375 M376 M379M332-F336 HydrophobicContact CE-CE2 3.83Å; M332-F336 HydrophobicContact CE-CZ 4.12Å; M332-F336 HydrophobicContact CG-CE1 4.12Å; M332-F336 HydrophobicContact CG-CE2 4.16Å; M332-F336 HydrophobicContact CG-CZ 3.87Å; M332-F336 WeakPolarHBondContact O-CG 3.41Å; M332-F336 PolarHBondContact O-N 3.22Å; M332-F336 HydrophobicContact SD-CE2 4.27Å; M332-F336 HydrophobicContact SD-CZ 3.96Å; Y333-F336 PolarHBondContact O-N 2.65Å; Y333-F336 VanDerWaalsContact O-N 3.17Å; F336-I339 PolarHBondContact O-N 3.2Å; F336-M340 WeakPolarHBondContact O-CB 3.33Å; F336-M340 WeakPolarHBondContact O-CG 3.4Å; F336-M340 PolarHBondContact O-N 3.18Å; F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.43Å; F336-L372 HydrophobicContact CE1-CD2 4.08Å; F336-L372 HydrophobicContact CG-CD2 4.13Å; F336-L372 HydrophobicContact CZ-CD2 4.42Å; F336-L375 HydrophobicContact CD2-CB 4.26Å; F336-L375 HydrophobicContact CE2-CB 3.9Å; F336-L375 HydrophobicContact CE2-CD1 3.77Å; F336-L375 HydrophobicContact CE2-CG 4.49Å; F336-L375 HydrophobicContact CZ-CD1 4.07Å; F336-M376 HydrophobicContact CB-CG 4.08Å; F336-M376 HydrophobicContact CB-SD 4.16Å; F336-M376 HydrophobicContact CD2-CG 4.42Å; F336-M379 HydrophobicContact CD2-CE 3.44Å; F336-M379 VanDerWaalsContact CD2-CE 3.44Å; F336-M379 HydrophobicContact CE2-CE 3.81Å; F336-M379 HydrophobicContact CG-CE 4.49Å
337Q80.3Confident73.9Confident75 Ų7544.7 Ų44.735%0.3522%0.219SC..Hα-helixtrans-65.4-41.6176.1-166.5179.614.500111.6Y333 E334 Q335 M340 K341 M376Y333-Q337 WeakPolarHBondContact O-CB 3.5Å; Y333-Q337 PolarHBondContact O-N 3.21Å; E334-Q337 PolarHBondContact O-N 3.06Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 2.97Å; Q337-M340 PolarHBondContact O-N 2.86Å; Q337-K341 VanDerWaalsContact O-CG 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.26Å; Q337-K341 PolarHBondContact O-N 3.25Å; Q337-M376 HydrophobicContact CB-CE 3.95Å; Q337-M376 HydrophobicContact CG-CE 4.18Å
338N74.2Confident73Confident34 Ų3445.6 Ų45.618%0.18222%0.224CC..Hα-helixtrans-65.2-42175.7-70.6-20.7000111.3E334 Q335 M340 K341 M342E334-N338 WeakPolarHBondContact O-CB 3.27Å; E334-N338 PolarHBondContact O-N 3.06Å; E334-N338 PolarHBondContact O-ND2 3.4Å; Q335-N338 PolarHBondContact O-N 2.98Å; N338-M340 VanDerWaalsContact C-N 3.34Å; N338-M340 PolarHBondContact O-N 2.87Å; N338-K341 WeakPolarHBondContact O-CB 3.34Å; N338-K341 PolarHBondContact O-N 3.27Å; N338-M342 VanDerWaalsContact O-CG 3.23Å; N338-M342 WeakPolarHBondContact O-CG 3.41Å; N338-M342 PolarHBondContact O-N 2.99Å
339I72.6Confident71.6Confident35 Ų3548.1 Ų48.118%0.17924%0.236CC..Hα-helixtrans-61.1-43.3173.6-71166.3000111Q335 F336 K341 M342 G343 F345 L372Q335-I339 WeakPolarHBondContact O-CB 3.43Å; Q335-I339 WeakPolarHBondContact O-CD1 3.11Å; Q335-I339 WeakPolarHBondContact O-CG1 3.29Å; Q335-I339 PolarHBondContact O-N 3.39Å; F336-I339 PolarHBondContact O-N 3.2Å; I339-K341 VanDerWaalsContact C-N 3.32Å; I339-K341 PolarHBondContact O-N 3.35Å; I339-M342 PolarHBondContact O-N 3.37Å; I339-G343 PolarHBondContact O-N 2.85Å; I339-F345 HydrophobicContact CB-CE2 4.21Å; I339-F345 HydrophobicContact CD1-CE2 3.98Å; I339-F345 HydrophobicContact CG1-CE2 3.79Å; I339-F345 HydrophobicContact CG1-CZ 4.43Å; I339-F345 HydrophobicContact CG2-CD2 3.67Å; I339-F345 HydrophobicContact CG2-CE2 3.44Å; I339-F345 VanDerWaalsContact CG2-CE2 3.44Å; I339-L372 HydrophobicContact CG2-CD1 3.6Å
340M69.5Low70.3Confident67 Ų6750 Ų5033%0.3326%0.255SS..Hα-helixtrans-63.9-37.3176.1-79.5-167.86600112.2F336 Q337 N338 M342 G343 M369 L372 K373 M376F336-M340 WeakPolarHBondContact O-CB 3.33Å; F336-M340 WeakPolarHBondContact O-CG 3.4Å; F336-M340 PolarHBondContact O-N 3.18Å; Q337-M340 PolarHBondContact O-N 2.86Å; N338-M340 VanDerWaalsContact C-N 3.34Å; N338-M340 PolarHBondContact O-N 2.87Å; M340-M342 VanDerWaalsContact C-N 3.34Å; M340-G343 PolarHBondContact O-N 2.7Å; M340-M369 HydrophobicContact CG-SD 4.04Å; M340-L372 HydrophobicContact CG-CB 4.37Å; M340-K373 HydrophobicContact CE-CB 4.23Å; M340-K373 HydrophobicContact CE-CG 4.48Å; M340-K373 HydrophobicContact SD-CB 4.29Å; M340-M376 HydrophobicContact CG-SD 4.38Å; M340-M376 HydrophobicContact SD-SD 3.38Å
341K67.6Low68.8Low143 Ų14347.3 Ų47.362%0.62225%0.245SC*.Hα-helixtrans-67.7-32.4174.5-73.9172.9-179.4173.90112.6Q337 N338 I339 G343Q337-K341 VanDerWaalsContact O-CG 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.26Å; Q337-K341 PolarHBondContact O-N 3.25Å; N338-K341 WeakPolarHBondContact O-CB 3.34Å; N338-K341 PolarHBondContact O-N 3.27Å; I339-K341 VanDerWaalsContact C-N 3.32Å; I339-K341 PolarHBondContact O-N 3.35Å; K341-G343 PolarHBondContact O-N 3.44Å
342M59.2Low67.3Low47 Ų4749.9 Ų49.923%0.23226%0.259CS..Hα-helixtrans-71.5-13.7178.6-74.3175.2-171.900113.5L310 L312 N338 I339 M340 I348L310-M342 HydrophobicContact CD1-CG 3.98Å; L312-M342 HydrophobicContact CD1-CE 4.46Å; L312-M342 HydrophobicContact CD2-CE 3.74Å; N338-M342 VanDerWaalsContact O-CG 3.23Å; N338-M342 WeakPolarHBondContact O-CG 3.41Å; N338-M342 PolarHBondContact O-N 2.99Å; I339-M342 PolarHBondContact O-N 3.37Å; M340-M342 VanDerWaalsContact C-N 3.34Å; M342-I348 HydrophobicContact CB-CD1 4.07Å
343G61.1Low65.5Low19 Ų1952.5 Ų52.520%0.19628%0.276CS..  trans79.3-171.3-177.800000113I339 M340 K341 F345 M369I339-G343 PolarHBondContact O-N 2.85Å; M340-G343 PolarHBondContact O-N 2.7Å; K341-G343 PolarHBondContact O-N 3.44Å; G343-F345 PolarHBondContact O-N 3.24Å; G343-M369 WeakPolarHBondContact O-CE 3.4Å
344P60.6Low63.9Low50 Ų5053.7 Ų53.733%0.32531%0.305SS..  trans-57.5122.9-173.8-25.735.2000112.8G346 Q347 E365P344-G346 PolarHBondContact O-N 3.43Å; P344-Q347 WeakPolarHBondContact O-CB 3.36Å; P344-Q347 PolarHBondContact O-N 3.05Å; P344-E365 HydrophobicContact CB-CB 4.22Å
345F56.2Low62.5Low108 Ų10857 Ų5747%0.47432%0.319SS..Hα-helixtrans-54.3-27.1179.8-117.5-83.4000113.7I339 G343 Q347 I348 M349I339-F345 HydrophobicContact CB-CE2 4.21Å; I339-F345 HydrophobicContact CD1-CE2 3.98Å; I339-F345 HydrophobicContact CG1-CE2 3.79Å; I339-F345 HydrophobicContact CG1-CZ 4.43Å; I339-F345 HydrophobicContact CG2-CD2 3.67Å; I339-F345 HydrophobicContact CG2-CE2 3.44Å; I339-F345 VanDerWaalsContact CG2-CE2 3.44Å; G343-F345 PolarHBondContact O-N 3.24Å; F345-Q347 PolarHBondContact O-N 3.27Å; F345-I348 PolarHBondContact O-N 3.29Å; F345-M349 HydrophobicContact CD1-CG 4.33Å; F345-M349 WeakPolarHBondContact O-CB 3.11Å; F345-M349 WeakPolarHBondContact O-CG 3.37Å; F345-M349 PolarHBondContact O-N 3.49Å
346G59.4Low60.9Low19 Ų1956.5 Ų56.520%0.19633%0.328CS..Hα-helixtrans-59.1-34.4176.100000112.9P344 G350P344-G346 PolarHBondContact O-N 3.43Å; G346-G350 PolarHBondContact O-N 3.27Å
347Q58.8Low59.3Low41 Ų4158.8 Ų58.819%0.19234%0.344CS..Hα-helixtrans-69.9-41.7180-160.1-174.316.600111.9E283 P344 F345 M351E283-Q347 VanDerWaalsContact CD-NE2 3.34Å; E283-Q347 PolarHBondContact OE1-NE2 3.29Å; E283-Q347 PolarHBondContact OE2-NE2 2.69Å; P344-Q347 WeakPolarHBondContact O-CB 3.36Å; P344-Q347 PolarHBondContact O-N 3.05Å; F345-Q347 PolarHBondContact O-N 3.27Å; Q347-M351 WeakPolarHBondContact O-CG 3.5Å; Q347-M351 PolarHBondContact O-N 2.98Å
348I58.2Low57.6Low35 Ų3562 Ų6218%0.17936%0.364CS..Hα-helixtrans-71-44.3178.3-62.7175.5000110.6L303 M342 F345 G350 M351L303-I348 HydrophobicContact CD1-CG2 4.09Å; M342-I348 HydrophobicContact CB-CD1 4.07Å; F345-I348 PolarHBondContact O-N 3.29Å; I348-G350 VanDerWaalsContact C-N 3.26Å; I348-G350 PolarHBondContact O-N 3.04Å; I348-M351 WeakPolarHBondContact O-CB 3.45Å; I348-M351 PolarHBondContact O-N 3.26Å
349M57.4Low56Low69 Ų6968.5 Ų68.534%0.3439%0.391SS..Hα-helixtrans-62.2-35.7176.9-74.3-67.6-144.300112F345 M351 I352 F355F345-M349 HydrophobicContact CD1-CG 4.33Å; F345-M349 WeakPolarHBondContact O-CB 3.11Å; F345-M349 WeakPolarHBondContact O-CG 3.37Å; F345-M349 PolarHBondContact O-N 3.49Å; M349-M351 PolarHBondContact O-N 2.87Å; M349-I352 PolarHBondContact O-N 3.4Å; M349-I352 HydrophobicContact SD-CD1 4.27Å; M349-F355 HydrophobicContact SD-CD1 4.45Å
350G58.4Low54.8Low40 Ų4072.1 Ų72.141%0.41241%0.408SS..THydrogen-bonded Turntrans-66.3-16.117400000114.7G346 I348G346-G350 PolarHBondContact O-N 3.27Å; I348-G350 VanDerWaalsContact C-N 3.26Å; I348-G350 PolarHBondContact O-N 3.04Å
351M55.6Low53.5Low12 Ų1274 Ų746%0.05943%0.428CS..THydrogen-bonded Turntrans-87.2-16.9175.1-67173137.200112.6D299 L303 Q347 I348 M349 P353D299-M351 CarbonylContact C-O 3.6Å; D299-M351 HydrophobicContact CB-CB 4.34Å; D299-M351 HydrophobicContact CB-CG 4.2Å; D299-M351 PolarHBondContact N-O 2.92Å; L303-M351 HydrophobicContact CB-CB 4.23Å; L303-M351 HydrophobicContact CD1-CB 4.47Å; Q347-M351 WeakPolarHBondContact O-CG 3.5Å; Q347-M351 PolarHBondContact O-N 2.98Å; I348-M351 WeakPolarHBondContact O-CB 3.45Å; I348-M351 PolarHBondContact O-N 3.26Å; M349-M351 PolarHBondContact O-N 2.87Å; M351-P353 WeakPolarHBondContact O-CD 3.31Å
352I53.2Low52.4Low62 Ų6277.5 Ų77.532%0.31844%0.443SS..SBendtrans-85.3119.8-176.8-60.5174.7000110.7L303 M349 F355L303-I352 HydrophobicContact CD2-CG1 4.4Å; M349-I352 PolarHBondContact O-N 3.4Å; M349-I352 HydrophobicContact SD-CD1 4.27Å; I352-F355 HydrophobicContact CB-CB 4.36Å; I352-F355 HydrophobicContact CG2-CB 4.15Å; I352-F355 HydrophobicContact CG2-CD2 4.13Å; I352-F355 HydrophobicContact CG2-CG 4.42Å
353P44.9Very low51.9Low59 Ų5977.2 Ų77.238%0.38345%0.452SS..THydrogen-bonded Turntrans-60137177-20.731000112.5M297 I300 M351 F355M297-P353 WeakPolarHBondContact O-CB 3.38Å; I300-P353 HydrophobicContact CD1-CG 3.86Å; I300-P353 HydrophobicContact CG1-CG 3.63Å; M351-P353 WeakPolarHBondContact O-CD 3.31Å; P353-F355 VanDerWaalsContact C-N 3.26Å; P353-F355 PolarHBondContact O-N 2.97Å
354G52.9Low51.7Low80 Ų8081.9 Ų81.983%0.82547%0.473SS*.THydrogen-bonded Turntrans80.7-8.1172.400000116G356G354-G356 PolarHBondContact O-N 3.47Å
355F53.2Low51.8Low124 Ų12484 Ų8454%0.54448%0.478SS..  trans-8722.9176.3-111.9-94.8000113.7M349 I352 P353M349-F355 HydrophobicContact SD-CD1 4.45Å; I352-F355 HydrophobicContact CB-CB 4.36Å; I352-F355 HydrophobicContact CG2-CB 4.15Å; I352-F355 HydrophobicContact CG2-CD2 4.13Å; I352-F355 HydrophobicContact CG2-CG 4.42Å; P353-F355 VanDerWaalsContact C-N 3.26Å; P353-F355 PolarHBondContact O-N 2.97Å
356G45.2Very low52.1Low44 Ų4486.9 Ų86.945%0.45449%0.493SS..  trans-50.9146.1-16400000115.9G354 D358G354-G356 PolarHBondContact O-N 3.47Å; G356-D358 PolarHBondContact O-N 3.26Å
357T47.8Very low52.7Low71 Ų7189.9 Ų89.944%0.43650%0.502SS..G310 helixtrans19.6-31.4157.848.80000122.1R8 M360R8-T357 HydrophobicContact CG-CG2 4.44Å; T357-M360 WeakPolarHBondContact O-CB 3.46Å; T357-M360 PolarHBondContact O-N 3.35Å
358D43.9Very low53.4Low142 Ų14291 Ų9176%0.75951%0.514SS*.G310 helixtrans-78.6-22.5-174.5-62.9-24000112.6G356 M360G356-D358 PolarHBondContact O-N 3.26Å; D358-M360 VanDerWaalsContact C-N 3.34Å
359F41.3Very low54.1Low171 Ų17191.1 Ų91.175%0.7552%0.515SS*.G310 helixtrans-86.5-4.9171.8-152.7-97.6000113.4S361F359-S361 PolarHBondContact O-N 3.29Å
360M46.7Very low55.3Low112 Ų11290.7 Ų90.755%0.55252%0.522SS*.  trans-74.674.8169.8-62.3-111.8-69.500108.4T357 D358 K362T357-M360 WeakPolarHBondContact O-CB 3.46Å; T357-M360 PolarHBondContact O-N 3.35Å; D358-M360 VanDerWaalsContact C-N 3.34Å; M360-K362 PolarHBondContact O-N 2.85Å
361S42.2Very low56.5Low106 Ų10696.3 Ų96.374%0.74153%0.531SS*.  trans-49139.9161.458.60000108.3F359 G363F359-S361 PolarHBondContact O-N 3.29Å; S361-G363 PolarHBondContact O-N 3.5Å
362K44.1Very low57.8Low217 Ų21797.2 Ų97.294%0.94354%0.536SS*.SBendtrans-61.143.3-174.1-58.9176.6176.9178.50114.3M360M360-K362 PolarHBondContact O-N 2.85Å
363G48.3Very low59.5Low41 Ų41100.5 Ų100.542%0.42355%0.548SS..  trans-87.5123176.900000109.4S361 E365S361-G363 PolarHBondContact O-N 3.5Å; G363-E365 PolarHBondContact O-N 3.07Å
364N57.2Low61.6Low117 Ų117102 Ų10263%0.62655%0.549SS*.  trans-56.8124.1169-76.5-18.4000108.7Q366 E367 S368N364-Q366 PolarHBondContact O-N 3.48Å; N364-E367 HydrophobicContact CB-CB 3.92Å; N364-E367 WeakPolarHBondContact O-CA 3.38Å; N364-E367 VanDerWaalsContact O-CB 3.24Å; N364-E367 WeakPolarHBondContact O-CB 2.91Å; N364-E367 PolarHBondContact O-N 3.23Å; N364-S368 PolarHBondContact O-N 2.75Å
365E61.8Low63.3Low94 Ų9499.5 Ų99.544%0.43952%0.516SS..Hα-helixtrans-58-36.3-177.8-67.1-179.8169.200112.3P344 G363 E367 S368 M369P344-E365 HydrophobicContact CB-CB 4.22Å; G363-E365 PolarHBondContact O-N 3.07Å; E365-E367 VanDerWaalsContact C-N 3.31Å; E365-E367 PolarHBondContact O-N 3.16Å; E365-S368 PolarHBondContact O-N 3.33Å; E365-M369 PolarHBondContact O-N 2.83Å
366Q63.7Low65Low169 Ų16994.4 Ų94.479%0.7949%0.494SS*.Hα-helixtrans-62.3-35171-90-178.5-24.900113N364 M369 A370N364-Q366 PolarHBondContact O-N 3.48Å; Q366-M369 PolarHBondContact O-N 3.01Å; Q366-A370 WeakPolarHBondContact O-CB 3.2Å; Q366-A370 PolarHBondContact O-N 3.16Å
367E71.3Confident67.3Low82 Ų8294.9 Ų94.938%0.38349%0.488SS..Hα-helixtrans-70.6-36.7179.4-164.4-169.6156.900111N364 E365 A370 R371N364-E367 HydrophobicContact CB-CB 3.92Å; N364-E367 WeakPolarHBondContact O-CA 3.38Å; N364-E367 VanDerWaalsContact O-CB 3.24Å; N364-E367 WeakPolarHBondContact O-CB 2.91Å; N364-E367 PolarHBondContact O-N 3.23Å; E365-E367 VanDerWaalsContact C-N 3.31Å; E365-E367 PolarHBondContact O-N 3.16Å; E367-A370 PolarHBondContact O-N 3.11Å; E367-R371 WeakPolarHBondContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CG 3.32Å; E367-R371 PolarHBondContact O-N 2.86Å; E367-R371 IonicContact OE1-CZ 2.69Å; E367-R371 IonicContact OE1-NE 3.2Å; E367-R371 PolarHBondContact OE1-NE 3.19Å; E367-R371 IonicContact OE1-NH2 3.36Å; E367-R371 PolarHBondContact OE1-NH2 3.17Å
368S73.3Confident69.5Low64 Ų6491.6 Ų91.645%0.44847%0.468SS..Hα-helixtrans-63.2-42.7173.1-66.40000111.8N364 E365 R371 L372N364-S368 PolarHBondContact O-N 2.75Å; E365-S368 PolarHBondContact O-N 3.33Å; S368-R371 PolarHBondContact O-N 3.43Å; S368-L372 WeakPolarHBondContact O-CG 3.23Å; S368-L372 PolarHBondContact O-N 2.95Å
369M74.4Confident71.8Confident37 Ų3784.9 Ų84.918%0.18243%0.432CS..Hα-helixtrans-66.7-41.3175.1-74.4-62.8173.600112.8M340 G343 E365 Q366 R371 L372 K373M340-M369 HydrophobicContact CG-SD 4.04Å; G343-M369 WeakPolarHBondContact O-CE 3.4Å; E365-M369 PolarHBondContact O-N 2.83Å; Q366-M369 PolarHBondContact O-N 3.01Å; M369-R371 VanDerWaalsContact C-N 3.3Å; M369-R371 PolarHBondContact O-N 2.87Å; M369-L372 PolarHBondContact O-N 3.39Å; M369-L372 HydrophobicContact SD-CD1 4.27Å; M369-K373 WeakPolarHBondContact O-CB 3.49Å; M369-K373 PolarHBondContact O-N 2.96Å
370A81.9Confident74.2Confident60 Ų6081.3 Ų81.350%0.49642%0.421SS..Hα-helixtrans-62.2-38.7175.200000111.7Q366 E367 K373 K374Q366-A370 WeakPolarHBondContact O-CB 3.2Å; Q366-A370 PolarHBondContact O-N 3.16Å; E367-A370 PolarHBondContact O-N 3.11Å; A370-K373 PolarHBondContact O-N 3.13Å; A370-K374 WeakPolarHBondContact O-CB 3.3Å; A370-K374 PolarHBondContact O-N 3.04Å
371R83Confident76.5Confident158 Ų15877.3 Ų77.360%0.59640%0.404SS*.Hα-helixtrans-64.1-46173.9-74.7171.4-176.4-1435.2111.8E367 S368 M369 K373 K374 L375E367-R371 WeakPolarHBondContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CG 3.32Å; E367-R371 PolarHBondContact O-N 2.86Å; E367-R371 IonicContact OE1-CZ 2.69Å; E367-R371 IonicContact OE1-NE 3.2Å; E367-R371 PolarHBondContact OE1-NE 3.19Å; E367-R371 IonicContact OE1-NH2 3.36Å; E367-R371 PolarHBondContact OE1-NH2 3.17Å; S368-R371 PolarHBondContact O-N 3.43Å; M369-R371 VanDerWaalsContact C-N 3.3Å; M369-R371 PolarHBondContact O-N 2.87Å; R371-K373 PolarHBondContact O-N 3.18Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.41Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.36Å
372L84Confident79Confident32 Ų3273 Ų7317%0.16837%0.372CS..Hα-helixtrans-60.7-45.2175.9-71.5176.4000111.6F336 I339 M340 S368 M369 K374 L375 M376F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.43Å; F336-L372 HydrophobicContact CE1-CD2 4.08Å; F336-L372 HydrophobicContact CG-CD2 4.13Å; F336-L372 HydrophobicContact CZ-CD2 4.42Å; I339-L372 HydrophobicContact CG2-CD1 3.6Å; M340-L372 HydrophobicContact CG-CB 4.37Å; S368-L372 WeakPolarHBondContact O-CG 3.23Å; S368-L372 PolarHBondContact O-N 2.95Å; M369-L372 PolarHBondContact O-N 3.39Å; M369-L372 HydrophobicContact SD-CD1 4.27Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 3.32Å; L372-L375 PolarHBondContact O-N 3.36Å; L372-L375 VanDerWaalsContact O-N 3.15Å; L372-M376 WeakPolarHBondContact O-CG 3.45Å; L372-M376 PolarHBondContact O-N 3.43Å
373K87.3Confident81.3Confident130 Ų13065.3 Ų65.357%0.56534%0.341SS*.Hα-helixtrans-60.1-41.6175.4-169.7176.9-177.7179.40111.8M340 M369 A370 R371 L375 M376 T377M340-K373 HydrophobicContact CE-CB 4.23Å; M340-K373 HydrophobicContact CE-CG 4.48Å; M340-K373 HydrophobicContact SD-CB 4.29Å; M369-K373 WeakPolarHBondContact O-CB 3.49Å; M369-K373 PolarHBondContact O-N 2.96Å; A370-K373 PolarHBondContact O-N 3.13Å; R371-K373 PolarHBondContact O-N 3.18Å; K373-L375 PolarHBondContact O-N 3.3Å; K373-M376 PolarHBondContact O-N 2.97Å; K373-T377 WeakPolarHBondContact O-CG2 3.46Å; K373-T377 PolarHBondContact O-N 3.48Å; K373-T377 PolarHBondContact O-OG1 2.82Å
374K89.6Confident83.3Confident92 Ų9268.4 Ų68.440%0.435%0.348SS..Hα-helixtrans-58.9-46.6174-174.3-178.5176.8-173.40111A370 R371 L372 M376 T377 I378 D416A370-K374 WeakPolarHBondContact O-CB 3.3Å; A370-K374 PolarHBondContact O-N 3.04Å; R371-K374 WeakPolarHBondContact O-CB 3.39Å; R371-K374 PolarHBondContact O-N 3.41Å; L372-K374 VanDerWaalsContact C-N 3.32Å; L372-K374 PolarHBondContact O-N 3.32Å; K374-M376 VanDerWaalsContact C-N 3.31Å; K374-M376 PolarHBondContact O-N 2.95Å; K374-T377 WeakPolarHBondContact CA-OG1 3.41Å; K374-T377 PolarHBondContact O-N 3.5Å; K374-T377 PolarHBondContact O-OG1 2.79Å; K374-I378 WeakPolarHBondContact O-CG1 3.47Å; K374-I378 PolarHBondContact O-N 2.94Å; K374-I378 VanDerWaalsContact O-N 3.13Å; K374-D416 WeakPolarHBondContact CE-OD2 3.36Å; K374-D416 IonicContact NZ-OD1 2.69Å; K374-D416 IonicContact NZ-OD2 3.66Å; K374-D416 PolarHBondContact NZ-OD2 2.82Å
375L89.6Confident84.9Confident26 Ų2669.5 Ų69.514%0.13635%0.35CS..Hα-helixtrans-61.6-38.8176.6-65.1173.2000112F336 R371 L372 K373 I378 M379 L420F336-L375 HydrophobicContact CD2-CB 4.26Å; F336-L375 HydrophobicContact CE2-CB 3.9Å; F336-L375 HydrophobicContact CE2-CD1 3.77Å; F336-L375 HydrophobicContact CE2-CG 4.49Å; F336-L375 HydrophobicContact CZ-CD1 4.07Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.36Å; L372-L375 PolarHBondContact O-N 3.36Å; L372-L375 VanDerWaalsContact O-N 3.15Å; K373-L375 PolarHBondContact O-N 3.3Å; L375-I378 WeakPolarHBondContact O-CB 3.49Å; L375-I378 PolarHBondContact O-N 2.85Å; L375-M379 PolarHBondContact O-N 3.32Å; L375-M379 VanDerWaalsContact O-N 3.11Å; L375-L420 HydrophobicContact CB-CD1 4.06Å; L375-L420 HydrophobicContact CD2-CB 3.91Å; L375-L420 HydrophobicContact CD2-CD1 3.68Å; L375-L420 HydrophobicContact CD2-CG 3.94Å; L375-L420 HydrophobicContact CG-CD1 4.47Å
376M89.4Confident86.2Confident18 Ų1865 Ų659%0.08933%0.329CS..Hα-helixtrans-62.7-45174.6-69.6178.569.700112Y333 F336 Q337 M340 L372 K373 K374 I378 M379 D380Y333-M376 HydrophobicContact CD1-CE 4.4Å; Y333-M376 HydrophobicContact CD2-CG 4.39Å; Y333-M376 HydrophobicContact CE1-CE 3.74Å; Y333-M376 HydrophobicContact CE2-CB 3.94Å; Y333-M376 HydrophobicContact CE2-CE 3.95Å; Y333-M376 HydrophobicContact CE2-CG 4.16Å; Y333-M376 VanDerWaalsContact CZ-CE 3.5Å; F336-M376 HydrophobicContact CB-CG 4.08Å; F336-M376 HydrophobicContact CB-SD 4.16Å; F336-M376 HydrophobicContact CD2-CG 4.42Å; Q337-M376 HydrophobicContact CB-CE 3.95Å; Q337-M376 HydrophobicContact CG-CE 4.18Å; M340-M376 HydrophobicContact CG-SD 4.38Å; M340-M376 HydrophobicContact SD-SD 3.38Å; L372-M376 WeakPolarHBondContact O-CG 3.45Å; L372-M376 PolarHBondContact O-N 3.43Å; K373-M376 PolarHBondContact O-N 2.97Å; K374-M376 VanDerWaalsContact C-N 3.31Å; K374-M376 PolarHBondContact O-N 2.95Å; M376-I378 PolarHBondContact O-N 2.86Å; M376-M379 HydrophobicContact CG-CE 4.24Å; M376-M379 CarbonylContact O-C 3.56Å; M376-M379 WeakPolarHBondContact O-CA 3.49Å; M376-M379 WeakPolarHBondContact O-CB 3.44Å; M376-M379 PolarHBondContact O-N 2.82Å; M376-D380 VanDerWaalsContact O-CG 3.25Å; M376-D380 PolarHBondContact O-N 3.24Å
377T92.9Very high87.3Confident54 Ų5457.7 Ų57.733%0.33130%0.295SS..Hα-helixtrans-62.6-29176.956.80000113.5K373 K374 S381K373-T377 WeakPolarHBondContact O-CG2 3.46Å; K373-T377 PolarHBondContact O-N 3.48Å; K373-T377 PolarHBondContact O-OG1 2.82Å; K374-T377 WeakPolarHBondContact CA-OG1 3.41Å; K374-T377 PolarHBondContact O-N 3.5Å; K374-T377 PolarHBondContact O-OG1 2.79Å; T377-S381 PolarHBondContact O-OG 2.81Å
378I93.7Very high88.1Confident1 Ų157.5 Ų57.51%0.00530%0.296CS..Hα-helixtrans-68.5-43.3172.2-64.7170.8000110.1K374 L375 M376 S381 M382 V406 V412 D416 V417 L420K374-I378 WeakPolarHBondContact O-CG1 3.47Å; K374-I378 PolarHBondContact O-N 2.94Å; K374-I378 VanDerWaalsContact O-N 3.13Å; L375-I378 WeakPolarHBondContact O-CB 3.49Å; L375-I378 PolarHBondContact O-N 2.85Å; M376-I378 PolarHBondContact O-N 2.86Å; I378-S381 WeakPolarHBondContact O-CB 3.25Å; I378-S381 PolarHBondContact O-N 3Å; I378-M382 HydrophobicContact CG2-CE 4.3Å; I378-V406 HydrophobicContact CG2-CG1 3.59Å; I378-V406 WeakPolarHBondContact O-CG1 3.47Å; I378-V412 HydrophobicContact CD1-CG1 4.24Å; I378-V412 HydrophobicContact CD1-CG2 4.05Å; I378-V412 HydrophobicContact CG1-CG1 4.07Å; I378-V412 HydrophobicContact CG1-CG2 3.96Å; I378-D416 HydrophobicContact CD1-CB 4.35Å; I378-V417 HydrophobicContact CG2-CG1 4.38Å; I378-V417 HydrophobicContact CG2-CG2 4.08Å; I378-L420 HydrophobicContact CB-CD1 3.85Å; I378-L420 HydrophobicContact CD1-CD1 4.32Å; I378-L420 HydrophobicContact CG2-CD1 3.74Å
379M91.1Very high88.6Confident1 Ų157.2 Ų57.21%0.00529%0.29CS..Hα-helixtrans-68.8-32.4176.5-69.6-173.6-73.700112.7M332 Y333 F336 L375 M376 S381 M382 L387 L420M332-M379 HydrophobicContact CE-CE 4.06Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.44Å; Y333-M379 HydrophobicContact CD2-CB 3.7Å; Y333-M379 HydrophobicContact CD2-CE 3.69Å; Y333-M379 HydrophobicContact CD2-SD 4.12Å; Y333-M379 HydrophobicContact CE2-CB 4.19Å; Y333-M379 HydrophobicContact CG-CE 4.31Å; F336-M379 HydrophobicContact CD2-CE 3.44Å; F336-M379 VanDerWaalsContact CD2-CE 3.44Å; F336-M379 HydrophobicContact CE2-CE 3.81Å; F336-M379 HydrophobicContact CG-CE 4.49Å; L375-M379 PolarHBondContact O-N 3.32Å; L375-M379 VanDerWaalsContact O-N 3.11Å; M376-M379 HydrophobicContact CG-CE 4.24Å; M376-M379 CarbonylContact O-C 3.56Å; M376-M379 WeakPolarHBondContact O-CA 3.49Å; M376-M379 WeakPolarHBondContact O-CB 3.44Å; M376-M379 PolarHBondContact O-N 2.82Å; M379-S381 PolarHBondContact O-N 3.5Å; M379-S381 VanDerWaalsContact O-N 3.17Å; M379-M382 HydrophobicContact CG-CE 4.5Å; M379-M382 HydrophobicContact CG-SD 4.4Å; M379-M382 VanDerWaalsContact O-CB 3.27Å; M379-M382 WeakPolarHBondContact O-CB 3.43Å; M379-M382 PolarHBondContact O-N 3.45Å; M379-L387 HydrophobicContact CB-CD2 4.3Å; M379-L420 HydrophobicContact CG-CD1 4.03Å
380D93.4Very high88.7Confident97 Ų9762 Ų6252%0.51931%0.309SS..Hα-helixtrans-61.7-21.5173-64.2-29000112.1Y333 M376Y333-D380 WeakPolarHBondContact CE2-OD1 3.45Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.29Å; Y333-D380 PolarHBondContact OH-OD1 3.49Å; M376-D380 VanDerWaalsContact O-CG 3.25Å; M376-D380 PolarHBondContact O-N 3.24Å
381S94.4Very high88.4Confident28 Ų2863.1 Ų63.120%0.19631%0.307CS..THydrogen-bonded Turntrans-87.8-1174.6-62.30000114T377 I378 M379 R405 G409 S410T377-S381 PolarHBondContact O-OG 2.81Å; I378-S381 WeakPolarHBondContact O-CB 3.25Å; I378-S381 PolarHBondContact O-N 3Å; M379-S381 PolarHBondContact O-N 3.5Å; M379-S381 VanDerWaalsContact O-N 3.17Å; S381-R405 PolarHBondContact O-NH2 3.28Å; S381-G409 VanDerWaalsContact OG-C 3.27Å; S381-S410 PolarHBondContact OG-N 2.88Å
382M93.9Very high88.2Confident15 Ų1555.6 Ų55.67%0.07428%0.279CS..SBendtrans-89.5156.5174-59-176.3-17900110.4L329 I378 M379 E386 L387 F396 V406 L420L329-M382 HydrophobicContact CD1-SD 3.93Å; I378-M382 HydrophobicContact CG2-CE 4.3Å; M379-M382 HydrophobicContact CG-CE 4.5Å; M379-M382 HydrophobicContact CG-SD 4.4Å; M379-M382 VanDerWaalsContact O-CB 3.27Å; M379-M382 WeakPolarHBondContact O-CB 3.43Å; M379-M382 PolarHBondContact O-N 3.45Å; M382-E386 VanDerWaalsContact CA-OE2 3.24Å; M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.15Å; M382-E386 WeakPolarHBondContact CB-OE2 3.43Å; M382-L387 HydrophobicContact CB-CD2 3.93Å; M382-L387 HydrophobicContact CB-CG 3.93Å; M382-L387 HydrophobicContact SD-CD2 4.01Å; M382-F396 HydrophobicContact CE-CE1 4.46Å; M382-F396 HydrophobicContact CE-CE2 4.18Å; M382-F396 HydrophobicContact CE-CZ 3.82Å; M382-F396 HydrophobicContact CG-CZ 3.96Å; M382-F396 HydrophobicContact SD-CE2 4.03Å; M382-F396 HydrophobicContact SD-CZ 3.67Å; M382-V406 HydrophobicContact CE-CG1 4.4Å; M382-V406 HydrophobicContact CG-CG1 4.49Å; M382-V406 HydrophobicContact CG-CG2 3.95Å; M382-L420 HydrophobicContact CE-CD2 4.16Å
383N92.9Very high88.1Confident55 Ų5554.6 Ų54.629%0.29428%0.275SS..  trans-96.3166.8174.167.313.9000111.7Q385 E386 L387N383-Q385 PolarHBondContact O-N 2.84Å; N383-Q385 PolarHBondContact OD1-N 3.37Å; N383-E386 PolarHBondContact N-OE2 3.42Å; N383-E386 WeakPolarHBondContact O-CA 3.48Å; N383-E386 WeakPolarHBondContact O-CB 3.38Å; N383-E386 PolarHBondContact O-N 2.87Å; N383-E386 VanDerWaalsContact OD1-CB 3.3Å; N383-E386 WeakPolarHBondContact OD1-CB 3.29Å; N383-E386 WeakPolarHBondContact OD1-CG 3.49Å; N383-E386 PolarHBondContact OD1-N 3.3Å; N383-E386 PolarHBondContact OD1-OE2 2.9Å; N383-L387 PolarHBondContact O-N 2.93Å
384D91.5Very high87.9Confident106 Ų10653.8 Ų53.857%0.56727%0.272SS*.Hα-helixtrans-57.5-36.6-178.3-61.5-42000112.4R330 E386 L387 D388R330-D384 IonicContact CZ-OD1 2.78Å; R330-D384 IonicContact NH2-OD1 3.17Å; R330-D384 PolarHBondContact NH2-OD1 3.31Å; D384-E386 VanDerWaalsContact C-N 3.27Å; D384-E386 PolarHBondContact O-N 3.45Å; D384-L387 PolarHBondContact O-N 3.33Å; D384-D388 VanDerWaalsContact O-CB 3.27Å; D384-D388 WeakPolarHBondContact O-CB 3.44Å; D384-D388 PolarHBondContact O-N 3.03Å
385Q89.1Confident87.7Confident141 Ų14151.2 Ų51.266%0.65926%0.262SS*.Hα-helixtrans-63.2-31.6175.7-69.3-175.3-900113.6N383 N389 L395N383-Q385 PolarHBondContact O-N 2.84Å; N383-Q385 PolarHBondContact OD1-N 3.37Å; Q385-N389 WeakPolarHBondContact O-CB 3.33Å; Q385-L395 WeakPolarHBondContact O-CD1 3.5Å
386E89.2Confident87.6Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-79.9-38.8176.3-73155.1-172.100111M382 N383 D384 F396 R402 R405M382-E386 VanDerWaalsContact CA-OE2 3.24Å; M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.15Å; M382-E386 WeakPolarHBondContact CB-OE2 3.43Å; N383-E386 PolarHBondContact N-OE2 3.42Å; N383-E386 WeakPolarHBondContact O-CA 3.48Å; N383-E386 WeakPolarHBondContact O-CB 3.38Å; N383-E386 PolarHBondContact O-N 2.87Å; N383-E386 VanDerWaalsContact OD1-CB 3.3Å; N383-E386 WeakPolarHBondContact OD1-CB 3.29Å; N383-E386 WeakPolarHBondContact OD1-CG 3.49Å; N383-E386 PolarHBondContact OD1-N 3.3Å; N383-E386 PolarHBondContact OD1-OE2 2.9Å; D384-E386 VanDerWaalsContact C-N 3.27Å; D384-E386 PolarHBondContact O-N 3.45Å; E386-F396 HydrophobicContact CB-CE2 4.09Å; E386-F396 HydrophobicContact CB-CZ 3.82Å; E386-F396 HydrophobicContact CG-CE1 4.39Å; E386-F396 HydrophobicContact CG-CE2 4.25Å; E386-F396 HydrophobicContact CG-CZ 3.78Å; E386-R402 WeakPolarHBondContact OE1-CD 3.45Å; E386-R402 IonicContact OE1-CZ 3.69Å; E386-R402 IonicContact OE1-NE 3.9Å; E386-R402 IonicContact OE1-NH1 2.72Å; E386-R402 PolarHBondContact OE1-NH1 2.86Å; E386-R405 VanDerWaalsContact CD-NH2 3.32Å; E386-R405 IonicContact OE1-CZ 3.4Å; E386-R405 IonicContact OE1-NH1 2.78Å; E386-R405 PolarHBondContact OE1-NH1 3.17Å; E386-R405 IonicContact OE1-NH2 3.37Å; E386-R405 PolarHBondContact OE1-NH2 2.88Å; E386-R405 VanDerWaalsContact OE1-NH2 3.17Å; E386-R405 IonicContact OE2-CZ 3.65Å; E386-R405 IonicContact OE2-NH1 3.77Å; E386-R405 IonicContact OE2-NH2 3.65Å; E386-R405 PolarHBondContact OE2-NH2 2.88Å
387L88.3Confident87.4Confident15 Ų1554.5 Ų54.58%0.07929%0.285CS..Hα-helixtrans-73-43.4-178.2-70175.1000113.1T328 L329 R330 M379 M382 N383 D384 N389T328-L387 WeakPolarHBondContact CB-O 3.23Å; L329-L387 HydrophobicContact CB-CD2 3.98Å; L329-L387 PolarHBondContact N-O 2.84Å; L329-L387 VanDerWaalsContact N-O 3.16Å; R330-L387 HydrophobicContact CB-CB 4.33Å; R330-L387 PolarHBondContact N-O 3.4Å; R330-L387 VanDerWaalsContact N-O 3.13Å; M379-L387 HydrophobicContact CB-CD2 4.3Å; M382-L387 HydrophobicContact CB-CD2 3.93Å; M382-L387 HydrophobicContact CB-CG 3.93Å; M382-L387 HydrophobicContact SD-CD2 4.01Å; N383-L387 PolarHBondContact O-N 2.93Å; D384-L387 PolarHBondContact O-N 3.33Å; L387-N389 VanDerWaalsContact C-N 3.35Å
388D86.5Confident87.1Confident78 Ų7859.2 Ų59.242%0.41730%0.301SS..SBendtrans-90.20.6-173.8-63.5-49.2000113.4R330 D384 K390R330-D388 WeakPolarHBondContact CD-OD1 3.42Å; R330-D388 IonicContact CZ-OD1 3.21Å; R330-D388 IonicContact CZ-OD2 2.62Å; R330-D388 IonicContact NE-OD1 2.98Å; R330-D388 PolarHBondContact NE-OD1 2.99Å; R330-D388 IonicContact NE-OD2 3.51Å; R330-D388 PolarHBondContact NE-OD2 3.02Å; R330-D388 IonicContact NH2-OD1 2.67Å; R330-D388 IonicContact NH2-OD2 3.4Å; R330-D388 PolarHBondContact NH2-OD2 3.23Å; D384-D388 VanDerWaalsContact O-CB 3.27Å; D384-D388 WeakPolarHBondContact O-CB 3.44Å; D384-D388 PolarHBondContact O-N 3.03Å; D388-K390 PolarHBondContact O-N 3.39Å
389N84.9Confident86.9Confident58 Ų5863.8 Ų63.831%0.3132%0.322SS..  trans-71.8131.5176.1-157.5-61.8000111Q385 L387 D391 G392 L395Q385-N389 WeakPolarHBondContact O-CB 3.33Å; L387-N389 VanDerWaalsContact C-N 3.35Å; N389-D391 PolarHBondContact O-N 2.78Å; N389-D391 PolarHBondContact OD1-N 3.44Å; N389-G392 PolarHBondContact O-N 3.31Å; N389-L395 HydrophobicContact CB-CD1 3.57Å; N389-L395 WeakPolarHBondContact ND2-CD1 3.29Å
390K75.9Confident86.8Confident136 Ų13667.6 Ų67.659%0.59135%0.346SS*.THydrogen-bonded Turntrans-53.7-25.8174.3-61.3-170.5-177-167.60113.4D388D388-K390 PolarHBondContact O-N 3.39Å
391D75.6Confident86.8Confident84 Ų8469.7 Ų69.745%0.44936%0.358SS..THydrogen-bonded Turntrans-132.954.8-178.6-136.3-9.1000110N389 A393 K394N389-D391 PolarHBondContact O-N 2.78Å; N389-D391 PolarHBondContact OD1-N 3.44Å; D391-A393 VanDerWaalsContact C-N 3.26Å; D391-A393 PolarHBondContact O-N 3.28Å; D391-A393 VanDerWaalsContact O-N 3.15Å; D391-K394 HydrophobicContact CB-CB 4.13Å; D391-K394 VanDerWaalsContact O-CB 3.3Å; D391-K394 WeakPolarHBondContact O-CB 3.11Å; D391-K394 PolarHBondContact O-N 2.9Å
392G78.1Confident86.7Confident0 Ų070.3 Ų70.30%036%0.356CS..Hα-helixtrans-46.7-44.9-176.300000113.7N389 K394 L395 F396N389-G392 PolarHBondContact O-N 3.31Å; G392-K394 VanDerWaalsContact C-N 3.28Å; G392-K394 PolarHBondContact O-N 3.5Å; G392-L395 WeakPolarHBondContact O-CB 3.46Å; G392-L395 PolarHBondContact O-N 3Å; G392-F396 WeakPolarHBondContact O-CD2 3.46Å
393A82.1Confident86.6Confident12 Ų1270.4 Ų70.410%0.09936%0.357CS..Hα-helixtrans-56.3-38.2176.700000113.8D391 L395 F396 T397 Y424D391-A393 VanDerWaalsContact C-N 3.26Å; D391-A393 PolarHBondContact O-N 3.28Å; D391-A393 VanDerWaalsContact O-N 3.15Å; A393-L395 VanDerWaalsContact C-N 3.34Å; A393-L395 PolarHBondContact O-N 3.1Å; A393-F396 PolarHBondContact O-N 3.39Å; A393-T397 PolarHBondContact O-N 2.82Å; A393-T397 VanDerWaalsContact O-N 3.14Å; A393-T397 PolarHBondContact O-OG1 2.9Å; A393-T397 VanDerWaalsContact O-OG1 3.12Å; A393-Y424 HydrophobicContact CB-CD1 4Å; A393-Y424 HydrophobicContact CB-CE1 4.12Å
394K83.8Confident86.5Confident113 Ų11369.7 Ų69.749%0.49136%0.358SS..Hα-helixtrans-69.3-30.9-178-166.1176.1-174.1173.70112.5D391 G392 T397 K398D391-K394 HydrophobicContact CB-CB 4.13Å; D391-K394 VanDerWaalsContact O-CB 3.3Å; D391-K394 WeakPolarHBondContact O-CB 3.11Å; D391-K394 PolarHBondContact O-N 2.9Å; G392-K394 VanDerWaalsContact C-N 3.28Å; G392-K394 PolarHBondContact O-N 3.5Å; K394-T397 PolarHBondContact O-N 3.25Å; K394-K398 WeakPolarHBondContact O-CG 3.46Å; K394-K398 PolarHBondContact O-N 3.41Å
395L85.3Confident86.7Confident38 Ų3868.7 Ų68.720%0.19935%0.347CS..Hα-helixtrans-62.7-44.7173.6-89.8170.1000111.5Q385 N389 G392 A393 T397 K398 Q399Q385-L395 WeakPolarHBondContact O-CD1 3.5Å; N389-L395 HydrophobicContact CB-CD1 3.57Å; N389-L395 WeakPolarHBondContact ND2-CD1 3.29Å; G392-L395 WeakPolarHBondContact O-CB 3.46Å; G392-L395 PolarHBondContact O-N 3Å; A393-L395 VanDerWaalsContact C-N 3.34Å; A393-L395 PolarHBondContact O-N 3.1Å; L395-T397 VanDerWaalsContact C-N 3.33Å; L395-T397 PolarHBondContact O-N 3.12Å; L395-K398 PolarHBondContact O-N 3.39Å; L395-Q399 PolarHBondContact O-N 3.08Å
396F86.9Confident87Confident1 Ų162 Ų620%0.00432%0.315CS..Hα-helixtrans-67.5-32.9177.8-68.9-81.2000112.3L329 M382 E386 G392 A393 Q399 R402 I403 V406 L421L329-F396 HydrophobicContact CD1-CE2 4.02Å; M382-F396 HydrophobicContact CE-CE1 4.46Å; M382-F396 HydrophobicContact CE-CE2 4.18Å; M382-F396 HydrophobicContact CE-CZ 3.82Å; M382-F396 HydrophobicContact CG-CZ 3.96Å; M382-F396 HydrophobicContact SD-CE2 4.03Å; M382-F396 HydrophobicContact SD-CZ 3.67Å; E386-F396 HydrophobicContact CB-CE2 4.09Å; E386-F396 HydrophobicContact CB-CZ 3.82Å; E386-F396 HydrophobicContact CG-CE1 4.39Å; E386-F396 HydrophobicContact CG-CE2 4.25Å; E386-F396 HydrophobicContact CG-CZ 3.78Å; G392-F396 WeakPolarHBondContact O-CD2 3.46Å; A393-F396 PolarHBondContact O-N 3.39Å; F396-Q399 CarbonylContact O-C 3.35Å; F396-R402 HydrophobicContact CD1-CB 3.68Å; F396-R402 HydrophobicContact CE1-CB 3.8Å; F396-I403 HydrophobicContact CB-CD1 4.31Å; F396-I403 HydrophobicContact CB-CG1 4.06Å; F396-I403 HydrophobicContact CD1-CG1 3.95Å; F396-I403 HydrophobicContact CG-CG1 4.45Å; F396-V406 HydrophobicContact CE1-CG2 4.01Å; F396-L421 HydrophobicContact CB-CD1 3.47Å; F396-L421 VanDerWaalsContact CB-CD1 3.47Å; F396-L421 HydrophobicContact CD1-CD1 4.36Å; F396-L421 HydrophobicContact CD2-CD1 3.97Å; F396-L421 HydrophobicContact CD2-CD2 3.56Å; F396-L421 HydrophobicContact CD2-CG 4.41Å; F396-L421 HydrophobicContact CE2-CD2 3.98Å; F396-L421 HydrophobicContact CG-CD1 3.68Å; F396-L421 HydrophobicContact CG-CD2 4.16Å
397T85.4Confident87.2Confident112 Ų11262.3 Ų62.369%0.68732%0.318SS*.Hα-helixtrans-67.2-40.8172-48.70000112.3A393 K394 L395A393-T397 PolarHBondContact O-N 2.82Å; A393-T397 VanDerWaalsContact O-N 3.14Å; A393-T397 PolarHBondContact O-OG1 2.9Å; A393-T397 VanDerWaalsContact O-OG1 3.12Å; K394-T397 PolarHBondContact O-N 3.25Å; L395-T397 VanDerWaalsContact C-N 3.33Å; L395-T397 PolarHBondContact O-N 3.12Å
398K87.2Confident87.4Confident153 Ų15371 Ų7167%0.66535%0.349SS*.Hα-helixtrans-70.1-33.2178.3-75.1-177.9177.3-171.90113K394 L395K394-K398 WeakPolarHBondContact O-CG 3.46Å; K394-K398 PolarHBondContact O-N 3.41Å; L395-K398 PolarHBondContact O-N 3.39Å
399Q89.5Confident87.8Confident96 Ų9670 Ų7045%0.44936%0.358SS..  trans-130.381.1-178-68.4-175.7-20.100110.9L395 F396 N401 R402L395-Q399 PolarHBondContact O-N 3.08Å; F396-Q399 CarbonylContact O-C 3.35Å; Q399-N401 PolarHBondContact O-N 2.94Å; Q399-N401 VanDerWaalsContact O-N 3.08Å; Q399-R402 HydrophobicContact CB-CG 4.14Å; Q399-R402 WeakPolarHBondContact O-CB 3.43Å; Q399-R402 WeakPolarHBondContact O-CG 3.42Å; Q399-R402 PolarHBondContact O-N 3.34Å
400P89.9Confident88.2Confident81 Ų8168.5 Ų68.553%0.52635%0.352SS..THydrogen-bonded Turntrans-58.5-24.5-178-26.135.3000114.4R402 I403 A404P400-R402 PolarHBondContact O-N 3.37Å; P400-R402 VanDerWaalsContact O-N 3.12Å; P400-I403 VanDerWaalsContact O-CB 3.3Å; P400-I403 WeakPolarHBondContact O-CB 3.3Å; P400-I403 PolarHBondContact O-N 3.4Å; P400-A404 PolarHBondContact O-N 3.29Å
401N91.8Very high89Confident141 Ų14165.5 Ų65.575%0.75436%0.359SS*.Hα-helixtrans-57.8-26.2175.3-68.4-13.5000112.9Q399 I403 A404 R405Q399-N401 PolarHBondContact O-N 2.94Å; Q399-N401 VanDerWaalsContact O-N 3.08Å; N401-I403 VanDerWaalsContact C-N 3.34Å; N401-A404 PolarHBondContact O-N 3.29Å; N401-R405 PolarHBondContact O-N 3.07Å
402R92Very high89.9Confident42 Ų4262.7 Ų62.716%0.15835%0.345CS..Hα-helixtrans-65.3-37.8174.2-64178.8-178.7-97.81.3111.8E386 F396 Q399 P400 A404 R405 V406E386-R402 WeakPolarHBondContact OE1-CD 3.45Å; E386-R402 IonicContact OE1-CZ 3.69Å; E386-R402 IonicContact OE1-NE 3.9Å; E386-R402 IonicContact OE1-NH1 2.72Å; E386-R402 PolarHBondContact OE1-NH1 2.86Å; F396-R402 HydrophobicContact CD1-CB 3.68Å; F396-R402 HydrophobicContact CE1-CB 3.8Å; Q399-R402 HydrophobicContact CB-CG 4.14Å; Q399-R402 WeakPolarHBondContact O-CB 3.43Å; Q399-R402 WeakPolarHBondContact O-CG 3.42Å; Q399-R402 PolarHBondContact O-N 3.34Å; P400-R402 PolarHBondContact O-N 3.37Å; P400-R402 VanDerWaalsContact O-N 3.12Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 2.9Å; R402-R405 WeakPolarHBondContact O-CB 3.18Å; R402-R405 PolarHBondContact O-N 3.48Å; R402-V406 WeakPolarHBondContact O-CG2 3.47Å; R402-V406 PolarHBondContact O-N 3.19Å
403I91.8Very high90.7Very high17 Ų1765.3 Ų65.39%0.08737%0.367CS..Hα-helixtrans-62.1-44.9176.7-57.6177.5000109.8F396 P400 N401 R405 V406 A407 T414 V417 Q418F396-I403 HydrophobicContact CB-CD1 4.31Å; F396-I403 HydrophobicContact CB-CG1 4.06Å; F396-I403 HydrophobicContact CD1-CG1 3.95Å; F396-I403 HydrophobicContact CG-CG1 4.45Å; P400-I403 VanDerWaalsContact O-CB 3.3Å; P400-I403 WeakPolarHBondContact O-CB 3.3Å; P400-I403 PolarHBondContact O-N 3.4Å; N401-I403 VanDerWaalsContact C-N 3.34Å; I403-R405 VanDerWaalsContact C-N 3.32Å; I403-R405 PolarHBondContact O-N 2.89Å; I403-V406 PolarHBondContact O-N 3.47Å; I403-A407 VanDerWaalsContact O-CB 3.23Å; I403-A407 WeakPolarHBondContact O-CB 3.42Å; I403-A407 PolarHBondContact O-N 2.83Å; I403-T414 HydrophobicContact CG2-CG2 4.42Å; I403-V417 HydrophobicContact CG2-CB 3.92Å; I403-V417 HydrophobicContact CG2-CG1 3.95Å; I403-Q418 HydrophobicContact CD1-CG 4.27Å; I403-Q418 HydrophobicContact CG2-CG 4.43Å
404A92Very high91.2Very high40 Ų4068.3 Ų68.333%0.33138%0.384SS..Hα-helixtrans-66.2-32177.200000113P400 N401 R402 R408P400-A404 PolarHBondContact O-N 3.29Å; N401-A404 PolarHBondContact O-N 3.29Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 2.9Å; A404-R408 VanDerWaalsContact O-CG 3.31Å; A404-R408 WeakPolarHBondContact O-CG 3.46Å; A404-R408 PolarHBondContact O-N 3.44Å; A404-R408 PolarHBondContact O-NE 3.43Å
405R95.1Very high91.6Very high85 Ų8570.7 Ų70.732%0.32139%0.39SS..Hα-helixtrans-68.3-51.1173.3-169.7-159.775.5-138.6-5.9111.3S381 E386 N401 R402 I403 A407 R408 G409S381-R405 PolarHBondContact O-NH2 3.28Å; E386-R405 VanDerWaalsContact CD-NH2 3.32Å; E386-R405 IonicContact OE1-CZ 3.4Å; E386-R405 IonicContact OE1-NH1 2.78Å; E386-R405 PolarHBondContact OE1-NH1 3.17Å; E386-R405 IonicContact OE1-NH2 3.37Å; E386-R405 PolarHBondContact OE1-NH2 2.88Å; E386-R405 VanDerWaalsContact OE1-NH2 3.17Å; E386-R405 IonicContact OE2-CZ 3.65Å; E386-R405 IonicContact OE2-NH1 3.77Å; E386-R405 IonicContact OE2-NH2 3.65Å; E386-R405 PolarHBondContact OE2-NH2 2.88Å; N401-R405 PolarHBondContact O-N 3.07Å; R402-R405 WeakPolarHBondContact O-CB 3.18Å; R402-R405 PolarHBondContact O-N 3.48Å; I403-R405 VanDerWaalsContact C-N 3.32Å; I403-R405 PolarHBondContact O-N 2.89Å; R405-A407 VanDerWaalsContact C-N 3.35Å; R405-A407 PolarHBondContact O-N 3.5Å; R405-R408 PolarHBondContact O-N 2.99Å; R405-G409 PolarHBondContact O-N 3.24Å
406V94.7Very high91.9Very high0 Ų070.7 Ų70.70%039%0.39CS..Hα-helixtrans-60.2-45-179.9169.80000110.9I378 M382 F396 R402 I403 R408 G409 S410 V417I378-V406 HydrophobicContact CG2-CG1 3.59Å; I378-V406 WeakPolarHBondContact O-CG1 3.47Å; M382-V406 HydrophobicContact CE-CG1 4.4Å; M382-V406 HydrophobicContact CG-CG1 4.49Å; M382-V406 HydrophobicContact CG-CG2 3.95Å; F396-V406 HydrophobicContact CE1-CG2 4.01Å; R402-V406 WeakPolarHBondContact O-CG2 3.47Å; R402-V406 PolarHBondContact O-N 3.19Å; I403-V406 PolarHBondContact O-N 3.47Å; V406-R408 PolarHBondContact O-N 3.22Å; V406-G409 PolarHBondContact O-N 3.35Å; V406-S410 PolarHBondContact O-N 2.89Å; V406-S410 PolarHBondContact O-OG 3.15Å; V406-V417 HydrophobicContact CB-CG1 4.37Å; V406-V417 HydrophobicContact CG1-CG1 3.94Å; V406-V417 HydrophobicContact CG1-CG2 3.95Å
407A94.6Very high92.2Very high6 Ų670.6 Ų70.65%0.0539%0.39CS..Hα-helixtrans-58.4-45.1177.100000112.2I403 R405 G411 V412 T414 V417I403-A407 VanDerWaalsContact O-CB 3.23Å; I403-A407 WeakPolarHBondContact O-CB 3.42Å; I403-A407 PolarHBondContact O-N 2.83Å; R405-A407 VanDerWaalsContact C-N 3.35Å; R405-A407 PolarHBondContact O-N 3.5Å; A407-G411 PolarHBondContact O-N 3.25Å; A407-V412 WeakPolarHBondContact CB-O 3.43Å; A407-V412 PolarHBondContact O-N 3.21Å; A407-T414 HydrophobicContact CB-CG2 3.96Å; A407-V417 HydrophobicContact CB-CG2 4.02Å
408R93.2Very high92.4Very high197 Ų19770 Ų7074%0.74338%0.379SS*.Hα-helixtrans-65.8-41.8175.8-74.2-175.6-64.6156.2-0.7112.9A404 R405 V406 S410 G411A404-R408 VanDerWaalsContact O-CG 3.31Å; A404-R408 WeakPolarHBondContact O-CG 3.46Å; A404-R408 PolarHBondContact O-N 3.44Å; A404-R408 PolarHBondContact O-NE 3.43Å; R405-R408 PolarHBondContact O-N 2.99Å; V406-R408 PolarHBondContact O-N 3.22Å; R408-S410 VanDerWaalsContact C-N 3.34Å; R408-G411 PolarHBondContact O-N 3.33Å
409G93.4Very high92.5Very high59 Ų5966.5 Ų66.561%0.60837%0.365SS*.Hα-helixtrans-67.2-33.2-17900000113.7S381 R405 V406S381-G409 VanDerWaalsContact OG-C 3.27Å; R405-G409 PolarHBondContact O-N 3.24Å; V406-G409 PolarHBondContact O-N 3.35Å
410S92.8Very high92.5Very high26 Ų2662 Ų6218%0.18234%0.344CS..Hα-helixtrans-97.9-3.4179.753.20000113.9S381 V406 R408 V412S381-S410 PolarHBondContact OG-N 2.88Å; V406-S410 PolarHBondContact O-N 2.89Å; V406-S410 PolarHBondContact O-OG 3.15Å; R408-S410 VanDerWaalsContact C-N 3.34Å; S410-V412 VanDerWaalsContact C-N 3.28Å; S410-V412 PolarHBondContact O-N 2.91Å; S410-V412 WeakPolarHBondContact OG-CG2 3.24Å
411G93.9Very high92.5Very high72 Ų7258.8 Ų58.874%0.74232%0.322SS*.THydrogen-bonded Turntrans67.824.2-179.100000114.3A407 R408A407-G411 PolarHBondContact O-N 3.25Å; R408-G411 PolarHBondContact O-N 3.33Å
412V94.4Very high92.3Very high25 Ų2555.5 Ų55.515%0.15231%0.308CS..  trans-109.1165.9-178-53.40000112I378 A407 S410 D416 V417I378-V412 HydrophobicContact CD1-CG1 4.24Å; I378-V412 HydrophobicContact CD1-CG2 4.05Å; I378-V412 HydrophobicContact CG1-CG1 4.07Å; I378-V412 HydrophobicContact CG1-CG2 3.96Å; A407-V412 WeakPolarHBondContact CB-O 3.43Å; A407-V412 PolarHBondContact O-N 3.21Å; S410-V412 VanDerWaalsContact C-N 3.28Å; S410-V412 PolarHBondContact O-N 2.91Å; S410-V412 WeakPolarHBondContact OG-CG2 3.24Å; V412-D416 HydrophobicContact CB-CB 4.09Å; V412-D416 HydrophobicContact CG2-CB 4.09Å; V412-V417 HydrophobicContact CG2-CG2 3.8Å
413A94.3Very high92Very high55 Ų5557.8 Ų57.846%0.45532%0.32SS..  trans-71.9151.4172.800000111.2R415 D416A413-R415 PolarHBondContact O-N 3.03Å; A413-R415 VanDerWaalsContact O-N 3.15Å; A413-D416 WeakPolarHBondContact O-CB 3.48Å; A413-D416 PolarHBondContact O-N 2.67Å
414T92.9Very high91.7Very high75 Ų7557.2 Ų57.246%0.4632%0.317SS..Hα-helixtrans-57.1-30.8174.749.80000112.7I403 A407 V417 Q418I403-T414 HydrophobicContact CG2-CG2 4.42Å; A407-T414 HydrophobicContact CB-CG2 3.96Å; T414-V417 PolarHBondContact O-N 2.81Å; T414-Q418 WeakPolarHBondContact O-CG 3.27Å; T414-Q418 PolarHBondContact O-N 3.5Å; T414-Q418 VanDerWaalsContact O-N 3.15Å
415R93Very high91.4Very high163 Ų16357.8 Ų57.862%0.61532%0.316SS*.Hα-helixtrans-59.3-42.8172.8179.2177.7171.9160.20.6112.5A413 V417 Q418 E419A413-R415 PolarHBondContact O-N 3.03Å; A413-R415 VanDerWaalsContact O-N 3.15Å; R415-V417 VanDerWaalsContact C-N 3.27Å; R415-V417 PolarHBondContact O-N 3.31Å; R415-Q418 WeakPolarHBondContact O-CB 3.47Å; R415-Q418 PolarHBondContact O-N 2.92Å; R415-Q418 VanDerWaalsContact O-N 3.13Å; R415-E419 HydrophobicContact CG-CG 4.38Å; R415-E419 IonicContact CZ-OE1 3.68Å; R415-E419 IonicContact NE-OE1 2.84Å; R415-E419 PolarHBondContact NE-OE1 2.89Å; R415-E419 IonicContact NH2-OE1 2.77Å; R415-E419 PolarHBondContact NH2-OE1 3.49Å; R415-E419 WeakPolarHBondContact O-CG 3.37Å; R415-E419 PolarHBondContact O-N 3.35Å
416D91.6Very high90.8Very high38 Ų3859.8 Ų59.820%0.20333%0.328CS..Hα-helixtrans-63.5-37.5-178.3-65.8-18000111K374 I378 V412 A413 E419 L420K374-D416 WeakPolarHBondContact CE-OD2 3.36Å; K374-D416 IonicContact NZ-OD1 2.69Å; K374-D416 IonicContact NZ-OD2 3.66Å; K374-D416 PolarHBondContact NZ-OD2 2.82Å; I378-D416 HydrophobicContact CD1-CB 4.35Å; V412-D416 HydrophobicContact CB-CB 4.09Å; V412-D416 HydrophobicContact CG2-CB 4.09Å; A413-D416 WeakPolarHBondContact O-CB 3.48Å; A413-D416 PolarHBondContact O-N 2.67Å; D416-E419 PolarHBondContact O-N 2.99Å; D416-L420 PolarHBondContact O-N 3.35Å
417V91.7Very high90.1Very high0 Ų063.4 Ų63.40%034%0.343CS..Hα-helixtrans-66.8-41.5175.3-174.40000110.9I378 I403 V406 A407 V412 T414 R415 L420 L421I378-V417 HydrophobicContact CG2-CG1 4.38Å; I378-V417 HydrophobicContact CG2-CG2 4.08Å; I403-V417 HydrophobicContact CG2-CB 3.92Å; I403-V417 HydrophobicContact CG2-CG1 3.95Å; V406-V417 HydrophobicContact CB-CG1 4.37Å; V406-V417 HydrophobicContact CG1-CG1 3.94Å; V406-V417 HydrophobicContact CG1-CG2 3.95Å; A407-V417 HydrophobicContact CB-CG2 4.02Å; V412-V417 HydrophobicContact CG2-CG2 3.8Å; T414-V417 PolarHBondContact O-N 2.81Å; R415-V417 VanDerWaalsContact C-N 3.27Å; R415-V417 PolarHBondContact O-N 3.31Å; V417-L420 PolarHBondContact O-N 3.05Å; V417-L421 WeakPolarHBondContact O-CG 3.47Å; V417-L421 PolarHBondContact O-N 3.35Å
418Q90.4Very high89.3Confident100 Ų10064.2 Ų64.247%0.46735%0.35SS..Hα-helixtrans-65.8-37.8175.8-69.9174.4-19.700112.4I403 T414 R415 L421 T422I403-Q418 HydrophobicContact CD1-CG 4.27Å; I403-Q418 HydrophobicContact CG2-CG 4.43Å; T414-Q418 WeakPolarHBondContact O-CG 3.27Å; T414-Q418 PolarHBondContact O-N 3.5Å; T414-Q418 VanDerWaalsContact O-N 3.15Å; R415-Q418 WeakPolarHBondContact O-CB 3.47Å; R415-Q418 PolarHBondContact O-N 2.92Å; R415-Q418 VanDerWaalsContact O-N 3.13Å; Q418-L421 PolarHBondContact O-N 3.15Å; Q418-T422 WeakPolarHBondContact O-CB 3.49Å; Q418-T422 PolarHBondContact O-N 3.16Å; Q418-T422 PolarHBondContact O-OG1 3.47Å
419E89.6Confident88.7Confident78 Ų7860.2 Ų60.236%0.36434%0.34SS..Hα-helixtrans-62.8-44.1174-74.8-177.8-170.800111R415 D416 L421 T422 Q423R415-E419 HydrophobicContact CG-CG 4.38Å; R415-E419 IonicContact CZ-OE1 3.68Å; R415-E419 IonicContact NE-OE1 2.84Å; R415-E419 PolarHBondContact NE-OE1 2.89Å; R415-E419 IonicContact NH2-OE1 2.77Å; R415-E419 PolarHBondContact NH2-OE1 3.49Å; R415-E419 WeakPolarHBondContact O-CG 3.37Å; R415-E419 PolarHBondContact O-N 3.35Å; D416-E419 PolarHBondContact O-N 2.99Å; E419-L421 PolarHBondContact O-N 3.26Å; E419-T422 WeakPolarHBondContact O-CB 3.45Å; E419-T422 PolarHBondContact O-N 2.71Å; E419-Q423 VanDerWaalsContact O-CG 3.29Å; E419-Q423 WeakPolarHBondContact O-CG 3.32Å; E419-Q423 PolarHBondContact O-N 2.63Å
420L89.7Confident87.7Confident1 Ų162.9 Ų62.91%0.00534%0.338CS..Hα-helixtrans-57.3-48.5173.5-177.2156.5000111.5L329 M332 L375 I378 M379 M382 D416 V417 T422 Q423 Y424L329-L420 HydrophobicContact CD2-CD2 4.16Å; M332-L420 HydrophobicContact CE-CD2 4.06Å; M332-L420 HydrophobicContact CE-CG 4.39Å; L375-L420 HydrophobicContact CB-CD1 4.06Å; L375-L420 HydrophobicContact CD2-CB 3.91Å; L375-L420 HydrophobicContact CD2-CD1 3.68Å; L375-L420 HydrophobicContact CD2-CG 3.94Å; L375-L420 HydrophobicContact CG-CD1 4.47Å; I378-L420 HydrophobicContact CB-CD1 3.85Å; I378-L420 HydrophobicContact CD1-CD1 4.32Å; I378-L420 HydrophobicContact CG2-CD1 3.74Å; M379-L420 HydrophobicContact CG-CD1 4.03Å; M382-L420 HydrophobicContact CE-CD2 4.16Å; D416-L420 PolarHBondContact O-N 3.35Å; V417-L420 PolarHBondContact O-N 3.05Å; L420-T422 VanDerWaalsContact C-N 3.27Å; L420-T422 PolarHBondContact O-N 2.93Å; L420-Q423 WeakPolarHBondContact O-CB 3.47Å; L420-Q423 PolarHBondContact O-N 3.23Å; L420-Y424 WeakPolarHBondContact O-CB 3.47Å; L420-Y424 PolarHBondContact O-N 3.41Å
421L89.3Confident86.7Confident14 Ų1462.2 Ų62.27%0.07333%0.332CS..Hα-helixtrans-63.8-34.8179.6-65.7173000112.4L329 F396 V417 Q418 E419 T425L329-L421 HydrophobicContact CD1-CD2 4.41Å; F396-L421 HydrophobicContact CB-CD1 3.47Å; F396-L421 VanDerWaalsContact CB-CD1 3.47Å; F396-L421 HydrophobicContact CD1-CD1 4.36Å; F396-L421 HydrophobicContact CD2-CD1 3.97Å; F396-L421 HydrophobicContact CD2-CD2 3.56Å; F396-L421 HydrophobicContact CD2-CG 4.41Å; F396-L421 HydrophobicContact CE2-CD2 3.98Å; F396-L421 HydrophobicContact CG-CD1 3.68Å; F396-L421 HydrophobicContact CG-CD2 4.16Å; V417-L421 WeakPolarHBondContact O-CG 3.47Å; V417-L421 PolarHBondContact O-N 3.35Å; Q418-L421 PolarHBondContact O-N 3.15Å; E419-L421 PolarHBondContact O-N 3.26Å; L421-T425 WeakPolarHBondContact O-CB 3.41Å; L421-T425 PolarHBondContact O-N 3.22Å; L421-T425 PolarHBondContact O-OG1 3.41Å
422T88.1Confident85.7Confident73 Ų7366.1 Ų66.145%0.44833%0.329SS..Hα-helixtrans-67.8-42.8175-55.90000111Q418 E419 L420 T425 K426Q418-T422 WeakPolarHBondContact O-CB 3.49Å; Q418-T422 PolarHBondContact O-N 3.16Å; Q418-T422 PolarHBondContact O-OG1 3.47Å; E419-T422 WeakPolarHBondContact O-CB 3.45Å; E419-T422 PolarHBondContact O-N 2.71Å; L420-T422 VanDerWaalsContact C-N 3.27Å; L420-T422 PolarHBondContact O-N 2.93Å; T422-T425 PolarHBondContact O-N 3.15Å; T422-K426 WeakPolarHBondContact O-CG 3.34Å; T422-K426 PolarHBondContact O-N 3.11Å; T422-K426 VanDerWaalsContact O-N 3.08Å
423Q84.6Confident84.5Confident90 Ų9072.1 Ų72.142%0.42135%0.353SS..Hα-helixtrans-63-46174.9-71171.98.500111.2E419 L420 T425 K426 F427E419-Q423 VanDerWaalsContact O-CG 3.29Å; E419-Q423 WeakPolarHBondContact O-CG 3.32Å; E419-Q423 PolarHBondContact O-N 2.63Å; L420-Q423 WeakPolarHBondContact O-CB 3.47Å; L420-Q423 PolarHBondContact O-N 3.23Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.34Å; Q423-K426 PolarHBondContact O-N 2.91Å; Q423-F427 WeakPolarHBondContact O-CB 3.14Å; Q423-F427 PolarHBondContact O-N 2.94Å
424Y86.1Confident82.7Confident4 Ų475.4 Ų75.42%0.01636%0.36CS..Hα-helixtrans-55-47.2172.8165.9-100.5000111.7F327 L329 M332 A393 L420 K426 F427 A428F327-Y424 HydrophobicContact CD1-CD2 4.41Å; F327-Y424 AromaticContact CD1-CE2 3.87Å; F327-Y424 HydrophobicContact CD1-CE2 3.87Å; F327-Y424 HydrophobicContact CE1-CD2 4.12Å; F327-Y424 AromaticContact CE1-CE2 3.97Å; F327-Y424 HydrophobicContact CE1-CE2 3.97Å; F327-Y424 PolarHBondContact O-OH 2.82Å; L329-Y424 HydrophobicContact CB-CE2 4.49Å; L329-Y424 HydrophobicContact CD2-CD1 4.14Å; L329-Y424 HydrophobicContact CD2-CD2 3.45Å; L329-Y424 VanDerWaalsContact CD2-CD2 3.45Å; L329-Y424 HydrophobicContact CD2-CE2 3.93Å; L329-Y424 HydrophobicContact CD2-CG 3.54Å; L329-Y424 HydrophobicContact CG-CD1 4.44Å; L329-Y424 HydrophobicContact CG-CD2 3.94Å; L329-Y424 HydrophobicContact CG-CE1 4.39Å; L329-Y424 HydrophobicContact CG-CE2 3.87Å; L329-Y424 HydrophobicContact CG-CG 4.21Å; M332-Y424 HydrophobicContact CB-CD2 4.44Å; M332-Y424 HydrophobicContact CE-CD2 4.47Å; M332-Y424 HydrophobicContact SD-CD2 3.83Å; M332-Y424 HydrophobicContact SD-CG 4.33Å; A393-Y424 HydrophobicContact CB-CD1 4Å; A393-Y424 HydrophobicContact CB-CE1 4.12Å; L420-Y424 WeakPolarHBondContact O-CB 3.47Å; L420-Y424 PolarHBondContact O-N 3.41Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.3Å; Y424-F427 PolarHBondContact O-N 2.76Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; Y424-A428 WeakPolarHBondContact O-CB 3.3Å; Y424-A428 PolarHBondContact O-N 3.13Å
425T85.6Confident81Confident52 Ų5273 Ų7332%0.31935%0.351SS..Hα-helixtrans-61.8-42.4-179.5-56.30000111.5L421 T422 Q423 F427 Q429L421-T425 WeakPolarHBondContact O-CB 3.41Å; L421-T425 PolarHBondContact O-N 3.22Å; L421-T425 PolarHBondContact O-OG1 3.41Å; T422-T425 PolarHBondContact O-N 3.15Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.34Å; T425-F427 VanDerWaalsContact C-N 3.34Å; T425-Q429 WeakPolarHBondContact O-CB 3.42Å; T425-Q429 VanDerWaalsContact O-CG 3.25Å; T425-Q429 WeakPolarHBondContact O-CG 3.48Å; T425-Q429 PolarHBondContact O-N 2.7Å
426K83.6Confident78.9Confident128 Ų12867.8 Ų67.856%0.55735%0.347SS*.Hα-helixtrans-62.9-42.1174.4-70.3174.1-179.4178.70111.3T422 Q423 Y424 Q429 M430T422-K426 WeakPolarHBondContact O-CG 3.34Å; T422-K426 PolarHBondContact O-N 3.11Å; T422-K426 VanDerWaalsContact O-N 3.08Å; Q423-K426 PolarHBondContact O-N 2.91Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.3Å; K426-Q429 PolarHBondContact O-N 3.48Å; K426-M430 WeakPolarHBondContact O-CG 3.44Å; K426-M430 PolarHBondContact O-N 3.05Å
427F78.8Confident76.6Confident76 Ų7670.6 Ų70.633%0.33336%0.361SS..Hα-helixtrans-66.5-47.3179.5-158.8-85.7000111.7F327 Q423 Y424 T425 Q429 M430 V431F327-F427 HydrophobicContact CD1-CD1 4.3Å; F327-F427 AromaticContact CE1-CD1 3.44Å; F327-F427 HydrophobicContact CE1-CD1 3.44Å; F327-F427 VanDerWaalsContact CE1-CD1 3.44Å; F327-F427 HydrophobicContact CE1-CE1 4.06Å; F327-F427 HydrophobicContact CE1-CG 4.41Å; F327-F427 HydrophobicContact CE2-CD1 4.03Å; F327-F427 AromaticContact CE2-CE1 3.81Å; F327-F427 HydrophobicContact CE2-CE1 3.81Å; F327-F427 AromaticContact CZ-CD1 3.27Å; F327-F427 HydrophobicContact CZ-CD1 3.27Å; F327-F427 AromaticContact CZ-CE1 3.38Å; F327-F427 HydrophobicContact CZ-CE1 3.38Å; F327-F427 HydrophobicContact CZ-CG 4.46Å; Q423-F427 WeakPolarHBondContact O-CB 3.14Å; Q423-F427 PolarHBondContact O-N 2.94Å; Y424-F427 PolarHBondContact O-N 2.76Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; T425-F427 VanDerWaalsContact C-N 3.34Å; F427-Q429 VanDerWaalsContact C-N 3.27Å; F427-Q429 PolarHBondContact O-N 3.49Å; F427-M430 HydrophobicContact CD2-CE 4.05Å; F427-M430 WeakPolarHBondContact O-CB 3.46Å; F427-M430 PolarHBondContact O-N 3.38Å; F427-V431 HydrophobicContact CD1-CG2 3.72Å; F427-V431 HydrophobicContact CE1-CG2 3.61Å; F427-V431 WeakPolarHBondContact O-CG2 3.27Å; F427-V431 PolarHBondContact O-N 3.35Å
428A78.6Confident74.2Confident22 Ų2277.4 Ų77.418%0.18239%0.391CS..Hα-helixtrans-57.6-38.7174.600000112F327 Y424 V431 K432F327-A428 HydrophobicContact CD1-CB 3.98Å; Y424-A428 WeakPolarHBondContact O-CB 3.3Å; Y424-A428 PolarHBondContact O-N 3.13Å; A428-V431 PolarHBondContact O-N 3.34Å; A428-K432 VanDerWaalsContact O-CB 3.24Å; A428-K432 WeakPolarHBondContact O-CB 3.15Å; A428-K432 PolarHBondContact O-N 2.79Å
429Q79.6Confident71.8Confident113 Ų11376 Ų7653%0.52840%0.404SS..Hα-helixtrans-65.1-41.2173.9-75.3175.25.100112.8T425 K426 F427 K433T425-Q429 WeakPolarHBondContact O-CB 3.42Å; T425-Q429 VanDerWaalsContact O-CG 3.25Å; T425-Q429 WeakPolarHBondContact O-CG 3.48Å; T425-Q429 PolarHBondContact O-N 2.7Å; K426-Q429 PolarHBondContact O-N 3.48Å; F427-Q429 VanDerWaalsContact C-N 3.27Å; F427-Q429 PolarHBondContact O-N 3.49Å; Q429-K433 WeakPolarHBondContact O-CG 3.39Å; Q429-K433 PolarHBondContact O-N 2.74Å
430M73.4Confident69.4Low115 Ų11578.7 Ų78.757%0.56742%0.42SS*.Hα-helixtrans-64.4-46.1175-72.2-171.9-6800111.3K426 F427 K432 K433 M434K426-M430 WeakPolarHBondContact O-CG 3.44Å; K426-M430 PolarHBondContact O-N 3.05Å; F427-M430 HydrophobicContact CD2-CE 4.05Å; F427-M430 WeakPolarHBondContact O-CB 3.46Å; F427-M430 PolarHBondContact O-N 3.38Å; M430-K432 PolarHBondContact O-N 2.95Å; M430-K433 WeakPolarHBondContact O-CB 3.44Å; M430-K433 PolarHBondContact O-N 3.41Å; M430-M434 WeakPolarHBondContact O-CB 3.32Å; M430-M434 PolarHBondContact O-N 2.85Å
431V70.8Confident66.9Low12 Ų1286 Ų867%0.07345%0.452CS..Hα-helixtrans-60.9-43.9177.1170.60000111.2L322 F327 F427 A428 K433 M434 G435L322-V431 HydrophobicContact CD2-CG1 3.36Å; L322-V431 HydrophobicContact CD2-CG2 4.49Å; F327-V431 HydrophobicContact CB-CB 4.41Å; F327-V431 HydrophobicContact CB-CG1 3.95Å; F327-V431 HydrophobicContact CD2-CB 4.34Å; F327-V431 HydrophobicContact CD2-CG1 3.97Å; F327-V431 HydrophobicContact CD2-CG2 3.99Å; F327-V431 HydrophobicContact CE2-CG2 4.17Å; F327-V431 HydrophobicContact CG-CB 4.28Å; F327-V431 HydrophobicContact CG-CG1 4.11Å; F327-V431 HydrophobicContact CG-CG2 4.25Å; F427-V431 HydrophobicContact CD1-CG2 3.72Å; F427-V431 HydrophobicContact CE1-CG2 3.61Å; F427-V431 WeakPolarHBondContact O-CG2 3.27Å; F427-V431 PolarHBondContact O-N 3.35Å; A428-V431 PolarHBondContact O-N 3.34Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 2.99Å; V431-M434 PolarHBondContact O-N 3.13Å; V431-M434 VanDerWaalsContact O-N 3.16Å; V431-G435 PolarHBondContact O-N 3.36Å
432K72.8Confident64.4Low154 Ų15493.1 Ų93.167%0.6748%0.482SS*.Hα-helixtrans-62.4-39.2176.3-170174.4-175.2174.80112.3A428 M430 G436A428-K432 VanDerWaalsContact O-CB 3.24Å; A428-K432 WeakPolarHBondContact O-CB 3.15Å; A428-K432 PolarHBondContact O-N 2.79Å; M430-K432 PolarHBondContact O-N 2.95Å; K432-G436 PolarHBondContact O-N 3.35Å; K432-G436 VanDerWaalsContact O-N 3.09Å
433K70.1Confident62Low152 Ų15293.4 Ų93.466%0.66150%0.499SS*.Hα-helixtrans-65-42.4172.7-76.1177.7178.2-178.50111.4Q429 M430 V431 G436 I437Q429-K433 WeakPolarHBondContact O-CG 3.39Å; Q429-K433 PolarHBondContact O-N 2.74Å; M430-K433 WeakPolarHBondContact O-CB 3.44Å; M430-K433 PolarHBondContact O-N 3.41Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 2.99Å; K433-G436 PolarHBondContact O-N 2.69Å; K433-I437 WeakPolarHBondContact O-CD1 3.44Å; K433-I437 WeakPolarHBondContact O-CG1 3.42Å; K433-I437 PolarHBondContact O-N 2.84Å
434M56.9Low59.8Low123 Ų12393 Ų9361%0.60652%0.519SS*.Hα-helixtrans-69.8-40-179.8-163.4169.880.200112.8M430 V431 G436 I437 K438M430-M434 WeakPolarHBondContact O-CB 3.32Å; M430-M434 PolarHBondContact O-N 2.85Å; V431-M434 PolarHBondContact O-N 3.13Å; V431-M434 VanDerWaalsContact O-N 3.16Å; M434-G436 VanDerWaalsContact C-N 3.32Å; M434-G436 PolarHBondContact O-N 3.15Å; M434-I437 PolarHBondContact O-N 2.97Å; M434-I437 VanDerWaalsContact O-N 3.15Å; M434-K438 PolarHBondContact O-N 3.45Å
435G56.9Low57.3Low26 Ų2697.9 Ų97.927%0.26855%0.546SS..Hα-helixtrans-63.8-35.3172.500000112.6V431V431-G435 PolarHBondContact O-N 3.36Å
436G48.3Very low55Low52 Ų52104.3 Ų104.354%0.53657%0.574SS.*Hα-helixtrans-68.2-31.517100000113.8K432 K433 M434K432-G436 PolarHBondContact O-N 3.35Å; K432-G436 VanDerWaalsContact O-N 3.09Å; K433-G436 PolarHBondContact O-N 2.69Å; M434-G436 VanDerWaalsContact C-N 3.32Å; M434-G436 PolarHBondContact O-N 3.15Å
437I43.3Very low53Low97 Ų97102.8 Ų102.850%0.49758%0.58SS.*Hα-helixtrans-78.5-33.5179.2-69.2161.9000111.6K433 M434 G439 L440 F441K433-I437 WeakPolarHBondContact O-CD1 3.44Å; K433-I437 WeakPolarHBondContact O-CG1 3.42Å; K433-I437 PolarHBondContact O-N 2.84Å; M434-I437 PolarHBondContact O-N 2.97Å; M434-I437 VanDerWaalsContact O-N 3.15Å; I437-G439 PolarHBondContact O-N 3.13Å; I437-L440 WeakPolarHBondContact O-CB 3.41Å; I437-L440 PolarHBondContact O-N 3.26Å; I437-F441 HydrophobicContact CG2-CD2 4.17Å; I437-F441 HydrophobicContact CG2-CE2 4.36Å
438K41.4Very low51.2Low144 Ų144106.6 Ų106.663%0.62660%0.596SS**Hα-helixtrans-73.5-12.8178-128.4179.4-175.2179.80113.9M434 L440 F441 K442M434-K438 PolarHBondContact O-N 3.45Å; K438-L440 PolarHBondContact O-N 2.72Å; K438-F441 HydrophobicContact CG-CB 4.48Å; K438-F441 CarbonylContact O-C 3.54Å; K438-F441 PolarHBondContact O-N 3.15Å; K438-K442 PolarHBondContact O-N 2.89Å
439G41.1Very low49.7Very low71 Ų71113.6 Ų113.673%0.73263%0.631SS**THydrogen-bonded Turntrans-61.7-20.8162.300000113.5I437I437-G439 PolarHBondContact O-N 3.13Å
440L39.6Very low48.2Very low133 Ų133112 Ų11270%0.69663%0.629SS**THydrogen-bonded Turntrans-89.8-13.9169.8-86.394.6000113.9I437 K438I437-L440 WeakPolarHBondContact O-CB 3.41Å; I437-L440 PolarHBondContact O-N 3.26Å; K438-L440 PolarHBondContact O-N 2.72Å
441F36.3Very low47.2Very low156 Ų156111.2 Ų111.268%0.68463%0.627SS**  trans-127.420.2-167.4-75.2-78.9000114.7I437 K438I437-F441 HydrophobicContact CG2-CD2 4.17Å; I437-F441 HydrophobicContact CG2-CE2 4.36Å; K438-F441 HydrophobicContact CG-CB 4.48Å; K438-F441 CarbonylContact O-C 3.54Å; K438-F441 PolarHBondContact O-N 3.15Å
442K36.3Very low46.4Very low163 Ų163115.6 Ų115.671%0.70966%0.655SS**  trans-84.8118.2163.6-142.7-177.7-178.9-169.10108.4K438K438-K442 PolarHBondContact O-N 2.89Å
443G38Very low45.9Very low78 Ų78112 Ų11280%0.80465%0.649SS**  trans-61.7160.5-165.900000115.9
444G38.1Very low45.1Very low81 Ų81110.9 Ų110.984%0.83565%0.646SS**SBendtrans119.3-11.7151.800000117.4
445D35Very low44.8Very low108 Ų108108.3 Ų108.358%0.57863%0.634SS**  trans-156.474.2176.5-139.2-13.7000113S447D445-S447 PolarHBondContact O-N 2.96Å; D445-S447 VanDerWaalsContact O-N 3.09Å
446M35.9Very low45Very low186 Ų186109.8 Ų109.892%0.91664%0.644SS**THydrogen-bonded Turntrans-75.818.3172.3-136.8-157.3-69.600112.5
447S41.3Very low45.7Very low96 Ų96114.5 Ų114.567%0.67165%0.649SS**THydrogen-bonded Turntrans-109.5-17.4-174.9179.40000114.5D445D445-S447 PolarHBondContact O-N 2.96Å; D445-S447 VanDerWaalsContact O-N 3.09Å
448K42.4Very low46.2Very low156 Ų156114.1 Ų114.168%0.67865%0.648SS**SBendtrans-122.5-5.8-160.2-84.9-172.1178176.20119.8
449N45.3Very low46.9Very low170 Ų170108.8 Ų108.891%0.90963%0.626SS**  trans-157.957174.4-98.2-24.2000114
450V49Very low48.1Very low80 Ų80111.5 Ų111.549%0.48562%0.62SS.*  trans-88.7111.4169.2-162.20000109M455V450-M455 HydrophobicContact CB-CG 4.36Å; V450-M455 HydrophobicContact CG1-CG 3.29Å; V450-M455 HydrophobicContact CG1-SD 4.16Å
451N53.2Low49.3Very low98 Ų98111 Ų11152%0.52461%0.614SS.*  trans-63.2124178.2-140.3-11.2000109S453 Q454 M455N451-S453 PolarHBondContact O-N 3.01Å; N451-Q454 PolarHBondContact O-N 3.25Å; N451-M455 PolarHBondContact O-N 2.95Å
452P53.2Low50Low104 Ų104108.3 Ų108.368%0.67560%0.604SS**Hα-helixtrans-56.3-28.8-172-27.333.9000114.2A456P452-A456 PolarHBondContact O-N 2.8Å
453S61.7Low51Low77 Ų77101.7 Ų101.754%0.53858%0.581SS.*Hα-helixtrans-72.8-28.1178.557.70000114N451 K457N451-S453 PolarHBondContact O-N 3.01Å; S453-K457 PolarHBondContact O-N 2.98Å
454Q54.8Low52.3Low129 Ų129106.3 Ų106.360%0.60358%0.579SS**Hα-helixtrans-79.2-36.4177-83.7178.5-18.400111.9N451 A456 K457 L458N451-Q454 PolarHBondContact O-N 3.25Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; Q454-K457 PolarHBondContact O-N 2.94Å; Q454-L458 WeakPolarHBondContact O-CB 3.27Å; Q454-L458 PolarHBondContact O-N 3.17Å
455M49.8Very low53.1Low69 Ų69110.4 Ų110.434%0.3458%0.578SS.*Hα-helixtrans-64.7-37.4172.3-83.6-73.6-86.100112.2V450 N451 L458 N459V450-M455 HydrophobicContact CB-CG 4.36Å; V450-M455 HydrophobicContact CG1-CG 3.29Å; V450-M455 HydrophobicContact CG1-SD 4.16Å; N451-M455 PolarHBondContact O-N 2.95Å; M455-L458 PolarHBondContact O-N 3.3Å; M455-L458 HydrophobicContact SD-CD2 4.49Å; M455-N459 WeakPolarHBondContact O-CB 3.49Å; M455-N459 PolarHBondContact O-N 3.14Å
456A60.7Low54Low58 Ų58108.1 Ų108.148%0.47956%0.564SS.*Hα-helixtrans-62.5-42.8174.900000112P452 Q454 Q460P452-A456 PolarHBondContact O-N 2.8Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; A456-Q460 WeakPolarHBondContact O-CB 3.46Å; A456-Q460 PolarHBondContact O-N 3.23Å
457K64.2Low55Low151 Ų151103.6 Ų103.666%0.65754%0.544SS*.Hα-helixtrans-67.5-39.8176.1-88.7-178.3175.2176.90112.8S453 Q454 Q460 Q461S453-K457 PolarHBondContact O-N 2.98Å; Q454-K457 PolarHBondContact O-N 2.94Å; K457-Q460 PolarHBondContact O-N 3.44Å; K457-Q461 PolarHBondContact O-N 3.01Å
458L53.4Low55.8Low89 Ų89103.9 Ų103.947%0.46654%0.544SS..Hα-helixtrans-64.8-45.7177.5-16969.5000110.8Q454 M455 Q460 Q461 M462Q454-L458 WeakPolarHBondContact O-CB 3.27Å; Q454-L458 PolarHBondContact O-N 3.17Å; M455-L458 PolarHBondContact O-N 3.3Å; M455-L458 HydrophobicContact SD-CD2 4.49Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 3.17Å; L458-Q461 PolarHBondContact O-N 3.12Å; L458-M462 WeakPolarHBondContact O-CB 3.3Å; L458-M462 PolarHBondContact O-N 2.7Å
459N56.5Low56.7Low32 Ų32106.3 Ų106.317%0.17155%0.548CS..Hα-helixtrans-62.5-37.1174.8-85.10.8000112.5M455 M462 A463M455-N459 WeakPolarHBondContact O-CB 3.49Å; M455-N459 PolarHBondContact O-N 3.14Å; N459-M462 PolarHBondContact O-N 3.41Å; N459-A463 VanDerWaalsContact O-CB 3.3Å; N459-A463 WeakPolarHBondContact O-CB 3.42Å; N459-A463 PolarHBondContact O-N 2.77Å
460Q66.1Low57.5Low127 Ų127101.4 Ų101.459%0.59353%0.525SS*.Hα-helixtrans-67.4-36.2175.7-116.4-179.23.300113.1A456 K457 L458 K464A456-Q460 WeakPolarHBondContact O-CB 3.46Å; A456-Q460 PolarHBondContact O-N 3.23Å; K457-Q460 PolarHBondContact O-N 3.44Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 3.17Å; Q460-K464 WeakPolarHBondContact O-CG 3.05Å; Q460-K464 PolarHBondContact O-N 3.23Å
461Q63.3Low57.8Low124 Ų12499.5 Ų99.558%0.57951%0.511SS*.Hα-helixtrans-73.8-38.2175.4-82.3-177.1-36.200111.9K457 L458 K464 M465K457-Q461 PolarHBondContact O-N 3.01Å; L458-Q461 PolarHBondContact O-N 3.12Å; Q461-K464 PolarHBondContact O-N 3.41Å; Q461-M465 PolarHBondContact O-N 3.39Å
462M51.2Low58.2Low98 Ų98102.6 Ų102.648%0.48352%0.522SS..Hα-helixtrans-65.9-41.2177.5-138.4175.5-173.600111.5L458 N459 K464 M465 M466 M484L458-M462 WeakPolarHBondContact O-CB 3.3Å; L458-M462 PolarHBondContact O-N 2.7Å; N459-M462 PolarHBondContact O-N 3.41Å; M462-K464 PolarHBondContact O-N 3.02Å; M462-M465 PolarHBondContact O-N 3.15Å; M462-M465 VanDerWaalsContact O-N 3.15Å; M462-M466 PolarHBondContact O-N 3.38Å; M462-M484 HydrophobicContact SD-CE 4.43Å
463A57.3Low58.6Low25 Ų25106.1 Ų106.121%0.20753%0.53CS..Hα-helixtrans-63.8-26.7174.600000113.4N459 M477N459-A463 VanDerWaalsContact O-CB 3.3Å; N459-A463 WeakPolarHBondContact O-CB 3.42Å; N459-A463 PolarHBondContact O-N 2.77Å; A463-M477 HydrophobicContact CB-SD 3.9Å
464K65.1Low58.2Low175 Ų175105 Ų10576%0.76152%0.517SS*.Hα-helixtrans-82.8-18.7175.9-75.6-179.9179.1-1750113.8Q460 Q461 M462Q460-K464 WeakPolarHBondContact O-CG 3.05Å; Q460-K464 PolarHBondContact O-N 3.23Å; Q461-K464 PolarHBondContact O-N 3.41Å; M462-K464 PolarHBondContact O-N 3.02Å
465M54.7Low58.9Low167 Ų167101.5 Ų101.582%0.82351%0.514SS*.Hα-helixtrans-95.7-10.9178.2-72.2-173.2-176.800113.3Q461 M462Q461-M465 PolarHBondContact O-N 3.39Å; M462-M465 PolarHBondContact O-N 3.15Å; M462-M465 VanDerWaalsContact O-N 3.15Å
466M54.6Low59.8Low59 Ų5999.2 Ų99.229%0.29151%0.509SS..SBendtrans-89.3138.7175.1-73.2-173.477.700111.4M462 V470 L471 M474 L480M462-M466 PolarHBondContact O-N 3.38Å; M466-V470 HydrophobicContact CE-CG1 3.65Å; M466-L471 HydrophobicContact CB-CD1 4.09Å; M466-L471 HydrophobicContact SD-CD1 4.49Å; M466-M474 HydrophobicContact CE-SD 3.87Å; M466-L480 HydrophobicContact SD-CD1 4.05Å
467D57.6Low59.5Low92 Ų92101.1 Ų101.149%0.49251%0.509SS..  trans-57.4130175.4-170.4-48.1000110.2R469 V470 L471D467-R469 PolarHBondContact O-N 2.84Å; D467-R469 PolarHBondContact OD1-N 3.27Å; D467-V470 HydrophobicContact CB-CB 4.43Å; D467-V470 HydrophobicContact CB-CG2 4Å; D467-V470 PolarHBondContact O-N 2.96Å; D467-L471 PolarHBondContact O-N 2.91Å; D467-L471 VanDerWaalsContact O-N 3.11Å
468P56.9Low59.2Low102 Ų10297.3 Ų97.366%0.66251%0.506SS*.Hα-helixtrans-53.3-29.1-179-26.333000114.2H472P468-H472 PolarHBondContact O-N 2.93Å; P468-H472 VanDerWaalsContact O-N 3.16Å
469R61.4Low59.9Low206 Ų20693.8 Ų93.878%0.77749%0.491SS*.Hα-helixtrans-73.2-37178.5-65.9-179.7177.8-178.80.1112.2D467 H472 H473D467-R469 PolarHBondContact O-N 2.84Å; D467-R469 PolarHBondContact OD1-N 3.27Å; R469-H472 PolarHBondContact O-N 3.48Å; R469-H473 WeakPolarHBondContact O-CB 3.17Å; R469-H473 PolarHBondContact O-N 3.19Å
470V61.9Low60Low68 Ų6893.3 Ų93.341%0.41249%0.489SS..Hα-helixtrans-69.1-39.7175.9179.50000110M466 D467 H472 H473 M474M466-V470 HydrophobicContact CE-CG1 3.65Å; D467-V470 HydrophobicContact CB-CB 4.43Å; D467-V470 HydrophobicContact CB-CG2 4Å; D467-V470 PolarHBondContact O-N 2.96Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 3.31Å; V470-H473 PolarHBondContact O-N 3.41Å; V470-M474 HydrophobicContact CG1-SD 4.03Å; V470-M474 WeakPolarHBondContact O-CB 3.49Å; V470-M474 WeakPolarHBondContact O-CG 3.43Å; V470-M474 PolarHBondContact O-N 3.23Å
471L56.4Low59.5Low39 Ų3993.1 Ų93.120%0.20449%0.487CS..Hα-helixtrans-62-38.1176.4-146.594.5000112M466 D467 M474 G476M466-L471 HydrophobicContact CB-CD1 4.09Å; M466-L471 HydrophobicContact SD-CD1 4.49Å; D467-L471 PolarHBondContact O-N 2.91Å; D467-L471 VanDerWaalsContact O-N 3.11Å; L471-M474 PolarHBondContact O-N 2.99Å; L471-G476 WeakPolarHBondContact O-CA 3.24Å; L471-G476 PolarHBondContact O-N 3.17Å
472H62.3Low59.5Low163 Ų16390.4 Ų90.476%0.75548%0.483SS*.Hα-helixtrans-71.2-39177.2-132.9-59.2000112.3P468 R469 V470 M474 G475P468-H472 PolarHBondContact O-N 2.93Å; P468-H472 VanDerWaalsContact O-N 3.16Å; R469-H472 PolarHBondContact O-N 3.48Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 3.31Å; H472-M474 PolarHBondContact O-N 3.06Å; H472-G475 PolarHBondContact O-N 2.67Å
473H61.4Low59.8Low179 Ų17990.3 Ų90.383%0.82948%0.482SS*.Hα-helixtrans-69.1-22.7177.4-139-67.8000112.9R469 V470R469-H473 WeakPolarHBondContact O-CB 3.17Å; R469-H473 PolarHBondContact O-N 3.19Å; V470-H473 PolarHBondContact O-N 3.41Å
474M53.7Low59.7Low54 Ų5492.4 Ų92.427%0.26649%0.488SS..THydrogen-bonded Turntrans-93.78.7176.1-72.1-17866.400113.9M466 V470 L471 H472 G479 L480 M483M466-M474 HydrophobicContact CE-SD 3.87Å; V470-M474 HydrophobicContact CG1-SD 4.03Å; V470-M474 WeakPolarHBondContact O-CB 3.49Å; V470-M474 WeakPolarHBondContact O-CG 3.43Å; V470-M474 PolarHBondContact O-N 3.23Å; L471-M474 PolarHBondContact O-N 2.99Å; H472-M474 PolarHBondContact O-N 3.06Å; M474-G479 VanDerWaalsContact O-CA 3.26Å; M474-G479 WeakPolarHBondContact O-CA 3.37Å; M474-L480 HydrophobicContact CE-CD1 3.94Å; M474-M483 HydrophobicContact CE-CE 3.47Å; M474-M483 VanDerWaalsContact CE-CE 3.47Å; M474-M483 HydrophobicContact CE-SD 3.43Å; M474-M483 WeakPolarHBondContact CE-SD 3.49Å
475G68.9Low59.5Low54 Ų5492.4 Ų92.456%0.55748%0.483SS*.THydrogen-bonded Turntrans7925.6177.100000114.8H472 G479H472-G475 PolarHBondContact O-N 2.67Å; G475-G479 PolarHBondContact O-N 2.97Å
476G68.4Low59.6Low22 Ų2291.2 Ų91.223%0.22748%0.476CS..Hα-helixtrans67-160.8178.400000113.6L471 A478 G479 L480L471-G476 WeakPolarHBondContact O-CA 3.24Å; L471-G476 PolarHBondContact O-N 3.17Å; G476-A478 PolarHBondContact O-N 2.78Å; G476-A478 VanDerWaalsContact O-N 3.16Å; G476-G479 PolarHBondContact O-N 3.28Å; G476-G479 VanDerWaalsContact O-N 3.13Å; G476-L480 PolarHBondContact O-N 3.25Å
477M54.4Low59.3Low97 Ų9796.2 Ų96.248%0.47850%0.496SS..Hα-helixtrans-58.9-28.8-178.3-77.8-66.5-68.900113.5A463 Q481A463-M477 HydrophobicContact CB-SD 3.9Å; M477-Q481 WeakPolarHBondContact O-CB 3.33Å; M477-Q481 PolarHBondContact O-N 3Å
478A58.5Low58.9Low72 Ų7298.7 Ų98.760%0.59551%0.505SS*.Hα-helixtrans-71.2-38.117800000112.4G476 Q481 S482G476-A478 PolarHBondContact O-N 2.78Å; G476-A478 VanDerWaalsContact O-N 3.16Å; A478-Q481 PolarHBondContact O-N 2.72Å; A478-S482 PolarHBondContact O-N 3.26Å
479G66.6Low58.5Low15 Ų15101 Ų10116%0.15551%0.507CS..Hα-helixtrans-76.8-27.917800000114.1M474 G475 G476 Q481 S482 M483M474-G479 VanDerWaalsContact O-CA 3.26Å; M474-G479 WeakPolarHBondContact O-CA 3.37Å; G475-G479 PolarHBondContact O-N 2.97Å; G476-G479 PolarHBondContact O-N 3.28Å; G476-G479 VanDerWaalsContact O-N 3.13Å; G479-Q481 VanDerWaalsContact C-N 3.29Å; G479-S482 WeakPolarHBondContact CA-OG 3.48Å; G479-S482 PolarHBondContact O-OG 3.49Å; G479-M483 WeakPolarHBondContact O-CB 3.38Å; G479-M483 PolarHBondContact O-N 2.91Å
480L58.9Low57.4Low22 Ų2293.4 Ų93.412%0.11549%0.493CS..Hα-helixtrans-65-37.1168-158.382.3000111.2M466 M474 G476 M484M466-L480 HydrophobicContact SD-CD1 4.05Å; M474-L480 HydrophobicContact CE-CD1 3.94Å; G476-L480 PolarHBondContact O-N 3.25Å; L480-M484 PolarHBondContact O-N 2.94Å
481Q56.2Low56.4Low122 Ų12293.2 Ų93.257%0.5750%0.498SS*.Hα-helixtrans-74.6-34.1-179.3-158.4170.415.200112.6M477 A478 G479 R485M477-Q481 WeakPolarHBondContact O-CB 3.33Å; M477-Q481 PolarHBondContact O-N 3Å; A478-Q481 PolarHBondContact O-N 2.72Å; G479-Q481 VanDerWaalsContact C-N 3.29Å; Q481-R485 PolarHBondContact O-N 3.27Å; Q481-R485 VanDerWaalsContact O-N 3.16Å
482S62.4Low55.7Low68 Ų6894.7 Ų94.748%0.47652%0.516SS..Hα-helixtrans-69.8-40.7171.664.60000111.8A478 G479 R485 Q486A478-S482 PolarHBondContact O-N 3.26Å; G479-S482 WeakPolarHBondContact CA-OG 3.48Å; G479-S482 PolarHBondContact O-OG 3.49Å; S482-R485 PolarHBondContact O-N 3.44Å; S482-Q486 WeakPolarHBondContact O-CB 3.23Å; S482-Q486 PolarHBondContact O-N 3.41Å
483M58Low54.5Low95 Ų9589.4 Ų89.447%0.46851%0.506SS..Hα-helixtrans-62.7-43.1175.1-175.2-176.5-88.800111.8M474 G479 R485 Q486 F487M474-M483 HydrophobicContact CE-CE 3.47Å; M474-M483 VanDerWaalsContact CE-CE 3.47Å; M474-M483 HydrophobicContact CE-SD 3.43Å; M474-M483 WeakPolarHBondContact CE-SD 3.49Å; G479-M483 WeakPolarHBondContact O-CB 3.38Å; G479-M483 PolarHBondContact O-N 2.91Å; M483-R485 PolarHBondContact O-N 3.47Å; M483-Q486 PolarHBondContact O-N 2.95Å; M483-F487 PolarHBondContact O-N 3.48Å
484M55Low53.4Low69 Ų6987.6 Ų87.634%0.3450%0.502SS..Hα-helixtrans-62.6-40175.2-92.9-160.5178.200112.7M462 L480 Q486 F487 Q488M462-M484 HydrophobicContact SD-CE 4.43Å; L480-M484 PolarHBondContact O-N 2.94Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.2Å; M484-F487 PolarHBondContact O-N 3.02Å; M484-Q488 PolarHBondContact O-N 3.08Å
485R60.9Low52.5Low175 Ų17592.3 Ų92.366%0.6653%0.525SS*.Hα-helixtrans-62.1-40.2174-86.5-175.9175.3178.7-0.2111.9Q481 S482 M483 Q488 Q489Q481-R485 PolarHBondContact O-N 3.27Å; Q481-R485 VanDerWaalsContact O-N 3.16Å; S482-R485 PolarHBondContact O-N 3.44Å; M483-R485 PolarHBondContact O-N 3.47Å; R485-Q488 PolarHBondContact O-N 3.48Å; R485-Q489 WeakPolarHBondContact O-CG 3.31Å; R485-Q489 PolarHBondContact O-N 3Å
486Q57Low51Low143 Ų14398.6 Ų98.667%0.66854%0.537SS*.Hα-helixtrans-69.1-36.3178.7-157.7173.61100111.7S482 M483 M484 Q489 G490S482-Q486 WeakPolarHBondContact O-CB 3.23Å; S482-Q486 PolarHBondContact O-N 3.41Å; M483-Q486 PolarHBondContact O-N 2.95Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.2Å; Q486-Q489 PolarHBondContact O-N 3.27Å; Q486-G490 PolarHBondContact O-N 2.91Å
487F48.6Very low49.4Very low164 Ų164100.6 Ų100.672%0.71956%0.558SS**Hα-helixtrans-66.9-39.8173.6-130.3-89.2000112.2M483 M484 G490 A491M483-F487 PolarHBondContact O-N 3.48Å; M484-F487 PolarHBondContact O-N 3.02Å; F487-G490 PolarHBondContact O-N 3.24Å; F487-A491 WeakPolarHBondContact O-CB 3.3Å; F487-A491 PolarHBondContact O-N 3.43Å; F487-A491 VanDerWaalsContact O-N 3.12Å
488Q48.5Very low48.6Very low144 Ų144104.4 Ų104.467%0.67358%0.577SS**Hα-helixtrans-64.9-38.7174.7-112178.5-700112.5M484 R485M484-Q488 PolarHBondContact O-N 3.08Å; R485-Q488 PolarHBondContact O-N 3.48Å
489Q49Very low47.6Very low150 Ų150109.4 Ų109.470%0.70159%0.59SS**Hα-helixtrans-74.9-36.3177-75.1179.1-5.500112.6R485 Q486 A492 G493R485-Q489 WeakPolarHBondContact O-CG 3.31Å; R485-Q489 PolarHBondContact O-N 3Å; Q486-Q489 PolarHBondContact O-N 3.27Å; Q489-A492 PolarHBondContact O-N 3.06Å; Q489-G493 PolarHBondContact O-N 3.38Å
490G39Very low46.3Very low47 Ų47111.5 Ų111.549%0.48561%0.612SS.*Hα-helixtrans-67.1-34177.100000113.8Q486 F487 A492Q486-G490 PolarHBondContact O-N 2.91Å; F487-G490 PolarHBondContact O-N 3.24Å; G490-A492 VanDerWaalsContact C-N 3.34Å; G490-A492 PolarHBondContact O-N 3.47Å
491A40.8Very low45.3Very low64 Ų64120.2 Ų120.253%0.52965%0.649SS.*Hα-helixtrans-70.1-28.2176.500000113.3F487F487-A491 WeakPolarHBondContact O-CB 3.3Å; F487-A491 PolarHBondContact O-N 3.43Å; F487-A491 VanDerWaalsContact O-N 3.12Å
492A40.7Very low44.3Very low70 Ų70121.9 Ų121.958%0.57966%0.662SS**Hα-helixtrans-79.2-29.817800000113.2Q489 G490Q489-A492 PolarHBondContact O-N 3.06Å; G490-A492 VanDerWaalsContact C-N 3.34Å; G490-A492 PolarHBondContact O-N 3.47Å
493G38.1Very low43.1Very low52 Ų52126.5 Ų126.554%0.53668%0.681SS.*Hα-helixtrans-72.6-37.9179.900000113.8Q489 M495Q489-G493 PolarHBondContact O-N 3.38Å; G493-M495 VanDerWaalsContact C-N 3.33Å; G493-M495 PolarHBondContact O-N 3.12Å
494N37.8Very low41.9Very low141 Ų141134.9 Ų134.975%0.75472%0.722SS**Hα-helixtrans-77-16.5-176.2-112.49.3000114.2
495M34.8Very low41.3Very low152 Ų152138.2 Ų138.275%0.74974%0.741SS**Hα-helixtrans-83.5-19.4179.6-153.8177.6-86.500112.8G493G493-M495 VanDerWaalsContact C-N 3.33Å; G493-M495 PolarHBondContact O-N 3.12Å
496K36.8Very low40.2Very low186 Ų186136.2 Ų136.281%0.80975%0.746SS**Hα-helixtrans-82.4-26.2175.5-105.8-174.3175.9-176.10114M498K496-M498 VanDerWaalsContact C-N 3.33Å
497G35.6Very low39.3Very low64 Ų64135.8 Ų135.866%0.6675%0.75SS**THydrogen-bonded Turntrans-75.7-17.918000000114.6
498M36.3Very low38.7Very low177 Ų177134.2 Ų134.287%0.87275%0.752SS**THydrogen-bonded Turntrans-99.5-4.5-171.4-136.6174.3171.900114.3K496K496-M498 VanDerWaalsContact C-N 3.33Å
499M38.8Very low38.1Very low178 Ų178133.6 Ų133.688%0.87776%0.757SS**SBendtrans-102.49.7175.5-78.6-153.1-177.700114.2
500G38.3Very low37.4Very low59 Ų59132.5 Ų132.561%0.60876%0.761SS**SBendtrans-97.1-2.6-173.200000117.3
501F38Very low37.3Very low204 Ų204138.6 Ų138.690%0.89578%0.78SS**  trans-122.372.2-179.7-85.5-84.8000110.8
502N36.4Very low37Very low158 Ų158144.3 Ų144.385%0.84580%0.8SS**  trans-159.770.5156.9-1199.5000108.3
503N36.6Very low36.7Very low164 Ų164150.5 Ų150.588%0.87782%0.818SS**  trans-172.482.1155.5-103.8-2.9000108.9
504M33.1Very low36.6Very low271 Ų271159.5 Ų159.5100%1.33584%0.844SS**  trans-169.30139.8-102.1-179.3-157.700108.8

Retrieved 504 of 504 residues in 1629.9 ms (Link to these results)

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