A0A060WGZ4_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 A0A060WGZ4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 504 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.8Very low70.3Confident122 Ų12252.8 Ų52.860%0.60127%0.265SS*.  0132.80-67.7178.883.200108.9L3 A4 D5 L250M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.46Å; M1-A4 HydrophobicContact CB-CB 4.36Å; M1-A4 WeakPolarHBondContact O-CA 3.2Å; M1-A4 WeakPolarHBondContact O-CB 2.9Å; M1-A4 PolarHBondContact O-N 3.18Å; M1-D5 PolarHBondContact O-N 3.34Å; M1-L250 VanDerWaalsContact CE-O 3.31Å; M1-L250 WeakPolarHBondContact CE-O 3.34Å
2V53.1Low71.4Confident22 Ų2254.6 Ų54.613%0.13329%0.286CS..Hα-helixtrans-74.5-24.8-172.2175.80000113.5A4 D5 L6 H253 A254 K255V2-A4 PolarHBondContact O-N 3.06Å; V2-D5 WeakPolarHBondContact O-CB 3.09Å; V2-D5 PolarHBondContact O-N 3.34Å; V2-L6 PolarHBondContact O-N 3.31Å; V2-H253 VanDerWaalsContact CG2-C 3.48Å; V2-H253 HydrophobicContact CG2-CB 4.12Å; V2-H253 WeakPolarHBondContact CG2-O 3.42Å; V2-A254 WeakPolarHBondContact CB-O 3.45Å; V2-K255 HydrophobicContact CG1-CB 3.98Å; V2-K255 HydrophobicContact CG1-CG 3.54Å
3L61.8Low72.3Confident28 Ų2850.5 Ų50.515%0.14727%0.265CS..Hα-helixtrans-59.4-33.5164.4-72.6174000112.1M1 D5 G7 L250 F290 L294M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.46Å; L3-D5 VanDerWaalsContact C-N 3.3Å; L3-D5 PolarHBondContact O-N 3.38Å; L3-G7 PolarHBondContact O-N 2.86Å; L3-L250 HydrophobicContact CD1-CD2 3.87Å; L3-F290 HydrophobicContact CD1-CE2 3.57Å; L3-F290 HydrophobicContact CD1-CZ 3.62Å; L3-F290 HydrophobicContact CD2-CZ 3.86Å; L3-F290 HydrophobicContact CG-CZ 4.41Å; L3-L294 HydrophobicContact CB-CD1 4.37Å; L3-L294 HydrophobicContact CD2-CD1 4.22Å; L3-L294 WeakPolarHBondContact O-CD1 3.25Å
4A65.6Low72.7Confident51 Ų5147.6 Ų47.642%0.42125%0.25SS..Hα-helixtrans-68.9-31173.800000111.6M1 V2 R8M1-A4 HydrophobicContact CB-CB 4.36Å; M1-A4 WeakPolarHBondContact O-CA 3.2Å; M1-A4 WeakPolarHBondContact O-CB 2.9Å; M1-A4 PolarHBondContact O-N 3.18Å; V2-A4 PolarHBondContact O-N 3.06Å; A4-R8 WeakPolarHBondContact O-CB 3.21Å; A4-R8 WeakPolarHBondContact O-CG 3.22Å; A4-R8 PolarHBondContact O-N 2.92Å
5D71.6Confident73.1Confident61 Ų6155.5 Ų55.533%0.32628%0.275SS..Hα-helixtrans-73.7-45.3177.8-67.2-2.1000111.9M1 V2 L3 G7 R8 K9M1-D5 PolarHBondContact O-N 3.34Å; V2-D5 WeakPolarHBondContact O-CB 3.09Å; V2-D5 PolarHBondContact O-N 3.34Å; L3-D5 VanDerWaalsContact C-N 3.3Å; L3-D5 PolarHBondContact O-N 3.38Å; D5-G7 VanDerWaalsContact C-N 3.27Å; D5-G7 PolarHBondContact O-N 3.46Å; D5-R8 PolarHBondContact O-N 3.37Å; D5-R8 IonicContact OD1-CZ 3.85Å; D5-R8 IonicContact OD1-NE 2.55Å; D5-R8 PolarHBondContact OD1-NE 2.9Å; D5-R8 IonicContact OD1-NH2 3.13Å; D5-R8 PolarHBondContact OD1-NH2 2.9Å; D5-R8 IonicContact OD2-NH2 3.16Å; D5-K9 WeakPolarHBondContact O-CG 3.36Å; D5-K9 PolarHBondContact O-N 3.41Å
6L75.1Confident73.3Confident13 Ų1355.3 Ų55.37%0.06828%0.281CS..Hα-helixtrans-56.3-47.6170.2175.459.2000110.1V2 R8 K9 I10 A38 L39 A42 L294V2-L6 PolarHBondContact O-N 3.31Å; L6-R8 PolarHBondContact O-N 2.73Å; L6-K9 PolarHBondContact O-N 3.02Å; L6-I10 HydrophobicContact CD1-CD1 3.73Å; L6-I10 HydrophobicContact CD1-CG1 4.11Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 2.94Å; L6-A38 HydrophobicContact CD1-CB 3.92Å; L6-A38 WeakPolarHBondContact CD1-O 3.42Å; L6-L39 HydrophobicContact CD1-CD2 4.31Å; L6-L39 HydrophobicContact CD2-CD2 4.47Å; L6-A42 HydrophobicContact CD1-CB 3.91Å; L6-A42 HydrophobicContact CD2-CB 3.8Å; L6-A42 HydrophobicContact CG-CB 4.29Å; L6-L294 HydrophobicContact CB-CD1 4.19Å; L6-L294 HydrophobicContact CD2-CD1 4.03Å; L6-L294 HydrophobicContact CD2-CD2 4.18Å; L6-L294 HydrophobicContact CG-CD1 4.03Å
7G75.8Confident73.5Confident4 Ų452.1 Ų52.14%0.04126%0.264CS..Hα-helixtrans-59.2-44.9177.200000113.3L3 D5 K9 I10 T11 L294L3-G7 PolarHBondContact O-N 2.86Å; D5-G7 VanDerWaalsContact C-N 3.27Å; D5-G7 PolarHBondContact O-N 3.46Å; G7-K9 PolarHBondContact O-N 3.46Å; G7-I10 PolarHBondContact O-N 2.88Å; G7-T11 WeakPolarHBondContact O-CB 3.4Å; G7-T11 PolarHBondContact O-N 3.42Å; G7-T11 PolarHBondContact O-OG1 2.81Å; G7-L294 CarbonylContact C-O 3.48Å; G7-L294 WeakPolarHBondContact CA-O 3.39Å
8R78.7Confident73.3Confident147 Ų14751.6 Ų51.656%0.55527%0.266SS*.Hα-helixtrans-60.5-43.6175.1-79.3-172.3-61.4162.5-0.6112.1A4 D5 L6 T11 S12A4-R8 WeakPolarHBondContact O-CB 3.21Å; A4-R8 WeakPolarHBondContact O-CG 3.22Å; A4-R8 PolarHBondContact O-N 2.92Å; D5-R8 PolarHBondContact O-N 3.37Å; D5-R8 IonicContact OD1-CZ 3.85Å; D5-R8 IonicContact OD1-NE 2.55Å; D5-R8 PolarHBondContact OD1-NE 2.9Å; D5-R8 IonicContact OD1-NH2 3.13Å; D5-R8 PolarHBondContact OD1-NH2 2.9Å; D5-R8 IonicContact OD2-NH2 3.16Å; L6-R8 PolarHBondContact O-N 2.73Å; R8-T11 PolarHBondContact O-N 3.05Å; R8-S12 VanDerWaalsContact O-CB 3.27Å; R8-S12 WeakPolarHBondContact O-CB 3.44Å; R8-S12 PolarHBondContact O-N 3.44Å
9K82.7Confident73.4Confident107 Ų10755.9 Ų55.947%0.46529%0.29SS..Hα-helixtrans-64.6-47178.2-74.3-179.2176.2-179.40111.8D5 L6 G7 S12 A13 A38 E41D5-K9 WeakPolarHBondContact O-CG 3.36Å; D5-K9 PolarHBondContact O-N 3.41Å; L6-K9 PolarHBondContact O-N 3.02Å; G7-K9 PolarHBondContact O-N 3.46Å; K9-S12 WeakPolarHBondContact O-CB 3.33Å; K9-S12 PolarHBondContact O-N 3.44Å; K9-A13 PolarHBondContact O-N 3.46Å; K9-A38 HydrophobicContact CB-CB 3.82Å; K9-A38 HydrophobicContact CD-CB 4.28Å; K9-E41 IonicContact NZ-OE1 3.72Å; K9-E41 IonicContact NZ-OE2 3.62Å; K9-E41 PolarHBondContact NZ-OE2 3.05Å
10I80.4Confident73.5Confident0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-63.9-44.4176.6-62.1171.4000110.3L6 G7 S12 A13 L14 V35 A38 L39 L294 L295L6-I10 HydrophobicContact CD1-CD1 3.73Å; L6-I10 HydrophobicContact CD1-CG1 4.11Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 2.94Å; G7-I10 PolarHBondContact O-N 2.88Å; I10-S12 VanDerWaalsContact C-N 3.29Å; I10-S12 PolarHBondContact O-N 3.01Å; I10-A13 PolarHBondContact O-N 2.96Å; I10-L14 HydrophobicContact CG2-CD1 4.14Å; I10-L14 HydrophobicContact CG2-CG 4.31Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.48Å; I10-V35 HydrophobicContact CG1-CG1 4.43Å; I10-V35 HydrophobicContact CG2-CG2 4.27Å; I10-A38 HydrophobicContact CG1-CB 4.34Å; I10-L39 HydrophobicContact CD1-CD2 4.32Å; I10-L294 HydrophobicContact CD1-CD2 4.47Å; I10-L295 HydrophobicContact CB-CD2 4.2Å; I10-L295 HydrophobicContact CG2-CD2 3.34Å
11T80Confident73.4Confident26 Ų2658.2 Ų58.216%0.1631%0.312CS..Hα-helixtrans-61-39.5177-56.10000111.3G7 R8 L14 R15 L295G7-T11 WeakPolarHBondContact O-CB 3.4Å; G7-T11 PolarHBondContact O-N 3.42Å; G7-T11 PolarHBondContact O-OG1 2.81Å; R8-T11 PolarHBondContact O-N 3.05Å; T11-L14 PolarHBondContact O-N 2.91Å; T11-R15 HydrophobicContact CG2-CG 4.5Å; T11-R15 WeakPolarHBondContact O-CB 3.41Å; T11-R15 VanDerWaalsContact O-CG 3.3Å; T11-R15 WeakPolarHBondContact O-CG 3.33Å; T11-R15 PolarHBondContact O-N 3.43Å; T11-L295 PolarHBondContact OG1-O 2.69Å; T11-L295 VanDerWaalsContact OG1-O 3.1Å
12S83.4Confident74.7Confident74 Ų7458.8 Ų58.852%0.51732%0.316SS..Hα-helixtrans-63.2-44.2175.1-1720000111.7R8 K9 I10 L14 R15 S16R8-S12 VanDerWaalsContact O-CB 3.27Å; R8-S12 WeakPolarHBondContact O-CB 3.44Å; R8-S12 PolarHBondContact O-N 3.44Å; K9-S12 WeakPolarHBondContact O-CB 3.33Å; K9-S12 PolarHBondContact O-N 3.44Å; I10-S12 VanDerWaalsContact C-N 3.29Å; I10-S12 PolarHBondContact O-N 3.01Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.4Å; S12-R15 PolarHBondContact O-N 3.04Å; S12-S16 PolarHBondContact O-N 2.91Å
13A82.8Confident75.8Confident1 Ų158.9 Ų58.91%0.00832%0.315CS..Hα-helixtrans-64.1-37.4175.100000112.1K9 I10 R15 S16 L17 M31 E34 V35K9-A13 PolarHBondContact O-N 3.46Å; I10-A13 PolarHBondContact O-N 2.96Å; A13-R15 VanDerWaalsContact C-N 3.35Å; A13-S16 PolarHBondContact O-OG 3Å; A13-L17 PolarHBondContact O-N 2.74Å; A13-M31 HydrophobicContact CB-CG 4.34Å; A13-M31 WeakPolarHBondContact O-CG 3.47Å; A13-E34 HydrophobicContact CB-CB 3.87Å; A13-E34 WeakPolarHBondContact CB-OE2 3.37Å; A13-V35 HydrophobicContact CB-CG2 3.87Å
14L78.2Confident76.7Confident11 Ų1160.5 Ų60.56%0.05832%0.324CS..Hα-helixtrans-71.6-29.9174.3-66.1179.6000112.4I10 T11 S12 S18 M31 Q76 L295I10-L14 HydrophobicContact CG2-CD1 4.14Å; I10-L14 HydrophobicContact CG2-CG 4.31Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.48Å; T11-L14 PolarHBondContact O-N 2.91Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.4Å; L14-S18 PolarHBondContact O-N 3.3Å; L14-M31 HydrophobicContact CD2-SD 4.05Å; L14-Q76 HydrophobicContact CB-CG 4.49Å; L14-Q76 HydrophobicContact CD1-CG 4.48Å; L14-Q76 HydrophobicContact CD2-CG 4.1Å; L14-L295 HydrophobicContact CD1-CD1 4.5Å; L14-L295 HydrophobicContact CD1-CD2 4.21Å
15R78.6Confident77.5Confident165 Ų16562.7 Ų62.762%0.62333%0.326SS*.Hα-helixtrans-73.4-36.6174-79.1179-176.9-173.12.4112.2T11 S12 A13 L17 S18 N19T11-R15 HydrophobicContact CG2-CG 4.5Å; T11-R15 WeakPolarHBondContact O-CB 3.41Å; T11-R15 VanDerWaalsContact O-CG 3.3Å; T11-R15 WeakPolarHBondContact O-CG 3.33Å; T11-R15 PolarHBondContact O-N 3.43Å; S12-R15 PolarHBondContact O-N 3.04Å; A13-R15 VanDerWaalsContact C-N 3.35Å; R15-L17 PolarHBondContact O-N 2.96Å; R15-S18 WeakPolarHBondContact CA-OG 2.95Å; R15-S18 WeakPolarHBondContact O-CA 3.47Å; R15-S18 WeakPolarHBondContact O-CB 3.31Å; R15-S18 PolarHBondContact O-N 2.91Å; R15-S18 PolarHBondContact O-OG 3.46Å; R15-N19 PolarHBondContact O-N 3.47Å; R15-N19 VanDerWaalsContact O-N 3.12Å
16S76.4Confident78.1Confident53 Ų5366.9 Ų66.937%0.37134%0.343SS..Hα-helixtrans-59.9-38.8175.669.30000110.9S12 A13 S18 N19 A20S12-S16 PolarHBondContact O-N 2.91Å; A13-S16 PolarHBondContact O-OG 3Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.37Å; S16-N19 PolarHBondContact O-N 3.49Å; S16-A20 PolarHBondContact O-N 3.03Å
17L76Confident78.6Confident0 Ų068.3 Ų68.30%035%0.352CS..Hα-helixtrans-65-31.1172-166.8131.2000113.3A13 R15 N19 I23 V27 M31 R72 I75A13-L17 PolarHBondContact O-N 2.74Å; R15-L17 PolarHBondContact O-N 2.96Å; L17-N19 VanDerWaalsContact C-N 3.33Å; L17-I23 HydrophobicContact CD2-CD1 4.4Å; L17-V27 HydrophobicContact CD1-CG1 4.41Å; L17-M31 HydrophobicContact CB-CG 4.44Å; L17-M31 HydrophobicContact CD1-CB 4.17Å; L17-M31 HydrophobicContact CD1-CE 4.01Å; L17-M31 HydrophobicContact CD1-CG 4.15Å; L17-R72 HydrophobicContact CD2-CB 4.3Å; L17-R72 HydrophobicContact CD2-CG 4.21Å; L17-I75 HydrophobicContact CD1-CD1 4.24Å; L17-I75 HydrophobicContact CD1-CG2 4.13Å; L17-I75 HydrophobicContact CD2-CB 4.47Å; L17-I75 HydrophobicContact CD2-CD1 4.26Å; L17-I75 HydrophobicContact CD2-CG2 4.45Å
18S70.3Confident79Confident43 Ų4368.3 Ų68.330%0.30135%0.352SS..Hα-helixtrans-71.4-27.6175.676.20000113.5L14 R15 S16 R72L14-S18 PolarHBondContact O-N 3.3Å; R15-S18 WeakPolarHBondContact CA-OG 2.95Å; R15-S18 WeakPolarHBondContact O-CA 3.47Å; R15-S18 WeakPolarHBondContact O-CB 3.31Å; R15-S18 PolarHBondContact O-N 2.91Å; R15-S18 PolarHBondContact O-OG 3.46Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.37Å; S18-R72 VanDerWaalsContact O-CZ 3.29Å; S18-R72 PolarHBondContact O-NH1 3.02Å
19N75.5Confident79.4Confident134 Ų13463 Ų6372%0.71733%0.334SS*.Hα-helixtrans-84.5-20.2179.6-67.4-16.7000113.1R15 S16 L17 T21R15-N19 PolarHBondContact O-N 3.47Å; R15-N19 VanDerWaalsContact O-N 3.12Å; S16-N19 PolarHBondContact O-N 3.49Å; L17-N19 VanDerWaalsContact C-N 3.33Å; N19-T21 PolarHBondContact O-N 2.87Å
20A74.6Confident79.7Confident23 Ų2360.4 Ų60.419%0.1933%0.332CS..  trans-69.8126.7179.200000111.8S16 V27 R72S16-A20 PolarHBondContact O-N 3.03Å; A20-V27 HydrophobicContact CB-CG1 4.1Å; A20-R72 PolarHBondContact O-NH2 3.47Å
21T71.5Confident80.1Confident137 Ų13760.5 Ų60.584%0.8433%0.333SS*.SBendtrans-71.5-35.4-177.6-34.50000112.6N19N19-T21 PolarHBondContact O-N 2.87Å
22I75.8Confident80.6Confident134 Ų13459.4 Ų59.469%0.68733%0.326SS*.SBendtrans-123.9131.1176.7-58.9173.5000107.7
23I76.5Confident80.9Confident25 Ų2563 Ų6313%0.12833%0.332CS..  trans-100.5103.4177.7-55.7173.8000107.3L17 K71 R72 I75L17-I23 HydrophobicContact CD2-CD1 4.4Å; I23-K71 HydrophobicContact CD1-CB 4.07Å; I23-R72 HydrophobicContact CD1-CB 4.4Å; I23-R72 HydrophobicContact CD1-CG 3.34Å; I23-I75 HydrophobicContact CG2-CD1 3.76Å
24N80.4Confident81.3Confident62 Ų6267.9 Ų67.933%0.33236%0.355SS..  trans-109175.1173.868.20.3000110.4E26 V27 L28N24-E26 PolarHBondContact ND2-OE2 2.92Å; N24-E26 PolarHBondContact O-N 3.47Å; N24-E26 PolarHBondContact OD1-N 3.06Å; N24-V27 PolarHBondContact O-N 3.01Å; N24-V27 WeakPolarHBondContact OD1-CB 3.36Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.34Å; N24-V27 PolarHBondContact OD1-N 3.13Å; N24-L28 PolarHBondContact O-N 3.47Å
25E82.9Confident81.7Confident97 Ų9767.4 Ų67.445%0.45335%0.352SS..Hα-helixtrans-62.7-30.8-179.7-153.2-164.4150.600112.4L28 N29 K57 L62E25-L28 PolarHBondContact O-N 3.42Å; E25-N29 WeakPolarHBondContact O-CB 3.47Å; E25-N29 PolarHBondContact O-N 3.3Å; E25-N29 PolarHBondContact O-ND2 2.82Å; E25-N29 PolarHBondContact OE1-ND2 3.29Å; E25-K57 WeakPolarHBondContact OE1-CE 3.49Å; E25-K57 IonicContact OE1-NZ 2.73Å; E25-K57 PolarHBondContact OE1-NZ 3.22Å; E25-L62 HydrophobicContact CB-CD1 4.05Å; E25-L62 HydrophobicContact CG-CD1 4.21Å
26E84.9Confident82.3Confident149 Ų14960.1 Ų60.170%0.69633%0.327SS*.Hα-helixtrans-65.1-47177.9-62.1178.4158.600111.7N24 L28 N29 A30N24-E26 PolarHBondContact ND2-OE2 2.92Å; N24-E26 PolarHBondContact O-N 3.47Å; N24-E26 PolarHBondContact OD1-N 3.06Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-N29 PolarHBondContact O-N 3.49Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.9Å
27V85.1Confident82.9Confident43 Ų4359.8 Ų59.826%0.26133%0.327SS..Hα-helixtrans-62.9-40.7176.8171.30000110.7L17 A20 N24 A30 M31L17-V27 HydrophobicContact CD1-CG1 4.41Å; A20-V27 HydrophobicContact CB-CG1 4.1Å; N24-V27 PolarHBondContact O-N 3.01Å; N24-V27 WeakPolarHBondContact OD1-CB 3.36Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.34Å; N24-V27 PolarHBondContact OD1-N 3.13Å; V27-A30 PolarHBondContact O-N 3.47Å; V27-M31 WeakPolarHBondContact O-CB 3.37Å; V27-M31 PolarHBondContact O-N 3Å
28L84.7Confident83.5Confident4 Ų460 Ų602%0.02133%0.328CS..Hα-helixtrans-62.4-48.3175.3178.562.8000111.4N24 E25 E26 A30 M31 L32 I60 L62 I75N24-L28 PolarHBondContact O-N 3.47Å; E25-L28 PolarHBondContact O-N 3.42Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.47Å; L28-M31 HydrophobicContact CD1-CE 3.91Å; L28-M31 PolarHBondContact O-N 2.86Å; L28-L32 HydrophobicContact CD1-CD1 4.22Å; L28-L32 HydrophobicContact CD1-CG 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 WeakPolarHBondContact O-CG 3.24Å; L28-L32 PolarHBondContact O-N 3.23Å; L28-I60 HydrophobicContact CD1-CD1 3.99Å; L28-I60 HydrophobicContact CD2-CD1 4.27Å; L28-I60 HydrophobicContact CD2-CG2 4.14Å; L28-L62 HydrophobicContact CD2-CD1 4.48Å; L28-I75 HydrophobicContact CD1-CD1 4.41Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å
29N87.7Confident84.2Confident36 Ų3658 Ų5819%0.19332%0.315CS..Hα-helixtrans-64.4-37.3179.3-78.8-53.8000112.3E25 E26 K33E25-N29 WeakPolarHBondContact O-CB 3.47Å; E25-N29 PolarHBondContact O-N 3.3Å; E25-N29 PolarHBondContact O-ND2 2.82Å; E25-N29 PolarHBondContact OE1-ND2 3.29Å; E26-N29 PolarHBondContact O-N 3.49Å; N29-K33 WeakPolarHBondContact O-CB 3.28Å; N29-K33 PolarHBondContact O-N 3.22Å
30A88.5Confident84.7Confident51 Ų5154.9 Ų54.942%0.42130%0.298SS..Hα-helixtrans-63.8-48.1175.200000111.4E26 V27 L28 L32 K33 E34E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.9Å; V27-A30 PolarHBondContact O-N 3.47Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.47Å; A30-L32 PolarHBondContact O-N 3.09Å; A30-K33 WeakPolarHBondContact O-CB 3.46Å; A30-K33 PolarHBondContact O-N 3.45Å; A30-E34 PolarHBondContact O-N 3.31Å
31M88.8Confident85.2Confident3 Ų358.7 Ų58.72%0.01531%0.311CS..Hα-helixtrans-60.2-47.3176-179.2-79.3-70.200111.5A13 L14 L17 V27 L28 K33 E34 V35 I75 V79A13-M31 HydrophobicContact CB-CG 4.34Å; A13-M31 WeakPolarHBondContact O-CG 3.47Å; L14-M31 HydrophobicContact CD2-SD 4.05Å; L17-M31 HydrophobicContact CB-CG 4.44Å; L17-M31 HydrophobicContact CD1-CB 4.17Å; L17-M31 HydrophobicContact CD1-CE 4.01Å; L17-M31 HydrophobicContact CD1-CG 4.15Å; V27-M31 WeakPolarHBondContact O-CB 3.37Å; V27-M31 PolarHBondContact O-N 3Å; L28-M31 HydrophobicContact CD1-CE 3.91Å; L28-M31 PolarHBondContact O-N 2.86Å; M31-K33 PolarHBondContact O-N 3.17Å; M31-E34 PolarHBondContact O-N 3.38Å; M31-E34 VanDerWaalsContact O-N 3.15Å; M31-V35 WeakPolarHBondContact O-CG2 3.39Å; M31-V35 PolarHBondContact O-N 3.24Å; M31-V35 HydrophobicContact SD-CG2 3.64Å; M31-I75 HydrophobicContact CE-CG2 3.64Å; M31-V79 HydrophobicContact CE-CG2 4.15Å
32L89.3Confident85.7Confident2 Ų252.3 Ų52.31%0.0127%0.273CS..Hα-helixtrans-60.7-36.4177.4-72.8175.6000111.9L28 A30 V35 C36 V56L28-L32 HydrophobicContact CD1-CD1 4.22Å; L28-L32 HydrophobicContact CD1-CG 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 WeakPolarHBondContact O-CG 3.24Å; L28-L32 PolarHBondContact O-N 3.23Å; A30-L32 PolarHBondContact O-N 3.09Å; L32-V35 PolarHBondContact O-N 3.41Å; L32-C36 VanDerWaalsContact O-CB 3.27Å; L32-C36 WeakPolarHBondContact O-CB 3.37Å; L32-C36 PolarHBondContact O-N 2.97Å; L32-C36 PolarHBondContact O-SG 2.94Å; L32-V56 HydrophobicContact CD1-CG1 4.39Å; L32-V56 HydrophobicContact CD2-CB 4.12Å; L32-V56 HydrophobicContact CD2-CG1 3.71Å
33K91.2Very high85.8Confident150 Ų15048.4 Ų48.465%0.65225%0.253SS*.Hα-helixtrans-65.5-41.8176.2-169.8178.8-179.6-1770111.6N29 A30 M31 C36 A37N29-K33 WeakPolarHBondContact O-CB 3.28Å; N29-K33 PolarHBondContact O-N 3.22Å; A30-K33 WeakPolarHBondContact O-CB 3.46Å; A30-K33 PolarHBondContact O-N 3.45Å; M31-K33 PolarHBondContact O-N 3.17Å; K33-C36 PolarHBondContact O-N 2.9Å; K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.49Å; K33-A37 PolarHBondContact O-N 2.84Å
34E89.9Confident86.2Confident104 Ų10447.2 Ų47.249%0.48625%0.247SC..Hα-helixtrans-64.1-44.9174.7-72.1-176.917500112A13 A30 M31 A37 A38A13-E34 HydrophobicContact CB-CB 3.87Å; A13-E34 WeakPolarHBondContact CB-OE2 3.37Å; A30-E34 PolarHBondContact O-N 3.31Å; M31-E34 PolarHBondContact O-N 3.38Å; M31-E34 VanDerWaalsContact O-N 3.15Å; E34-A37 PolarHBondContact O-N 3.05Å; E34-A38 PolarHBondContact O-N 3.39Å
35V88.1Confident86.3Confident0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-62.3-45176.2173.70000110.9I10 A13 M31 L32 A37 A38 L39I10-V35 HydrophobicContact CG1-CG1 4.43Å; I10-V35 HydrophobicContact CG2-CG2 4.27Å; A13-V35 HydrophobicContact CB-CG2 3.87Å; M31-V35 WeakPolarHBondContact O-CG2 3.39Å; M31-V35 PolarHBondContact O-N 3.24Å; M31-V35 HydrophobicContact SD-CG2 3.64Å; L32-V35 PolarHBondContact O-N 3.41Å; V35-A37 PolarHBondContact O-N 2.89Å; V35-A38 PolarHBondContact O-N 2.9Å; V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 WeakPolarHBondContact O-CG 3.22Å; V35-L39 PolarHBondContact O-N 3.37Å
36C89.8Confident86.5Confident13 Ų1345.2 Ų45.29%0.08824%0.239CC..Hα-helixtrans-62.5-42176.6-69.90000111.8L32 K33 A38 L39 L40 V49L32-C36 VanDerWaalsContact O-CB 3.27Å; L32-C36 WeakPolarHBondContact O-CB 3.37Å; L32-C36 PolarHBondContact O-N 2.97Å; L32-C36 PolarHBondContact O-SG 2.94Å; K33-C36 PolarHBondContact O-N 2.9Å; C36-A38 VanDerWaalsContact C-N 3.34Å; C36-A38 PolarHBondContact O-N 3.47Å; C36-L39 PolarHBondContact O-N 2.98Å; C36-L40 VanDerWaalsContact O-CG 3.29Å; C36-L40 WeakPolarHBondContact O-CG 3.26Å; C36-L40 PolarHBondContact O-N 3.42Å; C36-V49 HydrophobicContact CB-CG1 3.54Å
37A90.1Very high86.6Confident45 Ų4545 Ų4537%0.37224%0.235SC..Hα-helixtrans-61.1-44.3176.300000111.1K33 E34 V35 L39 L40 E41K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.49Å; K33-A37 PolarHBondContact O-N 2.84Å; E34-A37 PolarHBondContact O-N 3.05Å; V35-A37 PolarHBondContact O-N 2.89Å; A37-L39 PolarHBondContact O-N 3.4Å; A37-L40 PolarHBondContact O-N 3.47Å; A37-E41 WeakPolarHBondContact O-CB 3.49Å; A37-E41 VanDerWaalsContact O-CG 3.32Å; A37-E41 WeakPolarHBondContact O-CG 3.41Å; A37-E41 PolarHBondContact O-N 2.94Å
38A87.6Confident86.6Confident4 Ų444.3 Ų44.33%0.03323%0.23CC..Hα-helixtrans-62.2-41.1176.600000112.4L6 K9 I10 E34 V35 C36 E41 A42L6-A38 HydrophobicContact CD1-CB 3.92Å; L6-A38 WeakPolarHBondContact CD1-O 3.42Å; K9-A38 HydrophobicContact CB-CB 3.82Å; K9-A38 HydrophobicContact CD-CB 4.28Å; I10-A38 HydrophobicContact CG1-CB 4.34Å; E34-A38 PolarHBondContact O-N 3.39Å; V35-A38 PolarHBondContact O-N 2.9Å; C36-A38 VanDerWaalsContact C-N 3.34Å; C36-A38 PolarHBondContact O-N 3.47Å; A38-E41 PolarHBondContact O-N 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.44Å
39L86.1Confident86.9Confident2 Ų244.3 Ų44.31%0.0123%0.23CC..Hα-helixtrans-66.2-41.1176.2-69.2170.1000112.2L6 I10 V35 C36 A37 A42 D43 V44 V49 L52 L83L6-L39 HydrophobicContact CD1-CD2 4.31Å; L6-L39 HydrophobicContact CD2-CD2 4.47Å; I10-L39 HydrophobicContact CD1-CD2 4.32Å; V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 WeakPolarHBondContact O-CG 3.22Å; V35-L39 PolarHBondContact O-N 3.37Å; C36-L39 PolarHBondContact O-N 2.98Å; A37-L39 PolarHBondContact O-N 3.4Å; L39-A42 CarbonylContact O-C 3.58Å; L39-A42 WeakPolarHBondContact O-CA 3.43Å; L39-A42 PolarHBondContact O-N 2.89Å; L39-A42 VanDerWaalsContact O-N 3.14Å; L39-D43 PolarHBondContact O-N 3.32Å; L39-V44 HydrophobicContact CB-CB 4.19Å; L39-V44 HydrophobicContact CB-CG2 4.11Å; L39-V44 HydrophobicContact CD2-CG2 4.06Å; L39-V44 VanDerWaalsContact O-CB 3.25Å; L39-V44 WeakPolarHBondContact O-CB 3.33Å; L39-V44 WeakPolarHBondContact O-CG2 3.4Å; L39-V44 PolarHBondContact O-N 3.41Å; L39-V49 HydrophobicContact CB-CG2 3.81Å; L39-V49 HydrophobicContact CD1-CG2 4.47Å; L39-L52 HydrophobicContact CD1-CD1 4.47Å; L39-L52 HydrophobicContact CD1-CD2 4.33Å; L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.37Å
40L86.4Confident87Confident69 Ų6949 Ų4936%0.36125%0.249SC..Hα-helixtrans-66-42.7175.9-70.5171.5000111.7C36 A37 A42 D43 I46 V49C36-L40 VanDerWaalsContact O-CG 3.29Å; C36-L40 WeakPolarHBondContact O-CG 3.26Å; C36-L40 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.47Å; L40-A42 PolarHBondContact O-N 3.21Å; L40-D43 PolarHBondContact O-N 3.37Å; L40-I46 HydrophobicContact CD2-CB 4.05Å; L40-I46 HydrophobicContact CD2-CG1 4Å; L40-V49 HydrophobicContact CD2-CB 4.26Å; L40-V49 HydrophobicContact CD2-CG1 4.5Å; L40-V49 HydrophobicContact CD2-CG2 3.99Å; L40-V49 HydrophobicContact CG-CG1 4.25Å; L40-V49 HydrophobicContact CG-CG2 4.27Å
41E84.6Confident87Confident102 Ų10251 Ų5148%0.47725%0.249SC..Hα-helixtrans-60.9-28172.2-75.9177.7166.700112K9 A37 A38 D43 K255K9-E41 IonicContact NZ-OE1 3.72Å; K9-E41 IonicContact NZ-OE2 3.62Å; K9-E41 PolarHBondContact NZ-OE2 3.05Å; A37-E41 WeakPolarHBondContact O-CB 3.49Å; A37-E41 VanDerWaalsContact O-CG 3.32Å; A37-E41 WeakPolarHBondContact O-CG 3.41Å; A37-E41 PolarHBondContact O-N 2.94Å; A38-E41 PolarHBondContact O-N 3.31Å; E41-D43 PolarHBondContact O-N 3.02Å; E41-K255 WeakPolarHBondContact O-CD 3.35Å; E41-K255 WeakPolarHBondContact O-CE 3.31Å; E41-K255 PolarHBondContact O-NZ 2.91Å
42A80.9Confident87Confident4 Ų450.9 Ų50.93%0.03325%0.249CC..THydrogen-bonded Turntrans-83.212.1174.100000114.2L6 A38 L39 L40 V44 K255 G257L6-A42 HydrophobicContact CD1-CB 3.91Å; L6-A42 HydrophobicContact CD2-CB 3.8Å; L6-A42 HydrophobicContact CG-CB 4.29Å; A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.44Å; L39-A42 CarbonylContact O-C 3.58Å; L39-A42 WeakPolarHBondContact O-CA 3.43Å; L39-A42 PolarHBondContact O-N 2.89Å; L39-A42 VanDerWaalsContact O-N 3.14Å; L40-A42 PolarHBondContact O-N 3.21Å; A42-V44 VanDerWaalsContact C-N 3.27Å; A42-V44 HydrophobicContact CB-CG2 4.46Å; A42-V44 PolarHBondContact O-N 2.95Å; A42-K255 HydrophobicContact CB-CB 4.12Å; A42-K255 VanDerWaalsContact O-CB 3.22Å; A42-K255 WeakPolarHBondContact O-CB 3.36Å; A42-G257 VanDerWaalsContact O-CA 3.27Å; A42-G257 WeakPolarHBondContact O-CA 3.33Å; A42-G257 PolarHBondContact O-N 2.77Å
43D79.4Confident87.1Confident51 Ų5156.1 Ų56.127%0.27327%0.269SS..THydrogen-bonded Turntrans58.334.1-178.8-54.3-35.8000113.5L39 L40 E41 Q227 K255 G257L39-D43 PolarHBondContact O-N 3.32Å; L40-D43 PolarHBondContact O-N 3.37Å; E41-D43 PolarHBondContact O-N 3.02Å; D43-Q227 PolarHBondContact O-NE2 2.9Å; D43-K255 HydrophobicContact CB-CD 4.44Å; D43-K255 IonicContact OD1-NZ 3.37Å; D43-K255 PolarHBondContact OD1-NZ 3.41Å; D43-K255 VanDerWaalsContact OD1-NZ 3.13Å; D43-K255 WeakPolarHBondContact OD2-CD 3.49Å; D43-K255 IonicContact OD2-NZ 3.26Å; D43-K255 PolarHBondContact OD2-NZ 3.32Å; D43-K255 VanDerWaalsContact OD2-NZ 3.16Å; D43-G257 CarbonylContact O-C 3.54Å
44V83.1Confident87.1Confident0 Ų053.5 Ų53.50%026%0.259CS..  trans-76.4141.1167.3-176.30000110.1L39 A42 I46 L48 V49 Q227 L260L39-V44 HydrophobicContact CB-CB 4.19Å; L39-V44 HydrophobicContact CB-CG2 4.11Å; L39-V44 HydrophobicContact CD2-CG2 4.06Å; L39-V44 VanDerWaalsContact O-CB 3.25Å; L39-V44 WeakPolarHBondContact O-CB 3.33Å; L39-V44 WeakPolarHBondContact O-CG2 3.4Å; L39-V44 PolarHBondContact O-N 3.41Å; A42-V44 VanDerWaalsContact C-N 3.27Å; A42-V44 HydrophobicContact CB-CG2 4.46Å; A42-V44 PolarHBondContact O-N 2.95Å; V44-I46 PolarHBondContact O-N 3.36Å; V44-L48 HydrophobicContact CG1-CB 4.48Å; V44-V49 HydrophobicContact CB-CG2 3.97Å; V44-V49 HydrophobicContact CG1-CG2 3.78Å; V44-Q227 PolarHBondContact O-NE2 3.49Å; V44-L260 HydrophobicContact CG1-CD1 3.95Å; V44-L260 HydrophobicContact CG2-CD1 3.8Å
45N83.7Confident87Confident8 Ų850 Ų504%0.04324%0.243CC..  trans-57.5130.7-177.4-167.9-62.2000112.9K47 L48 V49 E230N45-K47 PolarHBondContact O-N 2.94Å; N45-K47 VanDerWaalsContact O-N 3.17Å; N45-K47 VanDerWaalsContact OD1-CB 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.44Å; N45-K47 PolarHBondContact OD1-N 3.04Å; N45-L48 HydrophobicContact CB-CB 4.32Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 3.98Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 3.19Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.86Å; N45-E230 PolarHBondContact ND2-OE2 3.37Å
46I86.4Confident87Confident110 Ų11050 Ų5056%0.56424%0.243SC*.Hα-helixtrans-58-33.2-177.4-164.5163.1000113.3L40 V44 V49 K50L40-I46 HydrophobicContact CD2-CB 4.05Å; L40-I46 HydrophobicContact CD2-CG1 4Å; V44-I46 PolarHBondContact O-N 3.36Å; I46-V49 PolarHBondContact O-N 3.47Å; I46-K50 WeakPolarHBondContact O-CB 3.35Å; I46-K50 PolarHBondContact O-N 2.94Å
47K86.9Confident86.8Confident143 Ų14353.8 Ų53.862%0.62226%0.258SS*.Hα-helixtrans-67.1-41.3177-61.3176.6-176.9170.90110.9N45 K50 Q51N45-K47 PolarHBondContact O-N 2.94Å; N45-K47 VanDerWaalsContact O-N 3.17Å; N45-K47 VanDerWaalsContact OD1-CB 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.44Å; N45-K47 PolarHBondContact OD1-N 3.04Å; K47-K50 PolarHBondContact O-N 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.43Å; K47-Q51 PolarHBondContact O-N 3.34Å
48L86.4Confident86.6Confident29 Ų2956.2 Ų56.215%0.15227%0.272CS..Hα-helixtrans-68.2-40.7177.3-62.3177.2000111.4V44 N45 Q51 L52 L86 A264V44-L48 HydrophobicContact CG1-CB 4.48Å; N45-L48 HydrophobicContact CB-CB 4.32Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 3.98Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 3.19Å; L48-Q51 PolarHBondContact O-N 2.8Å; L48-L52 WeakPolarHBondContact O-CB 3.27Å; L48-L52 PolarHBondContact O-N 3.12Å; L48-L86 HydrophobicContact CB-CD2 4.45Å; L48-L86 HydrophobicContact CD2-CD2 4.43Å; L48-A264 HydrophobicContact CD1-CB 3.82Å; L48-A264 HydrophobicContact CD2-CB 3.85Å; L48-A264 HydrophobicContact CG-CB 4.48Å
49V89.5Confident86.3Confident5 Ų559 Ų593%0.0329%0.292CS..Hα-helixtrans-63.8-43175.8178.20000111.1C36 L39 L40 V44 N45 I46 L52 R53C36-V49 HydrophobicContact CB-CG1 3.54Å; L39-V49 HydrophobicContact CB-CG2 3.81Å; L39-V49 HydrophobicContact CD1-CG2 4.47Å; L40-V49 HydrophobicContact CD2-CB 4.26Å; L40-V49 HydrophobicContact CD2-CG1 4.5Å; L40-V49 HydrophobicContact CD2-CG2 3.99Å; L40-V49 HydrophobicContact CG-CG1 4.25Å; L40-V49 HydrophobicContact CG-CG2 4.27Å; V44-V49 HydrophobicContact CB-CG2 3.97Å; V44-V49 HydrophobicContact CG1-CG2 3.78Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.86Å; I46-V49 PolarHBondContact O-N 3.47Å; V49-L52 PolarHBondContact O-N 3.04Å; V49-R53 PolarHBondContact O-N 3.49Å
50K90.4Very high86Confident133 Ų13359.7 Ų59.758%0.57830%0.295SS*.Hα-helixtrans-62-46.7175.4-175.6178.1172.6-177.10111.4I46 K47 L52 R53 E54I46-K50 WeakPolarHBondContact O-CB 3.35Å; I46-K50 PolarHBondContact O-N 2.94Å; K47-K50 PolarHBondContact O-N 3.3Å; K50-L52 VanDerWaalsContact C-N 3.34Å; K50-L52 PolarHBondContact O-N 2.88Å; K50-R53 WeakPolarHBondContact O-CB 3.32Å; K50-R53 PolarHBondContact O-N 3.15Å; K50-E54 WeakPolarHBondContact CE-OE1 3.41Å; K50-E54 IonicContact NZ-OE1 3.37Å; K50-E54 PolarHBondContact O-N 3.46Å
51Q88.4Confident85.3Confident94 Ų9460.4 Ų60.444%0.43930%0.3SS..Hα-helixtrans-60.3-43.2177.4-171.865.750.900111.9K47 L48 R53 E54 N55K47-Q51 WeakPolarHBondContact O-CB 3.43Å; K47-Q51 PolarHBondContact O-N 3.34Å; L48-Q51 PolarHBondContact O-N 2.8Å; Q51-R53 VanDerWaalsContact C-N 3.34Å; Q51-R53 PolarHBondContact O-N 3.3Å; Q51-E54 PolarHBondContact O-N 3.22Å; Q51-N55 PolarHBondContact NE2-OD1 3.39Å; Q51-N55 WeakPolarHBondContact O-CB 3.38Å; Q51-N55 PolarHBondContact O-N 2.9Å; Q51-N55 PolarHBondContact O-OD1 3.02Å
52L89.3Confident84.5Confident1 Ų157.5 Ų57.51%0.00529%0.287CS..Hα-helixtrans-59.9-45.3176175.1141.6000111.3L39 L48 V49 K50 E54 N55 V56 E82 L83 L86L39-L52 HydrophobicContact CD1-CD1 4.47Å; L39-L52 HydrophobicContact CD1-CD2 4.33Å; L48-L52 WeakPolarHBondContact O-CB 3.27Å; L48-L52 PolarHBondContact O-N 3.12Å; V49-L52 PolarHBondContact O-N 3.04Å; K50-L52 VanDerWaalsContact C-N 3.34Å; K50-L52 PolarHBondContact O-N 2.88Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.43Å; L52-N55 PolarHBondContact O-N 3.47Å; L52-V56 HydrophobicContact CD2-CG2 4.4Å; L52-V56 HydrophobicContact CG-CG2 4.33Å; L52-V56 WeakPolarHBondContact O-CB 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 3.32Å; L52-E82 HydrophobicContact CD1-CB 4.42Å; L52-E82 HydrophobicContact CG-CB 4.46Å; L52-L83 HydrophobicContact CD1-CD2 3.67Å; L52-L83 HydrophobicContact CD1-CG 4.12Å; L52-L86 HydrophobicContact CB-CD1 4.07Å; L52-L86 HydrophobicContact CD1-CD1 3.38Å; L52-L86 HydrophobicContact CD1-CG 4.17Å; L52-L86 HydrophobicContact CG-CD1 4.35Å
53R90.6Very high83.7Confident112 Ų11266.3 Ų66.342%0.42333%0.327SS..Hα-helixtrans-59.7-44.2178.2-176.3-179.2174.3-169.4-3111.9V49 K50 Q51 K57V49-R53 PolarHBondContact O-N 3.49Å; K50-R53 WeakPolarHBondContact O-CB 3.32Å; K50-R53 PolarHBondContact O-N 3.15Å; Q51-R53 VanDerWaalsContact C-N 3.34Å; Q51-R53 PolarHBondContact O-N 3.3Å; R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 PolarHBondContact O-N 2.92Å
54E90.6Very high82.9Confident95 Ų9572 Ų7244%0.44435%0.353SS..Hα-helixtrans-68.2-41.3179.6-71.1173.3-176.700111.9K50 Q51 L52 K57 S58K50-E54 WeakPolarHBondContact CE-OE1 3.41Å; K50-E54 IonicContact NZ-OE1 3.37Å; K50-E54 PolarHBondContact O-N 3.46Å; Q51-E54 PolarHBondContact O-N 3.22Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.43Å; E54-K57 PolarHBondContact O-N 3.37Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.02Å; E54-S58 PolarHBondContact O-OG 3.29Å
55N88.5Confident81.8Confident30 Ų3073.3 Ų73.316%0.1636%0.359CS..Hα-helixtrans-65.4-42.5175.9-69-3000112.3Q51 L52 S58 S59 E82Q51-N55 PolarHBondContact NE2-OD1 3.39Å; Q51-N55 WeakPolarHBondContact O-CB 3.38Å; Q51-N55 PolarHBondContact O-N 2.9Å; Q51-N55 PolarHBondContact O-OD1 3.02Å; L52-N55 PolarHBondContact O-N 3.47Å; N55-S58 WeakPolarHBondContact CA-OG 3.3Å; N55-S58 PolarHBondContact O-N 3.44Å; N55-S58 PolarHBondContact O-OG 3.16Å; N55-S58 VanDerWaalsContact O-OG 3.05Å; N55-S59 WeakPolarHBondContact O-CB 3.42Å; N55-S59 PolarHBondContact O-N 3Å; N55-S59 PolarHBondContact O-OG 3.49Å; N55-E82 HydrophobicContact CB-CG 4.12Å; N55-E82 VanDerWaalsContact CB-OE2 3.22Å; N55-E82 WeakPolarHBondContact CB-OE2 3.29Å; N55-E82 PolarHBondContact ND2-OE2 3.43Å
56V88.1Confident80.4Confident0 Ų075.6 Ų75.60%038%0.379CS..Hα-helixtrans-66.9-40.7177.5177.60000110.3L32 L52 S58 S59 I60 V79 E82L32-V56 HydrophobicContact CD1-CG1 4.39Å; L32-V56 HydrophobicContact CD2-CB 4.12Å; L32-V56 HydrophobicContact CD2-CG1 3.71Å; L52-V56 HydrophobicContact CD2-CG2 4.4Å; L52-V56 HydrophobicContact CG-CG2 4.33Å; L52-V56 WeakPolarHBondContact O-CB 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 3.32Å; V56-S58 PolarHBondContact O-N 3.48Å; V56-S59 WeakPolarHBondContact CA-OG 3.44Å; V56-S59 PolarHBondContact O-N 3.07Å; V56-S59 PolarHBondContact O-OG 3Å; V56-I60 HydrophobicContact CG1-CD1 3.57Å; V56-I60 WeakPolarHBondContact O-CD1 3.45Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.29Å; V56-V79 HydrophobicContact CG1-CG2 4.05Å; V56-E82 HydrophobicContact CG2-CB 3.79Å; V56-E82 HydrophobicContact CG2-CG 3.74Å
57K86.1Confident79.2Confident92 Ų9275 Ų7540%0.438%0.384SS..Hα-helixtrans-65.4-37.8177.8-170.2171.2-176.8171.60112.7E25 R53 E54E25-K57 WeakPolarHBondContact OE1-CE 3.49Å; E25-K57 IonicContact OE1-NZ 2.73Å; E25-K57 PolarHBondContact OE1-NZ 3.22Å; R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 PolarHBondContact O-N 2.92Å; E54-K57 PolarHBondContact O-N 3.37Å
58S85.8Confident77.8Confident96 Ų9670.2 Ų70.267%0.67138%0.376SS*.Hα-helixtrans-77.2-24.8178.850.70000114E54 N55 V56E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.02Å; E54-S58 PolarHBondContact O-OG 3.29Å; N55-S58 WeakPolarHBondContact CA-OG 3.3Å; N55-S58 PolarHBondContact O-N 3.44Å; N55-S58 PolarHBondContact O-OG 3.16Å; N55-S58 VanDerWaalsContact O-OG 3.05Å; V56-S58 PolarHBondContact O-N 3.48Å
59S80.6Confident76.5Confident64 Ų6475.7 Ų75.745%0.44840%0.404SS..Hα-helixtrans-84.8-7.8178.659.80000114.5N55 V56 S78N55-S59 WeakPolarHBondContact O-CB 3.42Å; N55-S59 PolarHBondContact O-N 3Å; N55-S59 PolarHBondContact O-OG 3.49Å; V56-S59 WeakPolarHBondContact CA-OG 3.44Å; V56-S59 PolarHBondContact O-N 3.07Å; V56-S59 PolarHBondContact O-OG 3Å; S59-S78 PolarHBondContact OG-OG 3.5Å
60I80.1Confident75.4Confident16 Ų1679.7 Ų79.78%0.08243%0.426CS..  trans-111.5105.2-178.9-62.6167.4000108.4L28 V56 L62 M65 I75L28-I60 HydrophobicContact CD1-CD1 3.99Å; L28-I60 HydrophobicContact CD2-CD1 4.27Å; L28-I60 HydrophobicContact CD2-CG2 4.14Å; V56-I60 HydrophobicContact CG1-CD1 3.57Å; V56-I60 WeakPolarHBondContact O-CD1 3.45Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.29Å; I60-L62 HydrophobicContact CG2-CD2 3.93Å; I60-L62 HydrophobicContact CG2-CG 4.24Å; I60-M65 HydrophobicContact CG2-SD 3.87Å; I60-I75 HydrophobicContact CD1-CB 4.47Å; I60-I75 HydrophobicContact CD1-CG1 4.12Å; I60-I75 HydrophobicContact CD1-CG2 4.19Å; I60-I75 HydrophobicContact CG2-CG1 4.43Å
61D72.2Confident74.7Confident84 Ų8475.5 Ų75.545%0.44941%0.408SS..  trans-93.5109.4166.7-164.5-31.8000109.5E63 E64 M65D61-E63 PolarHBondContact O-N 2.92Å; D61-E63 PolarHBondContact OD1-N 3.19Å; D61-E64 HydrophobicContact CB-CB 4.33Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å
62L67.5Low74.1Confident41 Ų4174.2 Ų74.222%0.21540%0.399CS..THydrogen-bonded Turntrans-71-20.3-174.9-70.4171.7000113E25 L28 I60 K71E25-L62 HydrophobicContact CB-CD1 4.05Å; E25-L62 HydrophobicContact CG-CD1 4.21Å; L28-L62 HydrophobicContact CD2-CD1 4.48Å; I60-L62 HydrophobicContact CG2-CD2 3.93Å; I60-L62 HydrophobicContact CG2-CG 4.24Å; L62-K71 PolarHBondContact O-NZ 3.19Å
63E63.4Low73.5Confident188 Ų18883.1 Ų83.188%0.87943%0.432SS*.THydrogen-bonded Turntrans-85-36.9-176.1-63.1-171.617300111.9D61D61-E63 PolarHBondContact O-N 2.92Å; D61-E63 PolarHBondContact OD1-N 3.19Å
64E62.5Low72.9Confident171 Ų17181.4 Ų81.480%0.79943%0.43SS*.THydrogen-bonded Turntrans-79.9-17.5-179.9-109.6-170.5168.600114.5D61 A66D61-E64 HydrophobicContact CB-CB 4.33Å; E64-A66 PolarHBondContact O-N 3.4Å
65M60Low72.5Confident28 Ų2876.9 Ų76.914%0.13841%0.409CS..  trans-75.5128.7-171.9-69168.696.700113I60 D61 K71 M74 I75I60-M65 HydrophobicContact CG2-SD 3.87Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å; M65-K71 HydrophobicContact CB-CD 4.16Å; M65-K71 HydrophobicContact CB-CG 3.94Å; M65-K71 WeakPolarHBondContact O-CE 3.34Å; M65-K71 PolarHBondContact O-NZ 2.87Å; M65-M74 HydrophobicContact CB-CE 4.05Å; M65-M74 HydrophobicContact CE-CB 3.17Å; M65-M74 HydrophobicContact CE-CE 3.89Å; M65-M74 HydrophobicContact CE-CG 3.95Å; M65-M74 HydrophobicContact CE-SD 3.59Å; M65-M74 VanDerWaalsContact CE-SD 3.59Å; M65-M74 HydrophobicContact CG-CE 4.11Å; M65-M74 HydrophobicContact CG-SD 4.28Å; M65-I75 HydrophobicContact CE-CG1 4.45Å
66A55.5Low72.1Confident55 Ų5578.5 Ų78.546%0.45542%0.415SS..  trans-59.3159.6173.800000113.3E64 K71E64-A66 PolarHBondContact O-N 3.4Å; A66-K71 WeakPolarHBondContact O-CG 3.41Å
67S60.6Low71.9Confident98 Ų9884.1 Ų84.169%0.68544%0.441SS*.SBendtrans-38152.3-169.662.90000118.1L69 N70S67-L69 VanDerWaalsContact C-N 3.33Å; S67-L69 PolarHBondContact O-N 3.49Å; S67-N70 PolarHBondContact O-N 3.21Å
68G58.6Low71.8Confident43 Ų4380.5 Ų80.544%0.44343%0.428SS..Hα-helixtrans-48.9-22-153.800000121.1
69L58.8Low71.8Confident143 Ų14376 Ų7675%0.74940%0.396SS*.Hα-helixtrans-74.4-35.1173.1-86.3161.6000112.2S67S67-L69 VanDerWaalsContact C-N 3.33Å; S67-L69 PolarHBondContact O-N 3.49Å
70N65.8Low72Confident90 Ų9074.6 Ų74.648%0.48138%0.382SS..Hα-helixtrans-72.9-33.5176.2-89.8-15.6000111.8S67 R72 R73 M74S67-N70 PolarHBondContact O-N 3.21Å; N70-R72 PolarHBondContact O-N 3.41Å; N70-R73 PolarHBondContact O-N 3.11Å; N70-M74 HydrophobicContact CB-CE 3.88Å; N70-M74 WeakPolarHBondContact O-CB 3.49Å; N70-M74 WeakPolarHBondContact O-CG 3.36Å; N70-M74 PolarHBondContact O-N 3.04Å
71K74.9Confident72.4Confident45 Ų4580.2 Ų80.220%0.19641%0.406CS..Hα-helixtrans-57.9-47.5177.9-60.8-157.5175.7-163.10112.6I23 L62 M65 A66 R73 M74 I75I23-K71 HydrophobicContact CD1-CB 4.07Å; L62-K71 PolarHBondContact O-NZ 3.19Å; M65-K71 HydrophobicContact CB-CD 4.16Å; M65-K71 HydrophobicContact CB-CG 3.94Å; M65-K71 WeakPolarHBondContact O-CE 3.34Å; M65-K71 PolarHBondContact O-NZ 2.87Å; A66-K71 WeakPolarHBondContact O-CG 3.41Å; K71-R73 PolarHBondContact O-N 3.28Å; K71-M74 PolarHBondContact O-N 2.88Å; K71-I75 VanDerWaalsContact O-CG1 3.31Å; K71-I75 WeakPolarHBondContact O-CG1 3.38Å; K71-I75 PolarHBondContact O-N 2.94Å
72R76.4Confident73.1Confident66 Ų6677 Ų7725%0.24939%0.388CS..Hα-helixtrans-60-49.7-179.2-65.7176.9180159.33.2112.4L17 S18 A20 I23 N70 M74 I75 Q76L17-R72 HydrophobicContact CD2-CB 4.3Å; L17-R72 HydrophobicContact CD2-CG 4.21Å; S18-R72 VanDerWaalsContact O-CZ 3.29Å; S18-R72 PolarHBondContact O-NH1 3.02Å; A20-R72 PolarHBondContact O-NH2 3.47Å; I23-R72 HydrophobicContact CD1-CB 4.4Å; I23-R72 HydrophobicContact CD1-CG 3.34Å; N70-R72 PolarHBondContact O-N 3.41Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 2.95Å; R72-I75 PolarHBondContact O-N 3.45Å; R72-Q76 WeakPolarHBondContact O-CG 3.32Å; R72-Q76 PolarHBondContact O-N 3.19Å
73R76.9Confident73.9Confident189 Ų18975.2 Ų75.271%0.71338%0.379SS*.Hα-helixtrans-66-37.6-177.5-167.7176-178176.70.5111.2N70 K71 H77N70-R73 PolarHBondContact O-N 3.11Å; K71-R73 PolarHBondContact O-N 3.28Å; R73-H77 VanDerWaalsContact O-CB 3.24Å; R73-H77 WeakPolarHBondContact O-CB 3.49Å; R73-H77 PolarHBondContact O-N 3.44Å
74M78.3Confident75Confident76 Ų7667.1 Ų67.137%0.37434%0.342SS..Hα-helixtrans-65.8-41.8175-78.5-166.8-98.700112.6M65 N70 K71 R72 H77 S78M65-M74 HydrophobicContact CB-CE 4.05Å; M65-M74 HydrophobicContact CE-CB 3.17Å; M65-M74 HydrophobicContact CE-CE 3.89Å; M65-M74 HydrophobicContact CE-CG 3.95Å; M65-M74 HydrophobicContact CE-SD 3.59Å; M65-M74 VanDerWaalsContact CE-SD 3.59Å; M65-M74 HydrophobicContact CG-CE 4.11Å; M65-M74 HydrophobicContact CG-SD 4.28Å; N70-M74 HydrophobicContact CB-CE 3.88Å; N70-M74 WeakPolarHBondContact O-CB 3.49Å; N70-M74 WeakPolarHBondContact O-CG 3.36Å; N70-M74 PolarHBondContact O-N 3.04Å; K71-M74 PolarHBondContact O-N 2.88Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 2.95Å; M74-H77 PolarHBondContact O-N 3.02Å; M74-S78 WeakPolarHBondContact O-CB 3.29Å; M74-S78 PolarHBondContact O-N 2.61Å
75I81.4Confident76.1Confident0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-62.4-47.6175.9-65.6167.6000110.5L17 I23 L28 M31 I60 M65 K71 R72 H77 S78 V79L17-I75 HydrophobicContact CD1-CD1 4.24Å; L17-I75 HydrophobicContact CD1-CG2 4.13Å; L17-I75 HydrophobicContact CD2-CB 4.47Å; L17-I75 HydrophobicContact CD2-CD1 4.26Å; L17-I75 HydrophobicContact CD2-CG2 4.45Å; I23-I75 HydrophobicContact CG2-CD1 3.76Å; L28-I75 HydrophobicContact CD1-CD1 4.41Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å; M31-I75 HydrophobicContact CE-CG2 3.64Å; I60-I75 HydrophobicContact CD1-CB 4.47Å; I60-I75 HydrophobicContact CD1-CG1 4.12Å; I60-I75 HydrophobicContact CD1-CG2 4.19Å; I60-I75 HydrophobicContact CG2-CG1 4.43Å; M65-I75 HydrophobicContact CE-CG1 4.45Å; K71-I75 VanDerWaalsContact O-CG1 3.31Å; K71-I75 WeakPolarHBondContact O-CG1 3.38Å; K71-I75 PolarHBondContact O-N 2.94Å; R72-I75 PolarHBondContact O-N 3.45Å; I75-H77 VanDerWaalsContact C-N 3.29Å; I75-H77 PolarHBondContact O-N 3Å; I75-S78 PolarHBondContact O-N 2.91Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.98Å
76Q80.4Confident77.1Confident64 Ų6464.8 Ų64.830%0.29933%0.329SS..Hα-helixtrans-58.1-43.1175.6-74.6176.4-9.100111.8L14 R72 V79 F80L14-Q76 HydrophobicContact CB-CG 4.49Å; L14-Q76 HydrophobicContact CD1-CG 4.48Å; L14-Q76 HydrophobicContact CD2-CG 4.1Å; R72-Q76 WeakPolarHBondContact O-CG 3.32Å; R72-Q76 PolarHBondContact O-N 3.19Å; Q76-V79 PolarHBondContact O-N 3.36Å; Q76-F80 WeakPolarHBondContact O-CB 3.45Å; Q76-F80 PolarHBondContact O-N 2.93Å
77H83.2Confident78.3Confident118 Ų11862.2 Ų62.255%0.54631%0.308SS..Hα-helixtrans-66.4-38.5177.8-171.970.7000112.5R73 M74 I75 F80 K81R73-H77 VanDerWaalsContact O-CB 3.24Å; R73-H77 WeakPolarHBondContact O-CB 3.49Å; R73-H77 PolarHBondContact O-N 3.44Å; M74-H77 PolarHBondContact O-N 3.02Å; I75-H77 VanDerWaalsContact C-N 3.29Å; I75-H77 PolarHBondContact O-N 3Å; H77-F80 PolarHBondContact O-N 2.84Å; H77-K81 WeakPolarHBondContact O-CB 3.33Å; H77-K81 PolarHBondContact O-N 3.5Å
78S85.6Confident79.4Confident16 Ų1661.1 Ų61.111%0.11230%0.295CS..Hα-helixtrans-63.8-47.1175.31780000111.4S59 M74 I75 F80 K81 E82S59-S78 PolarHBondContact OG-OG 3.5Å; M74-S78 WeakPolarHBondContact O-CB 3.29Å; M74-S78 PolarHBondContact O-N 2.61Å; I75-S78 PolarHBondContact O-N 2.91Å; S78-F80 VanDerWaalsContact C-N 3.34Å; S78-F80 PolarHBondContact O-N 3.17Å; S78-K81 PolarHBondContact O-N 3.47Å; S78-E82 PolarHBondContact O-N 3.48Å
79V85.8Confident80.4Confident1 Ų160.8 Ų60.81%0.00629%0.285CS..Hα-helixtrans-59.1-45.4174.81740000111.1M31 V56 I75 Q76 K81 E82 L83M31-V79 HydrophobicContact CE-CG2 4.15Å; V56-V79 HydrophobicContact CG1-CG2 4.05Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.98Å; Q76-V79 PolarHBondContact O-N 3.36Å; V79-K81 PolarHBondContact O-N 3.29Å; V79-E82 PolarHBondContact O-N 2.85Å; V79-L83 HydrophobicContact CG1-CD1 3.97Å; V79-L83 HydrophobicContact CG1-CG 4.44Å; V79-L83 WeakPolarHBondContact O-CB 3.18Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.18Å
80F85.1Confident81.4Confident35 Ų3557.2 Ų57.215%0.15428%0.283CS..Hα-helixtrans-59-47.3175.8175.4-95.4000111.8Q76 H77 S78 E82 L83 V84 Q288 I291 L295Q76-F80 WeakPolarHBondContact O-CB 3.45Å; Q76-F80 PolarHBondContact O-N 2.93Å; H77-F80 PolarHBondContact O-N 2.84Å; S78-F80 VanDerWaalsContact C-N 3.34Å; S78-F80 PolarHBondContact O-N 3.17Å; F80-E82 PolarHBondContact O-N 3.49Å; F80-L83 PolarHBondContact O-N 2.97Å; F80-V84 HydrophobicContact CD1-CG2 4.17Å; F80-V84 HydrophobicContact CE1-CG2 3.77Å; F80-V84 HydrophobicContact CE2-CG2 4.18Å; F80-V84 HydrophobicContact CZ-CG2 3.78Å; F80-V84 WeakPolarHBondContact O-CG2 3.32Å; F80-V84 PolarHBondContact O-N 3.31Å; F80-Q288 HydrophobicContact CZ-CG 4.49Å; F80-I291 HydrophobicContact CD2-CB 4.44Å; F80-I291 HydrophobicContact CD2-CG2 3.61Å; F80-I291 HydrophobicContact CE2-CB 4Å; F80-I291 HydrophobicContact CE2-CG2 3.67Å; F80-L295 HydrophobicContact CB-CD1 4Å; F80-L295 HydrophobicContact CD2-CD1 3.66Å; F80-L295 HydrophobicContact CG-CD1 4.33Å
81K87.2Confident82.1Confident134 Ų13456.6 Ų56.658%0.58328%0.282SS*.Hα-helixtrans-62.3-42.6-179.3-173.5179.4178.9-177.60111.9H77 S78 V79 V84 K85H77-K81 WeakPolarHBondContact O-CB 3.33Å; H77-K81 PolarHBondContact O-N 3.5Å; S78-K81 PolarHBondContact O-N 3.47Å; V79-K81 PolarHBondContact O-N 3.29Å; K81-V84 PolarHBondContact O-N 2.98Å; K81-K85 WeakPolarHBondContact O-CB 3.35Å; K81-K85 PolarHBondContact O-N 3.48Å
82E88Confident82.6Confident17 Ų1763.9 Ų63.98%0.07931%0.314CS..Hα-helixtrans-70.3-35.7177.1-73.3-60136.300112.2L52 N55 V56 S78 V79 F80 K85 L86L52-E82 HydrophobicContact CD1-CB 4.42Å; L52-E82 HydrophobicContact CG-CB 4.46Å; N55-E82 HydrophobicContact CB-CG 4.12Å; N55-E82 VanDerWaalsContact CB-OE2 3.22Å; N55-E82 WeakPolarHBondContact CB-OE2 3.29Å; N55-E82 PolarHBondContact ND2-OE2 3.43Å; V56-E82 HydrophobicContact CG2-CB 3.79Å; V56-E82 HydrophobicContact CG2-CG 3.74Å; S78-E82 PolarHBondContact O-N 3.48Å; V79-E82 PolarHBondContact O-N 2.85Å; F80-E82 PolarHBondContact O-N 3.49Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 IonicContact OE1-NZ 3.96Å; E82-L86 WeakPolarHBondContact O-CG 3.35Å; E82-L86 PolarHBondContact O-N 3.34Å
83L84.5Confident83Confident3 Ų362.9 Ų62.92%0.01632%0.319CS..Hα-helixtrans-62.5-44.6171-74.8171000111.7L39 L52 V79 F80 K85 L86 V87 I291 L295L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.37Å; L52-L83 HydrophobicContact CD1-CD2 3.67Å; L52-L83 HydrophobicContact CD1-CG 4.12Å; V79-L83 HydrophobicContact CG1-CD1 3.97Å; V79-L83 HydrophobicContact CG1-CG 4.44Å; V79-L83 WeakPolarHBondContact O-CB 3.18Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.43Å; V79-L83 PolarHBondContact O-N 3.18Å; F80-L83 PolarHBondContact O-N 2.97Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 2.94Å; L83-L86 PolarHBondContact O-N 3.33Å; L83-V87 WeakPolarHBondContact O-CG2 3.4Å; L83-V87 PolarHBondContact O-N 3.15Å; L83-I291 HydrophobicContact CB-CD1 4.5Å; L83-I291 HydrophobicContact CB-CG2 3.92Å; L83-I291 HydrophobicContact CD1-CG2 4.36Å; L83-L295 HydrophobicContact CD1-CD2 4.01Å
84V85.8Confident83.7Confident18 Ų1856.9 Ų56.911%0.10930%0.297CS..Hα-helixtrans-59.7-44.6174.6168.90000110.4F80 K81 L86 V87 D88 T287 Q288 I291F80-V84 HydrophobicContact CD1-CG2 4.17Å; F80-V84 HydrophobicContact CE1-CG2 3.77Å; F80-V84 HydrophobicContact CE2-CG2 4.18Å; F80-V84 HydrophobicContact CZ-CG2 3.78Å; F80-V84 WeakPolarHBondContact O-CG2 3.32Å; F80-V84 PolarHBondContact O-N 3.31Å; K81-V84 PolarHBondContact O-N 2.98Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 3.37Å; V84-V87 CarbonylContact O-C 3.54Å; V84-V87 PolarHBondContact O-N 2.89Å; V84-D88 HydrophobicContact CG1-CB 4.41Å; V84-D88 VanDerWaalsContact O-CB 3.32Å; V84-D88 WeakPolarHBondContact O-CB 3.2Å; V84-D88 PolarHBondContact O-N 2.96Å; V84-T287 HydrophobicContact CG1-CG2 4.03Å; V84-Q288 HydrophobicContact CG1-CG 4.47Å; V84-Q288 HydrophobicContact CG2-CG 4.42Å; V84-I291 HydrophobicContact CG2-CB 4.17Å; V84-I291 HydrophobicContact CG2-CG1 4.18Å; V84-I291 HydrophobicContact CG2-CG2 4.27Å
85K85.5Confident84.2Confident126 Ų12658.2 Ų58.255%0.54831%0.309SS..Hα-helixtrans-63.9-28.6179.5-171.6-179.9175.6-171.20113.8K81 E82 L83 V87K81-K85 WeakPolarHBondContact O-CB 3.35Å; K81-K85 PolarHBondContact O-N 3.48Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 IonicContact OE1-NZ 3.96Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 2.94Å; K85-V87 VanDerWaalsContact C-N 3.3Å
86L81.3Confident84.8Confident23 Ų2359.2 Ų59.212%0.1232%0.316CS..Hα-helixtrans-69.2-29.9172.5-74.7-176.2000112.8L48 L52 E82 L83 V84L48-L86 HydrophobicContact CB-CD2 4.45Å; L48-L86 HydrophobicContact CD2-CD2 4.43Å; L52-L86 HydrophobicContact CB-CD1 4.07Å; L52-L86 HydrophobicContact CD1-CD1 3.38Å; L52-L86 HydrophobicContact CD1-CG 4.17Å; L52-L86 HydrophobicContact CG-CD1 4.35Å; E82-L86 WeakPolarHBondContact O-CG 3.35Å; E82-L86 PolarHBondContact O-N 3.34Å; L83-L86 PolarHBondContact O-N 3.33Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 3.37Å
87V80.7Confident85.5Confident2 Ų259.5 Ų59.51%0.01232%0.322CS..Hα-helixtrans-99.5-24.1-173.1-168.30000111.9L83 V84 K85 P89 L260 V263 I270 F285 T287 I291L83-V87 WeakPolarHBondContact O-CG2 3.4Å; L83-V87 PolarHBondContact O-N 3.15Å; V84-V87 CarbonylContact O-C 3.54Å; V84-V87 PolarHBondContact O-N 2.89Å; K85-V87 VanDerWaalsContact C-N 3.3Å; V87-P89 WeakPolarHBondContact O-CD 3.21Å; V87-L260 HydrophobicContact CB-CD2 4.02Å; V87-L260 HydrophobicContact CG1-CD2 4.2Å; V87-L260 HydrophobicContact CG2-CD2 3.16Å; V87-V263 WeakPolarHBondContact O-CG1 3.09Å; V87-I270 HydrophobicContact CG1-CD1 4.42Å; V87-F285 HydrophobicContact CG1-CE1 3.97Å; V87-F285 HydrophobicContact CG1-CZ 3.7Å; V87-T287 HydrophobicContact CB-CG2 3.59Å; V87-T287 HydrophobicContact CG1-CG2 3.77Å; V87-T287 HydrophobicContact CG2-CG2 4.39Å; V87-I291 HydrophobicContact CG2-CD1 3.73Å; V87-I291 HydrophobicContact CG2-CG1 4.2Å
88D82.9Confident85.8Confident75 Ų7558.5 Ų58.540%0.40132%0.316SS..  trans-95.8111.9-178.9-169.4-6.3000110.4V84 G90 T287V84-D88 HydrophobicContact CG1-CB 4.41Å; V84-D88 VanDerWaalsContact O-CB 3.32Å; V84-D88 WeakPolarHBondContact O-CB 3.2Å; V84-D88 PolarHBondContact O-N 2.96Å; D88-G90 PolarHBondContact O-N 3.33Å; D88-G90 PolarHBondContact OD1-N 2.87Å; D88-T287 HydrophobicContact CB-CG2 4.26Å
89P79.1Confident85.8Confident35 Ų3561 Ų6123%0.22735%0.345CS..  trans-75.9-6175.931.1-32.4000113.2V87 V91 V263 K267 P269V87-P89 WeakPolarHBondContact O-CD 3.21Å; P89-V91 HydrophobicContact CB-CG2 4.46Å; P89-V91 HydrophobicContact CG-CB 4.41Å; P89-V91 PolarHBondContact O-N 3.36Å; P89-V263 HydrophobicContact CB-CG1 4.05Å; P89-V263 HydrophobicContact CG-CG1 4.08Å; P89-K267 WeakPolarHBondContact CB-O 3.25Å; P89-P269 HydrophobicContact CG-CB 3.94Å
90G80.1Confident86.2Confident69 Ų6967.5 Ų67.571%0.71137%0.373SS*.SBendtrans738.3-174.900000113.9D88D88-G90 PolarHBondContact O-N 3.33Å; D88-G90 PolarHBondContact OD1-N 2.87Å
91V82.1Confident86.6Confident76 Ų7668.7 Ų68.746%0.46138%0.381SS..PPolyproline II helixtrans-102.7130.1179.1-179.70000108.7P89 A93P89-V91 HydrophobicContact CB-CG2 4.46Å; P89-V91 HydrophobicContact CG-CB 4.41Å; P89-V91 PolarHBondContact O-N 3.36Å; V91-A93 PolarHBondContact O-N 2.97Å
92K83.4Confident87.1Confident199 Ų19962.6 Ų62.687%0.86535%0.354SS*.PPolyproline II helixtrans-66.9134.8175.3-71.7-174.4179.2-179.90109.9
93A86.1Confident87.5Confident45 Ų4561.9 Ų61.937%0.37235%0.351SS..PPolyproline II helixtrans-57.1139.8171.400000110.7V91 T95 P269 I271V91-A93 PolarHBondContact O-N 2.97Å; A93-T95 PolarHBondContact O-N 3.5Å; A93-P269 HydrophobicContact CB-CG 4.2Å; A93-I271 HydrophobicContact CB-CG2 3.64Å
94W90.6Very high88.2Confident62 Ų6261.8 Ų61.824%0.23535%0.351CS..PPolyproline II helixtrans-60.8136.7171173.794.1000110P96 N102 I104 D215 N216W94-P96 HydrophobicContact CH2-CB 3.62Å; W94-P96 HydrophobicContact CH2-CG 4.44Å; W94-P96 HydrophobicContact CZ2-CB 4.28Å; W94-P96 HydrophobicContact CZ3-CB 3.97Å; W94-P96 HydrophobicContact CZ3-CG 4.3Å; W94-N102 HydrophobicContact CH2-CB 3.75Å; W94-N102 HydrophobicContact CZ2-CB 3.87Å; W94-I104 HydrophobicContact CH2-CD1 3.84Å; W94-I104 HydrophobicContact CH2-CG1 3.85Å; W94-I104 HydrophobicContact CZ3-CD1 3.72Å; W94-I104 HydrophobicContact CZ3-CG1 4.05Å; W94-D215 HydrophobicContact CZ2-CB 3.81Å; W94-D215 PolarHBondContact NE1-O 2.8Å; W94-N216 HydrophobicContact CB-CB 4.45Å; W94-N216 HydrophobicContact CD2-CB 3.62Å; W94-N216 HydrophobicContact CE3-CB 3.78Å; W94-N216 HydrophobicContact CG-CB 3.93Å; W94-N216 HydrophobicContact CH2-CB 4.44Å; W94-N216 HydrophobicContact CZ2-CB 4.33Å; W94-N216 HydrophobicContact CZ3-CB 4.2Å
95T90.5Very high88.7Confident104 Ų10460.9 Ų60.964%0.63835%0.346SS*.  trans-121.5130.9177.654.40000110.4A93A93-T95 PolarHBondContact O-N 3.5Å
96P93.7Very high89.2Confident22 Ų2254.9 Ų54.914%0.14332%0.319CS..PPolyproline II helixtrans-64.7148.1177.927.2-33.6000111W94 N102 Y125 W130 I186W94-P96 HydrophobicContact CH2-CB 3.62Å; W94-P96 HydrophobicContact CH2-CG 4.44Å; W94-P96 HydrophobicContact CZ2-CB 4.28Å; W94-P96 HydrophobicContact CZ3-CB 3.97Å; W94-P96 HydrophobicContact CZ3-CG 4.3Å; P96-N102 WeakPolarHBondContact CA-OD1 3.36Å; P96-N102 HydrophobicContact CB-CB 4.3Å; P96-Y125 HydrophobicContact CG-CE1 3.7Å; P96-W130 HydrophobicContact CB-CH2 3.79Å; P96-W130 HydrophobicContact CB-CZ2 4.45Å; P96-W130 HydrophobicContact CB-CZ3 3.95Å; P96-W130 HydrophobicContact CG-CH2 3.88Å; P96-W130 HydrophobicContact CG-CZ2 4.05Å; P96-W130 HydrophobicContact CG-CZ3 4.4Å; P96-I186 HydrophobicContact CB-CD1 3.6Å; P96-I186 HydrophobicContact CG-CD1 4.17Å
97T93.8Very high89.8Confident69 Ų6953.8 Ų53.842%0.42331%0.314SS..PPolyproline II helixtrans-101.5125.4176.9-570000110.2K100 N102T97-K100 HydrophobicContact CG2-CD 3.95Å; T97-K100 HydrophobicContact CG2-CG 4.22Å; T97-K100 PolarHBondContact O-N 3.31Å; T97-N102 PolarHBondContact N-OD1 3.46Å; T97-N102 PolarHBondContact O-ND2 3.02Å
98K89.8Confident90.3Very high98 Ų9853.8 Ų53.843%0.42631%0.314SS..THydrogen-bonded Turntrans-62.9144.6176.4-89.8-65.6-173.7-174.40111.5K100 G129 W130 E185K98-K100 PolarHBondContact O-N 3.32Å; K98-G129 PolarHBondContact NZ-O 3.17Å; K98-W130 HydrophobicContact CB-CH2 4.12Å; K98-W130 HydrophobicContact CB-CZ3 4.34Å; K98-W130 HydrophobicContact CD-CD2 3.89Å; K98-W130 HydrophobicContact CD-CE3 3.71Å; K98-W130 HydrophobicContact CD-CH2 3.71Å; K98-W130 HydrophobicContact CD-CZ2 3.85Å; K98-W130 HydrophobicContact CD-CZ3 3.63Å; K98-W130 VanDerWaalsContact CE-CD2 3.41Å; K98-W130 HydrophobicContact CG-CE3 4.43Å; K98-W130 HydrophobicContact CG-CH2 3.49Å; K98-W130 VanDerWaalsContact CG-CH2 3.49Å; K98-W130 HydrophobicContact CG-CZ2 3.69Å; K98-W130 HydrophobicContact CG-CZ3 3.88Å; K98-W130 VanDerWaalsContact NZ-CA 3.34Å; K98-W130 VanDerWaalsContact NZ-CD2 3.29Å; K98-W130 VanDerWaalsContact NZ-CG 3.29Å; K98-E185 VanDerWaalsContact CD-OE1 3.24Å; K98-E185 WeakPolarHBondContact CD-OE1 3.48Å; K98-E185 IonicContact NZ-OE1 3.66Å; K98-E185 IonicContact NZ-OE2 3.52Å; K98-E185 PolarHBondContact NZ-OE2 3.49Å
99G86.5Confident90.6Very high69 Ų6951.4 Ų51.471%0.71130%0.301SS*.THydrogen-bonded Turntrans72.45.118000000115.3E185G99-E185 PolarHBondContact N-OE1 3.03Å
100K93.2Very high90.9Very high136 Ų13657.2 Ų57.259%0.59133%0.325SS*.SBendtrans-117155.5171.1-66.6-171.9178.7-177.40110.1T97 K98 N102 E185T97-K100 HydrophobicContact CG2-CD 3.95Å; T97-K100 HydrophobicContact CG2-CG 4.22Å; T97-K100 PolarHBondContact O-N 3.31Å; K98-K100 PolarHBondContact O-N 3.32Å; K100-N102 PolarHBondContact O-N 3.25Å; K100-N102 PolarHBondContact O-ND2 3.22Å; K100-E185 WeakPolarHBondContact O-CA 3.47Å
101N94.6Very high91.3Very high60 Ų6056.4 Ų56.432%0.32132%0.317SS..  trans-77.1115.1169.2-48101.2000108.2K180 F184 I187N101-K180 HydrophobicContact CB-CG 4.03Å; N101-F184 PolarHBondContact ND2-O 3.47Å; N101-I187 HydrophobicContact CB-CD1 4.21Å
102N97.1Very high91.6Very high6 Ų653 Ų533%0.03230%0.296CS..EExtended strand (participates in β ladder)trans-103.9112.1175.7-53.5-96.5000108.2W94 P96 T97 K100 E185 I186 I187 D215W94-N102 HydrophobicContact CH2-CB 3.75Å; W94-N102 HydrophobicContact CZ2-CB 3.87Å; P96-N102 WeakPolarHBondContact CA-OD1 3.36Å; P96-N102 HydrophobicContact CB-CB 4.3Å; T97-N102 PolarHBondContact N-OD1 3.46Å; T97-N102 PolarHBondContact O-ND2 3.02Å; K100-N102 PolarHBondContact O-N 3.25Å; K100-N102 PolarHBondContact O-ND2 3.22Å; N102-E185 WeakPolarHBondContact CA-O 3.39Å; N102-E185 VanDerWaalsContact CB-O 3.31Å; N102-E185 WeakPolarHBondContact CB-O 3.36Å; N102-E185 PolarHBondContact N-O 3.36Å; N102-E185 PolarHBondContact ND2-O 3.11Å; N102-I186 HydrophobicContact CB-CD1 4.04Å; N102-I187 PolarHBondContact O-N 3.41Å; N102-D215 WeakPolarHBondContact CA-OD2 3.23Å
103V97.4Very high92.1Very high2 Ų244.4 Ų44.41%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-95.4120-179.3-176.90000109.2V176 I187 V189 V212 P214 D215 N216V103-V176 HydrophobicContact CG1-CG2 4.17Å; V103-V176 HydrophobicContact CG2-CG1 3.99Å; V103-I187 WeakPolarHBondContact CA-O 3.47Å; V103-I187 HydrophobicContact CG2-CB 4.39Å; V103-I187 HydrophobicContact CG2-CD1 4.33Å; V103-V189 HydrophobicContact CG1-CG2 4.37Å; V103-V212 HydrophobicContact CG1-CB 4.44Å; V103-V212 HydrophobicContact CG1-CG2 4.37Å; V103-P214 HydrophobicContact CG1-CB 4.25Å; V103-P214 CarbonylContact O-C 3.42Å; V103-D215 PolarHBondContact N-OD2 3.31Å; V103-D215 PolarHBondContact O-N 3.46Å; V103-N216 PolarHBondContact O-N 2.99Å
104I97.7Very high92.4Very high1 Ų142.9 Ų42.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-118.2117.6-177.2-50.5175000108.7W94 F106 L121 I186 I187 I188 V189 N216 V218W94-I104 HydrophobicContact CH2-CD1 3.84Å; W94-I104 HydrophobicContact CH2-CG1 3.85Å; W94-I104 HydrophobicContact CZ3-CD1 3.72Å; W94-I104 HydrophobicContact CZ3-CG1 4.05Å; I104-F106 HydrophobicContact CG2-CD2 4.04Å; I104-F106 HydrophobicContact CG2-CE2 3.67Å; I104-L121 HydrophobicContact CD1-CD2 4.22Å; I104-I186 HydrophobicContact CD1-CG2 4.14Å; I104-I187 PolarHBondContact N-O 2.85Å; I104-I188 HydrophobicContact CB-CG1 4.34Å; I104-I188 HydrophobicContact CD1-CG1 4.43Å; I104-I188 WeakPolarHBondContact O-CA 3.32Å; I104-V189 PolarHBondContact O-N 3.29Å; I104-N216 WeakPolarHBondContact CA-O 3.27Å; I104-N216 HydrophobicContact CG2-CB 4.47Å; I104-V218 HydrophobicContact CG2-CG2 3.56Å
105M97Very high92.7Very high0 Ų040.3 Ų40.30%024%0.241CC..EExtended strand (participates in β ladder)trans-101.2127.5179.5-176.4-177.1174.800110.5V107 T191 M205 V208 P214 N216 I217 V218M105-V107 HydrophobicContact CE-CG1 3.92Å; M105-V107 HydrophobicContact CG-CG1 4.22Å; M105-V107 HydrophobicContact SD-CG1 4.46Å; M105-T191 HydrophobicContact CE-CG2 3.69Å; M105-T191 HydrophobicContact CG-CG2 4.05Å; M105-M205 HydrophobicContact CE-CG 3.66Å; M105-M205 WeakPolarHBondContact CE-O 3.34Å; M105-V208 HydrophobicContact CE-CB 4.04Å; M105-V208 HydrophobicContact CE-CG1 3.82Å; M105-V208 HydrophobicContact SD-CG1 4.41Å; M105-P214 HydrophobicContact CB-CB 3.77Å; M105-P214 HydrophobicContact CB-CG 4.01Å; M105-P214 HydrophobicContact SD-CG 4.24Å; M105-N216 PolarHBondContact N-O 3.28Å; M105-I217 HydrophobicContact CB-CG1 4.39Å; M105-I217 WeakPolarHBondContact O-CA 3.31Å; M105-V218 PolarHBondContact O-N 2.83Å
106F96.4Very high92.9Very high0 Ų037.7 Ų37.70%022%0.224CC..EExtended strand (participates in β ladder)trans-98.3125.7179.6-86.3-120.2000110.7I104 T117 C118 L121 I188 V189 T191 V218 V220 I246I104-F106 HydrophobicContact CG2-CD2 4.04Å; I104-F106 HydrophobicContact CG2-CE2 3.67Å; F106-T117 HydrophobicContact CE1-CG2 3.72Å; F106-T117 HydrophobicContact CZ-CG2 4.49Å; F106-C118 WeakPolarHBondContact CD1-SG 3.47Å; F106-C118 WeakPolarHBondContact CG-SG 3.42Å; F106-L121 HydrophobicContact CE2-CD2 3.71Å; F106-L121 HydrophobicContact CZ-CB 4.21Å; F106-L121 HydrophobicContact CZ-CD2 3.49Å; F106-L121 VanDerWaalsContact CZ-CD2 3.49Å; F106-L121 HydrophobicContact CZ-CG 4.44Å; F106-I188 HydrophobicContact CD2-CG2 3.8Å; F106-I188 HydrophobicContact CE2-CG2 3.76Å; F106-V189 PolarHBondContact N-O 2.76Å; F106-T191 WeakPolarHBondContact O-CB 3.48Å; F106-T191 WeakPolarHBondContact O-CG2 3.31Å; F106-T191 PolarHBondContact O-OG1 2.85Å; F106-V218 HydrophobicContact CD2-CB 4.32Å; F106-V218 HydrophobicContact CE1-CG1 4.29Å; F106-V218 HydrophobicContact CE2-CB 4.28Å; F106-V218 HydrophobicContact CE2-CG2 4.25Å; F106-V218 HydrophobicContact CZ-CB 4.43Å; F106-V218 HydrophobicContact CZ-CG1 4.33Å; F106-V220 HydrophobicContact CD1-CG2 3.36Å; F106-V220 HydrophobicContact CE1-CG2 3.73Å; F106-V220 HydrophobicContact CG-CG2 4.36Å; F106-I246 HydrophobicContact CE1-CD1 4.11Å; F106-I246 HydrophobicContact CZ-CD1 4.1Å
107V93.8Very high93Very high0 Ų036.9 Ų36.90%022%0.219CC..EExtended strand (participates in β ladder)trans-130.4159.7-179.9-58.60000110.9M105 M205 I217 V218 Y219 V220 F236 V242M105-V107 HydrophobicContact CE-CG1 3.92Å; M105-V107 HydrophobicContact CG-CG1 4.22Å; M105-V107 HydrophobicContact SD-CG1 4.46Å; V107-M205 HydrophobicContact CB-SD 3.81Å; V107-M205 HydrophobicContact CG1-CG 4.05Å; V107-M205 HydrophobicContact CG1-SD 3.5Å; V107-M205 VanDerWaalsContact CG1-SD 3.5Å; V107-I217 HydrophobicContact CG1-CG2 3.99Å; V107-I217 HydrophobicContact CG2-CG2 3.67Å; V107-V218 PolarHBondContact N-O 2.97Å; V107-Y219 HydrophobicContact CG2-CD2 4.4Å; V107-Y219 WeakPolarHBondContact O-CA 3.1Å; V107-V220 PolarHBondContact O-N 3.31Å; V107-F236 HydrophobicContact CB-CD1 4.19Å; V107-F236 HydrophobicContact CB-CE1 4.24Å; V107-F236 HydrophobicContact CG2-CD1 4.12Å; V107-V242 HydrophobicContact CG2-CG2 4.35Å
108G91.4Very high93.2Very high1 Ų133.6 Ų33.61%0.0120%0.199CC..  trans145.3176.817700000113.9K114 G193 R194G108-K114 PolarHBondContact O-NZ 3.06Å; G108-G193 WeakPolarHBondContact O-CA 3.29Å; G108-R194 PolarHBondContact O-N 3.06Å
109L88.1Confident93.5Very high25 Ų2529 Ų2913%0.13118%0.179CC..  trans-62158.2-174.1-62.2-171.1000113.3G111 S112 K114 R194 I225 Q232 F236L109-G111 PolarHBondContact O-N 3.3Å; L109-S112 WeakPolarHBondContact O-CB 3.41Å; L109-S112 PolarHBondContact O-N 3.44Å; L109-S112 PolarHBondContact O-OG 2.65Å; L109-K114 PolarHBondContact O-NZ 3.03Å; L109-R194 WeakPolarHBondContact CD2-O 3.44Å; L109-I225 HydrophobicContact CD1-CD1 3.42Å; L109-I225 VanDerWaalsContact CD1-CD1 3.42Å; L109-I225 HydrophobicContact CD1-CG1 4.35Å; L109-I225 HydrophobicContact CG-CD1 4.45Å; L109-Q232 HydrophobicContact CD1-CG 4.1Å; L109-Q232 HydrophobicContact CD2-CG 4.48Å; L109-F236 HydrophobicContact CD2-CE2 3.92Å; L109-F236 HydrophobicContact CD2-CZ 4.43Å
110Q86.8Confident94Very high158 Ų15826.1 Ų26.174%0.73815%0.147SC*.THydrogen-bonded Turntrans-57.5136.4168.4-170.3179.91.300110.2S112Q110-S112 PolarHBondContact O-N 3.28Å
111G87.3Confident94.2Very high52 Ų5219.7 Ų19.754%0.53612%0.119SC..THydrogen-bonded Turntrans74.53.6179.500000115.7L109 G113 K249L109-G111 PolarHBondContact O-N 3.3Å; G111-G113 PolarHBondContact O-N 2.7Å; G111-K249 WeakPolarHBondContact O-CE 3.46Å; G111-K249 PolarHBondContact O-NZ 3.1Å
112S89.7Confident94.3Very high3 Ų316.8 Ų16.82%0.02110%0.104CC..SBendtrans-72.3-5.9178.573.60000114.6L109 Q110 V220 T248L109-S112 WeakPolarHBondContact O-CB 3.41Å; L109-S112 PolarHBondContact O-N 3.44Å; L109-S112 PolarHBondContact O-OG 2.65Å; Q110-S112 PolarHBondContact O-N 3.28Å; S112-V220 VanDerWaalsContact CB-O 3.28Å; S112-V220 WeakPolarHBondContact CB-O 3.33Å; S112-V220 WeakPolarHBondContact O-CG1 3.37Å; S112-V220 PolarHBondContact OG-O 3.49Å; S112-T248 WeakPolarHBondContact O-CG2 3.36Å; S112-T248 PolarHBondContact O-OG1 3.3Å
113G92Very high94.3Very high20 Ų2019.7 Ų19.721%0.20612%0.115CC..SBendtrans93.219.8177.700000115.3G111 T116 T117G111-G113 PolarHBondContact O-N 2.7Å; G113-T116 PolarHBondContact O-N 2.83Å; G113-T117 WeakPolarHBondContact O-CB 3.3Å; G113-T117 PolarHBondContact O-N 3.42Å; G113-T117 PolarHBondContact O-OG1 3.14Å
114K94.3Very high94.1Very high13 Ų1321.5 Ų21.56%0.05712%0.121CC..Hα-helixtrans-49.9-64.7179.1-69.5-174.3-61.7-66.30113.7G108 L109 T116 T117 C118 D190 T191 S192 V220G108-K114 PolarHBondContact O-NZ 3.06Å; L109-K114 PolarHBondContact O-NZ 3.03Å; K114-T116 VanDerWaalsContact C-N 3.27Å; K114-T116 PolarHBondContact O-N 2.85Å; K114-T117 CarbonylContact O-C 3.51Å; K114-T117 WeakPolarHBondContact O-CA 3.43Å; K114-T117 WeakPolarHBondContact O-CB 3.38Å; K114-T117 PolarHBondContact O-N 3.35Å; K114-C118 PolarHBondContact O-N 3.46Å; K114-C118 PolarHBondContact O-SG 3.43Å; K114-D190 WeakPolarHBondContact CB-OD1 3.43Å; K114-T191 WeakPolarHBondContact CE-O 3.42Å; K114-S192 WeakPolarHBondContact CE-O 3.33Å; K114-V220 HydrophobicContact CG-CB 3.94Å; K114-V220 HydrophobicContact CG-CG1 4.49Å; K114-V220 HydrophobicContact CG-CG2 4.18Å
115T94.9Very high94Very high8 Ų822.5 Ų22.55%0.04913%0.125CC..Hα-helixtrans-53.3-42-177.7-48.40000113.5S119 R141 Q147 L148 D190T115-S119 PolarHBondContact O-N 2.95Å; T115-S119 PolarHBondContact O-OG 3.31Å; T115-R141 PolarHBondContact OG1-NH2 2.84Å; T115-Q147 HydrophobicContact CG2-CG 4.24Å; T115-L148 HydrophobicContact CG2-CB 3.86Å; T115-L148 HydrophobicContact CG2-CD1 4.39Å; T115-L148 HydrophobicContact CG2-CG 4.46Å; T115-D190 VanDerWaalsContact CA-OD2 3.27Å; T115-D190 WeakPolarHBondContact CA-OD2 3.39Å; T115-D190 WeakPolarHBondContact CB-OD2 3.26Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.41Å; T115-D190 PolarHBondContact N-OD1 2.86Å; T115-D190 PolarHBondContact OG1-OD2 2.92Å
116T94.8Very high93.9Very high48 Ų4825.4 Ų25.429%0.29414%0.139SC..Hα-helixtrans-64.6-48.4175.7-49.10000110.3G113 K114 C118 S119 K120G113-T116 PolarHBondContact O-N 2.83Å; K114-T116 VanDerWaalsContact C-N 3.27Å; K114-T116 PolarHBondContact O-N 2.85Å; T116-C118 PolarHBondContact O-N 2.98Å; T116-S119 WeakPolarHBondContact O-CB 3.4Å; T116-S119 PolarHBondContact O-N 3.28Å; T116-S119 VanDerWaalsContact O-N 3.16Å; T116-K120 WeakPolarHBondContact O-CG 3.42Å; T116-K120 PolarHBondContact O-N 3.24Å
117T96.8Very high93.7Very high5 Ų533.8 Ų33.83%0.03117%0.171CC..Hα-helixtrans-64.6-37.6-179.1-50.50000112.2F106 G113 K114 S119 K120 L121 I246 T248 L282F106-T117 HydrophobicContact CE1-CG2 3.72Å; F106-T117 HydrophobicContact CZ-CG2 4.49Å; G113-T117 WeakPolarHBondContact O-CB 3.3Å; G113-T117 PolarHBondContact O-N 3.42Å; G113-T117 PolarHBondContact O-OG1 3.14Å; K114-T117 CarbonylContact O-C 3.51Å; K114-T117 WeakPolarHBondContact O-CA 3.43Å; K114-T117 WeakPolarHBondContact O-CB 3.38Å; K114-T117 PolarHBondContact O-N 3.35Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 3.48Å; T117-K120 PolarHBondContact O-N 2.97Å; T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 3.46Å; T117-I246 HydrophobicContact CG2-CB 4.4Å; T117-I246 HydrophobicContact CG2-CD1 3.79Å; T117-I246 HydrophobicContact CG2-CG2 3.7Å; T117-T248 VanDerWaalsContact OG1-CG2 3.31Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.32Å; T117-L282 HydrophobicContact CG2-CD1 4.36Å
118C97.2Very high93.5Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-54.9-48.5172.5-65.60000110.6F106 K114 T116 K120 L121 A122 L134 I188 D190F106-C118 WeakPolarHBondContact CD1-SG 3.47Å; F106-C118 WeakPolarHBondContact CG-SG 3.42Å; K114-C118 PolarHBondContact O-N 3.46Å; K114-C118 PolarHBondContact O-SG 3.43Å; T116-C118 PolarHBondContact O-N 2.98Å; C118-K120 PolarHBondContact O-N 3.48Å; C118-L121 PolarHBondContact O-N 3.45Å; C118-A122 WeakPolarHBondContact O-CB 3.37Å; C118-A122 PolarHBondContact O-N 2.79Å; C118-L134 HydrophobicContact CB-CD2 3.87Å; C118-I188 HydrophobicContact CB-CG2 3.73Å; C118-D190 HydrophobicContact CB-CB 4.43Å; C118-D190 PolarHBondContact SG-OD1 3.21Å
119S96.8Very high93.6Very high3 Ų341.5 Ų41.52%0.02122%0.22CC..Hα-helixtrans-65-41.1-180-53.30000112.1T115 T116 T117 Y123 N151T115-S119 PolarHBondContact O-N 2.95Å; T115-S119 PolarHBondContact O-OG 3.31Å; T116-S119 WeakPolarHBondContact O-CB 3.4Å; T116-S119 PolarHBondContact O-N 3.28Å; T116-S119 VanDerWaalsContact O-N 3.16Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 3.48Å; S119-Y123 WeakPolarHBondContact O-CB 3.47Å; S119-Y123 PolarHBondContact O-N 2.97Å; S119-N151 WeakPolarHBondContact OG-CB 3.49Å
120K97.1Very high94Very high7 Ų741.9 Ų41.93%0.0322%0.22CC..Hα-helixtrans-65-44175.9-64-171.1-169.9-147.60112.4T116 T117 C118 Y123 Y124 G276 H278 I279 D281 L282T116-K120 WeakPolarHBondContact O-CG 3.42Å; T116-K120 PolarHBondContact O-N 3.24Å; T117-K120 PolarHBondContact O-N 2.97Å; C118-K120 PolarHBondContact O-N 3.48Å; K120-Y123 PolarHBondContact O-N 2.55Å; K120-Y124 WeakPolarHBondContact O-CB 3.47Å; K120-Y124 PolarHBondContact O-N 2.82Å; K120-G276 PolarHBondContact NZ-O 3.46Å; K120-H278 WeakPolarHBondContact CE-O 3.2Å; K120-H278 PolarHBondContact NZ-O 2.67Å; K120-I279 WeakPolarHBondContact CG-O 3.45Å; K120-D281 PolarHBondContact NZ-O 3.26Å; K120-L282 HydrophobicContact CB-CB 3.86Å; K120-L282 HydrophobicContact CB-CD2 3.81Å; K120-L282 HydrophobicContact CB-CG 4.3Å; K120-L282 HydrophobicContact CD-CB 3.96Å
121L96.8Very high94.4Very high1 Ų139 Ų391%0.00521%0.205CC..Hα-helixtrans-65.5-42.5179.8-172.370.4000110.7I104 F106 T117 C118 Y123 Y124 Y125 I188 F272 L282I104-L121 HydrophobicContact CD1-CD2 4.22Å; F106-L121 HydrophobicContact CE2-CD2 3.71Å; F106-L121 HydrophobicContact CZ-CB 4.21Å; F106-L121 HydrophobicContact CZ-CD2 3.49Å; F106-L121 VanDerWaalsContact CZ-CD2 3.49Å; F106-L121 HydrophobicContact CZ-CG 4.44Å; T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 3.46Å; C118-L121 PolarHBondContact O-N 3.45Å; L121-Y123 PolarHBondContact O-N 3.25Å; L121-Y124 WeakPolarHBondContact O-CB 3.42Å; L121-Y124 PolarHBondContact O-N 3.26Å; L121-Y125 HydrophobicContact CD1-CD2 4.05Å; L121-Y125 HydrophobicContact CD1-CE2 3.53Å; L121-Y125 HydrophobicContact CD2-CE2 4.09Å; L121-Y125 HydrophobicContact CG-CD2 3.88Å; L121-Y125 HydrophobicContact CG-CE2 3.68Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.39Å; L121-Y125 PolarHBondContact O-N 3.37Å; L121-I188 HydrophobicContact CB-CD1 4.25Å; L121-I188 HydrophobicContact CD2-CD1 4.16Å; L121-I188 HydrophobicContact CG-CD1 4.26Å; L121-F272 HydrophobicContact CD1-CD2 3.79Å; L121-F272 HydrophobicContact CD1-CE2 3.45Å; L121-F272 VanDerWaalsContact CD1-CE2 3.45Å; L121-F272 HydrophobicContact CD1-CG 4.5Å; L121-F272 HydrophobicContact CD1-CZ 3.87Å; L121-L282 HydrophobicContact CB-CD2 4.2Å; L121-L282 HydrophobicContact CD1-CD2 4.15Å
122A96.9Very high94.9Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-59.9-46.8174.700000110.8C118 Y124 Y125 Q126 T132 L134 I157 I188C118-A122 WeakPolarHBondContact O-CB 3.37Å; C118-A122 PolarHBondContact O-N 2.79Å; A122-Y124 PolarHBondContact O-N 2.87Å; A122-Y125 PolarHBondContact O-N 2.96Å; A122-Q126 WeakPolarHBondContact O-CB 3.39Å; A122-Q126 PolarHBondContact O-N 3.33Å; A122-T132 WeakPolarHBondContact O-CG2 3.33Å; A122-L134 HydrophobicContact CB-CD1 4.42Å; A122-L134 HydrophobicContact CB-CD2 3.9Å; A122-L134 HydrophobicContact CB-CG 4.11Å; A122-I157 HydrophobicContact CB-CD1 3.5Å; A122-I157 VanDerWaalsContact CB-CD1 3.5Å; A122-I157 HydrophobicContact CB-CG2 4.19Å; A122-I188 HydrophobicContact CB-CD1 3.66Å
123Y96.3Very high95.3Very high67 Ų6736.5 Ų36.526%0.26318%0.179SC..Hα-helixtrans-63-40.3177-177.8-112.2000112.9S119 K120 L121 Y125 Q126 R127 A155 I279 D280S119-Y123 WeakPolarHBondContact O-CB 3.47Å; S119-Y123 PolarHBondContact O-N 2.97Å; K120-Y123 PolarHBondContact O-N 2.55Å; L121-Y123 PolarHBondContact O-N 3.25Å; Y123-Y125 PolarHBondContact O-N 3.5Å; Y123-Q126 PolarHBondContact O-N 3.04Å; Y123-R127 HydrophobicContact CE1-CG 4.25Å; Y123-R127 HydrophobicContact CE2-CG 4.24Å; Y123-R127 WeakPolarHBondContact O-CG 3.47Å; Y123-R127 PolarHBondContact O-N 2.93Å; Y123-A155 HydrophobicContact CD2-CB 4.42Å; Y123-I279 HydrophobicContact CD1-CG1 4.04Å; Y123-I279 HydrophobicContact CD1-CG2 4.02Å; Y123-I279 HydrophobicContact CD2-CD1 4.44Å; Y123-I279 HydrophobicContact CE1-CG2 4Å; Y123-I279 HydrophobicContact CG-CD1 4.09Å; Y123-I279 HydrophobicContact CG-CG1 3.98Å; Y123-I279 HydrophobicContact CG-CG2 4.48Å; Y123-D280 HydrophobicContact CE1-CB 4.41Å
124Y95.2Very high95.6Very high39 Ų3935.6 Ų35.615%0.15317%0.169CC..Hα-helixtrans-57.2-49175.2175-92.9000112K120 L121 A122 K128 F272K120-Y124 WeakPolarHBondContact O-CB 3.47Å; K120-Y124 PolarHBondContact O-N 2.82Å; L121-Y124 WeakPolarHBondContact O-CB 3.42Å; L121-Y124 PolarHBondContact O-N 3.26Å; A122-Y124 PolarHBondContact O-N 2.87Å; Y124-K128 HydrophobicContact CD1-CD 4.43Å; Y124-K128 HydrophobicContact CE1-CD 3.83Å; Y124-K128 VanDerWaalsContact CZ-CE 3.42Å; Y124-K128 VanDerWaalsContact CZ-NZ 3.35Å; Y124-K128 PolarHBondContact O-N 2.88Å; Y124-K128 WeakPolarHBondContact OH-CE 3.42Å; Y124-K128 PolarHBondContact OH-NZ 3.46Å; Y124-F272 HydrophobicContact CD1-CE1 4.02Å; Y124-F272 AromaticContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD2-CE1 4.26Å; Y124-F272 AromaticContact CE1-CE1 3.71Å; Y124-F272 HydrophobicContact CE1-CE1 3.71Å; Y124-F272 AromaticContact CE1-CZ 3.55Å; Y124-F272 HydrophobicContact CE1-CZ 3.55Å; Y124-F272 AromaticContact CE2-CE1 3.97Å; Y124-F272 HydrophobicContact CE2-CE1 3.97Å; Y124-F272 HydrophobicContact CG-CE1 4.27Å; Y124-F272 AromaticContact CZ-CE1 3.64Å; Y124-F272 AromaticContact CZ-CZ 3.93Å
125Y95.7Very high95.8Very high22 Ų2235 Ų359%0.08617%0.167CC..Hα-helixtrans-71.8-33.6177.6-75.2-63000112.6P96 L121 A122 Y123 R127 K128 G129 W130 I186P96-Y125 HydrophobicContact CG-CE1 3.7Å; L121-Y125 HydrophobicContact CD1-CD2 4.05Å; L121-Y125 HydrophobicContact CD1-CE2 3.53Å; L121-Y125 HydrophobicContact CD2-CE2 4.09Å; L121-Y125 HydrophobicContact CG-CD2 3.88Å; L121-Y125 HydrophobicContact CG-CE2 3.68Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.39Å; L121-Y125 PolarHBondContact O-N 3.37Å; A122-Y125 PolarHBondContact O-N 2.96Å; Y123-Y125 PolarHBondContact O-N 3.5Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-R127 PolarHBondContact O-N 3.34Å; Y125-K128 CarbonylContact O-C 3.42Å; Y125-K128 WeakPolarHBondContact O-CA 3.43Å; Y125-K128 WeakPolarHBondContact O-CB 3.29Å; Y125-K128 PolarHBondContact O-N 3.22Å; Y125-G129 PolarHBondContact O-N 3.35Å; Y125-W130 HydrophobicContact CD1-CG 4.33Å; Y125-W130 WeakPolarHBondContact O-CB 3.24Å; Y125-W130 PolarHBondContact O-N 2.9Å; Y125-I186 HydrophobicContact CD2-CG2 4.21Å; Y125-I186 HydrophobicContact CG-CG1 4.31Å
126Q94.6Very high95.9Very high62 Ų6234.8 Ų34.829%0.2917%0.166SC..Hα-helixtrans-59.7-44174.8-172.4-176.228.600111.3A122 Y123 K128 G129 T132 A155 R156A122-Q126 WeakPolarHBondContact O-CB 3.39Å; A122-Q126 PolarHBondContact O-N 3.33Å; Y123-Q126 PolarHBondContact O-N 3.04Å; Q126-K128 PolarHBondContact O-N 2.99Å; Q126-G129 PolarHBondContact O-N 3.25Å; Q126-T132 HydrophobicContact CB-CG2 4.45Å; Q126-A155 PolarHBondContact OE1-O 3.49Å; Q126-A155 VanDerWaalsContact OE1-O 3.1Å; Q126-R156 PolarHBondContact NE2-O 3.29Å
127R90.9Very high95.9Very high176 Ų17632.5 Ų32.566%0.66415%0.152SC*.Hα-helixtrans-61.8-27.6174.3-73.5-176.164.9-160.7-2.3113.2Y123 Y125 G129Y123-R127 HydrophobicContact CE1-CG 4.25Å; Y123-R127 HydrophobicContact CE2-CG 4.24Å; Y123-R127 WeakPolarHBondContact O-CG 3.47Å; Y123-R127 PolarHBondContact O-N 2.93Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-R127 PolarHBondContact O-N 3.34Å; R127-G129 PolarHBondContact O-N 2.7Å
128K90.5Very high95.7Very high105 Ų10532.9 Ų32.946%0.45715%0.154SC..THydrogen-bonded Turntrans-83.59173.3-68.7-173168-164.70113.5Y124 Y125 Q126Y124-K128 HydrophobicContact CD1-CD 4.43Å; Y124-K128 HydrophobicContact CE1-CD 3.83Å; Y124-K128 VanDerWaalsContact CZ-CE 3.42Å; Y124-K128 VanDerWaalsContact CZ-NZ 3.35Å; Y124-K128 PolarHBondContact O-N 2.88Å; Y124-K128 WeakPolarHBondContact OH-CE 3.42Å; Y124-K128 PolarHBondContact OH-NZ 3.46Å; Y125-K128 CarbonylContact O-C 3.42Å; Y125-K128 WeakPolarHBondContact O-CA 3.43Å; Y125-K128 WeakPolarHBondContact O-CB 3.29Å; Y125-K128 PolarHBondContact O-N 3.22Å; Q126-K128 PolarHBondContact O-N 2.99Å
129G92.5Very high95.3Very high57 Ų5734.3 Ų34.359%0.58816%0.162SC*.THydrogen-bonded Turntrans78.524.3176.900000114.3K98 Y125 Q126 R127K98-G129 PolarHBondContact NZ-O 3.17Å; Y125-G129 PolarHBondContact O-N 3.35Å; Q126-G129 PolarHBondContact O-N 3.25Å; R127-G129 PolarHBondContact O-N 2.7Å
130W96.6Very high94.7Very high34 Ų3440.8 Ų40.813%0.12919%0.191CC..  trans-91.7145.5173.5-60.971.8000111.6P96 K98 Y125 T132 E185 I186P96-W130 HydrophobicContact CB-CH2 3.79Å; P96-W130 HydrophobicContact CB-CZ2 4.45Å; P96-W130 HydrophobicContact CB-CZ3 3.95Å; P96-W130 HydrophobicContact CG-CH2 3.88Å; P96-W130 HydrophobicContact CG-CZ2 4.05Å; P96-W130 HydrophobicContact CG-CZ3 4.4Å; K98-W130 HydrophobicContact CB-CH2 4.12Å; K98-W130 HydrophobicContact CB-CZ3 4.34Å; K98-W130 HydrophobicContact CD-CD2 3.89Å; K98-W130 HydrophobicContact CD-CE3 3.71Å; K98-W130 HydrophobicContact CD-CH2 3.71Å; K98-W130 HydrophobicContact CD-CZ2 3.85Å; K98-W130 HydrophobicContact CD-CZ3 3.63Å; K98-W130 VanDerWaalsContact CE-CD2 3.41Å; K98-W130 HydrophobicContact CG-CE3 4.43Å; K98-W130 HydrophobicContact CG-CH2 3.49Å; K98-W130 VanDerWaalsContact CG-CH2 3.49Å; K98-W130 HydrophobicContact CG-CZ2 3.69Å; K98-W130 HydrophobicContact CG-CZ3 3.88Å; K98-W130 VanDerWaalsContact NZ-CA 3.34Å; K98-W130 VanDerWaalsContact NZ-CD2 3.29Å; K98-W130 VanDerWaalsContact NZ-CG 3.29Å; Y125-W130 HydrophobicContact CD1-CG 4.33Å; Y125-W130 WeakPolarHBondContact O-CB 3.24Å; Y125-W130 PolarHBondContact O-N 2.9Å; W130-T132 HydrophobicContact CB-CG2 4.14Å; W130-T132 PolarHBondContact O-N 3.47Å; W130-E185 WeakPolarHBondContact CA-OE2 3.36Å; W130-E185 HydrophobicContact CE3-CB 3.82Å; W130-E185 HydrophobicContact CZ3-CB 4.38Å; W130-I186 HydrophobicContact CB-CG1 3.94Å; W130-I186 HydrophobicContact CD2-CD1 4.24Å; W130-I186 HydrophobicContact CD2-CG1 4.09Å; W130-I186 HydrophobicContact CE3-CD1 3.68Å; W130-I186 HydrophobicContact CE3-CG1 3.74Å; W130-I186 HydrophobicContact CG-CG1 4.23Å; W130-I186 HydrophobicContact CZ3-CD1 4.01Å
131K96.6Very high94.2Very high96 Ų9644.9 Ų44.942%0.41721%0.206SC..  trans-83.3100.3172.2-159.3-176.5179.2-174.30109.2E182 F184 E185 I186K131-E182 PolarHBondContact NZ-O 3.13Å; K131-F184 HydrophobicContact CB-CD1 4.35Å; K131-F184 HydrophobicContact CD-CD1 4.16Å; K131-F184 HydrophobicContact CD-CD2 4.21Å; K131-F184 HydrophobicContact CD-CE1 4.26Å; K131-F184 HydrophobicContact CD-CE2 4.31Å; K131-F184 HydrophobicContact CD-CG 4.14Å; K131-F184 HydrophobicContact CD-CZ 4.35Å; K131-F184 VanDerWaalsContact CE-CE2 3.48Å; K131-F184 HydrophobicContact CG-CD1 3.63Å; K131-F184 HydrophobicContact CG-CE1 3.74Å; K131-F184 HydrophobicContact CG-CG 4.08Å; K131-F184 HydrophobicContact CG-CZ 4.28Å; K131-E185 HydrophobicContact CB-CG 4.44Å; K131-E185 PolarHBondContact N-OE2 2.6Å; K131-E185 PolarHBondContact O-N 2.98Å; K131-I186 PolarHBondContact O-N 2.84Å
132T97.8Very high93.6Very high4 Ų449.7 Ų49.73%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-106.2144.4-172.357.70000112.1A122 Q126 W130 F184 I186A122-T132 WeakPolarHBondContact O-CG2 3.33Å; Q126-T132 HydrophobicContact CB-CG2 4.45Å; W130-T132 HydrophobicContact CB-CG2 4.14Å; W130-T132 PolarHBondContact O-N 3.47Å; T132-F184 VanDerWaalsContact O-CE1 3.32Å; T132-F184 WeakPolarHBondContact O-CE1 3.33Å; T132-I186 CarbonylContact C-O 3.6Å; T132-I186 VanDerWaalsContact CA-O 3.31Å; T132-I186 WeakPolarHBondContact CA-O 3.46Å; T132-I186 HydrophobicContact CG2-CB 3.73Å; T132-I186 HydrophobicContact CG2-CG1 4.13Å; T132-I186 HydrophobicContact CG2-CG2 4.08Å
133C97.8Very high93.2Very high0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-137.9162.6170.8590000111.7P158 F179 F184 I186 I188C133-P158 VanDerWaalsContact CA-O 3.31Å; C133-P158 WeakPolarHBondContact CA-O 3.26Å; C133-P158 HydrophobicContact CB-CB 4.49Å; C133-F179 HydrophobicContact CB-CD1 3.77Å; C133-F179 HydrophobicContact CB-CD2 3.74Å; C133-F179 HydrophobicContact CB-CE1 3.71Å; C133-F179 HydrophobicContact CB-CE2 3.65Å; C133-F179 HydrophobicContact CB-CG 3.8Å; C133-F179 HydrophobicContact CB-CZ 3.64Å; C133-F179 VanDerWaalsContact SG-CB 3.59Å; C133-F179 WeakPolarHBondContact SG-CD2 3.47Å; C133-F179 WeakPolarHBondContact SG-CG 3.49Å; C133-F184 HydrophobicContact CB-CD1 3.57Å; C133-F184 HydrophobicContact CB-CE1 3.81Å; C133-F184 HydrophobicContact CB-CG 4.17Å; C133-I186 PolarHBondContact N-O 3Å; C133-I188 PolarHBondContact O-N 3.18Å; C133-I188 VanDerWaalsContact O-N 3.1Å
134L98.3Very high92.9Very high0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-120.5137.7179.2-67.7164.3000110.2C118 A122 L148 A152 I157 P158 F159 Y160 I188C118-L134 HydrophobicContact CB-CD2 3.87Å; A122-L134 HydrophobicContact CB-CD1 4.42Å; A122-L134 HydrophobicContact CB-CD2 3.9Å; A122-L134 HydrophobicContact CB-CG 4.11Å; L134-L148 HydrophobicContact CB-CD1 4.4Å; L134-L148 HydrophobicContact CB-CD2 3.9Å; L134-L148 HydrophobicContact CB-CG 4.44Å; L134-A152 HydrophobicContact CD1-CB 3.72Å; L134-I157 HydrophobicContact CD1-CB 4.36Å; L134-I157 HydrophobicContact CD1-CG2 3.95Å; L134-I157 HydrophobicContact CG-CG2 3.99Å; L134-P158 PolarHBondContact N-O 3.23Å; L134-F159 HydrophobicContact CB-CB 4.31Å; L134-F159 CarbonylContact O-C 3.55Å; L134-F159 WeakPolarHBondContact O-CA 3.34Å; L134-Y160 PolarHBondContact O-N 2.72Å; L134-I188 CarbonylContact C-O 3.49Å; L134-I188 HydrophobicContact CD2-CB 4.06Å; L134-I188 HydrophobicContact CD2-CG2 4.03Å
135I98Very high92.9Very high0 Ų047.8 Ų47.80%025%0.251CS..EExtended strand (participates in β ladder)trans-120.8124.9173.9-62.6165.9000107.5Y160 V176 F179 I187 I188 V189 D190I135-Y160 WeakPolarHBondContact CA-O 3.49Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; I135-V176 HydrophobicContact CD1-CB 4.36Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; I135-F179 HydrophobicContact CD1-CD2 4.11Å; I135-F179 HydrophobicContact CG1-CD2 3.93Å; I135-F179 HydrophobicContact CG1-CE2 3.87Å; I135-I187 HydrophobicContact CD1-CG2 3.45Å; I135-I187 VanDerWaalsContact CD1-CG2 3.45Å; I135-I187 HydrophobicContact CG1-CG2 4.39Å; I135-I188 PolarHBondContact N-O 3.16Å; I135-V189 HydrophobicContact CB-CG2 4.42Å; I135-V189 HydrophobicContact CD1-CG2 4.08Å; I135-D190 PolarHBondContact O-N 3.08Å
136C96.7Very high92.8Very high4 Ų449.7 Ų49.73%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-94.9102.5173.9-165.80000109.9F145 L148 Y160 I171C136-F145 HydrophobicContact CB-CD2 3.67Å; C136-F145 HydrophobicContact CB-CE2 4.4Å; C136-L148 HydrophobicContact CB-CB 4.3Å; C136-L148 HydrophobicContact CB-CD1 3.83Å; C136-L148 HydrophobicContact CB-CD2 4.17Å; C136-L148 HydrophobicContact CB-CG 4.32Å; C136-Y160 PolarHBondContact N-O 3.43Å; C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.3Å
137A94.8Very high92.8Very high1 Ų149.8 Ų49.81%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-10626.2172.600000111.4P168 A172 V189 D190A137-P168 HydrophobicContact CB-CB 4.22Å; A137-P168 WeakPolarHBondContact O-CB 3.14Å; A137-A172 HydrophobicContact CB-CB 4.14Å; A137-V189 HydrophobicContact CB-CG1 4.07Å; A137-D190 CarbonylContact C-O 3.58Å; A137-D190 WeakPolarHBondContact CA-O 3.23Å; A137-D190 PolarHBondContact N-O 2.98Å
138D92.5Very high93.1Very high12 Ų1241.4 Ų41.46%0.06423%0.232CC..  trans-95.686.6170.7-177.35.1000108.9R141 A144 D190 S192D138-R141 PolarHBondContact OD1-N 3.27Å; D138-R141 IonicContact OD2-CZ 2.76Å; D138-R141 IonicContact OD2-NE 2.85Å; D138-R141 PolarHBondContact OD2-NE 3.32Å; D138-R141 IonicContact OD2-NH2 3.97Å; D138-R141 PolarHBondContact OD2-NH2 3.45Å; D138-A144 HydrophobicContact CB-CB 3.82Å; D138-A144 VanDerWaalsContact OD2-CB 3.31Å; D138-A144 WeakPolarHBondContact OD2-CB 3.36Å; D138-D190 PolarHBondContact N-O 2.93Å; D138-S192 WeakPolarHBondContact OD1-CA 3.44Å; D138-S192 VanDerWaalsContact OD1-CB 3.23Å; D138-S192 WeakPolarHBondContact OD1-CB 3.48Å
139T88.7Confident93.3Very high30 Ų3040 Ų4018%0.18423%0.226CC..  trans-86.6-12.2179.256.30000113.2M166 P168 I171T139-M166 VanDerWaalsContact CB-O 3.3Å; T139-M166 WeakPolarHBondContact CB-O 3.01Å; T139-M166 WeakPolarHBondContact CG2-O 2.93Å; T139-M166 PolarHBondContact OG1-O 3.35Å; T139-P168 HydrophobicContact CG2-CB 4.34Å; T139-I171 HydrophobicContact CG2-CD1 3.34Å
140F84.6Confident93.5Very high140 Ų14042.7 Ų42.761%0.61422%0.223SC*.SBendtrans-82.8-40.1-174.8-111.9-93.4000113L201F140-L201 HydrophobicContact CD2-CD2 4.47Å; F140-L201 HydrophobicContact CE2-CD2 3.93Å; F140-L201 HydrophobicContact CZ-CD2 4.14Å
141R86.9Confident93.4Very high92 Ų9242.6 Ų42.635%0.34723%0.225SC..SBendtrans-89.1122.3-174.3176.1175.859.7137.67.6110.9T115 D138 G143 A144 Q147T115-R141 PolarHBondContact OG1-NH2 2.84Å; D138-R141 PolarHBondContact OD1-N 3.27Å; D138-R141 IonicContact OD2-CZ 2.76Å; D138-R141 IonicContact OD2-NE 2.85Å; D138-R141 PolarHBondContact OD2-NE 3.32Å; D138-R141 IonicContact OD2-NH2 3.97Å; D138-R141 PolarHBondContact OD2-NH2 3.45Å; R141-G143 PolarHBondContact O-N 3.04Å; R141-A144 HydrophobicContact CB-CB 4.05Å; R141-A144 HydrophobicContact CG-CB 4.33Å; R141-A144 VanDerWaalsContact O-CB 3.24Å; R141-A144 WeakPolarHBondContact O-CB 3.45Å; R141-A144 PolarHBondContact O-N 3.28Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.27Å; R141-Q147 VanDerWaalsContact NH2-OE1 3.15Å
142A84.7Confident93.4Very high103 Ų10338 Ų3885%0.85121%0.205SC*.THydrogen-bonded Turntrans-54.9127.8172.800000111.3A144A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.02Å
143G87.6Confident93.2Very high40 Ų4042 Ų4241%0.41223%0.23SC..THydrogen-bonded Turntrans73.49.9-179.900000115.2R141 F145 D146 Q147R141-G143 PolarHBondContact O-N 3.04Å; G143-F145 VanDerWaalsContact C-N 3.35Å; G143-D146 PolarHBondContact O-N 3.48Å; G143-Q147 WeakPolarHBondContact O-CB 3.33Å; G143-Q147 PolarHBondContact O-N 3.34Å
144A90.8Very high92.9Very high1 Ų149.3 Ų49.31%0.00826%0.262CS..Hα-helixtrans-60.3-44.917500000112D138 R141 A142 D146 Q147 L148D138-A144 HydrophobicContact CB-CB 3.82Å; D138-A144 VanDerWaalsContact OD2-CB 3.31Å; D138-A144 WeakPolarHBondContact OD2-CB 3.36Å; R141-A144 HydrophobicContact CB-CB 4.05Å; R141-A144 HydrophobicContact CG-CB 4.33Å; R141-A144 VanDerWaalsContact O-CB 3.24Å; R141-A144 WeakPolarHBondContact O-CB 3.45Å; R141-A144 PolarHBondContact O-N 3.28Å; A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.02Å; A144-D146 PolarHBondContact O-N 2.62Å; A144-Q147 PolarHBondContact O-N 3.19Å; A144-L148 PolarHBondContact O-N 2.85Å
145F94Very high92.7Very high24 Ų2449.6 Ų49.611%0.10526%0.264CS..Hα-helixtrans-63.2-42.8176.3-177.5-134.6000112.1C136 G143 Q147 L148 K149 F159 Y163C136-F145 HydrophobicContact CB-CD2 3.67Å; C136-F145 HydrophobicContact CB-CE2 4.4Å; G143-F145 VanDerWaalsContact C-N 3.35Å; F145-Q147 VanDerWaalsContact C-N 3.33Å; F145-Q147 PolarHBondContact O-N 3.43Å; F145-L148 PolarHBondContact O-N 2.85Å; F145-K149 WeakPolarHBondContact O-CB 2.8Å; F145-K149 PolarHBondContact O-N 2.87Å; F145-F159 AromaticContact CE2-CD2 3.9Å; F145-F159 HydrophobicContact CE2-CD2 3.9Å; F145-F159 HydrophobicContact CE2-CE2 4.3Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.08Å; F145-Y163 AromaticContact CD1-CD1 3.93Å; F145-Y163 HydrophobicContact CD1-CD1 3.93Å; F145-Y163 AromaticContact CD1-CD2 3.98Å; F145-Y163 HydrophobicContact CD1-CD2 3.98Å; 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 4.11Å; 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
146D94.9Very high92.5Very high62 Ų6259.9 Ų59.933%0.33230%0.303SS..Hα-helixtrans-64.1-37.7176.5-66.6-56.5000112.3G143 A144 K149 Q150 Y163G143-D146 PolarHBondContact O-N 3.48Å; A144-D146 PolarHBondContact O-N 2.62Å; D146-K149 PolarHBondContact O-N 3.21Å; D146-Q150 WeakPolarHBondContact O-CB 3.26Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.27Å; D146-Q150 PolarHBondContact O-N 3.34Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.47Å; D146-Y163 PolarHBondContact OD1-OH 3.1Å
147Q94.4Very high92.5Very high65 Ų6560 Ų6030%0.30430%0.303SS..Hα-helixtrans-62-49.9174.4-174.4-1782100111.1T115 R141 G143 A144 F145 Q150 N151T115-Q147 HydrophobicContact CG2-CG 4.24Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.27Å; R141-Q147 VanDerWaalsContact NH2-OE1 3.15Å; G143-Q147 WeakPolarHBondContact O-CB 3.33Å; G143-Q147 PolarHBondContact O-N 3.34Å; A144-Q147 PolarHBondContact O-N 3.19Å; F145-Q147 VanDerWaalsContact C-N 3.33Å; F145-Q147 PolarHBondContact O-N 3.43Å; Q147-Q150 PolarHBondContact O-N 3.49Å; Q147-N151 PolarHBondContact O-N 3.23Å; Q147-N151 VanDerWaalsContact O-N 3.09Å
148L95.9Very high92.7Very high0 Ų062.6 Ų62.60%032%0.32CS..Hα-helixtrans-62.7-44.2178.4-175.2144.8000110.9T115 L134 C136 A144 F145 Q150 N151 A152 F159 D190T115-L148 HydrophobicContact CG2-CB 3.86Å; T115-L148 HydrophobicContact CG2-CD1 4.39Å; T115-L148 HydrophobicContact CG2-CG 4.46Å; L134-L148 HydrophobicContact CB-CD1 4.4Å; L134-L148 HydrophobicContact CB-CD2 3.9Å; L134-L148 HydrophobicContact CB-CG 4.44Å; C136-L148 HydrophobicContact CB-CB 4.3Å; C136-L148 HydrophobicContact CB-CD1 3.83Å; C136-L148 HydrophobicContact CB-CD2 4.17Å; C136-L148 HydrophobicContact CB-CG 4.32Å; A144-L148 PolarHBondContact O-N 2.85Å; F145-L148 PolarHBondContact O-N 2.85Å; L148-Q150 PolarHBondContact O-N 2.99Å; L148-N151 PolarHBondContact O-N 2.71Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.13Å; L148-A152 PolarHBondContact O-N 3.09Å; L148-F159 HydrophobicContact CD2-CB 3.8Å; L148-D190 HydrophobicContact CD1-CB 3.72Å
149K96.3Very high92.9Very high75 Ų7565.1 Ų65.133%0.32633%0.33SS..Hα-helixtrans-57.5-45.2176.3171.9171.8-179.9-174.40112.5F145 D146 T153 F159 Y163F145-K149 WeakPolarHBondContact O-CB 2.8Å; F145-K149 PolarHBondContact O-N 2.87Å; D146-K149 PolarHBondContact O-N 3.21Å; K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.23Å; K149-T153 PolarHBondContact O-N 2.94Å; K149-T153 PolarHBondContact O-OG1 3.5Å; K149-F159 HydrophobicContact CB-CD2 4.28Å; K149-F159 HydrophobicContact CB-CE2 4.01Å; K149-F159 HydrophobicContact CB-CZ 4.27Å; K149-F159 HydrophobicContact CD-CE2 3.89Å; K149-F159 HydrophobicContact CD-CZ 3.99Å; K149-F159 HydrophobicContact CG-CD2 4.4Å; K149-F159 HydrophobicContact CG-CE1 4.16Å; K149-F159 HydrophobicContact CG-CE2 3.67Å; K149-F159 HydrophobicContact CG-CZ 3.55Å; K149-Y163 PolarHBondContact NZ-OH 2.87Å
150Q95.8Very high93.3Very high113 Ų11365.6 Ų65.653%0.52833%0.329SS..Hα-helixtrans-63.3-43.9176.6-75.117644.800111.7D146 Q147 L148 T153 K154D146-Q150 WeakPolarHBondContact O-CB 3.26Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.27Å; D146-Q150 PolarHBondContact O-N 3.34Å; Q147-Q150 PolarHBondContact O-N 3.49Å; L148-Q150 PolarHBondContact O-N 2.99Å; Q150-T153 PolarHBondContact O-N 2.96Å; Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.22Å; Q150-K154 PolarHBondContact O-N 3.27Å
151N94.8Very high93.7Very high32 Ų3259.8 Ų59.817%0.17131%0.309CS..Hα-helixtrans-65.8-45.5178.2-68.7-15000111.7S119 Q147 L148 T153 K154 A155S119-N151 WeakPolarHBondContact OG-CB 3.49Å; Q147-N151 PolarHBondContact O-N 3.23Å; Q147-N151 VanDerWaalsContact O-N 3.09Å; L148-N151 PolarHBondContact O-N 2.71Å; N151-T153 VanDerWaalsContact C-N 3.33Å; N151-T153 PolarHBondContact O-N 3.24Å; N151-K154 PolarHBondContact O-N 3.48Å; N151-A155 WeakPolarHBondContact O-CB 3.46Å; N151-A155 PolarHBondContact O-N 3.17Å
152A95.5Very high93.9Very high0 Ų057 Ų570%030%0.303CS..Hα-helixtrans-60.5-42.1177.100000111.7L134 L148 A155 R156 I157 F159L134-A152 HydrophobicContact CD1-CB 3.72Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.13Å; L148-A152 PolarHBondContact O-N 3.09Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 3.31Å; A152-R156 PolarHBondContact O-N 3.07Å; A152-I157 WeakPolarHBondContact CB-O 3.34Å; A152-I157 PolarHBondContact O-N 2.83Å; A152-F159 HydrophobicContact CB-CB 3.79Å; A152-F159 HydrophobicContact CB-CD1 3.6Å; A152-F159 HydrophobicContact CB-CG 3.97Å
153T95.3Very high94.1Very high88 Ų8858.6 Ų58.654%0.5429%0.288SS..Hα-helixtrans-63.8-45.3176.6-57.50000111.5K149 Q150 N151 A155 R156K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.23Å; K149-T153 PolarHBondContact O-N 2.94Å; K149-T153 PolarHBondContact O-OG1 3.5Å; Q150-T153 PolarHBondContact O-N 2.96Å; N151-T153 VanDerWaalsContact C-N 3.33Å; N151-T153 PolarHBondContact O-N 3.24Å; T153-A155 PolarHBondContact O-N 3.08Å; T153-R156 PolarHBondContact O-N 2.97Å; T153-R156 VanDerWaalsContact O-N 3.13Å
154K91.4Very high94.2Very high154 Ų15462.7 Ų62.767%0.6731%0.305SS*.Hα-helixtrans-58.9-38.7175.3-72.2168.6-174.4172.90111.8Q150 N151 R156Q150-K154 VanDerWaalsContact O-CG 3.27Å; Q150-K154 WeakPolarHBondContact O-CG 3.22Å; Q150-K154 PolarHBondContact O-N 3.27Å; N151-K154 PolarHBondContact O-N 3.48Å; K154-R156 VanDerWaalsContact C-N 3.35Å
155A92.3Very high94.2Very high6 Ų666.2 Ų66.25%0.0532%0.322CS..Hα-helixtrans-80.8-12179.400000114.2Y123 Q126 N151 A152 T153 I157 I279Y123-A155 HydrophobicContact CD2-CB 4.42Å; Q126-A155 PolarHBondContact OE1-O 3.49Å; Q126-A155 VanDerWaalsContact OE1-O 3.1Å; N151-A155 WeakPolarHBondContact O-CB 3.46Å; N151-A155 PolarHBondContact O-N 3.17Å; A152-A155 CarbonylContact O-C 3.51Å; A152-A155 PolarHBondContact O-N 3.31Å; T153-A155 PolarHBondContact O-N 3.08Å; A155-I157 VanDerWaalsContact C-N 3.32Å; A155-I157 HydrophobicContact CB-CB 4.28Å; A155-I157 HydrophobicContact CB-CD1 3.45Å; A155-I157 VanDerWaalsContact CB-CD1 3.45Å; A155-I157 HydrophobicContact CB-CG1 3.62Å; A155-I279 HydrophobicContact CB-CD1 3.3Å
156R95Very high94Very high216 Ų21671.4 Ų71.482%0.81535%0.348SS*.THydrogen-bonded Turntrans56.144.9-168.4-51.8-179.4-178.3-170.9-0.2112.5Q126 A152 T153 K154Q126-R156 PolarHBondContact NE2-O 3.29Å; A152-R156 PolarHBondContact O-N 3.07Å; T153-R156 PolarHBondContact O-N 2.97Å; T153-R156 VanDerWaalsContact O-N 3.13Å; K154-R156 VanDerWaalsContact C-N 3.35Å
157I97Very high93.8Very high5 Ų571.7 Ų71.73%0.02635%0.349CS..  trans-110128.6179.4-62173.8000108.3A122 L134 A152 A155A122-I157 HydrophobicContact CB-CD1 3.5Å; A122-I157 VanDerWaalsContact CB-CD1 3.5Å; A122-I157 HydrophobicContact CB-CG2 4.19Å; L134-I157 HydrophobicContact CD1-CB 4.36Å; L134-I157 HydrophobicContact CD1-CG2 3.95Å; L134-I157 HydrophobicContact CG-CG2 3.99Å; A152-I157 WeakPolarHBondContact CB-O 3.34Å; A152-I157 PolarHBondContact O-N 2.83Å; A155-I157 VanDerWaalsContact C-N 3.32Å; A155-I157 HydrophobicContact CB-CB 4.28Å; A155-I157 HydrophobicContact CB-CD1 3.45Å; A155-I157 VanDerWaalsContact CB-CD1 3.45Å; A155-I157 HydrophobicContact CB-CG1 3.62Å
158P97.5Very high93.7Very high56 Ų5668.6 Ų68.636%0.36434%0.335SS..  trans-58138.2172.9-28.438.9000111.6C133 L134 F179 F184C133-P158 VanDerWaalsContact CA-O 3.31Å; C133-P158 WeakPolarHBondContact CA-O 3.26Å; C133-P158 HydrophobicContact CB-CB 4.49Å; L134-P158 PolarHBondContact N-O 3.23Å; P158-F179 HydrophobicContact CB-CE1 4.11Å; P158-F179 HydrophobicContact CB-CZ 4.42Å; P158-F184 HydrophobicContact CB-CE1 4.03Å; P158-F184 HydrophobicContact CB-CZ 3.91Å; P158-F184 HydrophobicContact CG-CE1 3.77Å; P158-F184 HydrophobicContact CG-CZ 3.72Å
159F97.2Very high93.6Very high65 Ų6570 Ų7029%0.28534%0.343SS..EExtended strand (participates in β ladder)trans-131.3154.3-17961.9-88.8000111.5L134 F145 L148 K149 A152L134-F159 HydrophobicContact CB-CB 4.31Å; L134-F159 CarbonylContact O-C 3.55Å; L134-F159 WeakPolarHBondContact O-CA 3.34Å; F145-F159 AromaticContact CE2-CD2 3.9Å; F145-F159 HydrophobicContact CE2-CD2 3.9Å; F145-F159 HydrophobicContact CE2-CE2 4.3Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.08Å; L148-F159 HydrophobicContact CD2-CB 3.8Å; K149-F159 HydrophobicContact CB-CD2 4.28Å; K149-F159 HydrophobicContact CB-CE2 4.01Å; K149-F159 HydrophobicContact CB-CZ 4.27Å; K149-F159 HydrophobicContact CD-CE2 3.89Å; K149-F159 HydrophobicContact CD-CZ 3.99Å; K149-F159 HydrophobicContact CG-CD2 4.4Å; K149-F159 HydrophobicContact CG-CE1 4.16Å; K149-F159 HydrophobicContact CG-CE2 3.67Å; K149-F159 HydrophobicContact CG-CZ 3.55Å; A152-F159 HydrophobicContact CB-CB 3.79Å; A152-F159 HydrophobicContact CB-CD1 3.6Å; A152-F159 HydrophobicContact CB-CG 3.97Å
160Y97.4Very high93.6Very high41 Ų4168.7 Ų68.716%0.16134%0.341CS..EExtended strand (participates in β ladder)trans-133.6148.1174.3-179.6-87000109.8L134 I135 C136 I171 E174 K178 F179L134-Y160 PolarHBondContact O-N 2.72Å; I135-Y160 WeakPolarHBondContact CA-O 3.49Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; C136-Y160 PolarHBondContact N-O 3.43Å; Y160-I171 HydrophobicContact CD1-CG2 4.21Å; Y160-I171 HydrophobicContact CE1-CG2 3.87Å; Y160-I171 VanDerWaalsContact CE1-O 3.26Å; Y160-I171 WeakPolarHBondContact CE1-O 3.4Å; Y160-E174 HydrophobicContact CE1-CB 4.45Å; Y160-E174 WeakPolarHBondContact OH-CB 3.3Å; Y160-E174 PolarHBondContact OH-OE2 3.28Å; Y160-K178 HydrophobicContact CD2-CD 3.78Å; Y160-K178 HydrophobicContact CE2-CD 4.14Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å
161G93.8Very high93.6Very high18 Ų1863.4 Ų63.419%0.18632%0.317CS..  trans169.6170.7177.500000109.6
162S91Very high93.6Very high34 Ų3461.9 Ų61.924%0.23831%0.309CS..  trans-128145.1-176.5-171.30000111T164 E165S162-T164 PolarHBondContact OG-N 3.23Å; S162-T164 PolarHBondContact OG-OG1 3.41Å; S162-E165 WeakPolarHBondContact OG-CB 3.19Å; S162-E165 PolarHBondContact OG-N 3.27Å
163Y88.3Confident93.7Very high135 Ų13563.6 Ų63.653%0.52932%0.323SS..SBendtrans-91.2-16.9169.7-69.2-78000112.2F145 D146 K149F145-Y163 AromaticContact CD1-CD1 3.93Å; F145-Y163 HydrophobicContact CD1-CD1 3.93Å; F145-Y163 AromaticContact CD1-CD2 3.98Å; F145-Y163 HydrophobicContact CD1-CD2 3.98Å; 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 4.11Å; 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 3.47Å; D146-Y163 PolarHBondContact OD1-OH 3.1Å; K149-Y163 PolarHBondContact NZ-OH 2.87Å
164T89.8Confident93.7Very high127 Ų12764.2 Ų64.278%0.77932%0.32SS*.SBendtrans-113.6-29-170.854.10000113S162S162-T164 PolarHBondContact OG-N 3.23Å; S162-T164 PolarHBondContact OG-OG1 3.41Å
165E91.4Very high94Very high75 Ų7556.9 Ų56.935%0.3529%0.288SS..  trans-78.2131176.9-174.551.5-101.100109.4S162 D167 V170 I171S162-E165 WeakPolarHBondContact OG-CB 3.19Å; S162-E165 PolarHBondContact OG-N 3.27Å; E165-D167 PolarHBondContact OE1-N 2.9Å; E165-V170 HydrophobicContact CG-CB 4.2Å; E165-V170 HydrophobicContact CG-CG1 4.2Å; E165-I171 HydrophobicContact CB-CD1 3.95Å; E165-I171 HydrophobicContact CB-CG1 3.81Å; E165-I171 HydrophobicContact CG-CD1 4.01Å; E165-I171 HydrophobicContact CG-CG1 3.57Å
166M88.3Confident94.2Very high133 Ų13356.8 Ų56.866%0.65529%0.287SS*.  trans-102.6-22.2-176.9-64.9-63.7-62.400111.5T139 P168T139-M166 VanDerWaalsContact CB-O 3.3Å; T139-M166 WeakPolarHBondContact CB-O 3.01Å; T139-M166 WeakPolarHBondContact CG2-O 2.93Å; T139-M166 PolarHBondContact OG1-O 3.35Å; M166-P168 WeakPolarHBondContact O-CD 3.33Å
167D90.8Very high94.3Very high67 Ų6752.3 Ų52.336%0.35828%0.275SS..  trans-82.7112.7179-170.8-16.7000111.3E165 V169 V170 I171E165-D167 PolarHBondContact OE1-N 2.9Å; D167-V169 PolarHBondContact O-N 3.37Å; D167-V169 VanDerWaalsContact OD1-CB 3.24Å; D167-V169 WeakPolarHBondContact OD1-CB 3.3Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-V169 PolarHBondContact OD1-N 3.23Å; D167-V170 HydrophobicContact CB-CB 4.31Å; D167-V170 HydrophobicContact CB-CG2 3.96Å; D167-V170 PolarHBondContact O-N 3.37Å; D167-I171 WeakPolarHBondContact O-CG1 3.35Å; D167-I171 PolarHBondContact O-N 3.45Å
168P92.7Very high94.3Very high1 Ų156.3 Ų56.31%0.00629%0.292CS..Hα-helixtrans-67.4-22179.128.9-34000113.1A137 T139 M166 A172 E204 V208A137-P168 HydrophobicContact CB-CB 4.22Å; A137-P168 WeakPolarHBondContact O-CB 3.14Å; T139-P168 HydrophobicContact CG2-CB 4.34Å; M166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-A172 WeakPolarHBondContact O-CB 3.45Å; P168-A172 PolarHBondContact O-N 3.38Å; P168-E204 HydrophobicContact CG-CG 3.69Å; P168-E204 WeakPolarHBondContact CG-OE1 3.49Å; P168-V208 HydrophobicContact CB-CG2 4.21Å; P168-V208 HydrophobicContact CG-CG2 4.27Å
169V94.8Very high94.2Very high28 Ų2853.8 Ų53.817%0.1728%0.276CS..Hα-helixtrans-67.2-46.3177.7-175.50000110D167 A172 A173 Q207 V208 A211D167-V169 PolarHBondContact O-N 3.37Å; D167-V169 VanDerWaalsContact OD1-CB 3.24Å; D167-V169 WeakPolarHBondContact OD1-CB 3.3Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-V169 PolarHBondContact OD1-N 3.23Å; V169-A172 PolarHBondContact O-N 3.01Å; V169-A173 VanDerWaalsContact O-CB 3.3Å; V169-A173 WeakPolarHBondContact O-CB 3.42Å; V169-A173 PolarHBondContact O-N 3.19Å; V169-Q207 HydrophobicContact CG2-CB 3.86Å; V169-V208 HydrophobicContact CB-CG2 4.45Å; V169-V208 HydrophobicContact CG2-CG2 3.76Å; V169-A211 HydrophobicContact CG1-CB 3.61Å
170V95.5Very high94.1Very high48 Ų4854.7 Ų54.729%0.29128%0.28SS..Hα-helixtrans-62-50177.9177.10000110.2E165 D167 A172 A173 E174E165-V170 HydrophobicContact CG-CB 4.2Å; E165-V170 HydrophobicContact CG-CG1 4.2Å; D167-V170 HydrophobicContact CB-CB 4.31Å; D167-V170 HydrophobicContact CB-CG2 3.96Å; D167-V170 PolarHBondContact O-N 3.37Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.03Å; V170-A173 PolarHBondContact O-N 3.27Å; V170-E174 HydrophobicContact CG1-CG 4.31Å; V170-E174 WeakPolarHBondContact O-CB 3.08Å; V170-E174 WeakPolarHBondContact O-CG 3.43Å; V170-E174 PolarHBondContact O-N 3.48Å
171I95.3Very high94Very high2 Ų258.5 Ų58.51%0.0130%0.303CS..Hα-helixtrans-60.4-42.9-180-61172000111.3C136 T139 Y160 E165 D167 G175C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.3Å; T139-I171 HydrophobicContact CG2-CD1 3.34Å; Y160-I171 HydrophobicContact CD1-CG2 4.21Å; Y160-I171 HydrophobicContact CE1-CG2 3.87Å; Y160-I171 VanDerWaalsContact CE1-O 3.26Å; Y160-I171 WeakPolarHBondContact CE1-O 3.4Å; E165-I171 HydrophobicContact CB-CD1 3.95Å; E165-I171 HydrophobicContact CB-CG1 3.81Å; E165-I171 HydrophobicContact CG-CD1 4.01Å; E165-I171 HydrophobicContact CG-CG1 3.57Å; D167-I171 WeakPolarHBondContact O-CG1 3.35Å; D167-I171 PolarHBondContact O-N 3.45Å; I171-G175 PolarHBondContact O-N 3.34Å
172A96.1Very high94.1Very high0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-68-44.4-179.700000111.6A137 P168 V169 V170 V176 V189 V208 V212A137-A172 HydrophobicContact CB-CB 4.14Å; P168-A172 WeakPolarHBondContact O-CB 3.45Å; P168-A172 PolarHBondContact O-N 3.38Å; V169-A172 PolarHBondContact O-N 3.01Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.03Å; A172-V176 WeakPolarHBondContact O-CB 3.2Å; A172-V176 WeakPolarHBondContact O-CG2 3.36Å; A172-V176 PolarHBondContact O-N 3.1Å; A172-V189 HydrophobicContact CB-CG1 4.16Å; A172-V208 HydrophobicContact CB-CG1 3.85Å; A172-V212 HydrophobicContact CB-CG1 3.6Å
173A96.4Very high94.3Very high37 Ų3764.1 Ų64.131%0.30633%0.33SS..Hα-helixtrans-63.4-51.9179.200000111.9V169 V170 G175 V176 E177V169-A173 VanDerWaalsContact O-CB 3.3Å; V169-A173 WeakPolarHBondContact O-CB 3.42Å; V169-A173 PolarHBondContact O-N 3.19Å; V170-A173 PolarHBondContact O-N 3.27Å; A173-G175 VanDerWaalsContact C-N 3.34Å; A173-G175 PolarHBondContact O-N 3.19Å; A173-V176 PolarHBondContact O-N 3.47Å; A173-E177 WeakPolarHBondContact O-CB 3.3Å; A173-E177 PolarHBondContact O-N 3.28Å
174E96.6Very high94.6Very high100 Ų10058 Ų5847%0.46731%0.306SS..Hα-helixtrans-63.3-40.6179.2-70.4-174.3-177.300112Y160 V170 E177 K178Y160-E174 HydrophobicContact CE1-CB 4.45Å; Y160-E174 WeakPolarHBondContact OH-CB 3.3Å; Y160-E174 PolarHBondContact OH-OE2 3.28Å; V170-E174 HydrophobicContact CG1-CG 4.31Å; V170-E174 WeakPolarHBondContact O-CB 3.08Å; V170-E174 WeakPolarHBondContact O-CG 3.43Å; V170-E174 PolarHBondContact O-N 3.48Å; E174-E177 PolarHBondContact O-N 3.36Å; E174-K178 VanDerWaalsContact O-CB 3.29Å; E174-K178 WeakPolarHBondContact O-CB 3.39Å; E174-K178 PolarHBondContact O-N 3.08Å
175G96.2Very high95Very high0 Ų053.5 Ų53.50%028%0.276CS..Hα-helixtrans-62.6-44.5176.900000112.2I171 A173 F179I171-G175 PolarHBondContact O-N 3.34Å; A173-G175 VanDerWaalsContact C-N 3.34Å; A173-G175 PolarHBondContact O-N 3.19Å; G175-F179 WeakPolarHBondContact O-CD2 3.45Å; G175-F179 PolarHBondContact O-N 2.88Å; G175-F179 VanDerWaalsContact O-N 3.14Å
176V96.6Very high95.3Very high5 Ų549.9 Ų49.93%0.0326%0.259CS..Hα-helixtrans-65.6-44.5177.6169.40000110.4V103 I135 A172 A173 F179 K180 I187 V189 V212V103-V176 HydrophobicContact CG1-CG2 4.17Å; V103-V176 HydrophobicContact CG2-CG1 3.99Å; I135-V176 HydrophobicContact CD1-CB 4.36Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; A172-V176 WeakPolarHBondContact O-CB 3.2Å; A172-V176 WeakPolarHBondContact O-CG2 3.36Å; A172-V176 PolarHBondContact O-N 3.1Å; A173-V176 PolarHBondContact O-N 3.47Å; V176-F179 PolarHBondContact O-N 3.48Å; V176-K180 HydrophobicContact CG1-CD 3.87Å; V176-K180 VanDerWaalsContact CG1-CE 3.5Å; V176-K180 HydrophobicContact CG1-CG 4.25Å; V176-K180 WeakPolarHBondContact O-CB 3.19Å; V176-K180 VanDerWaalsContact O-CG 3.27Å; V176-K180 WeakPolarHBondContact O-CG 3.44Å; V176-K180 PolarHBondContact O-N 3.02Å; V176-I187 HydrophobicContact CG2-CG2 4.01Å; V176-V189 HydrophobicContact CG2-CG2 4.05Å; V176-V212 HydrophobicContact CG2-CB 4.12Å; V176-V212 HydrophobicContact CG2-CG1 3.98Å
177E97Very high95.8Very high122 Ų12243.6 Ų43.657%0.5723%0.228SC*.Hα-helixtrans-61.2-47.5178.2-173.5177-178.800111.8A173 E174 F179 K180 N181A173-E177 WeakPolarHBondContact O-CB 3.3Å; A173-E177 PolarHBondContact O-N 3.28Å; E174-E177 PolarHBondContact O-N 3.36Å; E177-F179 VanDerWaalsContact C-N 3.34Å; E177-F179 PolarHBondContact O-N 3.18Å; E177-K180 PolarHBondContact O-N 3.28Å; E177-N181 VanDerWaalsContact O-CG 3.26Å; E177-N181 PolarHBondContact O-N 3.4Å; E177-N181 PolarHBondContact O-ND2 2.95Å
178K96.9Very high96.1Very high88 Ų8840.4 Ų40.438%0.38321%0.211SC..Hα-helixtrans-53.9-50.4176.1179.7-177.8178.6179.50111.7Y160 E174 N181 E182Y160-K178 HydrophobicContact CD2-CD 3.78Å; Y160-K178 HydrophobicContact CE2-CD 4.14Å; E174-K178 VanDerWaalsContact O-CB 3.29Å; E174-K178 WeakPolarHBondContact O-CB 3.39Å; E174-K178 PolarHBondContact O-N 3.08Å; K178-N181 PolarHBondContact O-N 3.48Å; K178-E182 WeakPolarHBondContact CE-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CG 3.18Å; K178-E182 PolarHBondContact O-N 3.16Å
179F96.8Very high96.3Very high4 Ų440.3 Ų40.32%0.01821%0.211CC..Hα-helixtrans-76.3-25.3-176.8-70.7-52.7000113.6C133 I135 P158 Y160 G175 V176 E177 E182 S183 F184 I187C133-F179 HydrophobicContact CB-CD1 3.77Å; C133-F179 HydrophobicContact CB-CD2 3.74Å; C133-F179 HydrophobicContact CB-CE1 3.71Å; C133-F179 HydrophobicContact CB-CE2 3.65Å; C133-F179 HydrophobicContact CB-CG 3.8Å; C133-F179 HydrophobicContact CB-CZ 3.64Å; C133-F179 VanDerWaalsContact SG-CB 3.59Å; C133-F179 WeakPolarHBondContact SG-CD2 3.47Å; C133-F179 WeakPolarHBondContact SG-CG 3.49Å; I135-F179 HydrophobicContact CD1-CD2 4.11Å; I135-F179 HydrophobicContact CG1-CD2 3.93Å; I135-F179 HydrophobicContact CG1-CE2 3.87Å; P158-F179 HydrophobicContact CB-CE1 4.11Å; P158-F179 HydrophobicContact CB-CZ 4.42Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å; G175-F179 WeakPolarHBondContact O-CD2 3.45Å; G175-F179 PolarHBondContact O-N 2.88Å; G175-F179 VanDerWaalsContact O-N 3.14Å; V176-F179 PolarHBondContact O-N 3.48Å; E177-F179 VanDerWaalsContact C-N 3.34Å; E177-F179 PolarHBondContact O-N 3.18Å; F179-E182 PolarHBondContact O-N 3.34Å; F179-S183 PolarHBondContact O-N 2.74Å; F179-F184 HydrophobicContact CB-CB 4.09Å; F179-F184 HydrophobicContact CB-CD2 4.13Å; F179-F184 HydrophobicContact CB-CG 4.23Å; F179-F184 HydrophobicContact CD1-CD1 4.49Å; F179-F184 AromaticContact CD1-CD2 3.62Å; F179-F184 HydrophobicContact CD1-CD2 3.62Å; F179-F184 AromaticContact CD1-CE2 3.65Å; F179-F184 HydrophobicContact CD1-CE2 3.65Å; F179-F184 HydrophobicContact CD1-CG 4.06Å; F179-F184 HydrophobicContact CD1-CZ 4.12Å; F179-F184 HydrophobicContact CE1-CE2 4.16Å; F179-F184 HydrophobicContact CE1-CZ 4.24Å; F179-F184 HydrophobicContact CG-CD2 4.3Å; F179-F184 HydrophobicContact CG-CG 4.46Å; F179-F184 WeakPolarHBondContact O-CB 3.35Å; F179-F184 PolarHBondContact O-N 2.75Å; F179-I187 HydrophobicContact CB-CD1 4.04Å; F179-I187 HydrophobicContact CB-CG1 4.24Å
180K94.7Very high96.4Very high84 Ų8439 Ų3937%0.36520%0.202SC..Hα-helixtrans-61.5-46.4166.5-79.5178.3176.2175.80110.7N101 V176 E177 E182 S183 I187N101-K180 HydrophobicContact CB-CG 4.03Å; V176-K180 HydrophobicContact CG1-CD 3.87Å; V176-K180 VanDerWaalsContact CG1-CE 3.5Å; V176-K180 HydrophobicContact CG1-CG 4.25Å; V176-K180 WeakPolarHBondContact O-CB 3.19Å; V176-K180 VanDerWaalsContact O-CG 3.27Å; V176-K180 WeakPolarHBondContact O-CG 3.44Å; V176-K180 PolarHBondContact O-N 3.02Å; E177-K180 PolarHBondContact O-N 3.28Å; K180-E182 VanDerWaalsContact C-N 3.3Å; K180-E182 PolarHBondContact O-N 2.82Å; K180-S183 PolarHBondContact O-N 3.46Å; K180-I187 HydrophobicContact CG-CD1 3.92Å
181N95.8Very high96.3Very high121 Ų12136.8 Ų36.865%0.64719%0.189SC*.Hα-helixtrans-65.2-32.1178.3-66.5-22.7000113E177 K178 S183E177-N181 VanDerWaalsContact O-CG 3.26Å; E177-N181 PolarHBondContact O-N 3.4Å; E177-N181 PolarHBondContact O-ND2 2.95Å; K178-N181 PolarHBondContact O-N 3.48Å; N181-S183 PolarHBondContact O-N 3.39Å
182E95.3Very high95.9Very high85 Ų8536.8 Ų36.840%0.39719%0.189SC..THydrogen-bonded Turntrans-84.39.2174.4-66178.7-155.600113.5K131 K178 F179 K180 F184K131-E182 PolarHBondContact NZ-O 3.13Å; K178-E182 WeakPolarHBondContact CE-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CG 3.18Å; K178-E182 PolarHBondContact O-N 3.16Å; F179-E182 PolarHBondContact O-N 3.34Å; K180-E182 VanDerWaalsContact C-N 3.3Å; K180-E182 PolarHBondContact O-N 2.82Å; E182-F184 HydrophobicContact CB-CD2 3.66Å; E182-F184 HydrophobicContact CB-CE2 3.62Å; E182-F184 PolarHBondContact O-N 3.03Å; E182-F184 VanDerWaalsContact OE2-CE2 3.29Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.47Å
183S94.1Very high95.1Very high84 Ų8437.9 Ų37.959%0.58720%0.2SC*.THydrogen-bonded Turntrans5740.4178.3-55.90000114.3F179 K180 N181F179-S183 PolarHBondContact O-N 2.74Å; K180-S183 PolarHBondContact O-N 3.46Å; N181-S183 PolarHBondContact O-N 3.39Å
184F96.6Very high94.1Very high7 Ų736.1 Ų36.13%0.03119%0.186CC..  trans-75.3136170.4-78.9-103.7000111.1N101 K131 T132 C133 P158 F179 E182 I187N101-F184 PolarHBondContact ND2-O 3.47Å; K131-F184 HydrophobicContact CB-CD1 4.35Å; K131-F184 HydrophobicContact CD-CD1 4.16Å; K131-F184 HydrophobicContact CD-CD2 4.21Å; K131-F184 HydrophobicContact CD-CE1 4.26Å; K131-F184 HydrophobicContact CD-CE2 4.31Å; K131-F184 HydrophobicContact CD-CG 4.14Å; K131-F184 HydrophobicContact CD-CZ 4.35Å; K131-F184 VanDerWaalsContact CE-CE2 3.48Å; K131-F184 HydrophobicContact CG-CD1 3.63Å; K131-F184 HydrophobicContact CG-CE1 3.74Å; K131-F184 HydrophobicContact CG-CG 4.08Å; K131-F184 HydrophobicContact CG-CZ 4.28Å; T132-F184 VanDerWaalsContact O-CE1 3.32Å; T132-F184 WeakPolarHBondContact O-CE1 3.33Å; C133-F184 HydrophobicContact CB-CD1 3.57Å; C133-F184 HydrophobicContact CB-CE1 3.81Å; C133-F184 HydrophobicContact CB-CG 4.17Å; P158-F184 HydrophobicContact CB-CE1 4.03Å; P158-F184 HydrophobicContact CB-CZ 3.91Å; P158-F184 HydrophobicContact CG-CE1 3.77Å; P158-F184 HydrophobicContact CG-CZ 3.72Å; F179-F184 HydrophobicContact CB-CB 4.09Å; F179-F184 HydrophobicContact CB-CD2 4.13Å; F179-F184 HydrophobicContact CB-CG 4.23Å; F179-F184 HydrophobicContact CD1-CD1 4.49Å; F179-F184 AromaticContact CD1-CD2 3.62Å; F179-F184 HydrophobicContact CD1-CD2 3.62Å; F179-F184 AromaticContact CD1-CE2 3.65Å; F179-F184 HydrophobicContact CD1-CE2 3.65Å; F179-F184 HydrophobicContact CD1-CG 4.06Å; F179-F184 HydrophobicContact CD1-CZ 4.12Å; F179-F184 HydrophobicContact CE1-CE2 4.16Å; F179-F184 HydrophobicContact CE1-CZ 4.24Å; F179-F184 HydrophobicContact CG-CD2 4.3Å; F179-F184 HydrophobicContact CG-CG 4.46Å; F179-F184 WeakPolarHBondContact O-CB 3.35Å; F179-F184 PolarHBondContact O-N 2.75Å; E182-F184 HydrophobicContact CB-CD2 3.66Å; E182-F184 HydrophobicContact CB-CE2 3.62Å; E182-F184 PolarHBondContact O-N 3.03Å; E182-F184 VanDerWaalsContact OE2-CE2 3.29Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.47Å; F184-I187 HydrophobicContact CB-CG1 4.25Å
185E96.6Very high92.8Very high32 Ų3234.9 Ų34.915%0.1518%0.18CC..SBendtrans-89.3-32.4-176.1-58.6-177.7117.700112.2K98 G99 K100 N102 W130 K131K98-E185 VanDerWaalsContact CD-OE1 3.24Å; K98-E185 WeakPolarHBondContact CD-OE1 3.48Å; K98-E185 IonicContact NZ-OE1 3.66Å; K98-E185 IonicContact NZ-OE2 3.52Å; K98-E185 PolarHBondContact NZ-OE2 3.49Å; G99-E185 PolarHBondContact N-OE1 3.03Å; K100-E185 WeakPolarHBondContact O-CA 3.47Å; N102-E185 WeakPolarHBondContact CA-O 3.39Å; N102-E185 VanDerWaalsContact CB-O 3.31Å; N102-E185 WeakPolarHBondContact CB-O 3.36Å; N102-E185 PolarHBondContact N-O 3.36Å; N102-E185 PolarHBondContact ND2-O 3.11Å; W130-E185 WeakPolarHBondContact CA-OE2 3.36Å; W130-E185 HydrophobicContact CE3-CB 3.82Å; W130-E185 HydrophobicContact CZ3-CB 4.38Å; K131-E185 HydrophobicContact CB-CG 4.44Å; K131-E185 PolarHBondContact N-OE2 2.6Å; K131-E185 PolarHBondContact O-N 2.98Å
186I97.9Very high91.2Very high0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-122.2110.9-179.5-58.2-63.1000108.4P96 N102 I104 Y125 W130 K131 T132 C133 I188P96-I186 HydrophobicContact CB-CD1 3.6Å; P96-I186 HydrophobicContact CG-CD1 4.17Å; N102-I186 HydrophobicContact CB-CD1 4.04Å; I104-I186 HydrophobicContact CD1-CG2 4.14Å; Y125-I186 HydrophobicContact CD2-CG2 4.21Å; Y125-I186 HydrophobicContact CG-CG1 4.31Å; W130-I186 HydrophobicContact CB-CG1 3.94Å; W130-I186 HydrophobicContact CD2-CD1 4.24Å; W130-I186 HydrophobicContact CD2-CG1 4.09Å; W130-I186 HydrophobicContact CE3-CD1 3.68Å; W130-I186 HydrophobicContact CE3-CG1 3.74Å; W130-I186 HydrophobicContact CG-CG1 4.23Å; W130-I186 HydrophobicContact CZ3-CD1 4.01Å; K131-I186 PolarHBondContact O-N 2.84Å; T132-I186 CarbonylContact C-O 3.6Å; T132-I186 VanDerWaalsContact CA-O 3.31Å; T132-I186 WeakPolarHBondContact CA-O 3.46Å; T132-I186 HydrophobicContact CG2-CB 3.73Å; T132-I186 HydrophobicContact CG2-CG1 4.13Å; T132-I186 HydrophobicContact CG2-CG2 4.08Å; C133-I186 PolarHBondContact N-O 3Å; I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 3.9Å
187I98.3Very high89.7Confident0 Ų046 Ų460%023%0.23CC..EExtended strand (participates in β ladder)trans-113.1109.8-178.3-53.1177.1000107.8N101 N102 V103 I104 I135 V176 F179 K180 F184N101-I187 HydrophobicContact CB-CD1 4.21Å; N102-I187 PolarHBondContact O-N 3.41Å; V103-I187 WeakPolarHBondContact CA-O 3.47Å; V103-I187 HydrophobicContact CG2-CB 4.39Å; V103-I187 HydrophobicContact CG2-CD1 4.33Å; I104-I187 PolarHBondContact N-O 2.85Å; I135-I187 HydrophobicContact CD1-CG2 3.45Å; I135-I187 VanDerWaalsContact CD1-CG2 3.45Å; I135-I187 HydrophobicContact CG1-CG2 4.39Å; V176-I187 HydrophobicContact CG2-CG2 4.01Å; F179-I187 HydrophobicContact CB-CD1 4.04Å; F179-I187 HydrophobicContact CB-CG1 4.24Å; K180-I187 HydrophobicContact CG-CD1 3.92Å; F184-I187 HydrophobicContact CB-CG1 4.25Å
188I98.3Very high88.4Confident0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-105.6120.8-176-66.9158.5000109.9I104 F106 C118 L121 A122 C133 L134 I135 I186I104-I188 HydrophobicContact CB-CG1 4.34Å; I104-I188 HydrophobicContact CD1-CG1 4.43Å; I104-I188 WeakPolarHBondContact O-CA 3.32Å; F106-I188 HydrophobicContact CD2-CG2 3.8Å; F106-I188 HydrophobicContact CE2-CG2 3.76Å; C118-I188 HydrophobicContact CB-CG2 3.73Å; L121-I188 HydrophobicContact CB-CD1 4.25Å; L121-I188 HydrophobicContact CD2-CD1 4.16Å; L121-I188 HydrophobicContact CG-CD1 4.26Å; A122-I188 HydrophobicContact CB-CD1 3.66Å; C133-I188 PolarHBondContact O-N 3.18Å; C133-I188 VanDerWaalsContact O-N 3.1Å; L134-I188 CarbonylContact C-O 3.49Å; L134-I188 HydrophobicContact CD2-CB 4.06Å; L134-I188 HydrophobicContact CD2-CG2 4.03Å; I135-I188 PolarHBondContact N-O 3.16Å; I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 3.9Å
189V97.7Very high87.4Confident0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-100.6111.5178.5-1750000109.5V103 I104 F106 I135 A137 A172 V176 T191V103-V189 HydrophobicContact CG1-CG2 4.37Å; I104-V189 PolarHBondContact O-N 3.29Å; F106-V189 PolarHBondContact N-O 2.76Å; I135-V189 HydrophobicContact CB-CG2 4.42Å; I135-V189 HydrophobicContact CD1-CG2 4.08Å; A137-V189 HydrophobicContact CB-CG1 4.07Å; A172-V189 HydrophobicContact CB-CG1 4.16Å; V176-V189 HydrophobicContact CG2-CG2 4.05Å; V189-T191 HydrophobicContact CG1-CG2 4.32Å
190D96Very high86.5Confident0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-87.1115.8173.4-172.836.4000109.9K114 T115 C118 I135 A137 D138 L148K114-D190 WeakPolarHBondContact CB-OD1 3.43Å; T115-D190 VanDerWaalsContact CA-OD2 3.27Å; T115-D190 WeakPolarHBondContact CA-OD2 3.39Å; T115-D190 WeakPolarHBondContact CB-OD2 3.26Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.41Å; T115-D190 PolarHBondContact N-OD1 2.86Å; T115-D190 PolarHBondContact OG1-OD2 2.92Å; C118-D190 HydrophobicContact CB-CB 4.43Å; C118-D190 PolarHBondContact SG-OD1 3.21Å; I135-D190 PolarHBondContact O-N 3.08Å; A137-D190 CarbonylContact C-O 3.58Å; A137-D190 WeakPolarHBondContact CA-O 3.23Å; A137-D190 PolarHBondContact N-O 2.98Å; D138-D190 PolarHBondContact N-O 2.93Å; L148-D190 HydrophobicContact CD1-CB 3.72Å
191T93.1Very high85.5Confident1 Ų146.5 Ų46.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-100.8161.1178.472.30000111.8M105 F106 K114 V189M105-T191 HydrophobicContact CE-CG2 3.69Å; M105-T191 HydrophobicContact CG-CG2 4.05Å; F106-T191 WeakPolarHBondContact O-CB 3.48Å; F106-T191 WeakPolarHBondContact O-CG2 3.31Å; F106-T191 PolarHBondContact O-OG1 2.85Å; K114-T191 WeakPolarHBondContact CE-O 3.42Å; V189-T191 HydrophobicContact CG1-CG2 4.32Å
192S87.2Confident84.8Confident3 Ų341 Ų412%0.02122%0.219CC..PPolyproline II helixtrans-57.5154.2171.958.50000112.7K114 D138 R194K114-S192 WeakPolarHBondContact CE-O 3.33Å; D138-S192 WeakPolarHBondContact OD1-CA 3.44Å; D138-S192 VanDerWaalsContact OD1-CB 3.23Å; D138-S192 WeakPolarHBondContact OD1-CB 3.48Å; S192-R194 PolarHBondContact OG-NH2 3.22Å; S192-R194 VanDerWaalsContact OG-NH2 3.17Å
193G79.1Confident84.4Confident22 Ų2241.1 Ų41.123%0.22722%0.22CC..PPolyproline II helixtrans-75.8133171.600000112.3G108G108-G193 WeakPolarHBondContact O-CA 3.29Å
194R75.1Confident84Confident1 Ų138.7 Ų38.70%0.00420%0.199CC..  trans-126.6136-172.2-55176.4-169.9-102.8-5.2110.4G108 L109 S192 L201 E204 F236G108-R194 PolarHBondContact O-N 3.06Å; L109-R194 WeakPolarHBondContact CD2-O 3.44Å; S192-R194 PolarHBondContact OG-NH2 3.22Å; S192-R194 VanDerWaalsContact OG-NH2 3.17Å; R194-L201 HydrophobicContact CB-CB 4.37Å; R194-L201 WeakPolarHBondContact CD-O 3.48Å; R194-L201 HydrophobicContact CG-CB 4.16Å; R194-L201 HydrophobicContact CG-CD1 4.41Å; R194-L201 PolarHBondContact NH1-O 2.85Å; R194-E204 IonicContact CZ-OE2 3.61Å; R194-E204 IonicContact NH1-OE2 3.87Å; R194-E204 PolarHBondContact NH1-OE2 3.45Å; R194-E204 IonicContact NH2-OE2 2.74Å; R194-E204 PolarHBondContact NH2-OE2 2.96Å; R194-F236 HydrophobicContact CB-CZ 4.25Å
195H69.4Low83.6Confident73 Ų7338.4 Ų38.434%0.33820%0.198SC..  trans-99.9140.7174.9-166.1-97.1000110.1Q197 E198H195-Q197 PolarHBondContact CE1-OE1 3.27Å; H195-Q197 PolarHBondContact ND1-OE1 3.39Å; H195-Q197 PolarHBondContact O-N 2.87Å; H195-E198 PolarHBondContact O-N 3.17Å; H195-E198 VanDerWaalsContact O-N 3.08Å
196K62.8Low83.3Confident86 Ų8639.2 Ų39.237%0.37420%0.203SC..THydrogen-bonded Turntrans-54.4-12.3-178.467.7174.6-178.9172.40116.7E198 A235K196-E198 VanDerWaalsContact C-N 3.34Å; K196-A235 HydrophobicContact CB-CB 4.17Å
197Q65.4Low83Confident152 Ų15244.2 Ų44.271%0.7123%0.226SC*.THydrogen-bonded Turntrans-89.8-3.4-177.3-70.2175.6-43.100112.6H195H195-Q197 PolarHBondContact CE1-OE1 3.27Å; H195-Q197 PolarHBondContact ND1-OE1 3.39Å; H195-Q197 PolarHBondContact O-N 2.87Å
198E70.1Confident82.8Confident90 Ų9044.2 Ų44.242%0.42123%0.226SC..  trans-111.686.2-177.1-66.3-178.7-133.200110.5H195 K196 S200 L201 F202H195-E198 PolarHBondContact O-N 3.17Å; H195-E198 VanDerWaalsContact O-N 3.08Å; K196-E198 VanDerWaalsContact C-N 3.34Å; E198-S200 PolarHBondContact O-N 3.04Å; E198-L201 HydrophobicContact CB-CB 4.12Å; E198-L201 HydrophobicContact CB-CD1 4.06Å; E198-L201 HydrophobicContact CB-CG 4.04Å; E198-L201 PolarHBondContact O-N 3.24Å; E198-L201 VanDerWaalsContact O-N 3.09Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.49Å; E198-F202 PolarHBondContact O-N 3.05Å
199D76.3Confident82.6Confident118 Ų11844.9 Ų44.963%0.63123%0.231SC*.Hα-helixtrans-57.7-35.6-179.6-71.2-30.6000112.5L201 F202 E203D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 3Å; D199-F202 PolarHBondContact O-N 3.23Å; D199-F202 VanDerWaalsContact O-N 3.11Å; D199-E203 PolarHBondContact O-N 3.1Å
200S77.9Confident82.4Confident88 Ų8849.7 Ų49.762%0.61526%0.257SS*.Hα-helixtrans-59.5-40.3175.951.10000112.4E198 E203 E204E198-S200 PolarHBondContact O-N 3.04Å; S200-E203 PolarHBondContact O-N 2.83Å; S200-E204 PolarHBondContact O-N 2.92Å; S200-E204 VanDerWaalsContact O-N 3.13Å
201L72.8Confident82.3Confident13 Ų1352 Ų527%0.06828%0.276CS..Hα-helixtrans-74.1-30.2175.9-65.5-173.4000111.4F140 R194 E198 D199 E203 M205F140-L201 HydrophobicContact CD2-CD2 4.47Å; F140-L201 HydrophobicContact CE2-CD2 3.93Å; F140-L201 HydrophobicContact CZ-CD2 4.14Å; R194-L201 HydrophobicContact CB-CB 4.37Å; R194-L201 WeakPolarHBondContact CD-O 3.48Å; R194-L201 HydrophobicContact CG-CB 4.16Å; R194-L201 HydrophobicContact CG-CD1 4.41Å; R194-L201 PolarHBondContact NH1-O 2.85Å; E198-L201 HydrophobicContact CB-CB 4.12Å; E198-L201 HydrophobicContact CB-CD1 4.06Å; E198-L201 HydrophobicContact CB-CG 4.04Å; E198-L201 PolarHBondContact O-N 3.24Å; E198-L201 VanDerWaalsContact O-N 3.09Å; E198-L201 WeakPolarHBondContact OE2-CD1 3.49Å; D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 3Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-M205 PolarHBondContact O-N 3.43Å; L201-M205 VanDerWaalsContact O-N 3.13Å
202F81.6Confident82.4Confident6 Ų652 Ų523%0.02628%0.276CS..Hα-helixtrans-67.6-36.4173.5-87.6-93.4000112.3E198 D199 M205 L206 F236 K239E198-F202 PolarHBondContact O-N 3.05Å; D199-F202 PolarHBondContact O-N 3.23Å; D199-F202 VanDerWaalsContact O-N 3.11Å; F202-M205 HydrophobicContact CD1-CE 3.52Å; F202-M205 HydrophobicContact CE1-CE 3.76Å; F202-M205 HydrophobicContact CG-CE 4.41Å; F202-M205 WeakPolarHBondContact O-CB 3.5Å; F202-M205 PolarHBondContact O-N 3.29Å; F202-L206 PolarHBondContact O-N 3.18Å; F202-F236 AromaticContact CE1-CD1 3.86Å; F202-F236 HydrophobicContact CE1-CD1 3.86Å; F202-F236 HydrophobicContact CE1-CD2 4.34Å; F202-F236 AromaticContact CE1-CE1 3.96Å; F202-F236 HydrophobicContact CE1-CE1 3.96Å; F202-F236 HydrophobicContact CE1-CE2 4.42Å; F202-F236 HydrophobicContact CE1-CG 4.05Å; F202-F236 HydrophobicContact CE1-CZ 4.24Å; F202-F236 HydrophobicContact CZ-CD1 4.19Å; F202-F236 HydrophobicContact CZ-CD2 4.11Å; F202-F236 AromaticContact CZ-CE1 3.92Å; F202-F236 HydrophobicContact CZ-CE1 3.92Å; F202-F236 AromaticContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CG 4.27Å; F202-F236 AromaticContact CZ-CZ 3.73Å; F202-F236 HydrophobicContact CZ-CZ 3.73Å; F202-K239 HydrophobicContact CB-CG 4.44Å; F202-K239 HydrophobicContact CD1-CB 3.73Å; F202-K239 HydrophobicContact CD1-CG 3.68Å; F202-K239 HydrophobicContact CE1-CB 4.37Å; F202-K239 HydrophobicContact CE1-CG 4.38Å; F202-K239 HydrophobicContact CG-CG 4.36Å
203E86.4Confident82.8Confident87 Ų8759.1 Ų59.141%0.40731%0.309SS..Hα-helixtrans-66.2-44174.8-74.1-57.1154.700112.6D199 S200 L201 M205 L206 Q207D199-E203 PolarHBondContact O-N 3.1Å; S200-E203 PolarHBondContact O-N 2.83Å; L201-E203 VanDerWaalsContact C-N 3.32Å; E203-M205 VanDerWaalsContact C-N 3.27Å; E203-M205 PolarHBondContact O-N 3.33Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 3.38Å; E203-L206 VanDerWaalsContact O-N 3.1Å; E203-Q207 WeakPolarHBondContact O-CG 3.48Å; E203-Q207 PolarHBondContact O-N 3.47Å
204E85.6Confident83.6Confident34 Ų3459.2 Ų59.216%0.15931%0.305CS..Hα-helixtrans-60.9-38.3175.9-176.9-162.3-106.800111.4P168 R194 S200 L206 Q207 V208P168-E204 HydrophobicContact CG-CG 3.69Å; P168-E204 WeakPolarHBondContact CG-OE1 3.49Å; R194-E204 IonicContact CZ-OE2 3.61Å; R194-E204 IonicContact NH1-OE2 3.87Å; R194-E204 PolarHBondContact NH1-OE2 3.45Å; R194-E204 IonicContact NH2-OE2 2.74Å; R194-E204 PolarHBondContact NH2-OE2 2.96Å; S200-E204 PolarHBondContact O-N 2.92Å; S200-E204 VanDerWaalsContact O-N 3.13Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.32Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 3.26Å; E204-V208 WeakPolarHBondContact O-CG2 3.39Å; E204-V208 PolarHBondContact O-N 3.38Å
205M88.1Confident84.6Confident0 Ų063 Ų630%033%0.326CS..Hα-helixtrans-62.7-41.9174.6-173.1178.957.400112M105 V107 L201 F202 E203 Q207 V208 S209 F236 V240M105-M205 HydrophobicContact CE-CG 3.66Å; M105-M205 WeakPolarHBondContact CE-O 3.34Å; V107-M205 HydrophobicContact CB-SD 3.81Å; V107-M205 HydrophobicContact CG1-CG 4.05Å; V107-M205 HydrophobicContact CG1-SD 3.5Å; V107-M205 VanDerWaalsContact CG1-SD 3.5Å; L201-M205 PolarHBondContact O-N 3.43Å; L201-M205 VanDerWaalsContact O-N 3.13Å; F202-M205 HydrophobicContact CD1-CE 3.52Å; F202-M205 HydrophobicContact CE1-CE 3.76Å; F202-M205 HydrophobicContact CG-CE 4.41Å; F202-M205 WeakPolarHBondContact O-CB 3.5Å; F202-M205 PolarHBondContact O-N 3.29Å; E203-M205 VanDerWaalsContact C-N 3.27Å; E203-M205 PolarHBondContact O-N 3.33Å; M205-Q207 VanDerWaalsContact C-N 3.34Å; M205-V208 PolarHBondContact O-N 2.84Å; M205-S209 WeakPolarHBondContact O-CB 3.5Å; M205-S209 PolarHBondContact O-N 3.49Å; M205-F236 HydrophobicContact CE-CD1 3.75Å; M205-F236 HydrophobicContact CE-CE1 3.95Å; M205-F236 HydrophobicContact SD-CD1 3.84Å; M205-F236 HydrophobicContact SD-CE1 3.7Å; M205-V240 HydrophobicContact CE-CB 4.31Å; M205-V240 HydrophobicContact CE-CG1 3.75Å; M205-V240 HydrophobicContact CE-CG2 3.56Å; M205-V240 HydrophobicContact CG-CG1 4.23Å; M205-V240 HydrophobicContact SD-CG1 4.44Å; M205-V240 HydrophobicContact SD-CG2 4.11Å
206L91Very high85.8Confident49 Ų4959.8 Ų59.826%0.25731%0.311SS..Hα-helixtrans-64.4-41.1176.6-179.161.4000111F202 E203 E204 S209 N210 V240F202-L206 PolarHBondContact O-N 3.18Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 3.38Å; E203-L206 VanDerWaalsContact O-N 3.1Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.32Å; L206-S209 PolarHBondContact O-N 2.63Å; L206-N210 WeakPolarHBondContact O-CB 3.48Å; L206-N210 PolarHBondContact O-N 3.23Å; L206-N210 PolarHBondContact O-ND2 3.35Å; L206-V240 HydrophobicContact CD1-CG1 4.39Å
207Q91.8Very high87.4Confident105 Ų10556 Ų5649%0.49130%0.295SS..Hα-helixtrans-60.7-46174.6-70.2173.7-9.200111.8V169 E203 E204 M205 S209 N210 A211V169-Q207 HydrophobicContact CG2-CB 3.86Å; E203-Q207 WeakPolarHBondContact O-CG 3.48Å; E203-Q207 PolarHBondContact O-N 3.47Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 3.26Å; M205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-S209 PolarHBondContact O-N 3.03Å; Q207-N210 PolarHBondContact O-N 3Å; Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 3.31Å
208V92.6Very high88.8Confident0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-59.1-47.6174.8173.80000110.3M105 P168 V169 A172 E204 M205 N210 A211 V212M105-V208 HydrophobicContact CE-CB 4.04Å; M105-V208 HydrophobicContact CE-CG1 3.82Å; M105-V208 HydrophobicContact SD-CG1 4.41Å; P168-V208 HydrophobicContact CB-CG2 4.21Å; P168-V208 HydrophobicContact CG-CG2 4.27Å; V169-V208 HydrophobicContact CB-CG2 4.45Å; V169-V208 HydrophobicContact CG2-CG2 3.76Å; A172-V208 HydrophobicContact CB-CG1 3.85Å; E204-V208 WeakPolarHBondContact O-CG2 3.39Å; E204-V208 PolarHBondContact O-N 3.38Å; M205-V208 PolarHBondContact O-N 2.84Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 2.87Å; V208-A211 PolarHBondContact O-N 3.17Å; V208-V212 VanDerWaalsContact O-CG2 3.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.41Å; V208-V212 PolarHBondContact O-N 3.47Å
209S94.2Very high90Very high14 Ų1444.5 Ų44.510%0.09824%0.241CC..Hα-helixtrans-59-43.4178.1-175.10000112.3M205 L206 Q207 Q213 P214M205-S209 WeakPolarHBondContact O-CB 3.5Å; M205-S209 PolarHBondContact O-N 3.49Å; L206-S209 PolarHBondContact O-N 2.63Å; Q207-S209 PolarHBondContact O-N 3.03Å; S209-Q213 WeakPolarHBondContact O-CA 3.28Å; S209-Q213 PolarHBondContact O-N 3.02Å; S209-P214 WeakPolarHBondContact O-CD 3.45Å
210N94.2Very high90.8Very high101 Ų10138.9 Ų38.954%0.5421%0.211SC..Hα-helixtrans-67.7-35.1179.3-69.9-20.1000112.6L206 Q207 V208 Q213L206-N210 WeakPolarHBondContact O-CB 3.48Å; L206-N210 PolarHBondContact O-N 3.23Å; L206-N210 PolarHBondContact O-ND2 3.35Å; Q207-N210 PolarHBondContact O-N 3Å; V208-N210 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 2.87Å; N210-Q213 WeakPolarHBondContact O-CG 3.4Å
211A94.8Very high91.5Very high48 Ų4834.7 Ų34.740%0.39718%0.182SC..Hα-helixtrans-72.2-42.6178.200000112.5V169 Q207 V208V169-A211 HydrophobicContact CG1-CB 3.61Å; Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 3.31Å; V208-A211 PolarHBondContact O-N 3.17Å
212V94.6Very high92.3Very high3 Ų335.1 Ų35.12%0.01818%0.184CC..Hα-helixtrans-90.3-19.5-175.7-56.20000114.5V103 A172 V176 V208 P214V103-V212 HydrophobicContact CG1-CB 4.44Å; V103-V212 HydrophobicContact CG1-CG2 4.37Å; A172-V212 HydrophobicContact CB-CG1 3.6Å; V176-V212 HydrophobicContact CG2-CB 4.12Å; V176-V212 HydrophobicContact CG2-CG1 3.98Å; V208-V212 VanDerWaalsContact O-CG2 3.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.41Å; V208-V212 PolarHBondContact O-N 3.47Å; V212-P214 HydrophobicContact CG2-CB 4.41Å; V212-P214 HydrophobicContact CG2-CG 4.35Å
213Q94.7Very high92.4Very high151 Ų15134.9 Ų34.971%0.70618%0.184SC*.  trans49.167.1-177.3-60.2-178.3-10.100112.2S209 N210S209-Q213 WeakPolarHBondContact O-CA 3.28Å; S209-Q213 PolarHBondContact O-N 3.02Å; N210-Q213 WeakPolarHBondContact O-CG 3.4Å
214P96.1Very high92.2Very high24 Ų2434.1 Ų34.116%0.15619%0.188CC..  trans-69.3138.1-174.330-33.7000111.8V103 M105 S209 V212 N216 I217V103-P214 HydrophobicContact CG1-CB 4.25Å; V103-P214 CarbonylContact O-C 3.42Å; M105-P214 HydrophobicContact CB-CB 3.77Å; M105-P214 HydrophobicContact CB-CG 4.01Å; M105-P214 HydrophobicContact SD-CG 4.24Å; S209-P214 WeakPolarHBondContact O-CD 3.45Å; V212-P214 HydrophobicContact CG2-CB 4.41Å; V212-P214 HydrophobicContact CG2-CG 4.35Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 3.43Å; P214-I217 HydrophobicContact CB-CG1 4.21Å; P214-I217 HydrophobicContact CG-CD1 3.87Å; P214-I217 HydrophobicContact CG-CG1 3.57Å
215D95.7Very high92Very high82 Ų8234.3 Ų34.344%0.43919%0.19SC..SBendtrans-70.3-26.7173-60.2-80.1000112.1W94 N102 V103W94-D215 HydrophobicContact CZ2-CB 3.81Å; W94-D215 PolarHBondContact NE1-O 2.8Å; N102-D215 WeakPolarHBondContact CA-OD2 3.23Å; V103-D215 PolarHBondContact N-OD2 3.31Å; V103-D215 PolarHBondContact O-N 3.46Å
216N95.6Very high91.5Very high4 Ų434.7 Ų34.72%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-146.8126.2178.3-172.929000110.7W94 V103 I104 M105 P214 A243 S244W94-N216 HydrophobicContact CB-CB 4.45Å; W94-N216 HydrophobicContact CD2-CB 3.62Å; W94-N216 HydrophobicContact CE3-CB 3.78Å; W94-N216 HydrophobicContact CG-CB 3.93Å; W94-N216 HydrophobicContact CH2-CB 4.44Å; W94-N216 HydrophobicContact CZ2-CB 4.33Å; W94-N216 HydrophobicContact CZ3-CB 4.2Å; V103-N216 PolarHBondContact O-N 2.99Å; I104-N216 WeakPolarHBondContact CA-O 3.27Å; I104-N216 HydrophobicContact CG2-CB 4.47Å; M105-N216 PolarHBondContact N-O 3.28Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 3.43Å; N216-A243 WeakPolarHBondContact OD1-CB 3.47Å; N216-S244 PolarHBondContact ND2-OG 2.87Å; N216-S244 VanDerWaalsContact ND2-OG 3.17Å; N216-S244 PolarHBondContact OD1-OG 3.29Å
217I95.8Very high90.9Very high7 Ų736.1 Ų36.14%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-101.1118.4170.4-56.2-179.7000108.3M105 V107 P214 V240 V242 A243 S244M105-I217 HydrophobicContact CB-CG1 4.39Å; M105-I217 WeakPolarHBondContact O-CA 3.31Å; V107-I217 HydrophobicContact CG1-CG2 3.99Å; V107-I217 HydrophobicContact CG2-CG2 3.67Å; P214-I217 HydrophobicContact CB-CG1 4.21Å; P214-I217 HydrophobicContact CG-CD1 3.87Å; P214-I217 HydrophobicContact CG-CG1 3.57Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.42Å; I217-V242 HydrophobicContact CG2-CG2 4.34Å; I217-A243 PolarHBondContact O-N 2.87Å; I217-S244 PolarHBondContact O-N 3.05Å
218V96Very high90.3Very high0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans-102116.1-177.4-178.90000109.6I104 M105 F106 V107 V220 S244 I246 I271I104-V218 HydrophobicContact CG2-CG2 3.56Å; M105-V218 PolarHBondContact O-N 2.83Å; F106-V218 HydrophobicContact CD2-CB 4.32Å; F106-V218 HydrophobicContact CE1-CG1 4.29Å; F106-V218 HydrophobicContact CE2-CB 4.28Å; F106-V218 HydrophobicContact CE2-CG2 4.25Å; F106-V218 HydrophobicContact CZ-CB 4.43Å; F106-V218 HydrophobicContact CZ-CG1 4.33Å; V107-V218 PolarHBondContact N-O 2.97Å; V218-V220 HydrophobicContact CG1-CG2 4.25Å; V218-V220 PolarHBondContact O-N 2.96Å; V218-S244 WeakPolarHBondContact CA-O 3.43Å; V218-I246 HydrophobicContact CG1-CB 4.21Å; V218-I246 HydrophobicContact CG1-CD1 3.62Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; V218-I271 HydrophobicContact CG2-CD1 4.2Å
219Y94.3Very high89.9Confident0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans-83.7112.2170.3177.3-115.8000110.2V107 M221 A233 F236 V242 S244 V245 I246 A262V107-Y219 HydrophobicContact CG2-CD2 4.4Å; V107-Y219 WeakPolarHBondContact O-CA 3.1Å; Y219-M221 HydrophobicContact CD1-CB 4.27Å; Y219-M221 HydrophobicContact CE1-CB 3.74Å; Y219-A233 HydrophobicContact CD1-CB 4.35Å; Y219-A233 HydrophobicContact CE1-CB 3.72Å; Y219-F236 HydrophobicContact CD2-CB 4.23Å; Y219-F236 HydrophobicContact CD2-CD1 4.5Å; Y219-F236 HydrophobicContact CD2-CD2 4.09Å; Y219-F236 HydrophobicContact CD2-CG 4.02Å; Y219-F236 HydrophobicContact CE2-CB 4.38Å; Y219-F236 AromaticContact CE2-CD2 3.51Å; Y219-F236 HydrophobicContact CE2-CD2 3.51Å; Y219-F236 AromaticContact CE2-CE2 3.92Å; Y219-F236 HydrophobicContact CE2-CE2 3.92Å; Y219-F236 AromaticContact CE2-CG 3.92Å; Y219-F236 HydrophobicContact CE2-CG 3.92Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; Y219-S244 PolarHBondContact N-O 3.43Å; Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.45Å; Y219-V245 WeakPolarHBondContact O-CA 3.31Å; Y219-I246 PolarHBondContact O-N 3.28Å; Y219-A262 HydrophobicContact CE1-CB 4.48Å
220V94.1Very high89.5Confident0 Ų035.8 Ų35.80%021%0.205CC..EExtended strand (participates in β ladder)trans-93120176.1-173.70000109.8F106 V107 S112 K114 V218 I246 T248F106-V220 HydrophobicContact CD1-CG2 3.36Å; F106-V220 HydrophobicContact CE1-CG2 3.73Å; F106-V220 HydrophobicContact CG-CG2 4.36Å; V107-V220 PolarHBondContact O-N 3.31Å; S112-V220 VanDerWaalsContact CB-O 3.28Å; S112-V220 WeakPolarHBondContact CB-O 3.33Å; S112-V220 WeakPolarHBondContact O-CG1 3.37Å; S112-V220 PolarHBondContact OG-O 3.49Å; K114-V220 HydrophobicContact CG-CB 3.94Å; K114-V220 HydrophobicContact CG-CG1 4.49Å; K114-V220 HydrophobicContact CG-CG2 4.18Å; V218-V220 HydrophobicContact CG1-CG2 4.25Å; V218-V220 PolarHBondContact O-N 2.96Å; V220-I246 WeakPolarHBondContact CA-O 3.39Å; V220-I246 HydrophobicContact CG2-CB 4.48Å; V220-T248 HydrophobicContact CG1-CG2 3.47Å; V220-T248 VanDerWaalsContact CG1-CG2 3.47Å
221M90.8Very high89.1Confident1 Ų133.2 Ų33.21%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-120.5146.3-179.667.4164.7-73.900112.4Y219 I225 C229 V245 I246 V247 T248 G258 A259 A262Y219-M221 HydrophobicContact CD1-CB 4.27Å; Y219-M221 HydrophobicContact CE1-CB 3.74Å; M221-I225 HydrophobicContact CE-CG2 3.92Å; M221-C229 WeakPolarHBondContact CE-SG 3.49Å; M221-V245 HydrophobicContact CG-CG1 4.02Å; M221-V245 HydrophobicContact SD-CG1 4.09Å; M221-I246 WeakPolarHBondContact CG-O 3.49Å; M221-I246 PolarHBondContact N-O 3.08Å; M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG1 4.5Å; M221-V247 HydrophobicContact CG-CG2 4.07Å; M221-V247 HydrophobicContact SD-CG2 4.13Å; M221-T248 PolarHBondContact O-N 2.69Å; M221-T248 PolarHBondContact O-OG1 3.2Å; M221-G258 VanDerWaalsContact CE-C 3.41Å; M221-A259 HydrophobicContact CE-CB 4.25Å; M221-A259 HydrophobicContact SD-CB 4.34Å; M221-A262 HydrophobicContact CE-CB 4.45Å; M221-A262 HydrophobicContact SD-CB 3.34Å; M221-A262 WeakPolarHBondContact SD-CB 3.41Å
222D89.6Confident88.7Confident21 Ų2131.3 Ų31.311%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-82.9131.8172.8-170.6-33.5000109.6S224 I225 K249D222-S224 PolarHBondContact O-N 3.1Å; D222-S224 VanDerWaalsContact O-N 3.1Å; D222-S224 WeakPolarHBondContact OD1-CB 3.35Å; D222-S224 PolarHBondContact OD1-N 3.06Å; D222-S224 PolarHBondContact OD1-OG 2.86Å; D222-S224 PolarHBondContact OD2-OG 2.87Å; D222-I225 WeakPolarHBondContact O-CB 3.31Å; D222-I225 WeakPolarHBondContact O-CG2 3.49Å; D222-I225 PolarHBondContact O-N 3.46Å; D222-K249 WeakPolarHBondContact OD2-CD 3.29Å; D222-K249 WeakPolarHBondContact OD2-CE 3.33Å; D222-K249 IonicContact OD2-NZ 2.69Å; D222-K249 PolarHBondContact OD2-NZ 3.28Å
223A85.3Confident88.4Confident2 Ų231.1 Ų31.12%0.01718%0.179CC..THydrogen-bonded Turntrans-59.6-18.3175.800000114.2V247 T248 L250 A254 G256A223-V247 HydrophobicContact CB-CG1 4.01Å; A223-T248 VanDerWaalsContact CB-O 3.23Å; A223-T248 WeakPolarHBondContact CB-O 3.37Å; A223-T248 PolarHBondContact N-O 3.21Å; A223-T248 VanDerWaalsContact N-O 3.07Å; A223-L250 HydrophobicContact CB-CD2 3.61Å; A223-L250 HydrophobicContact CB-CG 4.12Å; A223-A254 HydrophobicContact CB-CB 3.53Å; A223-G256 PolarHBondContact O-N 3.33Å
224S81.9Confident88.1Confident71 Ų7129.4 Ų29.450%0.49717%0.169SC..THydrogen-bonded Turntrans-88.9-8.3-177.7660000115.1D222 G226D222-S224 PolarHBondContact O-N 3.1Å; D222-S224 VanDerWaalsContact O-N 3.1Å; D222-S224 WeakPolarHBondContact OD1-CB 3.35Å; D222-S224 PolarHBondContact OD1-N 3.06Å; D222-S224 PolarHBondContact OD1-OG 2.86Å; D222-S224 PolarHBondContact OD2-OG 2.87Å; S224-G226 PolarHBondContact O-N 3.4Å
225I80.9Confident87.8Confident38 Ų3829.4 Ų29.420%0.19517%0.171CC..  trans-59.6-21.6-174.1-165174.1000114.5L109 M221 D222 C229 Q232L109-I225 HydrophobicContact CD1-CD1 3.42Å; L109-I225 VanDerWaalsContact CD1-CD1 3.42Å; L109-I225 HydrophobicContact CD1-CG1 4.35Å; L109-I225 HydrophobicContact CG-CD1 4.45Å; M221-I225 HydrophobicContact CE-CG2 3.92Å; D222-I225 WeakPolarHBondContact O-CB 3.31Å; D222-I225 WeakPolarHBondContact O-CG2 3.49Å; D222-I225 PolarHBondContact O-N 3.46Å; I225-C229 HydrophobicContact CG2-CB 3.62Å; I225-Q232 HydrophobicContact CD1-CG 4.45Å
226G78.2Confident87.4Confident7 Ų725.5 Ų25.57%0.07215%0.151CC..G310 helixtrans62-139.817700000114.3S224 A228 C229S224-G226 PolarHBondContact O-N 3.4Å; G226-A228 VanDerWaalsContact C-N 3.31Å; G226-A228 PolarHBondContact O-N 2.82Å; G226-C229 VanDerWaalsContact O-CB 3.26Å; G226-C229 WeakPolarHBondContact O-CB 3.42Å; G226-C229 PolarHBondContact O-N 2.92Å
227Q76.8Confident87.1Confident80 Ų8028.4 Ų28.437%0.37416%0.163SC..G310 helixtrans-65.9-28.5-172.8-63.6-68.1-61.300114.1D43 V44 C229D43-Q227 PolarHBondContact O-NE2 2.9Å; V44-Q227 PolarHBondContact O-NE2 3.49Å; Q227-C229 PolarHBondContact O-N 2.94Å; Q227-C229 VanDerWaalsContact O-N 3.08Å
228A81.2Confident86.8Confident53 Ų5333.6 Ų33.644%0.43819%0.191SC..G310 helixtrans-66.2-12.2-179.400000112.8G226 E230 A231 Q232G226-A228 VanDerWaalsContact C-N 3.31Å; G226-A228 PolarHBondContact O-N 2.82Å; A228-E230 VanDerWaalsContact C-N 3.34Å; A228-E230 PolarHBondContact O-N 3.42Å; A228-A231 PolarHBondContact O-N 2.95Å; A228-Q232 VanDerWaalsContact O-CG 3.23Å; A228-Q232 WeakPolarHBondContact O-CG 3.35Å; A228-Q232 PolarHBondContact O-N 3.01Å
229C83.9Confident86.4Confident0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-55-44.9-179.4-1590000113.5M221 I225 G226 Q227 A231 Q232 A233 G258M221-C229 WeakPolarHBondContact CE-SG 3.49Å; I225-C229 HydrophobicContact CG2-CB 3.62Å; G226-C229 VanDerWaalsContact O-CB 3.26Å; G226-C229 WeakPolarHBondContact O-CB 3.42Å; G226-C229 PolarHBondContact O-N 2.92Å; Q227-C229 PolarHBondContact O-N 2.94Å; Q227-C229 VanDerWaalsContact O-N 3.08Å; C229-A231 PolarHBondContact O-N 3.25Å; C229-Q232 PolarHBondContact O-N 2.8Å; C229-A233 VanDerWaalsContact O-CB 3.26Å; C229-A233 WeakPolarHBondContact O-CB 3.4Å; C229-A233 PolarHBondContact O-N 3.36Å; C229-G258 PolarHBondContact SG-O 2.92Å
230E85Confident86.1Confident59 Ų5938.3 Ų38.328%0.27621%0.212SC..Hα-helixtrans-58.6-50.2-174.7-173.1-174.5-160.700111.1N45 A228 Q232 K234 A265N45-E230 PolarHBondContact ND2-OE2 3.37Å; A228-E230 VanDerWaalsContact C-N 3.34Å; A228-E230 PolarHBondContact O-N 3.42Å; E230-Q232 VanDerWaalsContact C-N 3.33Å; E230-Q232 PolarHBondContact O-N 2.68Å; E230-K234 VanDerWaalsContact O-CB 3.24Å; E230-K234 WeakPolarHBondContact O-CB 3.14Å; E230-K234 PolarHBondContact O-N 3.04Å; E230-A265 HydrophobicContact CG-CB 4.08Å
231A85.9Confident85.8Confident47 Ų4745.7 Ų45.739%0.38825%0.246SC..Hα-helixtrans-66.2-35.9-17900000112.4A228 C229 A235A228-A231 PolarHBondContact O-N 2.95Å; C229-A231 PolarHBondContact O-N 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.17Å; A231-A235 VanDerWaalsContact O-N 3.08Å
232Q86.7Confident85.9Confident7 Ų745.7 Ų45.73%0.03325%0.246CC..Hα-helixtrans-70.9-52.5178.9-63.6-72.7-1.100110.5L109 I225 A228 C229 E230 K234 A235 F236L109-Q232 HydrophobicContact CD1-CG 4.1Å; L109-Q232 HydrophobicContact CD2-CG 4.48Å; I225-Q232 HydrophobicContact CD1-CG 4.45Å; A228-Q232 VanDerWaalsContact O-CG 3.23Å; A228-Q232 WeakPolarHBondContact O-CG 3.35Å; A228-Q232 PolarHBondContact O-N 3.01Å; C229-Q232 PolarHBondContact O-N 2.8Å; E230-Q232 VanDerWaalsContact C-N 3.33Å; E230-Q232 PolarHBondContact O-N 2.68Å; Q232-K234 PolarHBondContact O-N 3.13Å; Q232-A235 PolarHBondContact O-N 2.61Å; Q232-A235 VanDerWaalsContact O-N 3.07Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.47Å; Q232-F236 PolarHBondContact O-N 3.09Å
233A87.9Confident85.9Confident0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-59.7-38-179.900000111.5Y219 C229 K237 A262 A265 T266Y219-A233 HydrophobicContact CD1-CB 4.35Å; Y219-A233 HydrophobicContact CE1-CB 3.72Å; C229-A233 VanDerWaalsContact O-CB 3.26Å; C229-A233 WeakPolarHBondContact O-CB 3.4Å; C229-A233 PolarHBondContact O-N 3.36Å; A233-K237 WeakPolarHBondContact O-CB 3.29Å; A233-K237 PolarHBondContact O-N 3.47Å; A233-A262 HydrophobicContact CB-CB 4.07Å; A233-A265 HydrophobicContact CB-CB 4.22Å; A233-T266 HydrophobicContact CB-CG2 3.72Å
234K88.8Confident86.3Confident115 Ų11546.3 Ų46.350%0.525%0.254SS..Hα-helixtrans-63.2-47.2172.3-173.6173.1-179.5-178.40112.6E230 Q232 F236 K237 D238 A265E230-K234 VanDerWaalsContact O-CB 3.24Å; E230-K234 WeakPolarHBondContact O-CB 3.14Å; E230-K234 PolarHBondContact O-N 3.04Å; Q232-K234 PolarHBondContact O-N 3.13Å; K234-F236 VanDerWaalsContact C-N 3.3Å; K234-F236 PolarHBondContact O-N 3.11Å; K234-K237 PolarHBondContact O-N 3.4Å; K234-K237 VanDerWaalsContact O-N 3.1Å; K234-D238 WeakPolarHBondContact CG-OD2 3.49Å; K234-D238 WeakPolarHBondContact O-CB 3.33Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 2.94Å; K234-A265 HydrophobicContact CB-CB 4.37Å
235A88.5Confident86.9Confident24 Ų2442.9 Ų42.920%0.19823%0.23CC..Hα-helixtrans-59.8-39.3178.600000112.7K196 A231 Q232 K239K196-A235 HydrophobicContact CB-CB 4.17Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.17Å; A231-A235 VanDerWaalsContact O-N 3.08Å; Q232-A235 PolarHBondContact O-N 2.61Å; Q232-A235 VanDerWaalsContact O-N 3.07Å; A235-K239 WeakPolarHBondContact O-CG 3.17Å; A235-K239 PolarHBondContact O-N 3.37Å
236F88.8Confident87.5Confident0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-65.2-45.5172.3-80.5-84.7000111.9V107 L109 R194 F202 M205 Y219 Q232 K234 D238 K239 V240 V242V107-F236 HydrophobicContact CB-CD1 4.19Å; V107-F236 HydrophobicContact CB-CE1 4.24Å; V107-F236 HydrophobicContact CG2-CD1 4.12Å; L109-F236 HydrophobicContact CD2-CE2 3.92Å; L109-F236 HydrophobicContact CD2-CZ 4.43Å; R194-F236 HydrophobicContact CB-CZ 4.25Å; F202-F236 AromaticContact CE1-CD1 3.86Å; F202-F236 HydrophobicContact CE1-CD1 3.86Å; F202-F236 HydrophobicContact CE1-CD2 4.34Å; F202-F236 AromaticContact CE1-CE1 3.96Å; F202-F236 HydrophobicContact CE1-CE1 3.96Å; F202-F236 HydrophobicContact CE1-CE2 4.42Å; F202-F236 HydrophobicContact CE1-CG 4.05Å; F202-F236 HydrophobicContact CE1-CZ 4.24Å; F202-F236 HydrophobicContact CZ-CD1 4.19Å; F202-F236 HydrophobicContact CZ-CD2 4.11Å; F202-F236 AromaticContact CZ-CE1 3.92Å; F202-F236 HydrophobicContact CZ-CE1 3.92Å; F202-F236 AromaticContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CE2 3.83Å; F202-F236 HydrophobicContact CZ-CG 4.27Å; F202-F236 AromaticContact CZ-CZ 3.73Å; F202-F236 HydrophobicContact CZ-CZ 3.73Å; M205-F236 HydrophobicContact CE-CD1 3.75Å; M205-F236 HydrophobicContact CE-CE1 3.95Å; M205-F236 HydrophobicContact SD-CD1 3.84Å; M205-F236 HydrophobicContact SD-CE1 3.7Å; Y219-F236 HydrophobicContact CD2-CB 4.23Å; Y219-F236 HydrophobicContact CD2-CD1 4.5Å; Y219-F236 HydrophobicContact CD2-CD2 4.09Å; Y219-F236 HydrophobicContact CD2-CG 4.02Å; Y219-F236 HydrophobicContact CE2-CB 4.38Å; Y219-F236 AromaticContact CE2-CD2 3.51Å; Y219-F236 HydrophobicContact CE2-CD2 3.51Å; Y219-F236 AromaticContact CE2-CE2 3.92Å; Y219-F236 HydrophobicContact CE2-CE2 3.92Å; Y219-F236 AromaticContact CE2-CG 3.92Å; Y219-F236 HydrophobicContact CE2-CG 3.92Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.47Å; Q232-F236 PolarHBondContact O-N 3.09Å; K234-F236 VanDerWaalsContact C-N 3.3Å; K234-F236 PolarHBondContact O-N 3.11Å; F236-D238 VanDerWaalsContact C-N 3.33Å; F236-D238 PolarHBondContact O-N 3.03Å; F236-K239 PolarHBondContact O-N 3.21Å; F236-V240 WeakPolarHBondContact O-CG2 3.3Å; F236-V240 PolarHBondContact O-N 2.66Å; F236-V242 HydrophobicContact CB-CG2 4.12Å
237K89.6Confident88.2Confident65 Ų6540.9 Ų40.928%0.28322%0.218SC..Hα-helixtrans-63.4-36.1179.3-175.466.6-177-166.50113.4A233 K234 K239 V240 V242 T266A233-K237 WeakPolarHBondContact O-CB 3.29Å; A233-K237 PolarHBondContact O-N 3.47Å; K234-K237 PolarHBondContact O-N 3.4Å; K234-K237 VanDerWaalsContact O-N 3.1Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.93Å; K237-V240 CarbonylContact C-O 3.6Å; K237-V240 WeakPolarHBondContact CA-O 3.48Å; K237-V240 VanDerWaalsContact O-O 3.07Å; K237-V242 HydrophobicContact CD-CB 4.05Å; K237-V242 PolarHBondContact NZ-O 3.29Å; K237-T266 HydrophobicContact CB-CG2 4.31Å; K237-T266 VanDerWaalsContact CE-O 3.29Å; K237-T266 WeakPolarHBondContact CE-O 3.41Å; K237-T266 PolarHBondContact NZ-O 3.41Å
238D89.4Confident88.9Confident115 Ų11537.4 Ų37.462%0.61520%0.203SC*.Hα-helixtrans-72.5-23-179.3-69-13.6000112K234 F236K234-D238 WeakPolarHBondContact CG-OD2 3.49Å; K234-D238 WeakPolarHBondContact O-CB 3.33Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 2.94Å; F236-D238 VanDerWaalsContact C-N 3.33Å; F236-D238 PolarHBondContact O-N 3.03Å
239K87.6Confident89.2Confident93 Ų9339.1 Ų39.140%0.40420%0.2SC..Hα-helixtrans-102.7-38.2-177.3-70.6-68.6-170.8170.10113.8F202 A235 F236 K237F202-K239 HydrophobicContact CB-CG 4.44Å; F202-K239 HydrophobicContact CD1-CB 3.73Å; F202-K239 HydrophobicContact CD1-CG 3.68Å; F202-K239 HydrophobicContact CE1-CB 4.37Å; F202-K239 HydrophobicContact CE1-CG 4.38Å; F202-K239 HydrophobicContact CG-CG 4.36Å; A235-K239 WeakPolarHBondContact O-CG 3.17Å; A235-K239 PolarHBondContact O-N 3.37Å; F236-K239 PolarHBondContact O-N 3.21Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.93Å
240V87.1Confident89.1Confident6 Ų639.5 Ų39.54%0.03620%0.202CC..SBendtrans-131147.4177.1-720000109.9M205 L206 I217 F236 K237 V242M205-V240 HydrophobicContact CE-CB 4.31Å; M205-V240 HydrophobicContact CE-CG1 3.75Å; M205-V240 HydrophobicContact CE-CG2 3.56Å; M205-V240 HydrophobicContact CG-CG1 4.23Å; M205-V240 HydrophobicContact SD-CG1 4.44Å; M205-V240 HydrophobicContact SD-CG2 4.11Å; L206-V240 HydrophobicContact CD1-CG1 4.39Å; I217-V240 HydrophobicContact CD1-CB 4.04Å; I217-V240 HydrophobicContact CG2-CG2 4.42Å; F236-V240 WeakPolarHBondContact O-CG2 3.3Å; F236-V240 PolarHBondContact O-N 2.66Å; K237-V240 CarbonylContact C-O 3.6Å; K237-V240 WeakPolarHBondContact CA-O 3.48Å; K237-V240 VanDerWaalsContact O-O 3.07Å; V240-V242 HydrophobicContact CG2-CG2 4.07Å; V240-V242 PolarHBondContact O-N 3.33Å
241E88.8Confident88.8Confident156 Ų15640 Ų4073%0.72921%0.207SC*.  trans-75.472.2-176.5-163.8177.4177.800111.7A243E241-A243 PolarHBondContact O-N 3.07Å; E241-A243 VanDerWaalsContact O-N 3.08Å
242V91.3Very high88.2Confident0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-60.6114.1175.7176.80000108.9V107 I217 Y219 F236 K237 V240 S268V107-V242 HydrophobicContact CG2-CG2 4.35Å; I217-V242 HydrophobicContact CG2-CG2 4.34Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; F236-V242 HydrophobicContact CB-CG2 4.12Å; K237-V242 HydrophobicContact CD-CB 4.05Å; K237-V242 PolarHBondContact NZ-O 3.29Å; V240-V242 HydrophobicContact CG2-CG2 4.07Å; V240-V242 PolarHBondContact O-N 3.33Å; V242-S268 PolarHBondContact O-OG 3.29Å
243A91.1Very high87Confident36 Ų3647.1 Ų47.130%0.29824%0.239SC..EExtended strand (participates in β ladder)trans-103-21.1-178.400000112.7N216 I217 E241 S268 P269N216-A243 WeakPolarHBondContact OD1-CB 3.47Å; I217-A243 PolarHBondContact O-N 2.87Å; E241-A243 PolarHBondContact O-N 3.07Å; E241-A243 VanDerWaalsContact O-N 3.08Å; A243-S268 WeakPolarHBondContact O-CB 3.46Å; A243-P269 WeakPolarHBondContact O-CD 3.24Å
244S93.8Very high85.9Confident0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-140.9154.3-178.2-570000112.3N216 I217 V218 Y219N216-S244 PolarHBondContact ND2-OG 2.87Å; N216-S244 VanDerWaalsContact ND2-OG 3.17Å; N216-S244 PolarHBondContact OD1-OG 3.29Å; I217-S244 PolarHBondContact O-N 3.05Å; V218-S244 WeakPolarHBondContact CA-O 3.43Å; Y219-S244 PolarHBondContact N-O 3.43Å
245V93.4Very high84.9Confident0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-120.2140175.5-1790000110.7Y219 M221 V247 P269 I270 I271Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.45Å; Y219-V245 WeakPolarHBondContact O-CA 3.31Å; M221-V245 HydrophobicContact CG-CG1 4.02Å; M221-V245 HydrophobicContact SD-CG1 4.09Å; V245-V247 HydrophobicContact CG1-CG2 4.42Å; V245-P269 PolarHBondContact N-O 3.26Å; V245-I270 HydrophobicContact CB-CG1 4.21Å; V245-I270 HydrophobicContact CG1-CG1 4.32Å; V245-I270 CarbonylContact O-C 3.58Å; V245-I270 VanDerWaalsContact O-CA 3.3Å; V245-I270 WeakPolarHBondContact O-CA 3.44Å; V245-I271 WeakPolarHBondContact O-CG1 3.42Å; V245-I271 PolarHBondContact O-N 3.42Å
246I94.2Very high84Confident0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-120.3132.3166.5-64179.5000109.1F106 T117 V218 Y219 V220 M221 T248 I271 F272F106-I246 HydrophobicContact CE1-CD1 4.11Å; F106-I246 HydrophobicContact CZ-CD1 4.1Å; T117-I246 HydrophobicContact CG2-CB 4.4Å; T117-I246 HydrophobicContact CG2-CD1 3.79Å; T117-I246 HydrophobicContact CG2-CG2 3.7Å; V218-I246 HydrophobicContact CG1-CB 4.21Å; V218-I246 HydrophobicContact CG1-CD1 3.62Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; Y219-I246 PolarHBondContact O-N 3.28Å; V220-I246 WeakPolarHBondContact CA-O 3.39Å; V220-I246 HydrophobicContact CG2-CB 4.48Å; M221-I246 WeakPolarHBondContact CG-O 3.49Å; M221-I246 PolarHBondContact N-O 3.08Å; I246-T248 HydrophobicContact CG2-CG2 4.31Å; I246-I271 HydrophobicContact CD1-CD1 4.2Å; I246-I271 HydrophobicContact CD1-CG1 4.32Å; I246-I271 HydrophobicContact CG1-CD1 4.09Å; I246-I271 HydrophobicContact CG1-CG1 3.74Å; I246-F272 HydrophobicContact CD1-CB 4.14Å; I246-F272 HydrophobicContact CD1-CD2 4.21Å; I246-F272 HydrophobicContact CG1-CB 4.03Å; I246-F272 HydrophobicContact CG2-CB 4.23Å
247V91.5Very high83.2Confident2 Ų245.1 Ų45.11%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-104.6119.9178.6-172.50000109.3M221 A223 V245 L250 A259 I270 F272 I273 G274M221-V247 HydrophobicContact CG-CB 4.44Å; M221-V247 HydrophobicContact CG-CG1 4.5Å; M221-V247 HydrophobicContact CG-CG2 4.07Å; M221-V247 HydrophobicContact SD-CG2 4.13Å; A223-V247 HydrophobicContact CB-CG1 4.01Å; V245-V247 HydrophobicContact CG1-CG2 4.42Å; V247-L250 HydrophobicContact CB-CD1 4.1Å; V247-L250 HydrophobicContact CG1-CD1 3.87Å; V247-L250 HydrophobicContact CG1-CD2 4.09Å; V247-L250 HydrophobicContact CG1-CG 3.97Å; V247-A259 HydrophobicContact CG1-CB 4.12Å; V247-A259 HydrophobicContact CG2-CB 3.67Å; V247-I270 HydrophobicContact CG2-CD1 4.05Å; V247-I270 HydrophobicContact CG2-CG1 4.33Å; V247-I270 HydrophobicContact CG2-CG2 4.03Å; V247-F272 PolarHBondContact N-O 2.93Å; V247-I273 HydrophobicContact CB-CG2 4.37Å; V247-I273 CarbonylContact O-C 3.53Å; V247-I273 WeakPolarHBondContact O-CA 3.27Å; V247-G274 PolarHBondContact O-N 2.92Å
248T91.8Very high82.5Confident7 Ų742 Ų424%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-104.6169.9-178.1680000111.9S112 T117 V220 M221 A223 I246 L250S112-T248 WeakPolarHBondContact O-CG2 3.36Å; S112-T248 PolarHBondContact O-OG1 3.3Å; T117-T248 VanDerWaalsContact OG1-CG2 3.31Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.32Å; V220-T248 HydrophobicContact CG1-CG2 3.47Å; V220-T248 VanDerWaalsContact CG1-CG2 3.47Å; M221-T248 PolarHBondContact O-N 2.69Å; M221-T248 PolarHBondContact O-OG1 3.2Å; A223-T248 VanDerWaalsContact CB-O 3.23Å; A223-T248 WeakPolarHBondContact CB-O 3.37Å; A223-T248 PolarHBondContact N-O 3.21Å; A223-T248 VanDerWaalsContact N-O 3.07Å; I246-T248 HydrophobicContact CG2-CG2 4.31Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 2.68Å
249K88.3Confident82Confident89 Ų8937.1 Ų37.139%0.38719%0.193SC..  trans59.233.8175.2-51.6-173.8-164.5164.20114.2G111 D222 D251 G252 G274G111-K249 WeakPolarHBondContact O-CE 3.46Å; G111-K249 PolarHBondContact O-NZ 3.1Å; D222-K249 WeakPolarHBondContact OD2-CD 3.29Å; D222-K249 WeakPolarHBondContact OD2-CE 3.33Å; D222-K249 IonicContact OD2-NZ 2.69Å; D222-K249 PolarHBondContact OD2-NZ 3.28Å; K249-D251 VanDerWaalsContact C-OD1 3.31Å; K249-D251 VanDerWaalsContact CA-OD1 3.29Å; K249-D251 WeakPolarHBondContact CA-OD1 3.49Å; K249-D251 PolarHBondContact O-N 2.86Å; K249-G252 PolarHBondContact O-N 3.34Å; K249-G274 PolarHBondContact N-O 2.66Å
250L82Confident81.5Confident8 Ų833.7 Ų33.74%0.04218%0.179CC..THydrogen-bonded Turntrans-76.7-9.9177.6-75.6169.5000113.7M1 L3 A223 V247 T248 I273 G274M1-L250 VanDerWaalsContact CE-O 3.31Å; M1-L250 WeakPolarHBondContact CE-O 3.34Å; L3-L250 HydrophobicContact CD1-CD2 3.87Å; A223-L250 HydrophobicContact CB-CD2 3.61Å; A223-L250 HydrophobicContact CB-CG 4.12Å; V247-L250 HydrophobicContact CB-CD1 4.1Å; V247-L250 HydrophobicContact CG1-CD1 3.87Å; V247-L250 HydrophobicContact CG1-CD2 4.09Å; V247-L250 HydrophobicContact CG1-CG 3.97Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 2.68Å; L250-I273 HydrophobicContact CD1-CB 3.57Å; L250-I273 HydrophobicContact CD1-CG2 3.45Å; L250-I273 VanDerWaalsContact CD1-CG2 3.45Å; L250-G274 PolarHBondContact N-O 2.84Å
251D78.4Confident81.1Confident70 Ų7033.4 Ų33.437%0.37418%0.177SC..THydrogen-bonded Turntrans-71.6-26.7167.653.3-58.7000113.6K249 T275 G276K249-D251 VanDerWaalsContact C-OD1 3.31Å; K249-D251 VanDerWaalsContact CA-OD1 3.29Å; K249-D251 WeakPolarHBondContact CA-OD1 3.49Å; K249-D251 PolarHBondContact O-N 2.86Å; D251-T275 WeakPolarHBondContact CB-O 3.37Å; D251-G276 PolarHBondContact OD1-N 3.2Å
252G72.5Confident80.8Confident27 Ų2726 Ų2628%0.27814%0.143SC..SBendtrans-75.1-168.4-176.300000114.9K249 A254K249-G252 PolarHBondContact O-N 3.34Å; G252-A254 PolarHBondContact O-N 3.29Å
253H63.3Low80.4Confident176 Ų17626.1 Ų26.182%0.81514%0.144SC*.SBendtrans-79.315.6170.6-70.3-79.3000113.4V2V2-H253 VanDerWaalsContact CG2-C 3.48Å; V2-H253 HydrophobicContact CG2-CB 4.12Å; V2-H253 WeakPolarHBondContact CG2-O 3.42Å
254A64.3Low79.8Confident12 Ų1225.5 Ų25.510%0.09914%0.138CC..  trans-73.4130.5-178.400000110.7V2 A223 G252 G256V2-A254 WeakPolarHBondContact CB-O 3.45Å; A223-A254 HydrophobicContact CB-CB 3.53Å; G252-A254 PolarHBondContact O-N 3.29Å; A254-G256 VanDerWaalsContact C-N 3.29Å; A254-G256 PolarHBondContact O-N 3.47Å
255K66.6Low79.3Confident74 Ų7426.6 Ų26.632%0.32215%0.148SC..  trans-74.6-16.3-174.7-67.6153.9169.2-166.50114.6V2 E41 A42 D43 G257V2-K255 HydrophobicContact CG1-CB 3.98Å; V2-K255 HydrophobicContact CG1-CG 3.54Å; E41-K255 WeakPolarHBondContact O-CD 3.35Å; E41-K255 WeakPolarHBondContact O-CE 3.31Å; E41-K255 PolarHBondContact O-NZ 2.91Å; A42-K255 HydrophobicContact CB-CB 4.12Å; A42-K255 VanDerWaalsContact O-CB 3.22Å; A42-K255 WeakPolarHBondContact O-CB 3.36Å; D43-K255 HydrophobicContact CB-CD 4.44Å; D43-K255 IonicContact OD1-NZ 3.37Å; D43-K255 PolarHBondContact OD1-NZ 3.41Å; D43-K255 VanDerWaalsContact OD1-NZ 3.13Å; D43-K255 WeakPolarHBondContact OD2-CD 3.49Å; D43-K255 IonicContact OD2-NZ 3.26Å; D43-K255 PolarHBondContact OD2-NZ 3.32Å; D43-K255 VanDerWaalsContact OD2-NZ 3.16Å; K255-G257 PolarHBondContact O-N 2.84Å; K255-G257 VanDerWaalsContact O-N 3.1Å
256G69.9Low78.9Confident8 Ų826.7 Ų26.78%0.08215%0.148CC..  trans73.7-6.4172.500000115.4A223 A254 G258 A259A223-G256 PolarHBondContact O-N 3.33Å; A254-G256 VanDerWaalsContact C-N 3.29Å; A254-G256 PolarHBondContact O-N 3.47Å; G256-G258 PolarHBondContact O-N 2.84Å; G256-A259 WeakPolarHBondContact O-CB 3.48Å; G256-A259 PolarHBondContact O-N 2.88Å
257G72.4Confident78.6Confident3 Ų333 Ų333%0.03118%0.175CC..Hα-helixtrans-64.7-20179.400000114.8A42 D43 K255 A259 L260 S261A42-G257 VanDerWaalsContact O-CA 3.27Å; A42-G257 WeakPolarHBondContact O-CA 3.33Å; A42-G257 PolarHBondContact O-N 2.77Å; D43-G257 CarbonylContact O-C 3.54Å; K255-G257 PolarHBondContact O-N 2.84Å; K255-G257 VanDerWaalsContact O-N 3.1Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.31Å; G257-L260 PolarHBondContact O-N 3.26Å; G257-S261 PolarHBondContact O-OG 3Å
258G75.6Confident78.5Confident0 Ų033.1 Ų33.10%018%0.176CC..Hα-helixtrans-59.6-35.5169.900000112.6M221 C229 G256 L260 S261 A262M221-G258 VanDerWaalsContact CE-C 3.41Å; C229-G258 PolarHBondContact SG-O 2.92Å; G256-G258 PolarHBondContact O-N 2.84Å; G258-L260 VanDerWaalsContact C-N 3.33Å; G258-L260 PolarHBondContact O-N 3.22Å; G258-S261 CarbonylContact O-C 3.44Å; G258-S261 WeakPolarHBondContact O-CA 3.43Å; G258-S261 WeakPolarHBondContact O-CB 3.5Å; G258-S261 PolarHBondContact O-N 2.88Å; G258-A262 PolarHBondContact O-N 2.92Å
259A78.1Confident78.5Confident12 Ų1233.3 Ų33.310%0.09918%0.178CC..Hα-helixtrans-61.4-41.6-177.600000112.3M221 V247 G256 G257 S261 A262 V263 I270M221-A259 HydrophobicContact CE-CB 4.25Å; M221-A259 HydrophobicContact SD-CB 4.34Å; V247-A259 HydrophobicContact CG1-CB 4.12Å; V247-A259 HydrophobicContact CG2-CB 3.67Å; G256-A259 WeakPolarHBondContact O-CB 3.48Å; G256-A259 PolarHBondContact O-N 2.88Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.31Å; A259-S261 PolarHBondContact O-N 3.3Å; A259-A262 PolarHBondContact O-N 3.01Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 2.81Å; A259-V263 VanDerWaalsContact O-N 3.09Å; A259-I270 HydrophobicContact CB-CD1 4.25Å
260L76.4Confident78.7Confident22 Ų2229.7 Ų29.712%0.11516%0.162CC..Hα-helixtrans-59.6-40.1174.2-59.3-177.7000111.5V44 V87 G257 G258 A264V44-L260 HydrophobicContact CG1-CD1 3.95Å; V44-L260 HydrophobicContact CG2-CD1 3.8Å; V87-L260 HydrophobicContact CB-CD2 4.02Å; V87-L260 HydrophobicContact CG1-CD2 4.2Å; V87-L260 HydrophobicContact CG2-CD2 3.16Å; G257-L260 PolarHBondContact O-N 3.26Å; G258-L260 VanDerWaalsContact C-N 3.33Å; G258-L260 PolarHBondContact O-N 3.22Å; L260-A264 WeakPolarHBondContact O-CB 2.99Å; L260-A264 PolarHBondContact O-N 2.73Å
261S80Confident79.2Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-70.8-36.6-179.4-51.60000111.8G257 G258 A259 A265G257-S261 PolarHBondContact O-OG 3Å; G258-S261 CarbonylContact O-C 3.44Å; G258-S261 WeakPolarHBondContact O-CA 3.43Å; G258-S261 WeakPolarHBondContact O-CB 3.5Å; G258-S261 PolarHBondContact O-N 2.88Å; A259-S261 PolarHBondContact O-N 3.3Å; S261-A265 WeakPolarHBondContact O-CB 3.49Å; S261-A265 PolarHBondContact O-N 3.26Å
262A81.6Confident79.9Confident0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-65.4-45.2175.100000112.4Y219 M221 A233 G258 A259 A264 A265 T266Y219-A262 HydrophobicContact CE1-CB 4.48Å; M221-A262 HydrophobicContact CE-CB 4.45Å; M221-A262 HydrophobicContact SD-CB 3.34Å; M221-A262 WeakPolarHBondContact SD-CB 3.41Å; A233-A262 HydrophobicContact CB-CB 4.07Å; G258-A262 PolarHBondContact O-N 2.92Å; A259-A262 PolarHBondContact O-N 3.01Å; A262-A264 VanDerWaalsContact C-N 3.35Å; A262-A265 PolarHBondContact O-N 3.47Å; A262-T266 WeakPolarHBondContact O-CB 3.3Å; A262-T266 WeakPolarHBondContact O-CG2 2.96Å; A262-T266 PolarHBondContact O-N 3.18Å; A262-T266 PolarHBondContact O-OG1 2.78Å
263V82.9Confident80.8Confident3 Ų327 Ų272%0.01814%0.141CC..Hα-helixtrans-63.2-45.2177.4176.40000110.5V87 P89 A259 A265 T266 K267 I270V87-V263 WeakPolarHBondContact O-CG1 3.09Å; P89-V263 HydrophobicContact CB-CG1 4.05Å; P89-V263 HydrophobicContact CG-CG1 4.08Å; A259-V263 WeakPolarHBondContact O-CG2 3.49Å; A259-V263 PolarHBondContact O-N 2.81Å; A259-V263 VanDerWaalsContact O-N 3.09Å; V263-A265 PolarHBondContact O-N 3.09Å; V263-T266 PolarHBondContact O-N 3.48Å; V263-K267 WeakPolarHBondContact O-CA 3.49Å; V263-K267 PolarHBondContact O-N 3.16Å; V263-I270 HydrophobicContact CG2-CD1 3.56Å; V263-I270 HydrophobicContact CG2-CG1 3.44Å; V263-I270 VanDerWaalsContact CG2-CG1 3.44Å
264A78.7Confident82.1Confident22 Ų2218.9 Ų18.918%0.18210%0.104CC..Hα-helixtrans-59.3-37.2178.600000112.5L48 L260 A262 K267L48-A264 HydrophobicContact CD1-CB 3.82Å; L48-A264 HydrophobicContact CD2-CB 3.85Å; L48-A264 HydrophobicContact CG-CB 4.48Å; L260-A264 WeakPolarHBondContact O-CB 2.99Å; L260-A264 PolarHBondContact O-N 2.73Å; A262-A264 VanDerWaalsContact C-N 3.35Å; A264-K267 VanDerWaalsContact O-CE 3.29Å; A264-K267 WeakPolarHBondContact O-CE 3.39Å; A264-K267 PolarHBondContact O-NZ 2.88Å
265A83.4Confident83.1Confident24 Ų2419.7 Ų19.720%0.19811%0.109CC..Hα-helixtrans-78.7-45.7179.800000113.6E230 A233 K234 S261 A262 V263E230-A265 HydrophobicContact CG-CB 4.08Å; A233-A265 HydrophobicContact CB-CB 4.22Å; K234-A265 HydrophobicContact CB-CB 4.37Å; S261-A265 WeakPolarHBondContact O-CB 3.49Å; S261-A265 PolarHBondContact O-N 3.26Å; A262-A265 PolarHBondContact O-N 3.47Å; V263-A265 PolarHBondContact O-N 3.09Å
266T85.2Confident84.1Confident1 Ų116.9 Ų16.91%0.00610%0.101CC..Hα-helixtrans-83.8-23-173.956.80000113.3A233 K237 A262 V263 S268A233-T266 HydrophobicContact CB-CG2 3.72Å; K237-T266 HydrophobicContact CB-CG2 4.31Å; K237-T266 VanDerWaalsContact CE-O 3.29Å; K237-T266 WeakPolarHBondContact CE-O 3.41Å; K237-T266 PolarHBondContact NZ-O 3.41Å; A262-T266 WeakPolarHBondContact O-CB 3.3Å; A262-T266 WeakPolarHBondContact O-CG2 2.96Å; A262-T266 PolarHBondContact O-N 3.18Å; A262-T266 PolarHBondContact O-OG1 2.78Å; V263-T266 PolarHBondContact O-N 3.48Å; T266-S268 PolarHBondContact O-N 3.18Å; T266-S268 PolarHBondContact O-OG 3.47Å; T266-S268 PolarHBondContact OG1-N 2.96Å
267K87.9Confident85Confident133 Ų13324.7 Ų24.758%0.57814%0.135SC*.  trans56.122.8-167.2-53.5-55.3-172.1-162.90113.2P89 V263 A264P89-K267 WeakPolarHBondContact CB-O 3.25Å; V263-K267 WeakPolarHBondContact O-CA 3.49Å; V263-K267 PolarHBondContact O-N 3.16Å; A264-K267 VanDerWaalsContact O-CE 3.29Å; A264-K267 WeakPolarHBondContact O-CE 3.39Å; A264-K267 PolarHBondContact O-NZ 2.88Å
268S90.1Very high85.8Confident4 Ų430.8 Ų30.83%0.02816%0.162CC..  trans-107.9137.5-176.8-59.90000110V242 A243 T266V242-S268 PolarHBondContact O-OG 3.29Å; A243-S268 WeakPolarHBondContact O-CB 3.46Å; T266-S268 PolarHBondContact O-N 3.18Å; T266-S268 PolarHBondContact O-OG 3.47Å; T266-S268 PolarHBondContact OG1-N 2.96Å
269P91.7Very high86.4Confident12 Ų1233.1 Ų33.18%0.07817%0.174CC..  trans-69.9147.4-17827.6-34.8000111.6P89 A93 A243 V245P89-P269 HydrophobicContact CG-CB 3.94Å; A93-P269 HydrophobicContact CB-CG 4.2Å; A243-P269 WeakPolarHBondContact O-CD 3.24Å; V245-P269 PolarHBondContact N-O 3.26Å
270I91.2Very high86.8Confident12 Ų1237.2 Ų37.26%0.06220%0.195CC..EExtended strand (participates in β ladder)trans-76.1125.1166.9-57.1166.7000107.4V87 V245 V247 A259 V263 I273 F285V87-I270 HydrophobicContact CG1-CD1 4.42Å; V245-I270 HydrophobicContact CB-CG1 4.21Å; V245-I270 HydrophobicContact CG1-CG1 4.32Å; V245-I270 CarbonylContact O-C 3.58Å; V245-I270 VanDerWaalsContact O-CA 3.3Å; V245-I270 WeakPolarHBondContact O-CA 3.44Å; V247-I270 HydrophobicContact CG2-CD1 4.05Å; V247-I270 HydrophobicContact CG2-CG1 4.33Å; V247-I270 HydrophobicContact CG2-CG2 4.03Å; A259-I270 HydrophobicContact CB-CD1 4.25Å; V263-I270 HydrophobicContact CG2-CD1 3.56Å; V263-I270 HydrophobicContact CG2-CG1 3.44Å; V263-I270 VanDerWaalsContact CG2-CG1 3.44Å; I270-I273 HydrophobicContact CG2-CG2 4.46Å; I270-F285 HydrophobicContact CB-CB 4.35Å; I270-F285 HydrophobicContact CB-CD1 3.55Å; I270-F285 HydrophobicContact CB-CE1 3.88Å; I270-F285 HydrophobicContact CB-CG 3.9Å; I270-F285 HydrophobicContact CB-CZ 4.49Å; I270-F285 HydrophobicContact CD1-CE1 4.14Å; I270-F285 HydrophobicContact CD1-CE2 4.48Å; I270-F285 HydrophobicContact CD1-CZ 4.07Å; I270-F285 HydrophobicContact CG2-CB 3.74Å; I270-F285 HydrophobicContact CG2-CD1 3.8Å; I270-F285 HydrophobicContact CG2-CD2 4Å; I270-F285 HydrophobicContact CG2-CE1 4.37Å; I270-F285 HydrophobicContact CG2-CG 3.56Å; I270-F285 WeakPolarHBondContact O-CD1 3.24Å
271I93Very high87.5Confident20 Ų2038 Ų3810%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-101.6-32.9-177.354.9165.2000112.8A93 V218 V245 I246 F285A93-I271 HydrophobicContact CB-CG2 3.64Å; V218-I271 HydrophobicContact CG2-CD1 4.2Å; V245-I271 WeakPolarHBondContact O-CG1 3.42Å; V245-I271 PolarHBondContact O-N 3.42Å; I246-I271 HydrophobicContact CD1-CD1 4.2Å; I246-I271 HydrophobicContact CD1-CG1 4.32Å; I246-I271 HydrophobicContact CG1-CD1 4.09Å; I246-I271 HydrophobicContact CG1-CG1 3.74Å; I271-F285 PolarHBondContact O-N 2.95Å
272F93.4Very high88Confident10 Ų1038.5 Ų38.54%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-144.4157.9179.9-68.6-87000111.9L121 Y124 I246 V247 L282 E283 P284L121-F272 HydrophobicContact CD1-CD2 3.79Å; L121-F272 HydrophobicContact CD1-CE2 3.45Å; L121-F272 VanDerWaalsContact CD1-CE2 3.45Å; L121-F272 HydrophobicContact CD1-CG 4.5Å; L121-F272 HydrophobicContact CD1-CZ 3.87Å; Y124-F272 HydrophobicContact CD1-CE1 4.02Å; Y124-F272 AromaticContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD1-CZ 3.9Å; Y124-F272 HydrophobicContact CD2-CE1 4.26Å; Y124-F272 AromaticContact CE1-CE1 3.71Å; Y124-F272 HydrophobicContact CE1-CE1 3.71Å; Y124-F272 AromaticContact CE1-CZ 3.55Å; Y124-F272 HydrophobicContact CE1-CZ 3.55Å; Y124-F272 AromaticContact CE2-CE1 3.97Å; Y124-F272 HydrophobicContact CE2-CE1 3.97Å; Y124-F272 HydrophobicContact CG-CE1 4.27Å; Y124-F272 AromaticContact CZ-CE1 3.64Å; Y124-F272 AromaticContact CZ-CZ 3.93Å; I246-F272 HydrophobicContact CD1-CB 4.14Å; I246-F272 HydrophobicContact CD1-CD2 4.21Å; I246-F272 HydrophobicContact CG1-CB 4.03Å; I246-F272 HydrophobicContact CG2-CB 4.23Å; V247-F272 PolarHBondContact N-O 2.93Å; F272-L282 HydrophobicContact CB-CD1 3.79Å; F272-L282 HydrophobicContact CB-CG 4.15Å; F272-L282 HydrophobicContact CD1-CD1 4.5Å; F272-L282 HydrophobicContact CD1-CD2 4.07Å; F272-L282 HydrophobicContact CD1-CG 3.91Å; F272-L282 HydrophobicContact CG-CD1 4.38Å; F272-L282 HydrophobicContact CG-CD2 4.28Å; F272-L282 HydrophobicContact CG-CG 4.24Å; F272-E283 CarbonylContact C-O 3.53Å; F272-E283 VanDerWaalsContact CA-O 3.31Å; F272-E283 WeakPolarHBondContact CA-O 3.45Å; F272-E283 WeakPolarHBondContact CD1-O 3.31Å; F272-P284 HydrophobicContact CD1-CB 4.36Å; F272-P284 HydrophobicContact CE1-CB 4.13Å
273I90.7Very high88.3Confident19 Ų1940.8 Ų40.810%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-124.1133.1170.852.1169.4000110.6V247 L250 I270 T275 E283 F285V247-I273 HydrophobicContact CB-CG2 4.37Å; V247-I273 CarbonylContact O-C 3.53Å; V247-I273 WeakPolarHBondContact O-CA 3.27Å; L250-I273 HydrophobicContact CD1-CB 3.57Å; L250-I273 HydrophobicContact CD1-CG2 3.45Å; L250-I273 VanDerWaalsContact CD1-CG2 3.45Å; I270-I273 HydrophobicContact CG2-CG2 4.46Å; I273-T275 HydrophobicContact CD1-CG2 4.13Å; I273-T275 HydrophobicContact CG1-CG2 4.3Å; I273-E283 HydrophobicContact CD1-CB 4.41Å; I273-E283 HydrophobicContact CG1-CB 3.97Å; I273-E283 WeakPolarHBondContact CG1-O 3.38Å; I273-E283 PolarHBondContact N-O 2.96Å; I273-E283 PolarHBondContact O-N 3.4Å; I273-F285 HydrophobicContact CG2-CB 4.3Å; I273-F285 HydrophobicContact CG2-CD2 3.54Å; I273-F285 HydrophobicContact CG2-CE2 4.3Å; I273-F285 HydrophobicContact CG2-CG 4.31Å
274G90.5Very high88.6Confident5 Ų543.7 Ų43.75%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-92.6117.1173.300000110.5V247 K249 L250V247-G274 PolarHBondContact O-N 2.92Å; K249-G274 PolarHBondContact N-O 2.66Å; L250-G274 PolarHBondContact N-O 2.84Å
275T86.3Confident89Confident30 Ų3043.7 Ų43.718%0.18423%0.227CC..  trans-113.725.1-171.255.40000113.1D251 I273 D281 E283D251-T275 WeakPolarHBondContact CB-O 3.37Å; I273-T275 HydrophobicContact CD1-CG2 4.13Å; I273-T275 HydrophobicContact CG1-CG2 4.3Å; T275-D281 PolarHBondContact N-O 3.36Å; T275-E283 HydrophobicContact CG2-CG 4.44Å
276G87.1Confident89Confident15 Ų1546.9 Ų46.916%0.15524%0.236CC..SBendtrans164.2-171.4-178.900000112.2K120 D251 D281K120-G276 PolarHBondContact NZ-O 3.46Å; D251-G276 PolarHBondContact OD1-N 3.2Å; G276-D281 VanDerWaalsContact CA-OD2 3.3Å; G276-D281 WeakPolarHBondContact CA-OD2 3.46Å
277E88.3Confident88.9Confident172 Ų17248.1 Ų48.180%0.80424%0.244SC*.SBendtrans-98.5-20.3179.8-64.6-167.8168.500113.1D281E277-D281 PolarHBondContact N-OD2 3.13Å
278H88.9Confident88.6Confident131 Ų13147.1 Ų47.161%0.60624%0.241SC*.SBendtrans-69.7158.5-178.6-57.4-70.7000111.3K120 D280 D281K120-H278 WeakPolarHBondContact CE-O 3.2Å; K120-H278 PolarHBondContact NZ-O 2.67Å; H278-D280 WeakPolarHBondContact CB-OD1 3.3Å; H278-D280 PolarHBondContact O-N 2.87Å; H278-D281 WeakPolarHBondContact CA-OD2 3.41Å; H278-D281 VanDerWaalsContact CB-OD2 3.22Å; H278-D281 WeakPolarHBondContact CB-OD2 3.39Å; H278-D281 IonicContact CD2-OD2 3.73Å; H278-D281 PolarHBondContact CD2-OD2 3.17Å; H278-D281 IonicContact CG-OD2 3.31Å; H278-D281 PolarHBondContact N-OD2 2.6Å; H278-D281 WeakPolarHBondContact O-CB 3.21Å; H278-D281 PolarHBondContact O-N 2.87Å; H278-D281 VanDerWaalsContact O-N 3.13Å
279I89Confident87.9Confident49 Ų4947.6 Ų47.625%0.25124%0.244SC..THydrogen-bonded Turntrans-68.6-24.4-172.2-162.4163.9000113K120 Y123 A155K120-I279 WeakPolarHBondContact CG-O 3.45Å; Y123-I279 HydrophobicContact CD1-CG1 4.04Å; Y123-I279 HydrophobicContact CD1-CG2 4.02Å; Y123-I279 HydrophobicContact CD2-CD1 4.44Å; Y123-I279 HydrophobicContact CE1-CG2 4Å; Y123-I279 HydrophobicContact CG-CD1 4.09Å; Y123-I279 HydrophobicContact CG-CG1 3.98Å; Y123-I279 HydrophobicContact CG-CG2 4.48Å; A155-I279 HydrophobicContact CB-CD1 3.3Å
280D87.4Confident87.3Confident98 Ų9849 Ų4952%0.52425%0.249SC..THydrogen-bonded Turntrans-88.3-10.6177.149.7-37000113.6Y123 H278 L282Y123-D280 HydrophobicContact CE1-CB 4.41Å; H278-D280 WeakPolarHBondContact CB-OD1 3.3Å; H278-D280 PolarHBondContact O-N 2.87Å; D280-L282 PolarHBondContact O-N 3.06Å
281D89.9Confident86.7Confident37 Ų3748.6 Ų48.620%0.19825%0.247CC..  trans-80.257.7177.9-57.9-29000111.6K120 T275 G276 E277 H278K120-D281 PolarHBondContact NZ-O 3.26Å; T275-D281 PolarHBondContact N-O 3.36Å; G276-D281 VanDerWaalsContact CA-OD2 3.3Å; G276-D281 WeakPolarHBondContact CA-OD2 3.46Å; E277-D281 PolarHBondContact N-OD2 3.13Å; H278-D281 WeakPolarHBondContact CA-OD2 3.41Å; H278-D281 VanDerWaalsContact CB-OD2 3.22Å; H278-D281 WeakPolarHBondContact CB-OD2 3.39Å; H278-D281 IonicContact CD2-OD2 3.73Å; H278-D281 PolarHBondContact CD2-OD2 3.17Å; H278-D281 IonicContact CG-OD2 3.31Å; H278-D281 PolarHBondContact N-OD2 2.6Å; H278-D281 WeakPolarHBondContact O-CB 3.21Å; H278-D281 PolarHBondContact O-N 2.87Å; H278-D281 VanDerWaalsContact O-N 3.13Å
282L91.4Very high85.9Confident12 Ų1248.8 Ų48.86%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-137116.9172.2-17474.6000109.2T117 K120 L121 F272 D280T117-L282 HydrophobicContact CG2-CD1 4.36Å; K120-L282 HydrophobicContact CB-CB 3.86Å; K120-L282 HydrophobicContact CB-CD2 3.81Å; K120-L282 HydrophobicContact CB-CG 4.3Å; K120-L282 HydrophobicContact CD-CB 3.96Å; L121-L282 HydrophobicContact CB-CD2 4.2Å; L121-L282 HydrophobicContact CD1-CD2 4.15Å; F272-L282 HydrophobicContact CB-CD1 3.79Å; F272-L282 HydrophobicContact CB-CG 4.15Å; F272-L282 HydrophobicContact CD1-CD1 4.5Å; F272-L282 HydrophobicContact CD1-CD2 4.07Å; F272-L282 HydrophobicContact CD1-CG 3.91Å; F272-L282 HydrophobicContact CG-CD1 4.38Å; F272-L282 HydrophobicContact CG-CD2 4.28Å; F272-L282 HydrophobicContact CG-CG 4.24Å; D280-L282 PolarHBondContact O-N 3.06Å
283E87.5Confident84.9Confident47 Ų4752.2 Ų52.222%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-115.3141-176.2-54.4-172150.600110.9F272 I273 T275 F285 K306 Q347F272-E283 CarbonylContact C-O 3.53Å; F272-E283 VanDerWaalsContact CA-O 3.31Å; F272-E283 WeakPolarHBondContact CA-O 3.45Å; F272-E283 WeakPolarHBondContact CD1-O 3.31Å; I273-E283 HydrophobicContact CD1-CB 4.41Å; I273-E283 HydrophobicContact CG1-CB 3.97Å; I273-E283 WeakPolarHBondContact CG1-O 3.38Å; I273-E283 PolarHBondContact N-O 2.96Å; I273-E283 PolarHBondContact O-N 3.4Å; T275-E283 HydrophobicContact CG2-CG 4.44Å; E283-F285 PolarHBondContact O-N 2.69Å; E283-K306 IonicContact OE1-NZ 3.43Å; E283-Q347 PolarHBondContact OE1-NE2 3.37Å; E283-Q347 PolarHBondContact OE2-NE2 2.76Å
284P89.6Confident84Confident64 Ų6452.1 Ų52.142%0.41627%0.265SS..EExtended strand (participates in β ladder)trans-63.3136.7173.827.4-33.3000110F272F272-P284 HydrophobicContact CD1-CB 4.36Å; F272-P284 HydrophobicContact CE1-CB 4.13Å
285F86.9Confident82.9Confident22 Ų2252.2 Ų52.210%0.09626%0.264CS..  trans-88.8129.1179.4-176.5-95.8000110.9V87 I270 I271 I273 E283 F290V87-F285 HydrophobicContact CG1-CE1 3.97Å; V87-F285 HydrophobicContact CG1-CZ 3.7Å; I270-F285 HydrophobicContact CB-CB 4.35Å; I270-F285 HydrophobicContact CB-CD1 3.55Å; I270-F285 HydrophobicContact CB-CE1 3.88Å; I270-F285 HydrophobicContact CB-CG 3.9Å; I270-F285 HydrophobicContact CB-CZ 4.49Å; I270-F285 HydrophobicContact CD1-CE1 4.14Å; I270-F285 HydrophobicContact CD1-CE2 4.48Å; I270-F285 HydrophobicContact CD1-CZ 4.07Å; I270-F285 HydrophobicContact CG2-CB 3.74Å; I270-F285 HydrophobicContact CG2-CD1 3.8Å; I270-F285 HydrophobicContact CG2-CD2 4Å; I270-F285 HydrophobicContact CG2-CE1 4.37Å; I270-F285 HydrophobicContact CG2-CG 3.56Å; I270-F285 WeakPolarHBondContact O-CD1 3.24Å; I271-F285 PolarHBondContact O-N 2.95Å; I273-F285 HydrophobicContact CG2-CB 4.3Å; I273-F285 HydrophobicContact CG2-CD2 3.54Å; I273-F285 HydrophobicContact CG2-CE2 4.3Å; I273-F285 HydrophobicContact CG2-CG 4.31Å; E283-F285 PolarHBondContact O-N 2.69Å; F285-F290 HydrophobicContact CD2-CB 4.42Å; F285-F290 HydrophobicContact CD2-CD2 4.33Å; F285-F290 HydrophobicContact CD2-CG 4.38Å; F285-F290 HydrophobicContact CE2-CB 3.67Å; F285-F290 AromaticContact CE2-CD1 3.8Å; F285-F290 HydrophobicContact CE2-CD1 3.8Å; F285-F290 AromaticContact CE2-CD2 3.66Å; F285-F290 HydrophobicContact CE2-CD2 3.66Å; F285-F290 HydrophobicContact CE2-CE1 4.35Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.42Å; F285-F290 HydrophobicContact CE2-CG 3.42Å; F285-F290 VanDerWaalsContact CE2-CG 3.42Å; F285-F290 HydrophobicContact CZ-CB 3.99Å; F285-F290 AromaticContact CZ-CD1 3.98Å; F285-F290 HydrophobicContact CZ-CD1 3.98Å; F285-F290 AromaticContact CZ-CG 3.94Å; F285-F290 HydrophobicContact CZ-CG 3.94Å
286K83Confident81.9Confident92 Ų9253.3 Ų53.340%0.428%0.282SS..  trans-127.5124.4168.7-66.2-178.5176-1790108.6Q288 P289 F290 D305K286-Q288 PolarHBondContact O-N 3.45Å; K286-P289 HydrophobicContact CB-CB 4.18Å; K286-P289 HydrophobicContact CB-CG 3.64Å; K286-P289 HydrophobicContact CD-CG 4.15Å; K286-F290 VanDerWaalsContact O-CB 3.3Å; K286-F290 WeakPolarHBondContact O-CB 3.34Å; K286-F290 PolarHBondContact O-N 3.26Å; K286-D305 IonicContact NZ-OD2 3.48Å; K286-D305 PolarHBondContact NZ-OD2 3.17Å
287T82.7Confident80.8Confident26 Ų2657.9 Ų57.916%0.1630%0.3CS..Hα-helixtrans-60.2-49-172.5-52.50000113V84 V87 D88 F290 I291V84-T287 HydrophobicContact CG1-CG2 4.03Å; V87-T287 HydrophobicContact CB-CG2 3.59Å; V87-T287 HydrophobicContact CG1-CG2 3.77Å; V87-T287 HydrophobicContact CG2-CG2 4.39Å; D88-T287 HydrophobicContact CB-CG2 4.26Å; T287-F290 PolarHBondContact O-N 3.26Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.46Å; T287-I291 PolarHBondContact O-N 2.83Å
288Q81.3Confident79.5Confident112 Ų11250 Ų5052%0.52327%0.265SS..Hα-helixtrans-64.2-52.2-177.5-73.5-17120.800112.7F80 V84 K286 F290 I291 S292F80-Q288 HydrophobicContact CZ-CG 4.49Å; V84-Q288 HydrophobicContact CG1-CG 4.47Å; V84-Q288 HydrophobicContact CG2-CG 4.42Å; K286-Q288 PolarHBondContact O-N 3.45Å; Q288-F290 VanDerWaalsContact C-N 3.28Å; Q288-F290 PolarHBondContact O-N 2.87Å; Q288-I291 PolarHBondContact O-N 3.22Å; Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.17Å; Q288-S292 PolarHBondContact O-N 2.66Å
289P76.2Confident78.4Confident14 Ų1444.6 Ų44.69%0.09124%0.24CC..Hα-helixtrans-50.7-45.1171.2-35.640.6000113.9K286 S292 K293 D299K286-P289 HydrophobicContact CB-CB 4.18Å; K286-P289 HydrophobicContact CB-CG 3.64Å; K286-P289 HydrophobicContact CD-CG 4.15Å; P289-S292 PolarHBondContact O-N 3.27Å; P289-K293 VanDerWaalsContact O-CB 3.29Å; P289-K293 WeakPolarHBondContact O-CB 3.47Å; P289-K293 PolarHBondContact O-N 3.44Å; P289-D299 WeakPolarHBondContact CB-OD1 3.35Å
290F78.6Confident76.9Confident42 Ų4247.2 Ų47.218%0.18425%0.254CS..Hα-helixtrans-62.4-46.9-179.2-179.5-98.3000112.3L3 F285 K286 T287 Q288 K293 L294L3-F290 HydrophobicContact CD1-CE2 3.57Å; L3-F290 HydrophobicContact CD1-CZ 3.62Å; L3-F290 HydrophobicContact CD2-CZ 3.86Å; L3-F290 HydrophobicContact CG-CZ 4.41Å; F285-F290 HydrophobicContact CD2-CB 4.42Å; F285-F290 HydrophobicContact CD2-CD2 4.33Å; F285-F290 HydrophobicContact CD2-CG 4.38Å; F285-F290 HydrophobicContact CE2-CB 3.67Å; F285-F290 AromaticContact CE2-CD1 3.8Å; F285-F290 HydrophobicContact CE2-CD1 3.8Å; F285-F290 AromaticContact CE2-CD2 3.66Å; F285-F290 HydrophobicContact CE2-CD2 3.66Å; F285-F290 HydrophobicContact CE2-CE1 4.35Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.42Å; F285-F290 HydrophobicContact CE2-CG 3.42Å; F285-F290 VanDerWaalsContact CE2-CG 3.42Å; F285-F290 HydrophobicContact CZ-CB 3.99Å; F285-F290 AromaticContact CZ-CD1 3.98Å; F285-F290 HydrophobicContact CZ-CD1 3.98Å; F285-F290 AromaticContact CZ-CG 3.94Å; F285-F290 HydrophobicContact CZ-CG 3.94Å; K286-F290 VanDerWaalsContact O-CB 3.3Å; K286-F290 WeakPolarHBondContact O-CB 3.34Å; K286-F290 PolarHBondContact O-N 3.26Å; T287-F290 PolarHBondContact O-N 3.26Å; Q288-F290 VanDerWaalsContact C-N 3.28Å; Q288-F290 PolarHBondContact O-N 2.87Å; F290-K293 PolarHBondContact O-N 3.39Å; F290-L294 WeakPolarHBondContact O-CB 3.37Å; F290-L294 PolarHBondContact O-N 3.4Å
291I79.3Confident75.6Confident4 Ų447.8 Ų47.82%0.02125%0.253CS..Hα-helixtrans-70.8-35.9178-60.1-59.7000111.3F80 L83 V84 V87 T287 Q288 L294 L295F80-I291 HydrophobicContact CD2-CB 4.44Å; F80-I291 HydrophobicContact CD2-CG2 3.61Å; F80-I291 HydrophobicContact CE2-CB 4Å; F80-I291 HydrophobicContact CE2-CG2 3.67Å; L83-I291 HydrophobicContact CB-CD1 4.5Å; L83-I291 HydrophobicContact CB-CG2 3.92Å; L83-I291 HydrophobicContact CD1-CG2 4.36Å; V84-I291 HydrophobicContact CG2-CB 4.17Å; V84-I291 HydrophobicContact CG2-CG1 4.18Å; V84-I291 HydrophobicContact CG2-CG2 4.27Å; V87-I291 HydrophobicContact CG2-CD1 3.73Å; V87-I291 HydrophobicContact CG2-CG1 4.2Å; T287-I291 HydrophobicContact CG2-CG1 4.47Å; T287-I291 WeakPolarHBondContact O-CG1 3.46Å; T287-I291 PolarHBondContact O-N 2.83Å; Q288-I291 PolarHBondContact O-N 3.22Å; I291-L294 HydrophobicContact CD1-CD2 4.29Å; I291-L294 WeakPolarHBondContact O-CB 3.4Å; I291-L294 PolarHBondContact O-N 3.02Å; I291-L295 HydrophobicContact CG2-CD1 4.41Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.38Å
292S76.7Confident74.2Confident24 Ų2446.6 Ų46.617%0.16825%0.25CC..Hα-helixtrans-63.4-42.9176-169.30000111.7Q288 P289 L295 G296 M297 G298Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.17Å; Q288-S292 PolarHBondContact O-N 2.66Å; P289-S292 PolarHBondContact O-N 3.27Å; S292-L295 PolarHBondContact O-N 2.79Å; S292-G296 PolarHBondContact O-N 2.89Å; S292-M297 PolarHBondContact O-N 2.85Å; S292-M297 WeakPolarHBondContact OG-CB 3.21Å; S292-G298 VanDerWaalsContact CB-O 3.32Å; S292-G298 WeakPolarHBondContact CB-O 3.24Å; S292-G298 PolarHBondContact OG-O 2.91Å
293K71.2Confident72.8Confident82 Ų8248.2 Ų48.236%0.35726%0.258SS..Hα-helixtrans-62.6-42.1172.1-173.8174.8-177.21740111.5P289 F290 L295 G296P289-K293 VanDerWaalsContact O-CB 3.29Å; P289-K293 WeakPolarHBondContact O-CB 3.47Å; P289-K293 PolarHBondContact O-N 3.44Å; F290-K293 PolarHBondContact O-N 3.39Å; K293-L295 VanDerWaalsContact C-N 3.35Å; K293-L295 PolarHBondContact O-N 3.25Å; K293-G296 PolarHBondContact O-N 2.76Å
294L71.9Confident71.6Confident16 Ų1650 Ų508%0.08427%0.269CS..Hα-helixtrans-60.1-43.4175.2-173.867.2000111.4L3 L6 G7 I10 F290 I291 G296L3-L294 HydrophobicContact CB-CD1 4.37Å; L3-L294 HydrophobicContact CD2-CD1 4.22Å; L3-L294 WeakPolarHBondContact O-CD1 3.25Å; L6-L294 HydrophobicContact CB-CD1 4.19Å; L6-L294 HydrophobicContact CD2-CD1 4.03Å; L6-L294 HydrophobicContact CD2-CD2 4.18Å; L6-L294 HydrophobicContact CG-CD1 4.03Å; G7-L294 CarbonylContact C-O 3.48Å; G7-L294 WeakPolarHBondContact CA-O 3.39Å; I10-L294 HydrophobicContact CD1-CD2 4.47Å; F290-L294 WeakPolarHBondContact O-CB 3.37Å; F290-L294 PolarHBondContact O-N 3.4Å; I291-L294 HydrophobicContact CD1-CD2 4.29Å; I291-L294 WeakPolarHBondContact O-CB 3.4Å; I291-L294 PolarHBondContact O-N 3.02Å; L294-G296 PolarHBondContact O-N 2.76Å
295L68.5Low70.5Confident7 Ų750 Ų504%0.03727%0.265CS..THydrogen-bonded Turntrans-79.33.8179.3-63.3-171.2000114.4I10 T11 L14 F80 L83 I291 S292 K293 M297I10-L295 HydrophobicContact CB-CD2 4.2Å; I10-L295 HydrophobicContact CG2-CD2 3.34Å; T11-L295 PolarHBondContact OG1-O 2.69Å; T11-L295 VanDerWaalsContact OG1-O 3.1Å; L14-L295 HydrophobicContact CD1-CD1 4.5Å; L14-L295 HydrophobicContact CD1-CD2 4.21Å; F80-L295 HydrophobicContact CB-CD1 4Å; F80-L295 HydrophobicContact CD2-CD1 3.66Å; F80-L295 HydrophobicContact CG-CD1 4.33Å; L83-L295 HydrophobicContact CD1-CD2 4.01Å; I291-L295 HydrophobicContact CG2-CD1 4.41Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.38Å; S292-L295 PolarHBondContact O-N 2.79Å; K293-L295 VanDerWaalsContact C-N 3.35Å; K293-L295 PolarHBondContact O-N 3.25Å; L295-M297 HydrophobicContact CB-CG 4.05Å; L295-M297 HydrophobicContact CB-SD 4.18Å; L295-M297 HydrophobicContact CD1-SD 4.19Å; L295-M297 PolarHBondContact O-N 3.06Å
296G64.8Low69.4Low54 Ų5451.5 Ų51.556%0.55727%0.272SS*.THydrogen-bonded Turntrans65.519.8-177.700000113.9S292 K293 L294 G298S292-G296 PolarHBondContact O-N 2.89Å; K293-G296 PolarHBondContact O-N 2.76Å; L294-G296 PolarHBondContact O-N 2.76Å; G296-G298 VanDerWaalsContact C-N 3.27Å
297M64.3Low68.3Low110 Ų11050.1 Ų50.154%0.54227%0.271SS..SBendtrans-81.8-9.1177.2-66.3179.266.500112.3S292 L295 P353S292-M297 PolarHBondContact O-N 2.85Å; S292-M297 WeakPolarHBondContact OG-CB 3.21Å; L295-M297 HydrophobicContact CB-CG 4.05Å; L295-M297 HydrophobicContact CB-SD 4.18Å; L295-M297 HydrophobicContact CD1-SD 4.19Å; L295-M297 PolarHBondContact O-N 3.06Å; M297-P353 WeakPolarHBondContact O-CB 3.4Å
298G60.5Low67.2Low6 Ų653.8 Ų53.86%0.06229%0.289CS..  trans87.1170.1-177.300000112.7S292 G296S292-G298 VanDerWaalsContact CB-O 3.32Å; S292-G298 WeakPolarHBondContact CB-O 3.24Å; S292-G298 PolarHBondContact OG-O 2.91Å; G296-G298 VanDerWaalsContact C-N 3.27Å
299D65.6Low66.3Low18 Ų1854.4 Ų54.410%0.09629%0.292CS..  trans-129.481.5179.7-17810.9000109.8P289 G302 L303 M351P289-D299 WeakPolarHBondContact CB-OD1 3.35Å; D299-G302 PolarHBondContact OD1-N 3.38Å; D299-L303 WeakPolarHBondContact O-CB 3.35Å; D299-L303 PolarHBondContact O-N 3.05Å; D299-M351 HydrophobicContact CB-CB 4.19Å; D299-M351 HydrophobicContact CB-CE 4.07Å; D299-M351 HydrophobicContact CB-CG 4.17Å; D299-M351 PolarHBondContact N-O 2.83Å; D299-M351 WeakPolarHBondContact OD2-CE 3.38Å
300I57.6Low65.3Low105 Ų10557 Ų5754%0.53831%0.305SS..Hα-helixtrans-68.7-38-178.9-59.1175.1000110.5I304 P353I300-I304 HydrophobicContact CG2-CD1 4.05Å; I300-I304 WeakPolarHBondContact O-CD1 3.34Å; I300-I304 VanDerWaalsContact O-CG1 3.3Å; I300-I304 WeakPolarHBondContact O-CG1 3.38Å; I300-I304 PolarHBondContact O-N 3.44Å; I300-I304 VanDerWaalsContact O-N 3.16Å; I300-P353 HydrophobicContact CD1-CG 3.93Å; I300-P353 HydrophobicContact CG1-CG 3.75Å
301E59.3Low64.2Low109 Ų10962 Ų6251%0.50933%0.326SS..Hα-helixtrans-68.7-46.4-178.8-69.7-174.4172.200112L303 I304 D305E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 2.93Å; E301-I304 PolarHBondContact O-N 3.32Å; E301-D305 PolarHBondContact O-N 3.27Å
302G62.3Low62.8Low12 Ų1265.3 Ų65.312%0.12434%0.344CS..Hα-helixtrans-65.3-32.6177.200000113D299 D305 K306 M351D299-G302 PolarHBondContact OD1-N 3.38Å; G302-D305 PolarHBondContact O-N 3.12Å; G302-K306 WeakPolarHBondContact O-CB 3.34Å; G302-K306 PolarHBondContact O-N 3.15Å; G302-M351 VanDerWaalsContact C-CE 3.47Å
303L61Low61.4Low46 Ų4671 Ų7124%0.24137%0.372CS..Hα-helixtrans-62.9-44.4172.3-178.466.7000111.3D299 E301 K306 V307 I348 I352D299-L303 WeakPolarHBondContact O-CB 3.35Å; D299-L303 PolarHBondContact O-N 3.05Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 2.93Å; L303-K306 PolarHBondContact O-N 3.17Å; L303-V307 WeakPolarHBondContact O-CB 3.37Å; L303-V307 VanDerWaalsContact O-CG2 3.23Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 3.02Å; L303-I348 HydrophobicContact CD1-CG2 3.8Å; L303-I352 HydrophobicContact CD2-CG1 4.27Å
304I62.6Low60.3Low86 Ų8672.9 Ų72.944%0.44139%0.386SS..Hα-helixtrans-62.6-44.8177.3-68.9164.9000110.5I300 E301 K306 V307 N308I300-I304 HydrophobicContact CG2-CD1 4.05Å; I300-I304 WeakPolarHBondContact O-CD1 3.34Å; I300-I304 VanDerWaalsContact O-CG1 3.3Å; I300-I304 WeakPolarHBondContact O-CG1 3.38Å; I300-I304 PolarHBondContact O-N 3.44Å; I300-I304 VanDerWaalsContact O-N 3.16Å; E301-I304 PolarHBondContact O-N 3.32Å; I304-K306 PolarHBondContact O-N 2.97Å; I304-V307 PolarHBondContact O-N 3.16Å; I304-N308 WeakPolarHBondContact CG2-ND2 3.04Å; I304-N308 WeakPolarHBondContact O-CB 3.45Å; I304-N308 PolarHBondContact O-N 3.42Å; I304-N308 PolarHBondContact O-ND2 2.86Å
305D66.8Low59.5Low63 Ų6375.3 Ų75.334%0.33740%0.399SS..Hα-helixtrans-60.7-45.1178-74.2-20000112.1K286 E301 G302 V307 N308 E309K286-D305 IonicContact NZ-OD2 3.48Å; K286-D305 PolarHBondContact NZ-OD2 3.17Å; E301-D305 PolarHBondContact O-N 3.27Å; G302-D305 PolarHBondContact O-N 3.12Å; D305-V307 VanDerWaalsContact C-N 3.34Å; D305-V307 PolarHBondContact O-N 2.94Å; D305-N308 PolarHBondContact O-N 3.14Å; D305-E309 WeakPolarHBondContact O-CG 3.18Å; D305-E309 PolarHBondContact O-N 2.91Å
306K62.7Low58.9Low54 Ų5482.1 Ų82.124%0.23543%0.431CS..Hα-helixtrans-67.2-35.7179.6-156.5155.6-172.8169.30111.6E283 G302 L303 I304 L310E283-K306 IonicContact OE1-NZ 3.43Å; G302-K306 WeakPolarHBondContact O-CB 3.34Å; G302-K306 PolarHBondContact O-N 3.15Å; L303-K306 PolarHBondContact O-N 3.17Å; I304-K306 PolarHBondContact O-N 2.97Å; K306-L310 WeakPolarHBondContact O-CB 3.19Å; K306-L310 VanDerWaalsContact O-CD1 3.3Å; K306-L310 WeakPolarHBondContact O-CD1 3.45Å; K306-L310 WeakPolarHBondContact O-CG 3.27Å; K306-L310 PolarHBondContact O-N 2.87Å
307V60.6Low58.6Low62 Ų6286.4 Ų86.438%0.37644%0.437SS..Hα-helixtrans-65.1-42.5172166.60000111.5L303 I304 D305 L310 L312L303-V307 WeakPolarHBondContact O-CB 3.37Å; L303-V307 VanDerWaalsContact O-CG2 3.23Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 3.02Å; I304-V307 PolarHBondContact O-N 3.16Å; D305-V307 VanDerWaalsContact C-N 3.34Å; D305-V307 PolarHBondContact O-N 2.94Å; V307-L310 PolarHBondContact O-N 3.27Å; V307-L312 HydrophobicContact CB-CD1 4.44Å; V307-L312 HydrophobicContact CG1-CD1 4.06Å; V307-L312 HydrophobicContact CG2-CD1 4.31Å
308N59.6Low58.1Low103 Ų10382 Ų8255%0.55142%0.416SS*.Hα-helixtrans-66.3-41.8177.9-71.6-24.2000112.2I304 D305 L310 K311I304-N308 WeakPolarHBondContact CG2-ND2 3.04Å; I304-N308 WeakPolarHBondContact O-CB 3.45Å; I304-N308 PolarHBondContact O-N 3.42Å; I304-N308 PolarHBondContact O-ND2 2.86Å; D305-N308 PolarHBondContact O-N 3.14Å; N308-L310 PolarHBondContact O-N 3.41Å; N308-K311 PolarHBondContact O-N 3.1Å
309E61.7Low57.9Low126 Ų12684.9 Ų84.959%0.58943%0.428SS*.Hα-helixtrans-61.5-30.7175.3-77.6-171.2170.300112.6D305 K311D305-E309 WeakPolarHBondContact O-CG 3.18Å; D305-E309 PolarHBondContact O-N 2.91Å; E309-K311 VanDerWaalsContact C-N 3.32Å
310L56.4Low57.6Low69 Ų6987.5 Ų87.536%0.36144%0.442SS..THydrogen-bonded Turntrans-82-6-178.1-72.8168.8000114K306 V307 N308 L312 M342K306-L310 WeakPolarHBondContact O-CB 3.19Å; K306-L310 VanDerWaalsContact O-CD1 3.3Å; K306-L310 WeakPolarHBondContact O-CD1 3.45Å; K306-L310 WeakPolarHBondContact O-CG 3.27Å; K306-L310 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 3.27Å; N308-L310 PolarHBondContact O-N 3.41Å; L310-L312 HydrophobicContact CB-CD1 4.24Å; L310-L312 HydrophobicContact CB-CG 4.09Å; L310-L312 HydrophobicContact CD1-CD1 4.48Å; L310-L312 PolarHBondContact O-N 3.34Å; L310-L312 VanDerWaalsContact O-N 3.16Å; L310-M342 HydrophobicContact CD1-CG 3.91Å
311K56Low57.7Low145 Ų14586.3 Ų86.363%0.6343%0.434SS*.THydrogen-bonded Turntrans42.750.2-177.7-63.8-173.9175.8-172.30112.2N308 E309 D313 D314N308-K311 PolarHBondContact O-N 3.1Å; E309-K311 VanDerWaalsContact C-N 3.32Å; K311-D313 PolarHBondContact O-N 3.29Å; K311-D314 PolarHBondContact O-N 3.43Å; K311-D314 VanDerWaalsContact O-N 3.12Å
312L49.5Very low57.6Low74 Ų7484 Ų8439%0.38743%0.425SS..G310 helixtrans-62.5-7.1-178.6-81.3158.9000113.7V307 L310 M342V307-L312 HydrophobicContact CB-CD1 4.44Å; V307-L312 HydrophobicContact CG1-CD1 4.06Å; V307-L312 HydrophobicContact CG2-CD1 4.31Å; L310-L312 HydrophobicContact CB-CD1 4.24Å; L310-L312 HydrophobicContact CB-CG 4.09Å; L310-L312 HydrophobicContact CD1-CD1 4.48Å; L310-L312 PolarHBondContact O-N 3.34Å; L310-L312 VanDerWaalsContact O-N 3.16Å; L312-M342 HydrophobicContact CD1-CE 4.5Å; L312-M342 HydrophobicContact CD2-CE 3.86Å
313D47.3Very low57.4Low143 Ų14389.8 Ų89.877%0.76545%0.446SS*.G310 helixtrans-79.1-13.1175.2-67.4-31.8000114.2K311 N315K311-D313 PolarHBondContact O-N 3.29Å; D313-N315 VanDerWaalsContact C-N 3.28Å; D313-N315 PolarHBondContact O-N 3.06Å
314D47.7Very low57.3Low122 Ų12294 Ų9465%0.65246%0.464SS*.G310 helixtrans-81.56.9-175.6-80.4-18.7000114.9K311K311-D314 PolarHBondContact O-N 3.43Å; K311-D314 VanDerWaalsContact O-N 3.12Å
315N54Low57.3Low67 Ų6791.7 Ų91.736%0.35846%0.462SS..  trans-108.456.9179.8-76.6-42.5000113D313 E317 L318 I319D313-N315 VanDerWaalsContact C-N 3.28Å; D313-N315 PolarHBondContact O-N 3.06Å; N315-E317 PolarHBondContact O-N 3.42Å; N315-L318 HydrophobicContact CB-CB 4.03Å; N315-L318 HydrophobicContact CB-CD1 3.84Å; N315-L318 HydrophobicContact CB-CG 4.29Å; N315-L318 PolarHBondContact O-N 3.48Å; N315-I319 PolarHBondContact O-N 3.3Å; N315-I319 VanDerWaalsContact O-N 3.15Å
316E57.5Low57.3Low150 Ų15092.5 Ų92.570%0.70146%0.464SS*.Hα-helixtrans-53.7-35.7171-69.8-169.7147.900111.8I319 D320E316-I319 PolarHBondContact O-N 3.45Å; E316-D320 PolarHBondContact O-N 2.98Å
317E57.9Low58Low144 Ų14490.8 Ų90.867%0.67346%0.456SS*.Hα-helixtrans-65.9-40.4177.5-67.8-168.1170.600113.6N315 I319 D320 K321N315-E317 PolarHBondContact O-N 3.42Å; E317-I319 VanDerWaalsContact C-N 3.34Å; E317-D320 PolarHBondContact O-N 3.38Å; E317-K321 WeakPolarHBondContact O-CB 3.07Å; E317-K321 VanDerWaalsContact O-CG 3.29Å; E317-K321 WeakPolarHBondContact O-CG 3.42Å; E317-K321 PolarHBondContact O-N 2.93Å
318L52.8Low59.2Low19 Ų1988.5 Ų88.510%0.09944%0.443CS..Hα-helixtrans-67.5-39.6175.2-81.3166.6000110.6N315 D320 K321 L322N315-L318 HydrophobicContact CB-CB 4.03Å; N315-L318 HydrophobicContact CB-CD1 3.84Å; N315-L318 HydrophobicContact CB-CG 4.29Å; N315-L318 PolarHBondContact O-N 3.48Å; L318-D320 VanDerWaalsContact C-N 3.29Å; L318-D320 PolarHBondContact O-N 3.42Å; L318-K321 PolarHBondContact O-N 3.5Å; L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 WeakPolarHBondContact O-CD1 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.27Å; L318-L322 PolarHBondContact O-N 3.39Å
319I56.3Low60.4Low65 Ų6583.6 Ų83.633%0.33342%0.417SS..Hα-helixtrans-61.7-41.6176.5-68.4173.8000110N315 E316 E317 K323N315-I319 PolarHBondContact O-N 3.3Å; N315-I319 VanDerWaalsContact O-N 3.15Å; E316-I319 PolarHBondContact O-N 3.45Å; E317-I319 VanDerWaalsContact C-N 3.34Å; I319-K323 VanDerWaalsContact O-CG 3.24Å; I319-K323 WeakPolarHBondContact O-CG 3.22Å; I319-K323 PolarHBondContact O-N 3.33Å
320D61.1Low61.7Low73 Ų7381 Ų8139%0.3940%0.401SS..Hα-helixtrans-72.1-40177.7-82.4-4.4000113.4E316 E317 L318 L322 K323 H324E316-D320 PolarHBondContact O-N 2.98Å; E317-D320 PolarHBondContact O-N 3.38Å; L318-D320 VanDerWaalsContact C-N 3.29Å; L318-D320 PolarHBondContact O-N 3.42Å; D320-L322 VanDerWaalsContact C-N 3.35Å; D320-L322 PolarHBondContact O-N 3.5Å; D320-K323 WeakPolarHBondContact O-CB 3.46Å; D320-K323 PolarHBondContact O-N 2.83Å; D320-K323 WeakPolarHBondContact OD1-CD 3.47Å; D320-K323 IonicContact OD1-NZ 2.6Å; D320-K323 PolarHBondContact OD1-NZ 3.37Å; D320-H324 PolarHBondContact O-N 2.81Å; D320-H324 VanDerWaalsContact O-N 3.16Å; D320-H324 PolarHBondContact O-ND1 3.2Å
321K59.8Low62.9Low81 Ų8178 Ų7835%0.35239%0.385SS..Hα-helixtrans-62.8-40.8173.1-72.6174.4-177.7176.40112E317 L318 H324 G325 Q326 D331E317-K321 WeakPolarHBondContact O-CB 3.07Å; E317-K321 VanDerWaalsContact O-CG 3.29Å; E317-K321 WeakPolarHBondContact O-CG 3.42Å; E317-K321 PolarHBondContact O-N 2.93Å; L318-K321 PolarHBondContact O-N 3.5Å; K321-H324 PolarHBondContact O-N 2.92Å; K321-G325 PolarHBondContact O-N 3.46Å; K321-Q326 PolarHBondContact O-N 2.96Å; K321-D331 IonicContact NZ-OD1 2.69Å
322L55.8Low64.2Low61 Ų6171.2 Ų71.232%0.31936%0.356SS..Hα-helixtrans-64.8-39174.5-75.1166.5000112.4L318 D320 H324 G325 V431L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 WeakPolarHBondContact O-CD1 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.27Å; L318-L322 PolarHBondContact O-N 3.39Å; D320-L322 VanDerWaalsContact C-N 3.35Å; D320-L322 PolarHBondContact O-N 3.5Å; L322-H324 VanDerWaalsContact C-N 3.27Å; L322-H324 PolarHBondContact O-N 3.31Å; L322-G325 PolarHBondContact O-N 2.99Å; L322-G325 VanDerWaalsContact O-N 3.14Å; L322-V431 HydrophobicContact CD2-CG1 3.36Å
323K57.6Low65.9Low132 Ų13270.1 Ų70.157%0.57435%0.347SS*.Hα-helixtrans-60.1-36.7173.7-77.7171.7-167.2160.70112.1I319 D320 G325I319-K323 VanDerWaalsContact O-CG 3.24Å; I319-K323 WeakPolarHBondContact O-CG 3.22Å; I319-K323 PolarHBondContact O-N 3.33Å; D320-K323 WeakPolarHBondContact O-CB 3.46Å; D320-K323 PolarHBondContact O-N 2.83Å; D320-K323 WeakPolarHBondContact OD1-CD 3.47Å; D320-K323 IonicContact OD1-NZ 2.6Å; D320-K323 PolarHBondContact OD1-NZ 3.37Å; K323-G325 VanDerWaalsContact C-N 3.26Å; K323-G325 PolarHBondContact O-N 2.84Å
324H60.4Low67.6Low134 Ų13466 Ų6662%0.6232%0.323SS*.THydrogen-bonded Turntrans-83.42.3179.1-67.784.9000113.6D320 K321 L322 Q326D320-H324 PolarHBondContact O-N 2.81Å; D320-H324 VanDerWaalsContact O-N 3.16Å; D320-H324 PolarHBondContact O-ND1 3.2Å; K321-H324 PolarHBondContact O-N 2.92Å; L322-H324 VanDerWaalsContact C-N 3.27Å; L322-H324 PolarHBondContact O-N 3.31Å; H324-Q326 HydrophobicContact CB-CG 4.47Å; H324-Q326 PolarHBondContact O-N 3.27Å
325G62.2Low69.1Low39 Ų3962.8 Ų62.840%0.40231%0.305SS..THydrogen-bonded Turntrans63.121.4178.300000113.9K321 L322 K323K321-G325 PolarHBondContact O-N 3.46Å; L322-G325 PolarHBondContact O-N 2.99Å; L322-G325 VanDerWaalsContact O-N 3.14Å; K323-G325 VanDerWaalsContact C-N 3.26Å; K323-G325 PolarHBondContact O-N 2.84Å
326Q67.4Low70.4Confident80 Ų8060.7 Ų60.737%0.37429%0.292SS..  trans-99.3115177.4-64.4179.637.500107.4K321 H324 K390K321-Q326 PolarHBondContact O-N 2.96Å; H324-Q326 HydrophobicContact CB-CG 4.47Å; H324-Q326 PolarHBondContact O-N 3.27Å; Q326-K390 VanDerWaalsContact OE1-CE 3.22Å
327F77.1Confident71.4Confident17 Ų1757 Ų578%0.07528%0.275CS..  trans-127.4115.8177-174.1-97.9000107.4D331 M332 Y424 F427 A428 V431F327-D331 HydrophobicContact CD2-CB 4.02Å; F327-D331 HydrophobicContact CE2-CB 3.92Å; F327-M332 HydrophobicContact CE1-CB 3.86Å; F327-M332 HydrophobicContact CE1-CG 4.35Å; F327-M332 HydrophobicContact CZ-CB 3.73Å; F327-M332 HydrophobicContact CZ-CG 4.22Å; F327-Y424 HydrophobicContact CD1-CD2 4.39Å; F327-Y424 AromaticContact CD1-CE2 3.84Å; F327-Y424 HydrophobicContact CD1-CE2 3.84Å; F327-Y424 HydrophobicContact CE1-CD2 4.1Å; F327-Y424 AromaticContact CE1-CE2 3.94Å; F327-Y424 HydrophobicContact CE1-CE2 3.94Å; F327-Y424 PolarHBondContact O-OH 3.44Å; F327-F427 HydrophobicContact CD1-CD1 4.37Å; F327-F427 AromaticContact CE1-CD1 3.46Å; F327-F427 HydrophobicContact CE1-CD1 3.46Å; F327-F427 VanDerWaalsContact CE1-CD1 3.46Å; F327-F427 HydrophobicContact CE1-CE1 4.07Å; F327-F427 HydrophobicContact CE1-CG 4.47Å; F327-F427 HydrophobicContact CE2-CD1 4.11Å; F327-F427 AromaticContact CE2-CE1 3.88Å; F327-F427 HydrophobicContact CE2-CE1 3.88Å; F327-F427 AromaticContact CZ-CD1 3.3Å; F327-F427 HydrophobicContact CZ-CD1 3.3Å; F327-F427 AromaticContact CZ-CE1 3.39Å; F327-F427 HydrophobicContact CZ-CE1 3.39Å; F327-A428 HydrophobicContact CD1-CB 3.96Å; F327-V431 HydrophobicContact CB-CB 4.48Å; F327-V431 HydrophobicContact CB-CG1 4.04Å; F327-V431 HydrophobicContact CD2-CB 4.33Å; F327-V431 HydrophobicContact CD2-CG1 3.93Å; F327-V431 HydrophobicContact CD2-CG2 4.02Å; F327-V431 HydrophobicContact CE2-CG2 4.14Å; F327-V431 HydrophobicContact CG-CB 4.31Å; F327-V431 HydrophobicContact CG-CG1 4.13Å; F327-V431 HydrophobicContact CG-CG2 4.3Å
328T85.8Confident72.2Confident15 Ų1551.9 Ų51.99%0.09225%0.252CS..  trans-104.9170.6-176.466.70000111.3R330 D331 M332 L387T328-R330 VanDerWaalsContact C-N 3.26Å; T328-R330 PolarHBondContact O-N 3.04Å; T328-D331 WeakPolarHBondContact CB-OD2 3.38Å; T328-D331 PolarHBondContact N-OD2 3.4Å; T328-D331 PolarHBondContact O-N 3.33Å; T328-D331 PolarHBondContact OG1-N 2.87Å; T328-D331 PolarHBondContact OG1-OD2 2.83Å; T328-M332 PolarHBondContact O-N 3.29Å; T328-M332 VanDerWaalsContact O-N 3.16Å; T328-L387 WeakPolarHBondContact CB-O 3.42Å
329L85Confident73.1Confident0 Ų052.8 Ų52.80%026%0.257CS..Hα-helixtrans-66.8-30.5174.1-81.7166.9000111.4M332 Y333 M382 L387 F396 L420 L421 Y424L329-M332 HydrophobicContact CD2-CE 3.86Å; L329-M332 WeakPolarHBondContact O-CB 3.49Å; L329-M332 PolarHBondContact O-N 2.82Å; L329-Y333 PolarHBondContact O-N 2.65Å; L329-M382 HydrophobicContact CD1-SD 3.97Å; L329-L387 HydrophobicContact CB-CD2 3.99Å; L329-L387 PolarHBondContact N-O 3.35Å; L329-L387 VanDerWaalsContact N-O 3.15Å; L329-F396 HydrophobicContact CD1-CE2 3.96Å; L329-L420 HydrophobicContact CD2-CD2 4.14Å; L329-L421 HydrophobicContact CD1-CD2 4.37Å; L329-Y424 HydrophobicContact CD2-CD1 4.11Å; L329-Y424 HydrophobicContact CD2-CD2 3.45Å; L329-Y424 VanDerWaalsContact CD2-CD2 3.45Å; L329-Y424 HydrophobicContact CD2-CE2 3.94Å; L329-Y424 HydrophobicContact CD2-CG 3.53Å; L329-Y424 HydrophobicContact CG-CD1 4.42Å; L329-Y424 HydrophobicContact CG-CD2 3.96Å; L329-Y424 HydrophobicContact CG-CE1 4.38Å; L329-Y424 HydrophobicContact CG-CE2 3.89Å; L329-Y424 HydrophobicContact CG-CG 4.2Å
330R87.2Confident73.7Confident70 Ų7052.8 Ų52.826%0.26426%0.256SS..Hα-helixtrans-64.3-44.2171.9-171173.6-58.3-85.72.5111.9T328 M332 Y333 E334 D384 L387 D388T328-R330 VanDerWaalsContact C-N 3.26Å; T328-R330 PolarHBondContact O-N 3.04Å; R330-M332 PolarHBondContact O-N 3.49Å; R330-Y333 WeakPolarHBondContact O-CA 3.36Å; R330-Y333 VanDerWaalsContact O-CB 3.28Å; R330-Y333 WeakPolarHBondContact O-CB 3.47Å; R330-Y333 PolarHBondContact O-N 3.29Å; R330-E334 WeakPolarHBondContact O-CG 3.29Å; R330-E334 PolarHBondContact O-N 3.49Å; R330-D384 IonicContact CZ-OD1 3.84Å; R330-D384 IonicContact NH2-OD1 2.69Å; R330-D384 PolarHBondContact NH2-OD1 3.06Å; R330-L387 HydrophobicContact CB-CB 4.27Å; R330-L387 PolarHBondContact N-O 2.88Å; R330-L387 VanDerWaalsContact N-O 3.08Å; R330-D388 VanDerWaalsContact CD-OD1 3.32Å; R330-D388 WeakPolarHBondContact CD-OD1 3.39Å; R330-D388 IonicContact CZ-OD1 2.76Å; R330-D388 IonicContact CZ-OD2 3.18Å; R330-D388 IonicContact NE-OD1 3.25Å; R330-D388 PolarHBondContact NE-OD1 3.49Å; R330-D388 IonicContact NE-OD2 2.69Å; R330-D388 PolarHBondContact NE-OD2 2.87Å; R330-D388 IonicContact NH2-OD1 3.83Å; R330-D388 IonicContact NH2-OD2 2.79Å; R330-D388 PolarHBondContact NH2-OD2 3.05Å
331D83.1Confident74Confident6 Ų656 Ų563%0.03227%0.267CS..Hα-helixtrans-61.4-38.2176.9-54.7-50.4000110.3K321 F327 T328 E334 Q335K321-D331 IonicContact NZ-OD1 2.69Å; F327-D331 HydrophobicContact CD2-CB 4.02Å; F327-D331 HydrophobicContact CE2-CB 3.92Å; T328-D331 WeakPolarHBondContact CB-OD2 3.38Å; T328-D331 PolarHBondContact N-OD2 3.4Å; T328-D331 PolarHBondContact O-N 3.33Å; T328-D331 PolarHBondContact OG1-N 2.87Å; T328-D331 PolarHBondContact OG1-OD2 2.83Å; D331-E334 PolarHBondContact O-N 3.03Å; D331-Q335 VanDerWaalsContact O-CG 3.29Å; D331-Q335 WeakPolarHBondContact O-CG 3.14Å; D331-Q335 PolarHBondContact O-N 2.83Å
332M83.5Confident73.9Confident3 Ų354.1 Ų54.12%0.01526%0.259CS..Hα-helixtrans-63.1-40.5172.8-166.2-178.27500112.6F327 T328 L329 R330 Q335 F336 M379 L420 Y424F327-M332 HydrophobicContact CE1-CB 3.86Å; F327-M332 HydrophobicContact CE1-CG 4.35Å; F327-M332 HydrophobicContact CZ-CB 3.73Å; F327-M332 HydrophobicContact CZ-CG 4.22Å; T328-M332 PolarHBondContact O-N 3.29Å; T328-M332 VanDerWaalsContact O-N 3.16Å; L329-M332 HydrophobicContact CD2-CE 3.86Å; L329-M332 WeakPolarHBondContact O-CB 3.49Å; L329-M332 PolarHBondContact O-N 2.82Å; R330-M332 PolarHBondContact O-N 3.49Å; M332-Q335 PolarHBondContact O-N 3.29Å; M332-F336 HydrophobicContact CE-CE2 3.86Å; M332-F336 HydrophobicContact CE-CZ 4.14Å; M332-F336 HydrophobicContact CG-CE1 4.09Å; M332-F336 HydrophobicContact CG-CE2 4.18Å; M332-F336 HydrophobicContact CG-CZ 3.88Å; M332-F336 WeakPolarHBondContact O-CG 3.19Å; M332-F336 PolarHBondContact O-N 3.16Å; M332-F336 HydrophobicContact SD-CE2 4.29Å; M332-F336 HydrophobicContact SD-CZ 3.96Å; M332-M379 HydrophobicContact CE-CE 4.03Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.3Å; M332-L420 HydrophobicContact CE-CD2 4.05Å; M332-L420 HydrophobicContact CE-CG 4.38Å; M332-Y424 HydrophobicContact CB-CD2 4.43Å; M332-Y424 HydrophobicContact CE-CD2 4.49Å; M332-Y424 HydrophobicContact SD-CD2 3.83Å; M332-Y424 HydrophobicContact SD-CG 4.32Å
333Y85.3Confident74.1Confident52 Ų5252.1 Ų52.120%0.20425%0.254CS..Hα-helixtrans-60.3-48.2174.8-173.2-83.3000111.5L329 R330 Q335 F336 Q337 M376 M379 D380L329-Y333 PolarHBondContact O-N 2.65Å; R330-Y333 WeakPolarHBondContact O-CA 3.36Å; R330-Y333 VanDerWaalsContact O-CB 3.28Å; R330-Y333 WeakPolarHBondContact O-CB 3.47Å; R330-Y333 PolarHBondContact O-N 3.29Å; Y333-Q335 VanDerWaalsContact C-N 3.3Å; Y333-Q335 PolarHBondContact O-N 3.4Å; Y333-F336 PolarHBondContact O-N 3.21Å; Y333-Q337 WeakPolarHBondContact O-CB 3.44Å; Y333-Q337 PolarHBondContact O-N 2.8Å; Y333-M376 HydrophobicContact CD1-CE 4.35Å; Y333-M376 HydrophobicContact CD2-CE 4.49Å; Y333-M376 HydrophobicContact CD2-CG 4.37Å; Y333-M376 HydrophobicContact CE1-CE 3.71Å; Y333-M376 HydrophobicContact CE2-CB 3.95Å; Y333-M376 HydrophobicContact CE2-CE 3.89Å; Y333-M376 HydrophobicContact CE2-CG 4.17Å; Y333-M376 VanDerWaalsContact CZ-CE 3.47Å; Y333-M379 HydrophobicContact CD2-CB 3.7Å; Y333-M379 HydrophobicContact CD2-CE 3.71Å; Y333-M379 HydrophobicContact CD2-CG 4.5Å; Y333-M379 HydrophobicContact CD2-SD 4.12Å; Y333-M379 HydrophobicContact CE2-CB 4.19Å; Y333-M379 HydrophobicContact CG-CE 4.32Å; Y333-D380 WeakPolarHBondContact CE2-OD1 3.5Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.29Å; Y333-D380 PolarHBondContact OH-OD1 2.95Å
334E83.1Confident74.2Confident56 Ų5648.5 Ų48.526%0.26224%0.244SC..Hα-helixtrans-60.5-40.9176.6-70.5172.8-168.800111.2R330 D331 Q337 N338R330-E334 WeakPolarHBondContact O-CG 3.29Å; R330-E334 PolarHBondContact O-N 3.49Å; D331-E334 PolarHBondContact O-N 3.03Å; E334-Q337 PolarHBondContact O-N 3.44Å; E334-N338 WeakPolarHBondContact O-CB 3.29Å; E334-N338 PolarHBondContact O-N 2.92Å; E334-N338 PolarHBondContact O-ND2 3.13Å
335Q77.7Confident73.9Confident55 Ų5547 Ų4726%0.25724%0.236SC..Hα-helixtrans-63.3-44.7174.3-67.1-38.5-66.200111.9D331 M332 Y333 Q337 N338 I339D331-Q335 VanDerWaalsContact O-CG 3.29Å; D331-Q335 WeakPolarHBondContact O-CG 3.14Å; D331-Q335 PolarHBondContact O-N 2.83Å; M332-Q335 PolarHBondContact O-N 3.29Å; Y333-Q335 VanDerWaalsContact C-N 3.3Å; Y333-Q335 PolarHBondContact O-N 3.4Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.03Å; Q335-N338 PolarHBondContact O-N 3.26Å; Q335-I339 WeakPolarHBondContact O-CB 3.43Å; Q335-I339 WeakPolarHBondContact O-CG1 3.36Å; Q335-I339 PolarHBondContact O-N 3.28Å
336F81.3Confident73.7Confident22 Ų2245.8 Ų45.810%0.09622%0.224CC..Hα-helixtrans-62.2-39.4175.5-71.5-6.4000111.9M332 Y333 I339 M340 L372 L375 M376 M379M332-F336 HydrophobicContact CE-CE2 3.86Å; M332-F336 HydrophobicContact CE-CZ 4.14Å; M332-F336 HydrophobicContact CG-CE1 4.09Å; M332-F336 HydrophobicContact CG-CE2 4.18Å; M332-F336 HydrophobicContact CG-CZ 3.88Å; M332-F336 WeakPolarHBondContact O-CG 3.19Å; M332-F336 PolarHBondContact O-N 3.16Å; M332-F336 HydrophobicContact SD-CE2 4.29Å; M332-F336 HydrophobicContact SD-CZ 3.96Å; Y333-F336 PolarHBondContact O-N 3.21Å; F336-I339 HydrophobicContact CD1-CD1 4.49Å; F336-I339 PolarHBondContact O-N 2.8Å; F336-M340 WeakPolarHBondContact O-CB 3.12Å; F336-M340 WeakPolarHBondContact O-CG 3.32Å; F336-M340 PolarHBondContact O-N 3.43Å; F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.35Å; F336-L372 HydrophobicContact CE1-CD2 4.03Å; F336-L372 HydrophobicContact CE2-CD2 4.46Å; F336-L372 HydrophobicContact CG-CD2 4.11Å; F336-L372 HydrophobicContact CZ-CD2 4.31Å; F336-L375 HydrophobicContact CD2-CB 4.31Å; F336-L375 HydrophobicContact CE2-CB 3.93Å; F336-L375 HydrophobicContact CE2-CD1 3.79Å; F336-L375 HydrophobicContact CZ-CD1 4.11Å; F336-M376 HydrophobicContact CB-CG 4.1Å; F336-M376 HydrophobicContact CB-SD 4.14Å; F336-M376 HydrophobicContact CD2-CG 4.39Å; F336-M379 HydrophobicContact CD2-CE 3.46Å; F336-M379 VanDerWaalsContact CD2-CE 3.46Å; F336-M379 HydrophobicContact CE2-CE 3.83Å
337Q79.9Confident73.3Confident74 Ų7444.1 Ų44.135%0.34622%0.216SC..Hα-helixtrans-65.1-41176.2-166.1179.913.600111.7Y333 E334 Q335 M340 K341 M376Y333-Q337 WeakPolarHBondContact O-CB 3.44Å; Y333-Q337 PolarHBondContact O-N 2.8Å; E334-Q337 PolarHBondContact O-N 3.44Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.03Å; Q337-M340 PolarHBondContact O-N 3.17Å; Q337-K341 WeakPolarHBondContact O-CB 3.34Å; Q337-K341 VanDerWaalsContact O-CG 3.29Å; Q337-K341 WeakPolarHBondContact O-CG 3.32Å; Q337-K341 PolarHBondContact O-N 3.13Å; Q337-M376 HydrophobicContact CB-CE 3.97Å; Q337-M376 HydrophobicContact CG-CE 4.22Å
338N73.3Confident72.3Confident35 Ų3544.7 Ų44.719%0.18722%0.22CC..Hα-helixtrans-65.2-42.4175.3-70.5-20.8000111.2E334 Q335 M340 K341 M342E334-N338 WeakPolarHBondContact O-CB 3.29Å; E334-N338 PolarHBondContact O-N 2.92Å; E334-N338 PolarHBondContact O-ND2 3.13Å; Q335-N338 PolarHBondContact O-N 3.26Å; N338-M340 VanDerWaalsContact C-N 3.33Å; N338-M340 PolarHBondContact O-N 3.01Å; N338-K341 PolarHBondContact O-N 2.9Å; N338-M342 HydrophobicContact CB-CE 4.37Å; N338-M342 WeakPolarHBondContact O-CG 3.31Å; N338-M342 PolarHBondContact O-N 2.95Å
339I71.6Confident70.9Confident38 Ų3847 Ų4720%0.19523%0.23CC..Hα-helixtrans-61-42.6174.1-68.5169.9000110.9Q335 F336 K341 M342 F345 L372Q335-I339 WeakPolarHBondContact O-CB 3.43Å; Q335-I339 WeakPolarHBondContact O-CG1 3.36Å; Q335-I339 PolarHBondContact O-N 3.28Å; F336-I339 HydrophobicContact CD1-CD1 4.49Å; F336-I339 PolarHBondContact O-N 2.8Å; I339-K341 VanDerWaalsContact C-N 3.35Å; I339-M342 PolarHBondContact O-N 3.26Å; I339-F345 HydrophobicContact CB-CE2 4.34Å; I339-F345 HydrophobicContact CD1-CE2 4.38Å; I339-F345 HydrophobicContact CG1-CE2 3.93Å; I339-F345 HydrophobicContact CG2-CD2 3.68Å; I339-F345 HydrophobicContact CG2-CE2 3.7Å; I339-L372 HydrophobicContact CG2-CD1 3.72Å
340M69.3Low69.6Low65 Ų6549.1 Ų49.132%0.3225%0.252SS..Hα-helixtrans-66.5-35.4176-75.5-170.368.800112.5F336 Q337 N338 M342 G343 M369 L372 K373 M376F336-M340 WeakPolarHBondContact O-CB 3.12Å; F336-M340 WeakPolarHBondContact O-CG 3.32Å; F336-M340 PolarHBondContact O-N 3.43Å; Q337-M340 PolarHBondContact O-N 3.17Å; N338-M340 VanDerWaalsContact C-N 3.33Å; N338-M340 PolarHBondContact O-N 3.01Å; M340-M342 VanDerWaalsContact C-N 3.33Å; M340-G343 PolarHBondContact O-N 3.25Å; M340-M369 HydrophobicContact CG-SD 4.09Å; M340-L372 HydrophobicContact CG-CB 4.44Å; M340-L372 HydrophobicContact SD-CB 4.45Å; M340-K373 HydrophobicContact CE-CB 4.12Å; M340-K373 HydrophobicContact CE-CG 4.41Å; M340-K373 HydrophobicContact SD-CB 4.41Å; M340-M376 HydrophobicContact CG-SD 4.44Å; M340-M376 HydrophobicContact SD-SD 3.34Å
341K67.2Low67.9Low141 Ų14146.5 Ų46.561%0.61324%0.243SC*.Hα-helixtrans-68.9-29.9173.9-74.9172.4-179.6173.40112.8Q337 N338 I339 G343Q337-K341 WeakPolarHBondContact O-CB 3.34Å; Q337-K341 VanDerWaalsContact O-CG 3.29Å; Q337-K341 WeakPolarHBondContact O-CG 3.32Å; Q337-K341 PolarHBondContact O-N 3.13Å; N338-K341 PolarHBondContact O-N 2.9Å; I339-K341 VanDerWaalsContact C-N 3.35Å; K341-G343 PolarHBondContact O-N 2.89Å
342M57.3Low66.4Low41 Ų4149 Ų4920%0.20226%0.256CS..THydrogen-bonded Turntrans-72.1-12.2178-73.9171.6-167.700113.3L310 L312 N338 I339 M340 I348L310-M342 HydrophobicContact CD1-CG 3.91Å; L312-M342 HydrophobicContact CD1-CE 4.5Å; L312-M342 HydrophobicContact CD2-CE 3.86Å; N338-M342 HydrophobicContact CB-CE 4.37Å; N338-M342 WeakPolarHBondContact O-CG 3.31Å; N338-M342 PolarHBondContact O-N 2.95Å; I339-M342 PolarHBondContact O-N 3.26Å; M340-M342 VanDerWaalsContact C-N 3.33Å; M342-I348 HydrophobicContact CB-CD1 4.05Å
343G60Low64.5Low20 Ų2051.7 Ų51.721%0.20627%0.273CS..  trans80.7-171-176.400000112.9M340 K341 F345 M369M340-G343 PolarHBondContact O-N 3.25Å; K341-G343 PolarHBondContact O-N 2.89Å; G343-F345 PolarHBondContact O-N 2.87Å; G343-M369 WeakPolarHBondContact O-CE 3.42Å
344P59.7Low62.8Low56 Ų5653 Ų5336%0.36430%0.303SS..  trans-57.2119.9-176.7-23.833.9000112.3G346 Q347 E365P344-G346 PolarHBondContact O-N 2.98Å; P344-Q347 WeakPolarHBondContact O-CB 3.44Å; P344-Q347 PolarHBondContact O-N 3.04Å; P344-E365 HydrophobicContact CB-CB 4.45Å
345F55.2Low61.3Low101 Ų10156.2 Ų56.244%0.44332%0.316SS..Hα-helixtrans-55.9-27.8-178.3-129.2-101.8000113.5I339 G343 Q347 I348 M349I339-F345 HydrophobicContact CB-CE2 4.34Å; I339-F345 HydrophobicContact CD1-CE2 4.38Å; I339-F345 HydrophobicContact CG1-CE2 3.93Å; I339-F345 HydrophobicContact CG2-CD2 3.68Å; I339-F345 HydrophobicContact CG2-CE2 3.7Å; G343-F345 PolarHBondContact O-N 2.87Å; F345-Q347 PolarHBondContact O-N 3.27Å; F345-I348 PolarHBondContact O-N 3.48Å; F345-M349 HydrophobicContact CD1-CG 4Å; F345-M349 WeakPolarHBondContact O-CB 3.39Å; F345-M349 WeakPolarHBondContact O-CG 3.26Å; F345-M349 PolarHBondContact O-N 3.17Å
346G58.3Low59.7Low15 Ų1555.6 Ų55.616%0.15533%0.325CS..Hα-helixtrans-60.7-33.2176.100000112.8P344 G350P344-G346 PolarHBondContact O-N 2.98Å; G346-G350 PolarHBondContact O-N 3.47Å
347Q57.8Low58Low45 Ų4559.3 Ų59.321%0.2135%0.35CS..Hα-helixtrans-68.9-41.3179.8-158.9-171.22100111.9E283 P344 F345 M351E283-Q347 PolarHBondContact OE1-NE2 3.37Å; E283-Q347 PolarHBondContact OE2-NE2 2.76Å; P344-Q347 WeakPolarHBondContact O-CB 3.44Å; P344-Q347 PolarHBondContact O-N 3.04Å; F345-Q347 PolarHBondContact O-N 3.27Å; Q347-M351 WeakPolarHBondContact O-CG 3.18Å
348I57Low56.2Low29 Ų2963 Ų6315%0.14937%0.371CS..Hα-helixtrans-73.1-44.2178.7-63.2176.5000110.7L303 M342 F345 G350 M351L303-I348 HydrophobicContact CD1-CG2 3.8Å; M342-I348 HydrophobicContact CB-CD1 4.05Å; F345-I348 PolarHBondContact O-N 3.48Å; I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.03Å; I348-M351 WeakPolarHBondContact O-CB 3.44Å; I348-M351 PolarHBondContact O-N 3.39Å
349M55.8Low54.6Low62 Ų6269.3 Ų69.331%0.30540%0.398SS..Hα-helixtrans-63.6-34.7177.7-70.9-71.1-94.400111.7F345 M351 I352 F355F345-M349 HydrophobicContact CD1-CG 4Å; F345-M349 WeakPolarHBondContact O-CB 3.39Å; F345-M349 WeakPolarHBondContact O-CG 3.26Å; F345-M349 PolarHBondContact O-N 3.17Å; M349-M351 PolarHBondContact O-N 3.48Å; M349-I352 PolarHBondContact O-N 2.95Å; M349-I352 VanDerWaalsContact O-N 3.17Å; M349-I352 HydrophobicContact SD-CD1 4.12Å; M349-F355 HydrophobicContact CE-CD1 3.89Å; M349-F355 HydrophobicContact CE-CE1 4Å
350G57.6Low53.4Low45 Ų4572.6 Ų72.646%0.46441%0.413SS..THydrogen-bonded Turntrans-66.7-11.4172.800000114.9G346 I348G346-G350 PolarHBondContact O-N 3.47Å; I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.03Å
351M52.5Low52.2Low16 Ų1674.5 Ų74.58%0.07943%0.434CS..THydrogen-bonded Turntrans-90.9-14174.5-63.4170.79900112.4D299 G302 Q347 I348 M349 P353D299-M351 HydrophobicContact CB-CB 4.19Å; D299-M351 HydrophobicContact CB-CE 4.07Å; D299-M351 HydrophobicContact CB-CG 4.17Å; D299-M351 PolarHBondContact N-O 2.83Å; D299-M351 WeakPolarHBondContact OD2-CE 3.38Å; G302-M351 VanDerWaalsContact C-CE 3.47Å; Q347-M351 WeakPolarHBondContact O-CG 3.18Å; I348-M351 WeakPolarHBondContact O-CB 3.44Å; I348-M351 PolarHBondContact O-N 3.39Å; M349-M351 PolarHBondContact O-N 3.48Å; M351-P353 WeakPolarHBondContact O-CD 3.38Å
352I51.3Low51.2Low58 Ų5878.3 Ų78.330%0.29745%0.45SS..SBendtrans-85.5119.8-177.4-60.7176.3000110.4L303 M349 G354 F355L303-I352 HydrophobicContact CD2-CG1 4.27Å; M349-I352 PolarHBondContact O-N 2.95Å; M349-I352 VanDerWaalsContact O-N 3.17Å; M349-I352 HydrophobicContact SD-CD1 4.12Å; I352-G354 PolarHBondContact O-N 3.14Å; I352-F355 HydrophobicContact CB-CB 4.46Å; I352-F355 HydrophobicContact CG2-CB 4.35Å; I352-F355 HydrophobicContact CG2-CD2 4.1Å
353P42.7Very low50.7Low59 Ų5978.1 Ų78.138%0.38346%0.458SS..THydrogen-bonded Turntrans-60.3136.3177.7-17.927.9000112.3M297 I300 M351 F355M297-P353 WeakPolarHBondContact O-CB 3.4Å; I300-P353 HydrophobicContact CD1-CG 3.93Å; I300-P353 HydrophobicContact CG1-CG 3.75Å; M351-P353 WeakPolarHBondContact O-CD 3.38Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.18Å
354G50.4Low50.6Low81 Ų8182.9 Ų82.984%0.83548%0.479SS*.THydrogen-bonded Turntrans81.1-10.1173.100000115.8I352 G356I352-G354 PolarHBondContact O-N 3.14Å; G354-G356 PolarHBondContact O-N 3.34Å
355F50.6Low50.8Low122 Ų12284.3 Ų84.354%0.53548%0.481SS..  trans-8191.2165.6-102.1-100.4000108.6M349 I352 P353M349-F355 HydrophobicContact CE-CD1 3.89Å; M349-F355 HydrophobicContact CE-CE1 4Å; I352-F355 HydrophobicContact CB-CB 4.46Å; I352-F355 HydrophobicContact CG2-CB 4.35Å; I352-F355 HydrophobicContact CG2-CD2 4.1Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.18Å
356G44.2Very low51.2Low43 Ų4387.6 Ų87.644%0.44350%0.498SS..  trans-60.6151.3-175.700000113.5G354 D358 F359G354-G356 PolarHBondContact O-N 3.34Å; G356-D358 PolarHBondContact O-N 3.26Å; G356-F359 PolarHBondContact O-N 2.69Å
357T46.6Very low51.8Low100 Ų10090.9 Ų90.961%0.61351%0.509SS*.G310 helixtrans-48.9-16.2167.740.50000114.5M360T357-M360 WeakPolarHBondContact O-CB 3.29Å; T357-M360 WeakPolarHBondContact O-CG 3.48Å; T357-M360 PolarHBondContact O-N 3.4Å
358D42.3Very low52.6Low150 Ų15091.7 Ų91.780%0.80252%0.52SS*.G310 helixtrans-80.8-15.7-175.3-61.2-23.6000113.8G356 M360G356-D358 PolarHBondContact O-N 3.26Å; D358-M360 VanDerWaalsContact C-N 3.29Å
359F40.2Very low53.4Low168 Ų16892.1 Ų92.174%0.73752%0.522SS*.G310 helixtrans-85.8-3.2172.5-156.4-98.2000112.9G356 S361G356-F359 PolarHBondContact O-N 2.69Å; F359-S361 PolarHBondContact O-N 3.29Å
360M45.9Very low54.7Low107 Ų10792 Ų9253%0.52753%0.531SS..SBendtrans-68.289.7165.1-62.4-93.8-77.300106.9T357 D358 K362T357-M360 WeakPolarHBondContact O-CB 3.29Å; T357-M360 WeakPolarHBondContact O-CG 3.48Å; T357-M360 PolarHBondContact O-N 3.4Å; D358-M360 VanDerWaalsContact C-N 3.29Å; M360-K362 PolarHBondContact O-N 3.05Å
361S43Very low55.9Low106 Ų10697.3 Ų97.374%0.74154%0.537SS*.  trans-49.7138.8160.558.60000107.2F359 G363F359-S361 PolarHBondContact O-N 3.29Å; S361-G363 PolarHBondContact O-N 3.42Å
362K46.1Very low57.4Low220 Ų22098.1 Ų98.196%0.95754%0.541SS*.SBendtrans-62.935.7-173.9-60177.5176.4178.70114.2M360M360-K362 PolarHBondContact O-N 3.05Å
363G47.9Very low59.1Low37 Ų37101.6 Ų101.638%0.38155%0.554SS.*  trans-90.4131.4174.700000109.7S361 E365S361-G363 PolarHBondContact O-N 3.42Å; G363-E365 PolarHBondContact O-N 3.31Å
364N58.3Low61.3Low120 Ų120103.1 Ų103.164%0.64256%0.555SS**  trans-60.7129.5172.2-74-16.2000109.2Q366 E367 S368N364-Q366 PolarHBondContact O-N 2.75Å; N364-Q366 VanDerWaalsContact O-N 3.14Å; N364-E367 HydrophobicContact CB-CB 4.09Å; N364-E367 WeakPolarHBondContact O-CA 3.29Å; N364-E367 WeakPolarHBondContact O-CB 3.4Å; N364-E367 PolarHBondContact O-N 3.28Å; N364-S368 PolarHBondContact O-N 3.24Å
365E62.7Low63.2Low86 Ų86100.4 Ų100.440%0.40252%0.521SS..Hα-helixtrans-56-33.9-179-64.5179.8171.500112.6P344 G363 E367 S368 M369P344-E365 HydrophobicContact CB-CB 4.45Å; G363-E365 PolarHBondContact O-N 3.31Å; E365-E367 VanDerWaalsContact C-N 3.31Å; E365-E367 PolarHBondContact O-N 3.24Å; E365-S368 WeakPolarHBondContact O-CB 3.18Å; E365-S368 PolarHBondContact O-N 2.91Å; E365-M369 PolarHBondContact O-N 2.95Å
366Q64.4Low65.1Low171 Ų17195.5 Ų95.580%0.79950%0.5SS*.Hα-helixtrans-66.3-32.8174.7-161.2175.27.800112.5N364 M369 A370N364-Q366 PolarHBondContact O-N 2.75Å; N364-Q366 VanDerWaalsContact O-N 3.14Å; Q366-M369 PolarHBondContact O-N 3.38Å; Q366-A370 WeakPolarHBondContact O-CB 3.44Å; Q366-A370 PolarHBondContact O-N 2.97Å
367E71.7Confident67.4Low84 Ų8495.9 Ų95.939%0.39349%0.494SS..Hα-helixtrans-71.3-38.9176-163.2-170157.900111N364 E365 M369 A370 R371N364-E367 HydrophobicContact CB-CB 4.09Å; N364-E367 WeakPolarHBondContact O-CA 3.29Å; N364-E367 WeakPolarHBondContact O-CB 3.4Å; N364-E367 PolarHBondContact O-N 3.28Å; E365-E367 VanDerWaalsContact C-N 3.31Å; E365-E367 PolarHBondContact O-N 3.24Å; E367-M369 VanDerWaalsContact C-N 3.34Å; E367-M369 PolarHBondContact O-N 3.46Å; E367-A370 PolarHBondContact O-N 3.47Å; E367-R371 WeakPolarHBondContact O-CB 3.44Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.21Å; E367-R371 PolarHBondContact O-N 2.89Å; E367-R371 IonicContact OE1-CZ 2.7Å; E367-R371 IonicContact OE1-NE 2.63Å; E367-R371 PolarHBondContact OE1-NE 3.46Å; E367-R371 IonicContact OE1-NH2 2.66Å; E367-R371 PolarHBondContact OE1-NH2 2.87Å
368S73.6Confident69.6Low62 Ų6291.2 Ų91.243%0.43447%0.465SS..Hα-helixtrans-59.9-43.5173.2-58.80000111.7N364 E365 R371 L372N364-S368 PolarHBondContact O-N 3.24Å; E365-S368 WeakPolarHBondContact O-CB 3.18Å; E365-S368 PolarHBondContact O-N 2.91Å; S368-R371 PolarHBondContact O-N 3.36Å; S368-L372 WeakPolarHBondContact O-CG 3.46Å; S368-L372 PolarHBondContact O-N 3.31Å
369M74.5Confident71.9Confident38 Ų3884.1 Ų84.119%0.18743%0.427CS..Hα-helixtrans-67.7-41.5176.1-74.6-63.5165.300112.8M340 G343 E365 Q366 E367 R371 L372 K373M340-M369 HydrophobicContact CG-SD 4.09Å; G343-M369 WeakPolarHBondContact O-CE 3.42Å; E365-M369 PolarHBondContact O-N 2.95Å; Q366-M369 PolarHBondContact O-N 3.38Å; E367-M369 VanDerWaalsContact C-N 3.34Å; E367-M369 PolarHBondContact O-N 3.46Å; M369-R371 VanDerWaalsContact C-N 3.29Å; M369-R371 PolarHBondContact O-N 3.28Å; M369-L372 PolarHBondContact O-N 2.87Å; M369-L372 HydrophobicContact SD-CD1 4.24Å; M369-K373 WeakPolarHBondContact O-CB 3.45Å; M369-K373 PolarHBondContact O-N 3.37Å
370A81.9Confident74.4Confident60 Ų6080.6 Ų80.650%0.49642%0.416SS..Hα-helixtrans-61.4-38.5174.800000111.9Q366 E367 K373 K374Q366-A370 WeakPolarHBondContact O-CB 3.44Å; Q366-A370 PolarHBondContact O-N 2.97Å; E367-A370 PolarHBondContact O-N 3.47Å; A370-K373 PolarHBondContact O-N 3.33Å; A370-K374 WeakPolarHBondContact O-CB 3.34Å; A370-K374 PolarHBondContact O-N 3.31Å
371R83.2Confident76.7Confident156 Ų15676.9 Ų76.959%0.58940%0.401SS*.Hα-helixtrans-64.2-46174.3-74.1171.6-176.4-146.15.9111.9E367 S368 M369 K373 K374 L375E367-R371 WeakPolarHBondContact O-CB 3.44Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.21Å; E367-R371 PolarHBondContact O-N 2.89Å; E367-R371 IonicContact OE1-CZ 2.7Å; E367-R371 IonicContact OE1-NE 2.63Å; E367-R371 PolarHBondContact OE1-NE 3.46Å; E367-R371 IonicContact OE1-NH2 2.66Å; E367-R371 PolarHBondContact OE1-NH2 2.87Å; S368-R371 PolarHBondContact O-N 3.36Å; M369-R371 VanDerWaalsContact C-N 3.29Å; M369-R371 PolarHBondContact O-N 3.28Å; R371-K373 VanDerWaalsContact C-N 3.35Å; R371-K373 PolarHBondContact O-N 3.19Å; R371-K374 WeakPolarHBondContact O-CB 3.31Å; R371-K374 PolarHBondContact O-N 3.44Å; R371-L375 WeakPolarHBondContact O-CG 3.22Å; R371-L375 PolarHBondContact O-N 3.16Å
372L84.2Confident79.1Confident32 Ų3272.6 Ų72.617%0.16837%0.369CS..Hα-helixtrans-60.3-44.8175.7-71.3176.9000111.6F336 I339 M340 S368 M369 K374 L375 M376F336-L372 HydrophobicContact CD1-CD2 3.93Å; F336-L372 HydrophobicContact CD2-CD2 4.35Å; F336-L372 HydrophobicContact CE1-CD2 4.03Å; F336-L372 HydrophobicContact CE2-CD2 4.46Å; F336-L372 HydrophobicContact CG-CD2 4.11Å; F336-L372 HydrophobicContact CZ-CD2 4.31Å; I339-L372 HydrophobicContact CG2-CD1 3.72Å; M340-L372 HydrophobicContact CG-CB 4.44Å; M340-L372 HydrophobicContact SD-CB 4.45Å; S368-L372 WeakPolarHBondContact O-CG 3.46Å; S368-L372 PolarHBondContact O-N 3.31Å; M369-L372 PolarHBondContact O-N 2.87Å; M369-L372 HydrophobicContact SD-CD1 4.24Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 2.89Å; L372-L375 PolarHBondContact O-N 3.3Å; L372-L375 VanDerWaalsContact O-N 3.15Å; L372-M376 WeakPolarHBondContact O-CG 3.47Å; L372-M376 PolarHBondContact O-N 2.98Å
373K87.1Confident81.3Confident131 Ų13164.8 Ų64.857%0.5734%0.338SS*.Hα-helixtrans-60.2-41.7175.7-169.3176.4-177.8178.80111.8M340 M369 A370 R371 L375 M376 T377M340-K373 HydrophobicContact CE-CB 4.12Å; M340-K373 HydrophobicContact CE-CG 4.41Å; M340-K373 HydrophobicContact SD-CB 4.41Å; M369-K373 WeakPolarHBondContact O-CB 3.45Å; M369-K373 PolarHBondContact O-N 3.37Å; A370-K373 PolarHBondContact O-N 3.33Å; R371-K373 VanDerWaalsContact C-N 3.35Å; R371-K373 PolarHBondContact O-N 3.19Å; K373-L375 PolarHBondContact O-N 3.44Å; K373-M376 PolarHBondContact O-N 3Å; K373-T377 WeakPolarHBondContact O-CG2 3.35Å; K373-T377 PolarHBondContact O-N 3.24Å
374K89.6Confident83.3Confident91 Ų9168.2 Ų68.240%0.39635%0.347SS..Hα-helixtrans-58.8-46.8173.8-174.5-178.6176.3-173.50111A370 R371 L372 M376 T377 I378 V412 D416A370-K374 WeakPolarHBondContact O-CB 3.34Å; A370-K374 PolarHBondContact O-N 3.31Å; R371-K374 WeakPolarHBondContact O-CB 3.31Å; R371-K374 PolarHBondContact O-N 3.44Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 2.89Å; K374-M376 VanDerWaalsContact C-N 3.31Å; K374-M376 PolarHBondContact O-N 3.1Å; K374-T377 PolarHBondContact O-N 3.42Å; K374-T377 PolarHBondContact O-OG1 2.94Å; K374-I378 WeakPolarHBondContact O-CG1 3.45Å; K374-I378 PolarHBondContact O-N 2.93Å; K374-I378 VanDerWaalsContact O-N 3.14Å; K374-V412 HydrophobicContact CG-CG1 4.49Å; K374-D416 WeakPolarHBondContact CE-OD2 3.49Å; K374-D416 IonicContact NZ-OD2 3.19Å; K374-D416 PolarHBondContact NZ-OD2 3.08Å
375L89.6Confident84.7Confident25 Ų2569 Ų6913%0.13135%0.347CS..Hα-helixtrans-61.6-38.5176.9-64.5173.5000112.2F336 R371 L372 K373 I378 M379 L420F336-L375 HydrophobicContact CD2-CB 4.31Å; F336-L375 HydrophobicContact CE2-CB 3.93Å; F336-L375 HydrophobicContact CE2-CD1 3.79Å; F336-L375 HydrophobicContact CZ-CD1 4.11Å; R371-L375 WeakPolarHBondContact O-CG 3.22Å; R371-L375 PolarHBondContact O-N 3.16Å; L372-L375 PolarHBondContact O-N 3.3Å; L372-L375 VanDerWaalsContact O-N 3.15Å; K373-L375 PolarHBondContact O-N 3.44Å; L375-I378 WeakPolarHBondContact O-CB 3.46Å; L375-I378 PolarHBondContact O-N 3.39Å; L375-M379 PolarHBondContact O-N 3.14Å; L375-M379 VanDerWaalsContact O-N 3.1Å; L375-L420 HydrophobicContact CB-CD1 4.05Å; L375-L420 HydrophobicContact CD2-CB 3.89Å; L375-L420 HydrophobicContact CD2-CD1 3.7Å; L375-L420 HydrophobicContact CD2-CG 3.94Å; L375-L420 HydrophobicContact CG-CD1 4.47Å
376M89.4Confident85.9Confident18 Ų1864.9 Ų64.99%0.08933%0.328CS..Hα-helixtrans-63-44.7174.6-69.8179.470.500112Y333 F336 Q337 M340 L372 K373 K374 I378 M379 D380Y333-M376 HydrophobicContact CD1-CE 4.35Å; Y333-M376 HydrophobicContact CD2-CE 4.49Å; Y333-M376 HydrophobicContact CD2-CG 4.37Å; Y333-M376 HydrophobicContact CE1-CE 3.71Å; Y333-M376 HydrophobicContact CE2-CB 3.95Å; Y333-M376 HydrophobicContact CE2-CE 3.89Å; Y333-M376 HydrophobicContact CE2-CG 4.17Å; Y333-M376 VanDerWaalsContact CZ-CE 3.47Å; F336-M376 HydrophobicContact CB-CG 4.1Å; F336-M376 HydrophobicContact CB-SD 4.14Å; F336-M376 HydrophobicContact CD2-CG 4.39Å; Q337-M376 HydrophobicContact CB-CE 3.97Å; Q337-M376 HydrophobicContact CG-CE 4.22Å; M340-M376 HydrophobicContact CG-SD 4.44Å; M340-M376 HydrophobicContact SD-SD 3.34Å; L372-M376 WeakPolarHBondContact O-CG 3.47Å; L372-M376 PolarHBondContact O-N 2.98Å; K373-M376 PolarHBondContact O-N 3Å; K374-M376 VanDerWaalsContact C-N 3.31Å; K374-M376 PolarHBondContact O-N 3.1Å; M376-I378 PolarHBondContact O-N 3.3Å; M376-M379 HydrophobicContact CG-CE 4.21Å; M376-M379 CarbonylContact O-C 3.58Å; M376-M379 WeakPolarHBondContact O-CA 3.3Å; M376-M379 WeakPolarHBondContact O-CB 3.24Å; M376-M379 PolarHBondContact O-N 3.36Å; M376-D380 VanDerWaalsContact O-CG 3.25Å; M376-D380 PolarHBondContact O-N 2.96Å
377T92.9Very high87.1Confident52 Ų5257.4 Ų57.432%0.31929%0.293SS..Hα-helixtrans-62.4-29.2176.757.30000113.5K373 K374 S381K373-T377 WeakPolarHBondContact O-CG2 3.35Å; K373-T377 PolarHBondContact O-N 3.24Å; K374-T377 PolarHBondContact O-N 3.42Å; K374-T377 PolarHBondContact O-OG1 2.94Å; T377-S381 PolarHBondContact O-N 2.88Å; T377-S381 PolarHBondContact O-OG 3.32Å
378I93.3Very high87.7Confident1 Ų157.1 Ų57.11%0.00529%0.294CS..Hα-helixtrans-68.3-43.5172.1-63.6171.2000110.2K374 L375 M376 S381 M382 V406 V412 D416 V417 L420K374-I378 WeakPolarHBondContact O-CG1 3.45Å; K374-I378 PolarHBondContact O-N 2.93Å; K374-I378 VanDerWaalsContact O-N 3.14Å; L375-I378 WeakPolarHBondContact O-CB 3.46Å; L375-I378 PolarHBondContact O-N 3.39Å; M376-I378 PolarHBondContact O-N 3.3Å; I378-S381 WeakPolarHBondContact O-CB 3.48Å; I378-S381 PolarHBondContact O-N 3.33Å; I378-M382 HydrophobicContact CG2-CE 4.24Å; I378-V406 HydrophobicContact CG2-CG1 3.58Å; I378-V406 WeakPolarHBondContact O-CG1 3.45Å; I378-V412 HydrophobicContact CD1-CG1 4.18Å; I378-V412 HydrophobicContact CD1-CG2 3.99Å; I378-V412 HydrophobicContact CG1-CG1 4.03Å; I378-V412 HydrophobicContact CG1-CG2 3.94Å; I378-D416 HydrophobicContact CD1-CB 4.39Å; I378-V417 HydrophobicContact CG2-CG1 4.39Å; I378-V417 HydrophobicContact CG2-CG2 4.07Å; I378-L420 HydrophobicContact CB-CD1 3.86Å; I378-L420 HydrophobicContact CD1-CD1 4.31Å; I378-L420 HydrophobicContact CG2-CD1 3.76Å
379M90.5Very high88.2Confident1 Ų156.8 Ų56.81%0.00529%0.288CS..Hα-helixtrans-68.3-32.7176.5-69.8-173.7-74.300112.7M332 Y333 F336 L375 M376 S381 M382 L387 L420M332-M379 HydrophobicContact CE-CE 4.03Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.3Å; Y333-M379 HydrophobicContact CD2-CB 3.7Å; Y333-M379 HydrophobicContact CD2-CE 3.71Å; Y333-M379 HydrophobicContact CD2-CG 4.5Å; Y333-M379 HydrophobicContact CD2-SD 4.12Å; Y333-M379 HydrophobicContact CE2-CB 4.19Å; Y333-M379 HydrophobicContact CG-CE 4.32Å; F336-M379 HydrophobicContact CD2-CE 3.46Å; F336-M379 VanDerWaalsContact CD2-CE 3.46Å; F336-M379 HydrophobicContact CE2-CE 3.83Å; L375-M379 PolarHBondContact O-N 3.14Å; L375-M379 VanDerWaalsContact O-N 3.1Å; M376-M379 HydrophobicContact CG-CE 4.21Å; M376-M379 CarbonylContact O-C 3.58Å; M376-M379 WeakPolarHBondContact O-CA 3.3Å; M376-M379 WeakPolarHBondContact O-CB 3.24Å; M376-M379 PolarHBondContact O-N 3.36Å; M379-S381 PolarHBondContact O-N 2.86Å; M379-M382 HydrophobicContact CG-CE 4.41Å; M379-M382 HydrophobicContact CG-SD 4.35Å; M379-M382 VanDerWaalsContact O-CB 3.27Å; M379-M382 WeakPolarHBondContact O-CB 3.43Å; M379-M382 PolarHBondContact O-N 2.81Å; M379-L387 HydrophobicContact CB-CD2 4.28Å; M379-L420 HydrophobicContact CG-CD1 4.04Å
380D93Very high88.2Confident95 Ų9561.7 Ų61.751%0.50831%0.308SS..Hα-helixtrans-62.1-21.4173.1-64.3-29.2000112.1Y333 M376Y333-D380 WeakPolarHBondContact CE2-OD1 3.5Å; Y333-D380 VanDerWaalsContact CZ-OD1 3.29Å; Y333-D380 PolarHBondContact OH-OD1 2.95Å; M376-D380 VanDerWaalsContact O-CG 3.25Å; M376-D380 PolarHBondContact O-N 2.96Å
381S94Very high87.8Confident29 Ų2962.2 Ų62.220%0.20330%0.303CS..THydrogen-bonded Turntrans-88.1-1.3174.5-62.50000114T377 I378 M379 R405 G409 S410T377-S381 PolarHBondContact O-N 2.88Å; T377-S381 PolarHBondContact O-OG 3.32Å; I378-S381 WeakPolarHBondContact O-CB 3.48Å; I378-S381 PolarHBondContact O-N 3.33Å; M379-S381 PolarHBondContact O-N 2.86Å; S381-R405 PolarHBondContact O-NH2 3.38Å; S381-G409 VanDerWaalsContact OG-C 3.26Å; S381-S410 PolarHBondContact OG-N 3.26Å
382M93Very high87.5Confident16 Ų1654.8 Ų54.88%0.07928%0.275CS..SBendtrans-89.2157.4174.2-58.1-175.8-179.100110.5L329 I378 M379 E386 L387 F396 V406 L420L329-M382 HydrophobicContact CD1-SD 3.97Å; I378-M382 HydrophobicContact CG2-CE 4.24Å; M379-M382 HydrophobicContact CG-CE 4.41Å; M379-M382 HydrophobicContact CG-SD 4.35Å; M379-M382 VanDerWaalsContact O-CB 3.27Å; M379-M382 WeakPolarHBondContact O-CB 3.43Å; M379-M382 PolarHBondContact O-N 2.81Å; M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.13Å; M382-L387 HydrophobicContact CB-CD2 3.96Å; M382-L387 HydrophobicContact CB-CG 3.96Å; M382-L387 HydrophobicContact SD-CD2 3.98Å; M382-F396 HydrophobicContact CE-CE2 4.11Å; M382-F396 HydrophobicContact CE-CZ 3.85Å; M382-F396 HydrophobicContact CG-CZ 3.88Å; M382-F396 HydrophobicContact SD-CE2 3.88Å; M382-F396 HydrophobicContact SD-CZ 3.64Å; M382-V406 HydrophobicContact CE-CG1 4.4Å; M382-V406 HydrophobicContact CG-CG1 4.44Å; M382-V406 HydrophobicContact CG-CG2 3.98Å; M382-L420 HydrophobicContact CE-CD2 4.11Å
383N92.1Very high87.2Confident56 Ų5653.8 Ų53.830%0.29927%0.271SS..  trans-96.2167.2174.267.213.6000111.9Q385 E386 L387N383-Q385 PolarHBondContact O-N 3.42Å; N383-Q385 PolarHBondContact OD1-N 3.31Å; N383-E386 PolarHBondContact N-OE2 3.42Å; N383-E386 WeakPolarHBondContact O-CA 3.49Å; N383-E386 WeakPolarHBondContact O-CB 3.47Å; N383-E386 PolarHBondContact O-N 2.85Å; N383-E386 VanDerWaalsContact OD1-CB 3.23Å; N383-E386 WeakPolarHBondContact OD1-CB 3.23Å; N383-E386 WeakPolarHBondContact OD1-CG 3.41Å; N383-E386 PolarHBondContact OD1-N 3.18Å; N383-E386 PolarHBondContact OD1-OE2 2.84Å; N383-L387 PolarHBondContact O-N 3.32Å
384D90.5Very high86.9Confident108 Ų10853 Ų5358%0.57827%0.268SS*.Hα-helixtrans-58.1-36-178.9-60.8-41.4000112.5R330 E386 L387 D388R330-D384 IonicContact CZ-OD1 3.84Å; R330-D384 IonicContact NH2-OD1 2.69Å; R330-D384 PolarHBondContact NH2-OD1 3.06Å; D384-E386 VanDerWaalsContact C-N 3.26Å; D384-E386 PolarHBondContact O-N 2.91Å; D384-L387 PolarHBondContact O-N 3.34Å; D384-D388 VanDerWaalsContact O-CB 3.29Å; D384-D388 WeakPolarHBondContact O-CB 3.5Å; D384-D388 PolarHBondContact O-N 3.16Å
385Q88.1Confident86.6Confident137 Ų13750.2 Ų50.264%0.6426%0.257SS*.Hα-helixtrans-63.5-30.7175.4-67.8-176.6-6.900113.6N383 N389N383-Q385 PolarHBondContact O-N 3.42Å; N383-Q385 PolarHBondContact OD1-N 3.31Å; Q385-N389 WeakPolarHBondContact O-CB 3.29Å
386E88.6Confident86.4Confident0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-81-38.9176.5-75153.7-171.200110.8M382 N383 D384 L395 F396 R402 R405M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.13Å; N383-E386 PolarHBondContact N-OE2 3.42Å; N383-E386 WeakPolarHBondContact O-CA 3.49Å; N383-E386 WeakPolarHBondContact O-CB 3.47Å; N383-E386 PolarHBondContact O-N 2.85Å; N383-E386 VanDerWaalsContact OD1-CB 3.23Å; N383-E386 WeakPolarHBondContact OD1-CB 3.23Å; N383-E386 WeakPolarHBondContact OD1-CG 3.41Å; N383-E386 PolarHBondContact OD1-N 3.18Å; N383-E386 PolarHBondContact OD1-OE2 2.84Å; D384-E386 VanDerWaalsContact C-N 3.26Å; D384-E386 PolarHBondContact O-N 2.91Å; E386-L395 HydrophobicContact CG-CD2 3.56Å; E386-F396 HydrophobicContact CB-CE2 3.96Å; E386-F396 HydrophobicContact CB-CZ 3.76Å; E386-F396 HydrophobicContact CG-CE1 4.31Å; E386-F396 HydrophobicContact CG-CE2 4.11Å; E386-F396 HydrophobicContact CG-CZ 3.69Å; E386-R402 IonicContact OE1-CZ 3.84Å; E386-R402 IonicContact OE1-NH1 2.82Å; E386-R402 PolarHBondContact OE1-NH1 3.32Å; E386-R405 VanDerWaalsContact CD-NH2 3.32Å; E386-R405 IonicContact OE1-CZ 3.46Å; E386-R405 IonicContact OE1-NH1 2.84Å; E386-R405 PolarHBondContact OE1-NH1 2.95Å; E386-R405 IonicContact OE1-NH2 3.04Å; E386-R405 PolarHBondContact OE1-NH2 3.35Å; E386-R405 IonicContact OE2-CZ 3.67Å; E386-R405 IonicContact OE2-NH1 3.8Å; E386-R405 IonicContact OE2-NH2 3.57Å; E386-R405 PolarHBondContact OE2-NH2 2.88Å
387L87.6Confident85.9Confident14 Ų1452.9 Ų52.97%0.07328%0.279CS..Hα-helixtrans-74.1-42.7-178.2-69.7175.5000113.3T328 L329 R330 M379 M382 N383 D384 N389T328-L387 WeakPolarHBondContact CB-O 3.42Å; L329-L387 HydrophobicContact CB-CD2 3.99Å; L329-L387 PolarHBondContact N-O 3.35Å; L329-L387 VanDerWaalsContact N-O 3.15Å; R330-L387 HydrophobicContact CB-CB 4.27Å; R330-L387 PolarHBondContact N-O 2.88Å; R330-L387 VanDerWaalsContact N-O 3.08Å; M379-L387 HydrophobicContact CB-CD2 4.28Å; M382-L387 HydrophobicContact CB-CD2 3.96Å; M382-L387 HydrophobicContact CB-CG 3.96Å; M382-L387 HydrophobicContact SD-CD2 3.98Å; N383-L387 PolarHBondContact O-N 3.32Å; D384-L387 PolarHBondContact O-N 3.34Å; L387-N389 VanDerWaalsContact C-N 3.34Å
388D85.8Confident85.4Confident77 Ų7758.2 Ų58.241%0.41230%0.298SS..SBendtrans-90.72.6-174.3-63.1-50.2000113.4R330 D384 K390R330-D388 VanDerWaalsContact CD-OD1 3.32Å; R330-D388 WeakPolarHBondContact CD-OD1 3.39Å; R330-D388 IonicContact CZ-OD1 2.76Å; R330-D388 IonicContact CZ-OD2 3.18Å; R330-D388 IonicContact NE-OD1 3.25Å; R330-D388 PolarHBondContact NE-OD1 3.49Å; R330-D388 IonicContact NE-OD2 2.69Å; R330-D388 PolarHBondContact NE-OD2 2.87Å; R330-D388 IonicContact NH2-OD1 3.83Å; R330-D388 IonicContact NH2-OD2 2.79Å; R330-D388 PolarHBondContact NH2-OD2 3.05Å; D384-D388 VanDerWaalsContact O-CB 3.29Å; D384-D388 WeakPolarHBondContact O-CB 3.5Å; D384-D388 PolarHBondContact O-N 3.16Å; D388-K390 PolarHBondContact O-N 3.41Å
389N84.2Confident84.8Confident56 Ų5659 Ų5930%0.29931%0.305SS..  trans-71.3133.3177-155.4-60.6000111.3Q385 L387 D391 G392 L395Q385-N389 WeakPolarHBondContact O-CB 3.29Å; L387-N389 VanDerWaalsContact C-N 3.34Å; N389-D391 PolarHBondContact O-N 2.97Å; N389-D391 PolarHBondContact OD1-N 2.81Å; N389-G392 PolarHBondContact O-N 3.4Å; N389-L395 HydrophobicContact CB-CD1 4.49Å; N389-L395 WeakPolarHBondContact ND2-CD1 3.13Å
390K73.8Confident84.4Confident141 Ų14163 Ų6361%0.61333%0.332SS*.THydrogen-bonded Turntrans-55.7-25.7173.9-62.6-171.7-178.1-169.70113.4Q326 D388Q326-K390 VanDerWaalsContact OE1-CE 3.22Å; D388-K390 PolarHBondContact O-N 3.41Å
391D73.8Confident84.2Confident71 Ų7165 Ų6538%0.3834%0.343SS..THydrogen-bonded Turntrans-136.567.7174.7-165.7-11000109.9N389 A393 K394 L395N389-D391 PolarHBondContact O-N 2.97Å; N389-D391 PolarHBondContact OD1-N 2.81Å; D391-A393 PolarHBondContact O-N 3.44Å; D391-K394 HydrophobicContact CB-CB 4.05Å; D391-K394 PolarHBondContact O-N 3.22Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD1-CB 3.5Å; D391-K394 PolarHBondContact OD1-N 3.24Å; D391-K394 WeakPolarHBondContact OD2-CB 3.41Å; D391-K394 WeakPolarHBondContact OD2-CD 3.41Å; D391-L395 PolarHBondContact O-N 2.84Å
392G75.9Confident83.9Confident0 Ų067.2 Ų67.20%035%0.346CS..Hα-helixtrans-50.4-43.5178.800000112.8N389 K394 L395 F396N389-G392 PolarHBondContact O-N 3.4Å; G392-K394 VanDerWaalsContact C-N 3.35Å; G392-K394 PolarHBondContact O-N 2.77Å; G392-L395 WeakPolarHBondContact O-CB 3.44Å; G392-L395 PolarHBondContact O-N 3.39Å; G392-L395 VanDerWaalsContact O-N 3.1Å; G392-F396 WeakPolarHBondContact O-CD2 3.28Å; G392-F396 PolarHBondContact O-N 3.32Å
393A79.1Confident83.8Confident11 Ų1167.3 Ų67.39%0.09135%0.347CS..Hα-helixtrans-56.3-45.3177.500000112.9D391 L395 F396 S397 Y424D391-A393 PolarHBondContact O-N 3.44Å; A393-L395 VanDerWaalsContact C-N 3.29Å; A393-L395 PolarHBondContact O-N 3.5Å; A393-F396 PolarHBondContact O-N 3.39Å; A393-S397 PolarHBondContact O-N 3.1Å; A393-S397 PolarHBondContact O-OG 2.77Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; A393-Y424 HydrophobicContact CB-CD1 4.01Å; A393-Y424 HydrophobicContact CB-CE1 4.09Å
394K81.4Confident83.7Confident115 Ų11566.5 Ų66.550%0.535%0.348SS..Hα-helixtrans-65.9-30.5179-173174.1-175.2175.30113.1D391 G392 S397 K398D391-K394 HydrophobicContact CB-CB 4.05Å; D391-K394 PolarHBondContact O-N 3.22Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD1-CB 3.5Å; D391-K394 PolarHBondContact OD1-N 3.24Å; D391-K394 WeakPolarHBondContact OD2-CB 3.41Å; D391-K394 WeakPolarHBondContact OD2-CD 3.41Å; G392-K394 VanDerWaalsContact C-N 3.35Å; G392-K394 PolarHBondContact O-N 2.77Å; K394-S397 PolarHBondContact O-N 2.94Å; K394-K398 WeakPolarHBondContact O-CG 3.46Å; K394-K398 PolarHBondContact O-N 3.35Å; K394-K398 VanDerWaalsContact O-N 3.1Å
395L82.6Confident83.9Confident32 Ų3265.4 Ų65.417%0.16834%0.336CS..Hα-helixtrans-68.7-38176.4-168.6143.3000111.6E386 N389 D391 G392 A393 K398 G399E386-L395 HydrophobicContact CG-CD2 3.56Å; N389-L395 HydrophobicContact CB-CD1 4.49Å; N389-L395 WeakPolarHBondContact ND2-CD1 3.13Å; D391-L395 PolarHBondContact O-N 2.84Å; G392-L395 WeakPolarHBondContact O-CB 3.44Å; G392-L395 PolarHBondContact O-N 3.39Å; G392-L395 VanDerWaalsContact O-N 3.1Å; A393-L395 VanDerWaalsContact C-N 3.29Å; A393-L395 PolarHBondContact O-N 3.5Å; L395-K398 PolarHBondContact O-N 3.28Å; L395-G399 PolarHBondContact O-N 3Å
396F84.1Confident84.2Confident1 Ų158.9 Ų58.90%0.00431%0.305CS..Hα-helixtrans-69.4-33.7171.4-73.4-79.4000112.9L329 M382 E386 G392 A393 K398 G399 R402 I403 V406 L421L329-F396 HydrophobicContact CD1-CE2 3.96Å; M382-F396 HydrophobicContact CE-CE2 4.11Å; M382-F396 HydrophobicContact CE-CZ 3.85Å; M382-F396 HydrophobicContact CG-CZ 3.88Å; M382-F396 HydrophobicContact SD-CE2 3.88Å; M382-F396 HydrophobicContact SD-CZ 3.64Å; E386-F396 HydrophobicContact CB-CE2 3.96Å; E386-F396 HydrophobicContact CB-CZ 3.76Å; E386-F396 HydrophobicContact CG-CE1 4.31Å; E386-F396 HydrophobicContact CG-CE2 4.11Å; E386-F396 HydrophobicContact CG-CZ 3.69Å; G392-F396 WeakPolarHBondContact O-CD2 3.28Å; G392-F396 PolarHBondContact O-N 3.32Å; A393-F396 PolarHBondContact O-N 3.39Å; F396-K398 VanDerWaalsContact C-N 3.35Å; F396-K398 PolarHBondContact O-N 3.41Å; F396-G399 CarbonylContact O-C 3.36Å; F396-G399 PolarHBondContact O-N 2.92Å; F396-R402 HydrophobicContact CD1-CB 3.72Å; F396-R402 HydrophobicContact CE1-CB 3.82Å; F396-I403 HydrophobicContact CB-CD1 4.48Å; F396-I403 HydrophobicContact CB-CG1 4.22Å; F396-I403 HydrophobicContact CD1-CG1 4.01Å; F396-V406 HydrophobicContact CE1-CG2 3.96Å; F396-V406 HydrophobicContact CZ-CG2 4.43Å; F396-L421 HydrophobicContact CB-CD1 3.48Å; F396-L421 VanDerWaalsContact CB-CD1 3.48Å; F396-L421 HydrophobicContact CB-CD2 4.45Å; F396-L421 HydrophobicContact CD1-CD1 4.41Å; F396-L421 HydrophobicContact CD2-CD1 4.07Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.45Å; F396-L421 HydrophobicContact CE2-CD2 4.06Å; F396-L421 HydrophobicContact CG-CD1 3.75Å; F396-L421 HydrophobicContact CG-CD2 4.12Å
397S79.9Confident84.4Confident97 Ų9759.1 Ų59.168%0.67831%0.307SS*.Hα-helixtrans-65.7-34.6174-53.50000113.2A393 K394A393-S397 PolarHBondContact O-N 3.1Å; A393-S397 PolarHBondContact O-OG 2.77Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; K394-S397 PolarHBondContact O-N 2.94Å
398K81.6Confident84.6Confident165 Ų16568 Ų6872%0.71734%0.34SS*.Hα-helixtrans-76.8-20.8177.5-72.6-179.4177.1-1720113.6K394 L395 F396K394-K398 WeakPolarHBondContact O-CG 3.46Å; K394-K398 PolarHBondContact O-N 3.35Å; K394-K398 VanDerWaalsContact O-N 3.1Å; L395-K398 PolarHBondContact O-N 3.28Å; F396-K398 VanDerWaalsContact C-N 3.35Å; F396-K398 PolarHBondContact O-N 3.41Å
399G81Confident85Confident16 Ų1667 Ų6717%0.16535%0.349CS..  trans-135.177.8-175.700000111.6L395 F396 N401 R402L395-G399 PolarHBondContact O-N 3Å; F396-G399 CarbonylContact O-C 3.36Å; F396-G399 PolarHBondContact O-N 2.92Å; G399-N401 PolarHBondContact O-N 3.28Å; G399-N401 VanDerWaalsContact O-N 3.09Å; G399-R402 VanDerWaalsContact O-CB 3.25Å; G399-R402 WeakPolarHBondContact O-CB 3.46Å; G399-R402 WeakPolarHBondContact O-CG 3.32Å; G399-R402 PolarHBondContact O-N 2.99Å
400P82.3Confident85.4Confident86 Ų8665.6 Ų65.656%0.55834%0.343SS*.Hα-helixtrans-59.8-24.6-177.923.2-33.5000113.2R402 I403 A404P400-R402 PolarHBondContact O-N 3.23Å; P400-I403 WeakPolarHBondContact O-CB 3.4Å; P400-I403 PolarHBondContact O-N 3.17Å; P400-I403 VanDerWaalsContact O-N 3.08Å; P400-A404 PolarHBondContact O-N 2.86Å
401N88.1Confident86.3Confident138 Ų13862.3 Ų62.374%0.73835%0.349SS*.Hα-helixtrans-59.7-26.2172.8-67.9-11.3000113.1G399 A404 R405G399-N401 PolarHBondContact O-N 3.28Å; G399-N401 VanDerWaalsContact O-N 3.09Å; N401-A404 PolarHBondContact O-N 3.48Å; N401-R405 PolarHBondContact O-N 3.46Å
402R89.6Confident87.3Confident74 Ų7460 Ų6028%0.27934%0.338SS..Hα-helixtrans-67.7-39.4175.2-60.4175.2-177.9-91.30.8111.3E386 F396 G399 P400 A404 R405 V406E386-R402 IonicContact OE1-CZ 3.84Å; E386-R402 IonicContact OE1-NH1 2.82Å; E386-R402 PolarHBondContact OE1-NH1 3.32Å; F396-R402 HydrophobicContact CD1-CB 3.72Å; F396-R402 HydrophobicContact CE1-CB 3.82Å; G399-R402 VanDerWaalsContact O-CB 3.25Å; G399-R402 WeakPolarHBondContact O-CB 3.46Å; G399-R402 WeakPolarHBondContact O-CG 3.32Å; G399-R402 PolarHBondContact O-N 2.99Å; P400-R402 PolarHBondContact O-N 3.23Å; R402-A404 VanDerWaalsContact C-N 3.35Å; R402-A404 PolarHBondContact O-N 2.81Å; R402-R405 WeakPolarHBondContact O-CB 3.32Å; R402-R405 PolarHBondContact O-N 3.42Å; R402-V406 WeakPolarHBondContact O-CG2 3.16Å; R402-V406 PolarHBondContact O-N 3.43Å
403I89.9Confident88.1Confident19 Ų1962.6 Ų62.610%0.09736%0.359CS..Hα-helixtrans-61.8-45.7176.7-58.9177.8000109.8F396 P400 R405 V406 A407 T414 V417 Q418F396-I403 HydrophobicContact CB-CD1 4.48Å; F396-I403 HydrophobicContact CB-CG1 4.22Å; F396-I403 HydrophobicContact CD1-CG1 4.01Å; P400-I403 WeakPolarHBondContact O-CB 3.4Å; P400-I403 PolarHBondContact O-N 3.17Å; P400-I403 VanDerWaalsContact O-N 3.08Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.06Å; I403-V406 PolarHBondContact O-N 2.79Å; I403-A407 VanDerWaalsContact O-CB 3.23Å; I403-A407 WeakPolarHBondContact O-CB 3.27Å; I403-A407 PolarHBondContact O-N 3.06Å; I403-T414 HydrophobicContact CG2-CG2 4.42Å; I403-V417 HydrophobicContact CG2-CB 3.97Å; I403-V417 HydrophobicContact CG2-CG1 4Å; I403-Q418 HydrophobicContact CD1-CG 4.29Å; I403-Q418 HydrophobicContact CG2-CG 4.45Å
404A90.6Very high88.7Confident39 Ų3965.6 Ų65.632%0.32238%0.376SS..Hα-helixtrans-66-31.4177.100000113.1P400 N401 R402 R408P400-A404 PolarHBondContact O-N 2.86Å; N401-A404 PolarHBondContact O-N 3.48Å; R402-A404 VanDerWaalsContact C-N 3.35Å; R402-A404 PolarHBondContact O-N 2.81Å; A404-R408 VanDerWaalsContact O-CG 3.31Å; A404-R408 WeakPolarHBondContact O-CG 3.3Å; A404-R408 PolarHBondContact O-N 2.71Å; A404-R408 PolarHBondContact O-NE 3.21Å
405R94.3Very high89.2Confident84 Ų8468.7 Ų68.732%0.31739%0.385SS..Hα-helixtrans-69-51173.8-169.6-161.275.9-135.8-5.8111.2S381 E386 N401 R402 I403 A407 R408 G409S381-R405 PolarHBondContact O-NH2 3.38Å; E386-R405 VanDerWaalsContact CD-NH2 3.32Å; E386-R405 IonicContact OE1-CZ 3.46Å; E386-R405 IonicContact OE1-NH1 2.84Å; E386-R405 PolarHBondContact OE1-NH1 2.95Å; E386-R405 IonicContact OE1-NH2 3.04Å; E386-R405 PolarHBondContact OE1-NH2 3.35Å; E386-R405 IonicContact OE2-CZ 3.67Å; E386-R405 IonicContact OE2-NH1 3.8Å; E386-R405 IonicContact OE2-NH2 3.57Å; E386-R405 PolarHBondContact OE2-NH2 2.88Å; N401-R405 PolarHBondContact O-N 3.46Å; R402-R405 WeakPolarHBondContact O-CB 3.32Å; R402-R405 PolarHBondContact O-N 3.42Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.06Å; R405-A407 VanDerWaalsContact C-N 3.34Å; R405-A407 PolarHBondContact O-N 3.28Å; R405-R408 PolarHBondContact O-N 3.06Å; R405-G409 PolarHBondContact O-N 2.81Å
406V93.7Very high89.6Confident0 Ų069.1 Ų69.10%039%0.387CS..Hα-helixtrans-60.4-44.6179.6169.70000110.9I378 M382 F396 R402 I403 R408 G409 S410 V417I378-V406 HydrophobicContact CG2-CG1 3.58Å; I378-V406 WeakPolarHBondContact O-CG1 3.45Å; M382-V406 HydrophobicContact CE-CG1 4.4Å; M382-V406 HydrophobicContact CG-CG1 4.44Å; M382-V406 HydrophobicContact CG-CG2 3.98Å; F396-V406 HydrophobicContact CE1-CG2 3.96Å; F396-V406 HydrophobicContact CZ-CG2 4.43Å; R402-V406 WeakPolarHBondContact O-CG2 3.16Å; R402-V406 PolarHBondContact O-N 3.43Å; I403-V406 PolarHBondContact O-N 2.79Å; V406-R408 PolarHBondContact O-N 2.67Å; V406-G409 PolarHBondContact O-N 3.19Å; V406-S410 PolarHBondContact O-N 2.88Å; V406-S410 PolarHBondContact O-OG 2.9Å; V406-V417 HydrophobicContact CB-CG1 4.41Å; V406-V417 HydrophobicContact CG1-CG1 3.99Å; V406-V417 HydrophobicContact CG1-CG2 4Å
407A93.7Very high89.9Confident5 Ų569 Ų694%0.04139%0.387CS..Hα-helixtrans-58.5-45.1176.900000112.2I403 R405 G411 V412 T414 V417I403-A407 VanDerWaalsContact O-CB 3.23Å; I403-A407 WeakPolarHBondContact O-CB 3.27Å; I403-A407 PolarHBondContact O-N 3.06Å; R405-A407 VanDerWaalsContact C-N 3.34Å; R405-A407 PolarHBondContact O-N 3.28Å; A407-G411 PolarHBondContact O-N 3.13Å; A407-V412 CarbonylContact C-O 3.6Å; A407-V412 WeakPolarHBondContact CB-O 3.48Å; A407-V412 PolarHBondContact O-N 2.9Å; A407-T414 HydrophobicContact CB-CG2 3.97Å; A407-V417 HydrophobicContact CB-CG2 4Å
408R92.5Very high90.4Very high200 Ų20069.3 Ų69.376%0.75538%0.377SS*.Hα-helixtrans-65.9-41.5175.7-74.6-175.9-65.1158-0.6112.9A404 R405 V406 G411A404-R408 VanDerWaalsContact O-CG 3.31Å; A404-R408 WeakPolarHBondContact O-CG 3.3Å; A404-R408 PolarHBondContact O-N 2.71Å; A404-R408 PolarHBondContact O-NE 3.21Å; R405-R408 PolarHBondContact O-N 3.06Å; V406-R408 PolarHBondContact O-N 2.67Å; R408-G411 PolarHBondContact O-N 3.25Å
409G92.9Very high90.7Very high58 Ų5866 Ų6660%0.59836%0.364SS*.Hα-helixtrans-67.3-33.8-179.300000113.7S381 R405 V406S381-G409 VanDerWaalsContact OG-C 3.26Å; R405-G409 PolarHBondContact O-N 2.81Å; V406-G409 PolarHBondContact O-N 3.19Å
410S92.3Very high91.1Very high26 Ų2665.2 Ų65.218%0.18236%0.357CS..Hα-helixtrans-96.8-4.1179.653.50000113.9S381 V406 V412S381-S410 PolarHBondContact OG-N 3.26Å; V406-S410 PolarHBondContact O-N 2.88Å; V406-S410 PolarHBondContact O-OG 2.9Å; S410-V412 VanDerWaalsContact C-N 3.28Å; S410-V412 PolarHBondContact O-N 2.87Å; S410-V412 WeakPolarHBondContact OG-CG2 3.48Å
411G93.4Very high91.4Very high72 Ų7261.9 Ų61.974%0.74233%0.334SS*.THydrogen-bonded Turntrans68.721.6-179.100000114.4A407 R408A407-G411 PolarHBondContact O-N 3.13Å; R408-G411 PolarHBondContact O-N 3.25Å
412V94.1Very high91.4Very high23 Ų2358.8 Ų58.814%0.13932%0.32CS..  trans-106.6165.9-178.3-52.80000112K374 I378 A407 S410 D416 V417K374-V412 HydrophobicContact CG-CG1 4.49Å; I378-V412 HydrophobicContact CD1-CG1 4.18Å; I378-V412 HydrophobicContact CD1-CG2 3.99Å; I378-V412 HydrophobicContact CG1-CG1 4.03Å; I378-V412 HydrophobicContact CG1-CG2 3.94Å; A407-V412 CarbonylContact C-O 3.6Å; A407-V412 WeakPolarHBondContact CB-O 3.48Å; A407-V412 PolarHBondContact O-N 2.9Å; S410-V412 VanDerWaalsContact C-N 3.28Å; S410-V412 PolarHBondContact O-N 2.87Å; S410-V412 WeakPolarHBondContact OG-CG2 3.48Å; V412-D416 HydrophobicContact CB-CB 4.09Å; V412-D416 HydrophobicContact CG2-CB 4.08Å; V412-V417 HydrophobicContact CG2-CG2 3.78Å
413A93.7Very high91.1Very high54 Ų5458.8 Ų58.845%0.44632%0.323SS..  trans-72.3151.6172.900000111.2R415 D416A413-R415 PolarHBondContact O-N 2.94Å; A413-R415 VanDerWaalsContact O-N 3.15Å; A413-D416 WeakPolarHBondContact O-CB 3.38Å; A413-D416 PolarHBondContact O-N 3.48Å
414T91.8Very high90.9Very high74 Ų7458.1 Ų58.145%0.45432%0.32SS..Hα-helixtrans-57.2-3117550.20000112.8I403 A407 D416 V417 Q418I403-T414 HydrophobicContact CG2-CG2 4.42Å; A407-T414 HydrophobicContact CB-CG2 3.97Å; T414-D416 VanDerWaalsContact C-N 3.34Å; T414-D416 PolarHBondContact O-N 3.03Å; T414-V417 PolarHBondContact O-N 3.15Å; T414-Q418 WeakPolarHBondContact O-CG 3.43Å; T414-Q418 PolarHBondContact O-N 3Å; T414-Q418 VanDerWaalsContact O-N 3.13Å
415R92.2Very high90.6Very high180 Ų18058.9 Ų58.968%0.67932%0.32SS*.Hα-helixtrans-59.5-41.2172.8179.4177.9173.9161.3-0.1112.5A413 V417 Q418 E419A413-R415 PolarHBondContact O-N 2.94Å; A413-R415 VanDerWaalsContact O-N 3.15Å; R415-V417 VanDerWaalsContact C-N 3.29Å; R415-V417 PolarHBondContact O-N 3.33Å; R415-Q418 PolarHBondContact O-N 3.07Å; R415-E419 WeakPolarHBondContact O-CB 3.24Å; R415-E419 PolarHBondContact O-N 3.36Å
416D90.6Very high90.1Very high40 Ų4061.3 Ų61.321%0.21433%0.333CS..Hα-helixtrans-65.6-37.4-178.1-64.7-16.3000110.8K374 I378 V412 A413 T414 E419 L420K374-D416 WeakPolarHBondContact CE-OD2 3.49Å; K374-D416 IonicContact NZ-OD2 3.19Å; K374-D416 PolarHBondContact NZ-OD2 3.08Å; I378-D416 HydrophobicContact CD1-CB 4.39Å; V412-D416 HydrophobicContact CB-CB 4.09Å; V412-D416 HydrophobicContact CG2-CB 4.08Å; A413-D416 WeakPolarHBondContact O-CB 3.38Å; A413-D416 PolarHBondContact O-N 3.48Å; T414-D416 VanDerWaalsContact C-N 3.34Å; T414-D416 PolarHBondContact O-N 3.03Å; D416-E419 PolarHBondContact O-N 2.99Å; D416-L420 PolarHBondContact O-N 3.49Å
417V90.7Very high89.3Confident0 Ų065.1 Ų65.10%035%0.35CS..Hα-helixtrans-67-42.2175.1-174.60000110.9I378 I403 V406 A407 V412 T414 R415 E419 L420 L421I378-V417 HydrophobicContact CG2-CG1 4.39Å; I378-V417 HydrophobicContact CG2-CG2 4.07Å; I403-V417 HydrophobicContact CG2-CB 3.97Å; I403-V417 HydrophobicContact CG2-CG1 4Å; V406-V417 HydrophobicContact CB-CG1 4.41Å; V406-V417 HydrophobicContact CG1-CG1 3.99Å; V406-V417 HydrophobicContact CG1-CG2 4Å; A407-V417 HydrophobicContact CB-CG2 4Å; V412-V417 HydrophobicContact CG2-CG2 3.78Å; T414-V417 PolarHBondContact O-N 3.15Å; R415-V417 VanDerWaalsContact C-N 3.29Å; R415-V417 PolarHBondContact O-N 3.33Å; V417-E419 VanDerWaalsContact C-N 3.31Å; V417-E419 PolarHBondContact O-N 2.9Å; V417-L420 PolarHBondContact O-N 2.82Å; V417-L421 WeakPolarHBondContact O-CG 3.42Å; V417-L421 PolarHBondContact O-N 2.99Å
418Q89.5Confident88.5Confident102 Ų10266 Ų6648%0.47736%0.357SS..Hα-helixtrans-64.3-37175.4-70.6174.3-18.300112.2I403 T414 R415 L421 T422I403-Q418 HydrophobicContact CD1-CG 4.29Å; I403-Q418 HydrophobicContact CG2-CG 4.45Å; T414-Q418 WeakPolarHBondContact O-CG 3.43Å; T414-Q418 PolarHBondContact O-N 3Å; T414-Q418 VanDerWaalsContact O-N 3.13Å; R415-Q418 PolarHBondContact O-N 3.07Å; Q418-L421 PolarHBondContact O-N 3.29Å; Q418-T422 WeakPolarHBondContact O-CB 3.38Å; Q418-T422 PolarHBondContact O-N 3.04Å; Q418-T422 PolarHBondContact O-OG1 3.44Å
419E88.5Confident87.8Confident95 Ų9562 Ų6244%0.44435%0.347SS..Hα-helixtrans-64.3-45175.3-168174.1169.200111.1R415 D416 V417 L421 T422 Q423R415-E419 WeakPolarHBondContact O-CB 3.24Å; R415-E419 PolarHBondContact O-N 3.36Å; D416-E419 PolarHBondContact O-N 2.99Å; V417-E419 VanDerWaalsContact C-N 3.31Å; V417-E419 PolarHBondContact O-N 2.9Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 3.25Å; E419-T422 WeakPolarHBondContact O-CB 3.43Å; E419-T422 PolarHBondContact O-N 2.71Å; E419-Q423 VanDerWaalsContact O-CG 3.3Å; E419-Q423 WeakPolarHBondContact O-CG 3.47Å; E419-Q423 PolarHBondContact O-N 2.89Å; E419-Q423 PolarHBondContact OE1-NE2 2.63Å
420L89.1Confident86.8Confident1 Ų165.3 Ų65.31%0.00535%0.348CS..Hα-helixtrans-55.8-48173.2-177.4156.9000111.4L329 M332 L375 I378 M379 M382 D416 V417 T422 Q423 Y424L329-L420 HydrophobicContact CD2-CD2 4.14Å; M332-L420 HydrophobicContact CE-CD2 4.05Å; M332-L420 HydrophobicContact CE-CG 4.38Å; L375-L420 HydrophobicContact CB-CD1 4.05Å; L375-L420 HydrophobicContact CD2-CB 3.89Å; L375-L420 HydrophobicContact CD2-CD1 3.7Å; L375-L420 HydrophobicContact CD2-CG 3.94Å; L375-L420 HydrophobicContact CG-CD1 4.47Å; I378-L420 HydrophobicContact CB-CD1 3.86Å; I378-L420 HydrophobicContact CD1-CD1 4.31Å; I378-L420 HydrophobicContact CG2-CD1 3.76Å; M379-L420 HydrophobicContact CG-CD1 4.04Å; M382-L420 HydrophobicContact CE-CD2 4.11Å; D416-L420 PolarHBondContact O-N 3.49Å; V417-L420 PolarHBondContact O-N 2.82Å; L420-T422 VanDerWaalsContact C-N 3.29Å; L420-T422 PolarHBondContact O-N 3.35Å; L420-Q423 WeakPolarHBondContact O-CB 3.47Å; L420-Q423 PolarHBondContact O-N 3.48Å; L420-Y424 WeakPolarHBondContact O-CB 3.33Å; L420-Y424 PolarHBondContact O-N 3.34Å
421L88.7Confident85.7Confident15 Ų1564.6 Ų64.68%0.07934%0.343CS..Hα-helixtrans-64.3-35.1179.5-65.4172.7000112.4L329 F396 V417 Q418 E419 T425L329-L421 HydrophobicContact CD1-CD2 4.37Å; F396-L421 HydrophobicContact CB-CD1 3.48Å; F396-L421 VanDerWaalsContact CB-CD1 3.48Å; F396-L421 HydrophobicContact CB-CD2 4.45Å; F396-L421 HydrophobicContact CD1-CD1 4.41Å; F396-L421 HydrophobicContact CD2-CD1 4.07Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.45Å; F396-L421 HydrophobicContact CE2-CD2 4.06Å; F396-L421 HydrophobicContact CG-CD1 3.75Å; F396-L421 HydrophobicContact CG-CD2 4.12Å; V417-L421 WeakPolarHBondContact O-CG 3.42Å; V417-L421 PolarHBondContact O-N 2.99Å; Q418-L421 PolarHBondContact O-N 3.29Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 3.25Å; L421-T425 WeakPolarHBondContact O-CB 3.4Å; L421-T425 PolarHBondContact O-N 2.92Å; L421-T425 PolarHBondContact O-OG1 3.4Å
422T87.4Confident84.6Confident73 Ų7368.6 Ų68.645%0.44834%0.34SS..Hα-helixtrans-67.5-43175-55.50000110.9Q418 E419 L420 T425 K426Q418-T422 WeakPolarHBondContact O-CB 3.38Å; Q418-T422 PolarHBondContact O-N 3.04Å; Q418-T422 PolarHBondContact O-OG1 3.44Å; E419-T422 WeakPolarHBondContact O-CB 3.43Å; E419-T422 PolarHBondContact O-N 2.71Å; L420-T422 VanDerWaalsContact C-N 3.29Å; L420-T422 PolarHBondContact O-N 3.35Å; T422-T425 PolarHBondContact O-N 2.9Å; T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.23Å; T422-K426 VanDerWaalsContact O-N 3.1Å
423Q83.8Confident83.4Confident75 Ų7574.7 Ų74.735%0.3536%0.364SS..Hα-helixtrans-63.2-45.9175.2-70.4173.8500111.1E419 L420 T425 K426 F427E419-Q423 VanDerWaalsContact O-CG 3.3Å; E419-Q423 WeakPolarHBondContact O-CG 3.47Å; E419-Q423 PolarHBondContact O-N 2.89Å; E419-Q423 PolarHBondContact OE1-NE2 2.63Å; L420-Q423 WeakPolarHBondContact O-CB 3.47Å; L420-Q423 PolarHBondContact O-N 3.48Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.09Å; Q423-K426 PolarHBondContact O-N 3.22Å; Q423-F427 WeakPolarHBondContact O-CB 3.47Å; Q423-F427 PolarHBondContact O-N 3.49Å
424Y85.4Confident81.4Confident5 Ų577.7 Ų77.72%0.0237%0.371CS..Hα-helixtrans-55.1-46.8172.7165.4-101.3000111.7F327 L329 M332 A393 L420 K426 F427 A428F327-Y424 HydrophobicContact CD1-CD2 4.39Å; F327-Y424 AromaticContact CD1-CE2 3.84Å; F327-Y424 HydrophobicContact CD1-CE2 3.84Å; F327-Y424 HydrophobicContact CE1-CD2 4.1Å; F327-Y424 AromaticContact CE1-CE2 3.94Å; F327-Y424 HydrophobicContact CE1-CE2 3.94Å; F327-Y424 PolarHBondContact O-OH 3.44Å; L329-Y424 HydrophobicContact CD2-CD1 4.11Å; L329-Y424 HydrophobicContact CD2-CD2 3.45Å; L329-Y424 VanDerWaalsContact CD2-CD2 3.45Å; L329-Y424 HydrophobicContact CD2-CE2 3.94Å; L329-Y424 HydrophobicContact CD2-CG 3.53Å; L329-Y424 HydrophobicContact CG-CD1 4.42Å; L329-Y424 HydrophobicContact CG-CD2 3.96Å; L329-Y424 HydrophobicContact CG-CE1 4.38Å; L329-Y424 HydrophobicContact CG-CE2 3.89Å; L329-Y424 HydrophobicContact CG-CG 4.2Å; M332-Y424 HydrophobicContact CB-CD2 4.43Å; M332-Y424 HydrophobicContact CE-CD2 4.49Å; M332-Y424 HydrophobicContact SD-CD2 3.83Å; M332-Y424 HydrophobicContact SD-CG 4.32Å; A393-Y424 HydrophobicContact CB-CD1 4.01Å; A393-Y424 HydrophobicContact CB-CE1 4.09Å; L420-Y424 WeakPolarHBondContact O-CB 3.33Å; L420-Y424 PolarHBondContact O-N 3.34Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 2.94Å; Y424-F427 PolarHBondContact O-N 3.15Å; Y424-F427 VanDerWaalsContact O-N 3.13Å; Y424-A428 WeakPolarHBondContact O-CB 3.29Å; Y424-A428 PolarHBondContact O-N 2.69Å
425T84.7Confident79.6Confident54 Ų5475.5 Ų75.533%0.33136%0.362SS..Hα-helixtrans-61.7-42.5-179.7-55.90000111.6L421 T422 Q423 F427 Q429L421-T425 WeakPolarHBondContact O-CB 3.4Å; L421-T425 PolarHBondContact O-N 2.92Å; L421-T425 PolarHBondContact O-OG1 3.4Å; T422-T425 PolarHBondContact O-N 2.9Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.09Å; T425-F427 VanDerWaalsContact C-N 3.35Å; T425-Q429 VanDerWaalsContact O-CG 3.27Å; T425-Q429 WeakPolarHBondContact O-CG 3.44Å; T425-Q429 PolarHBondContact O-N 3.24Å
426K82.6Confident77.5Confident136 Ų13669.3 Ų69.359%0.59136%0.355SS*.Hα-helixtrans-63.7-41.4174.7-70173.6-179.1177.50111.6T422 Q423 Y424 Q429 M430T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.23Å; T422-K426 VanDerWaalsContact O-N 3.1Å; Q423-K426 PolarHBondContact O-N 3.22Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 2.94Å; K426-Q429 PolarHBondContact O-N 3.14Å; K426-M430 PolarHBondContact O-N 2.92Å
427F77.6Confident75.1Confident79 Ų7972.1 Ų72.135%0.34637%0.369SS..Hα-helixtrans-66.6-46.6179-159.4-86.8000111.5F327 Q423 Y424 T425 Q429 M430 V431F327-F427 HydrophobicContact CD1-CD1 4.37Å; F327-F427 AromaticContact CE1-CD1 3.46Å; F327-F427 HydrophobicContact CE1-CD1 3.46Å; F327-F427 VanDerWaalsContact CE1-CD1 3.46Å; F327-F427 HydrophobicContact CE1-CE1 4.07Å; F327-F427 HydrophobicContact CE1-CG 4.47Å; F327-F427 HydrophobicContact CE2-CD1 4.11Å; F327-F427 AromaticContact CE2-CE1 3.88Å; F327-F427 HydrophobicContact CE2-CE1 3.88Å; F327-F427 AromaticContact CZ-CD1 3.3Å; F327-F427 HydrophobicContact CZ-CD1 3.3Å; F327-F427 AromaticContact CZ-CE1 3.39Å; F327-F427 HydrophobicContact CZ-CE1 3.39Å; Q423-F427 WeakPolarHBondContact O-CB 3.47Å; Q423-F427 PolarHBondContact O-N 3.49Å; Y424-F427 PolarHBondContact O-N 3.15Å; Y424-F427 VanDerWaalsContact O-N 3.13Å; T425-F427 VanDerWaalsContact C-N 3.35Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 3.41Å; F427-M430 WeakPolarHBondContact O-CB 3.32Å; F427-M430 PolarHBondContact O-N 2.97Å; F427-V431 HydrophobicContact CD1-CG2 3.76Å; F427-V431 HydrophobicContact CE1-CG2 3.66Å; F427-V431 WeakPolarHBondContact O-CG2 3.47Å; F427-V431 PolarHBondContact O-N 3.06Å
428A77Confident72.6Confident23 Ų2378.8 Ų78.819%0.1940%0.398CS..Hα-helixtrans-58.3-39.3174.500000112.1F327 Y424 V431 K432F327-A428 HydrophobicContact CD1-CB 3.96Å; Y424-A428 WeakPolarHBondContact O-CB 3.29Å; Y424-A428 PolarHBondContact O-N 2.69Å; A428-V431 PolarHBondContact O-N 3.39Å; A428-K432 VanDerWaalsContact O-CB 3.25Å; A428-K432 WeakPolarHBondContact O-CB 3.18Å; A428-K432 PolarHBondContact O-N 3.34Å
429Q78.5Confident70.3Confident117 Ų11777.2 Ų77.255%0.54741%0.409SS..Hα-helixtrans-64.3-40.4173.6-75.1174.94.400112.6T425 K426 F427 K433T425-Q429 VanDerWaalsContact O-CG 3.27Å; T425-Q429 WeakPolarHBondContact O-CG 3.44Å; T425-Q429 PolarHBondContact O-N 3.24Å; K426-Q429 PolarHBondContact O-N 3.14Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 3.41Å; Q429-K433 WeakPolarHBondContact O-CG 3.44Å; Q429-K433 PolarHBondContact O-N 2.99Å
430M71.2Confident67.8Low127 Ų12779.3 Ų79.363%0.62642%0.423SS*.Hα-helixtrans-65.6-46.3176.3-170.8-177.1-66.100111.2K426 F427 K432 K433 M434K426-M430 PolarHBondContact O-N 2.92Å; F427-M430 WeakPolarHBondContact O-CB 3.32Å; F427-M430 PolarHBondContact O-N 2.97Å; M430-K432 PolarHBondContact O-N 3.1Å; M430-K433 WeakPolarHBondContact O-CB 3.15Å; M430-K433 PolarHBondContact O-N 3.3Å; M430-M434 WeakPolarHBondContact O-CB 3.27Å; M430-M434 PolarHBondContact O-N 3.47Å
431V68.9Low65.3Low12 Ų1287.2 Ų87.27%0.07346%0.457CS..Hα-helixtrans-61.1-43.2176.31720000111.2L322 F327 F427 A428 K433 M434 G435L322-V431 HydrophobicContact CD2-CG1 3.36Å; F327-V431 HydrophobicContact CB-CB 4.48Å; F327-V431 HydrophobicContact CB-CG1 4.04Å; F327-V431 HydrophobicContact CD2-CB 4.33Å; F327-V431 HydrophobicContact CD2-CG1 3.93Å; F327-V431 HydrophobicContact CD2-CG2 4.02Å; F327-V431 HydrophobicContact CE2-CG2 4.14Å; F327-V431 HydrophobicContact CG-CB 4.31Å; F327-V431 HydrophobicContact CG-CG1 4.13Å; F327-V431 HydrophobicContact CG-CG2 4.3Å; F427-V431 HydrophobicContact CD1-CG2 3.76Å; F427-V431 HydrophobicContact CE1-CG2 3.66Å; F427-V431 WeakPolarHBondContact O-CG2 3.47Å; F427-V431 PolarHBondContact O-N 3.06Å; A428-V431 PolarHBondContact O-N 3.39Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 3.38Å; V431-M434 PolarHBondContact O-N 2.96Å; V431-M434 VanDerWaalsContact O-N 3.16Å; V431-G435 PolarHBondContact O-N 3.38Å
432K71.1Confident62.7Low155 Ų15594 Ų9467%0.67449%0.487SS*.Hα-helixtrans-62.3-39176-170.2174.2-176.2175.30112.4A428 M430 G436A428-K432 VanDerWaalsContact O-CB 3.25Å; A428-K432 WeakPolarHBondContact O-CB 3.18Å; A428-K432 PolarHBondContact O-N 3.34Å; M430-K432 PolarHBondContact O-N 3.1Å; K432-G436 PolarHBondContact O-N 2.86Å
433K67.8Low60.2Low151 Ų15193.7 Ų93.766%0.65750%0.498SS*.Hα-helixtrans-66.2-40.7172.9-75.3178.5178.6-177.90111.7Q429 M430 V431 G436 I437Q429-K433 WeakPolarHBondContact O-CG 3.44Å; Q429-K433 PolarHBondContact O-N 2.99Å; M430-K433 WeakPolarHBondContact O-CB 3.15Å; M430-K433 PolarHBondContact O-N 3.3Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 3.38Å; K433-G436 PolarHBondContact O-N 3.21Å; K433-I437 WeakPolarHBondContact O-CD1 3.43Å; K433-I437 VanDerWaalsContact O-CG1 3.26Å; K433-I437 WeakPolarHBondContact O-CG1 3.46Å; K433-I437 PolarHBondContact O-N 3.42Å
434M52.7Low57.9Low118 Ų11894.6 Ų94.658%0.58153%0.527SS*.Hα-helixtrans-72.1-38-179.6-162.9168.979.300112.9M430 V431 G436 I437 K438M430-M434 WeakPolarHBondContact O-CB 3.27Å; M430-M434 PolarHBondContact O-N 3.47Å; V431-M434 PolarHBondContact O-N 2.96Å; V431-M434 VanDerWaalsContact O-N 3.16Å; M434-G436 VanDerWaalsContact C-N 3.3Å; M434-G436 PolarHBondContact O-N 3.13Å; M434-I437 PolarHBondContact O-N 2.74Å; M434-I437 VanDerWaalsContact O-N 3.09Å; M434-K438 PolarHBondContact O-N 2.76Å
435G54Low55.4Low27 Ų2799.6 Ų99.628%0.27855%0.554SS.*Hα-helixtrans-63.8-34.217200000112.6V431 I437V431-G435 PolarHBondContact O-N 3.38Å; G435-I437 VanDerWaalsContact C-N 3.33Å
436G46.6Very low53.1Low51 Ų51105.8 Ų105.853%0.52658%0.582SS.*Hα-helixtrans-68.4-28.9170.100000114K432 K433 M434K432-G436 PolarHBondContact O-N 2.86Å; K433-G436 PolarHBondContact O-N 3.21Å; M434-G436 VanDerWaalsContact C-N 3.3Å; M434-G436 PolarHBondContact O-N 3.13Å
437I40.4Very low51.1Low98 Ų98103.8 Ų103.850%0.50359%0.585SS.*Hα-helixtrans-81.9-33.9179.8-68.7162.9000111.6K433 M434 G435 G439 L440 F441K433-I437 WeakPolarHBondContact O-CD1 3.43Å; K433-I437 VanDerWaalsContact O-CG1 3.26Å; K433-I437 WeakPolarHBondContact O-CG1 3.46Å; K433-I437 PolarHBondContact O-N 3.42Å; M434-I437 PolarHBondContact O-N 2.74Å; M434-I437 VanDerWaalsContact O-N 3.09Å; G435-I437 VanDerWaalsContact C-N 3.33Å; I437-G439 VanDerWaalsContact C-N 3.27Å; I437-G439 PolarHBondContact O-N 2.96Å; I437-L440 WeakPolarHBondContact O-CB 3.17Å; I437-L440 PolarHBondContact O-N 2.85Å; I437-F441 HydrophobicContact CG2-CD2 4.2Å; I437-F441 HydrophobicContact CG2-CE2 4.43Å; I437-F441 WeakPolarHBondContact O-CD2 3.44Å
438K39.5Very low49.3Very low140 Ų140107.8 Ų107.861%0.60960%0.602SS**Hα-helixtrans-72.4-18176.8-120.5179.8-176.4176.20113.8M434 L440 F441 K442M434-K438 PolarHBondContact O-N 2.76Å; K438-L440 PolarHBondContact O-N 3.31Å; K438-F441 PolarHBondContact O-N 2.7Å; K438-K442 PolarHBondContact O-N 3.49Å
439G40Very low47.8Very low70 Ų70114.5 Ų114.572%0.72264%0.635SS**THydrogen-bonded Turntrans-63.3-17.9164.700000113.8I437I437-G439 VanDerWaalsContact C-N 3.27Å; I437-G439 PolarHBondContact O-N 2.96Å
440L37.8Very low46.3Very low138 Ų138112.9 Ų112.972%0.72363%0.633SS**THydrogen-bonded Turntrans-89.6-13.6168.9-93100.4000113.9I437 K438I437-L440 WeakPolarHBondContact O-CB 3.17Å; I437-L440 PolarHBondContact O-N 2.85Å; K438-L440 PolarHBondContact O-N 3.31Å
441F35.7Very low45.4Very low167 Ų167111.6 Ų111.673%0.73263%0.628SS**THydrogen-bonded Turntrans-128.112.2-164.6-78.4-76.2000115.9I437 K438I437-F441 HydrophobicContact CG2-CD2 4.2Å; I437-F441 HydrophobicContact CG2-CE2 4.43Å; I437-F441 WeakPolarHBondContact O-CD2 3.44Å; K438-F441 PolarHBondContact O-N 2.7Å
442K34.6Very low44.7Very low159 Ų159116.1 Ų116.169%0.69166%0.658SS**SBendtrans-133.1103.9169.9-132.6-174.7-176.3-172.60112K438K438-K442 PolarHBondContact O-N 3.49Å
443G33.9Very low44.2Very low66 Ų66112.5 Ų112.568%0.6865%0.652SS**  trans146.6101.1171.600000109.7D445G443-D445 PolarHBondContact O-N 2.85Å
444G36Very low43.7Very low94 Ų94111.7 Ų111.797%0.96965%0.65SS**SBendtrans-68.258.8-175.700000114.6
445D33.4Very low43.6Very low110 Ų110109.4 Ų109.459%0.58864%0.639SS**  trans-134.359.6173.8-143.4-7.2000110.2G443 S447G443-D445 PolarHBondContact O-N 2.85Å; D445-S447 PolarHBondContact O-N 3.28Å
446M35.1Very low44Very low184 Ų184110.8 Ų110.891%0.90665%0.648SS**THydrogen-bonded Turntrans-73.928.5167.8-99.1-103.5-80.100112
447S40.6Very low44.9Very low94 Ų94115.6 Ų115.666%0.65765%0.654SS**THydrogen-bonded Turntrans-121.9-16.1-176-178.70000114.8D445D445-S447 PolarHBondContact O-N 3.28Å
448K41.1Very low45.6Very low162 Ų162115.1 Ų115.170%0.70465%0.652SS**SBendtrans-138.8116.4-175.1-68.4-177.7-178.7172.60111
449N43.9Very low46.4Very low165 Ų165109.9 Ų109.988%0.88263%0.631SS**  trans82.351173.6-62-9.9000118.2
450V48.3Very low47.7Very low83 Ų83112.7 Ų112.750%0.50363%0.625SS.*  trans-83.2116.6155.5-166.90000109M455V450-M455 HydrophobicContact CB-CG 4.43Å; V450-M455 HydrophobicContact CG1-CG 3.37Å; V450-M455 HydrophobicContact CG1-SD 4.31Å
451N52.8Low48.9Very low100 Ų100112.1 Ų112.154%0.53562%0.619SS.*  trans-65.8126.1178.9-137.1-10.4000109.4S453 Q454 M455N451-S453 PolarHBondContact O-N 3.35Å; N451-Q454 PolarHBondContact O-N 3.28Å; N451-M455 PolarHBondContact O-N 3.1Å
452P52.9Low49.6Very low106 Ų106109 Ų10969%0.68861%0.608SS**Hα-helixtrans-56.7-28.9-172.2-26.833.7000114.3A456P452-A456 PolarHBondContact O-N 2.95Å
453S62.1Low50.7Low79 Ų79102.6 Ų102.655%0.55259%0.585SS**Hα-helixtrans-73.3-28.6178.956.30000113.9N451 K457N451-S453 PolarHBondContact O-N 3.35Å; S453-K457 PolarHBondContact O-N 2.71Å
454Q56.1Low52.2Low134 Ų134108 Ų10863%0.62659%0.589SS**Hα-helixtrans-77.5-36.4176.3-90.6176.3-22.900111.8N451 A456 K457 L458N451-Q454 PolarHBondContact O-N 3.28Å; Q454-A456 VanDerWaalsContact C-N 3.34Å; Q454-K457 PolarHBondContact O-N 2.98Å; Q454-L458 WeakPolarHBondContact O-CB 3.44Å; Q454-L458 PolarHBondContact O-N 3.23Å
455M49.8Very low53.1Low70 Ų70111.5 Ų111.535%0.34558%0.583SS.*Hα-helixtrans-64.9-37.4172.6-85.4-73.4-84.800112.3V450 N451 K457 L458 N459 M484V450-M455 HydrophobicContact CB-CG 4.43Å; V450-M455 HydrophobicContact CG1-CG 3.37Å; V450-M455 HydrophobicContact CG1-SD 4.31Å; N451-M455 PolarHBondContact O-N 3.1Å; M455-K457 PolarHBondContact O-N 3.26Å; M455-L458 PolarHBondContact O-N 2.8Å; M455-L458 HydrophobicContact SD-CD2 4.4Å; M455-N459 WeakPolarHBondContact O-CB 3.33Å; M455-N459 PolarHBondContact O-N 3.17Å; M455-M484 HydrophobicContact CE-SD 4.42Å
456A63.3Low54.1Low56 Ų56109.2 Ų109.246%0.46357%0.569SS.*Hα-helixtrans-63.3-41.2175.200000112.2P452 Q454 Q460P452-A456 PolarHBondContact O-N 2.95Å; Q454-A456 VanDerWaalsContact C-N 3.34Å; A456-Q460 PolarHBondContact O-N 3.17Å
457K65.8Low55.3Low152 Ų152104.9 Ų104.966%0.66155%0.549SS*.Hα-helixtrans-67.8-39.6175.2-89.2-177.3175.5177.30112.7S453 Q454 M455 Q460 Q461S453-K457 PolarHBondContact O-N 2.71Å; Q454-K457 PolarHBondContact O-N 2.98Å; M455-K457 PolarHBondContact O-N 3.26Å; K457-Q460 PolarHBondContact O-N 3.26Å; K457-Q461 PolarHBondContact O-N 3.1Å
458L54.1Low56Low88 Ų88105.1 Ų105.146%0.46155%0.549SS..Hα-helixtrans-64.6-43.8177.3-166.174.2000111Q454 M455 Q460 Q461 M462Q454-L458 WeakPolarHBondContact O-CB 3.44Å; Q454-L458 PolarHBondContact O-N 3.23Å; M455-L458 PolarHBondContact O-N 2.8Å; M455-L458 HydrophobicContact SD-CD2 4.4Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 2.95Å; L458-Q461 PolarHBondContact O-N 3.34Å; L458-M462 PolarHBondContact O-N 3.37Å
459N57.8Low57.1Low31 Ų31107.5 Ų107.517%0.16655%0.553CS.*Hα-helixtrans-64.1-37.2175-87.70.9000112.7M455 M462 A463 M484M455-N459 WeakPolarHBondContact O-CB 3.33Å; M455-N459 PolarHBondContact O-N 3.17Å; N459-M462 PolarHBondContact O-N 3.25Å; N459-A463 WeakPolarHBondContact O-CB 3.45Å; N459-A463 PolarHBondContact O-N 3.36Å; N459-M484 WeakPolarHBondContact OD1-CE 3.31Å
460Q65.9Low58Low128 Ų128102.8 Ų102.860%0.59853%0.531SS*.Hα-helixtrans-66.9-35.8174.1-103.3-176.1-5.900113.1A456 K457 L458 K464A456-Q460 PolarHBondContact O-N 3.17Å; K457-Q460 PolarHBondContact O-N 3.26Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 2.95Å; Q460-K464 WeakPolarHBondContact O-CG 3.48Å; Q460-K464 PolarHBondContact O-N 3.11Å
461Q62.8Low58.6Low127 Ų127100.8 Ų100.859%0.59352%0.517SS*.Hα-helixtrans-73.2-39.1175.6-83-176.7-36.700112K457 L458 K464 M465K457-Q461 PolarHBondContact O-N 3.1Å; L458-Q461 PolarHBondContact O-N 3.34Å; Q461-K464 PolarHBondContact O-N 3.04Å; Q461-M465 PolarHBondContact O-N 3.4Å
462M50.9Low59.1Low101 Ų101103.9 Ų103.950%0.49853%0.528SS..Hα-helixtrans-62.2-43.4174.2-112.5-178.716300111.8L458 N459 K464 M465 M466 M484L458-M462 PolarHBondContact O-N 3.37Å; N459-M462 PolarHBondContact O-N 3.25Å; M462-K464 PolarHBondContact O-N 3.39Å; M462-M465 PolarHBondContact O-N 3.1Å; M462-M465 VanDerWaalsContact O-N 3.11Å; M462-M466 PolarHBondContact O-N 3.03Å; M462-M466 VanDerWaalsContact O-N 3.17Å; M462-M484 HydrophobicContact SD-CE 4.41Å
463A57.8Low59.6Low24 Ų24107.1 Ų107.120%0.19853%0.533CS..Hα-helixtrans-62.9-27176.900000113.2N459 M477N459-A463 WeakPolarHBondContact O-CB 3.45Å; N459-A463 PolarHBondContact O-N 3.36Å; A463-M477 HydrophobicContact CB-SD 3.77Å
464K65.3Low59.3Low179 Ų179106 Ų10678%0.77852%0.52SS*.Hα-helixtrans-83.3-19.6176-75.1-178.8178.7-175.50113.9Q460 Q461 M462Q460-K464 WeakPolarHBondContact O-CG 3.48Å; Q460-K464 PolarHBondContact O-N 3.11Å; Q461-K464 PolarHBondContact O-N 3.04Å; M462-K464 PolarHBondContact O-N 3.39Å
465M55.9Low59.9Low169 Ų169101.8 Ų101.883%0.83351%0.513SS*.Hα-helixtrans-94.1-13.3178.2-74.5-173.3176.300113.3Q461 M462Q461-M465 PolarHBondContact O-N 3.4Å; M462-M465 PolarHBondContact O-N 3.1Å; M462-M465 VanDerWaalsContact O-N 3.11Å
466M54.2Low60.9Low62 Ų6299.6 Ų99.631%0.30551%0.508SS..SBendtrans-88.2137.2175.6-69.9-1728200111.3M462 V470 L471 M474 L480M462-M466 PolarHBondContact O-N 3.03Å; M462-M466 VanDerWaalsContact O-N 3.17Å; M466-V470 HydrophobicContact CE-CG1 3.76Å; M466-L471 HydrophobicContact CB-CD1 4.3Å; M466-M474 HydrophobicContact CE-SD 3.79Å; M466-L480 HydrophobicContact SD-CD1 4.04Å
467D59.1Low60.5Low92 Ų92101.4 Ų101.449%0.49251%0.508SS..  trans-57130.9176.3-170.1-50.6000110.3R469 V470 L471D467-R469 PolarHBondContact O-N 2.69Å; D467-R469 PolarHBondContact OD1-N 3.38Å; D467-V470 HydrophobicContact CB-CB 4.45Å; D467-V470 HydrophobicContact CB-CG2 4.03Å; D467-V470 WeakPolarHBondContact O-CB 3.03Å; D467-V470 PolarHBondContact O-N 3.15Å; D467-L471 PolarHBondContact O-N 2.88Å; D467-L471 VanDerWaalsContact O-N 3.11Å
468P56.9Low60.3Low100 Ų10098.3 Ų98.365%0.64951%0.505SS*.Hα-helixtrans-53.4-29.1-178.3-26.433000114.3H472P468-H472 PolarHBondContact O-N 2.94Å
469R63.5Low60.9Low211 Ų21194.7 Ų94.780%0.79649%0.49SS*.Hα-helixtrans-73.3-36.5178.4-65.4-179.4-179.5-179.91.2112.3D467 H472 H473D467-R469 PolarHBondContact O-N 2.69Å; D467-R469 PolarHBondContact OD1-N 3.38Å; R469-H472 PolarHBondContact O-N 3.49Å; R469-H473 WeakPolarHBondContact O-CB 3.23Å; R469-H473 PolarHBondContact O-N 3.47Å; R469-H473 VanDerWaalsContact O-N 3.09Å
470V63.5Low61Low67 Ų6794.2 Ų94.241%0.40649%0.487SS..Hα-helixtrans-69.4-39.7175.9179.30000110M466 D467 H472 H473 M474M466-V470 HydrophobicContact CE-CG1 3.76Å; D467-V470 HydrophobicContact CB-CB 4.45Å; D467-V470 HydrophobicContact CB-CG2 4.03Å; D467-V470 WeakPolarHBondContact O-CB 3.03Å; D467-V470 PolarHBondContact O-N 3.15Å; V470-H472 VanDerWaalsContact C-N 3.31Å; V470-H472 PolarHBondContact O-N 3.31Å; V470-H473 PolarHBondContact O-N 3.21Å; V470-M474 HydrophobicContact CG1-SD 3.95Å; V470-M474 WeakPolarHBondContact O-CB 3.41Å; V470-M474 WeakPolarHBondContact O-CG 3.33Å; V470-M474 PolarHBondContact O-N 3.33Å
471L59.5Low60.6Low40 Ų4093.8 Ų93.821%0.20949%0.485CS..Hα-helixtrans-61.8-39.3176.4-151.390.1000111.9M466 D467 M474 G475 G476M466-L471 HydrophobicContact CB-CD1 4.3Å; D467-L471 PolarHBondContact O-N 2.88Å; D467-L471 VanDerWaalsContact O-N 3.11Å; L471-M474 PolarHBondContact O-N 3.22Å; L471-G475 PolarHBondContact O-N 2.66Å; L471-G476 WeakPolarHBondContact O-CA 3.34Å; L471-G476 PolarHBondContact O-N 3.27Å
472H64.3Low60.7Low165 Ų16591 Ų9176%0.76448%0.48SS*.Hα-helixtrans-68.9-39.7176.3-122.8-63.4000112.4P468 R469 V470 M474 G475P468-H472 PolarHBondContact O-N 2.94Å; R469-H472 PolarHBondContact O-N 3.49Å; V470-H472 VanDerWaalsContact C-N 3.31Å; V470-H472 PolarHBondContact O-N 3.31Å; H472-M474 PolarHBondContact O-N 3.49Å; H472-G475 PolarHBondContact O-N 3.19Å
473H62.8Low61.1Low174 Ų17490.6 Ų90.681%0.80648%0.478SS*.Hα-helixtrans-70.7-22178.8-143.4-68.1000113R469 V470R469-H473 WeakPolarHBondContact O-CB 3.23Å; R469-H473 PolarHBondContact O-N 3.47Å; R469-H473 VanDerWaalsContact O-N 3.09Å; V470-H473 PolarHBondContact O-N 3.21Å
474M55.4Low61Low56 Ų5692.6 Ų92.628%0.27648%0.483SS..THydrogen-bonded Turntrans-91.96.9174.7-71.4178.377.500113.7M466 V470 L471 H472 G479 L480 M483M466-M474 HydrophobicContact CE-SD 3.79Å; V470-M474 HydrophobicContact CG1-SD 3.95Å; V470-M474 WeakPolarHBondContact O-CB 3.41Å; V470-M474 WeakPolarHBondContact O-CG 3.33Å; V470-M474 PolarHBondContact O-N 3.33Å; L471-M474 PolarHBondContact O-N 3.22Å; H472-M474 PolarHBondContact O-N 3.49Å; M474-G479 VanDerWaalsContact O-CA 3.28Å; M474-G479 WeakPolarHBondContact O-CA 3.48Å; M474-L480 HydrophobicContact CE-CD1 3.99Å; M474-M483 HydrophobicContact CE-CE 3.43Å; M474-M483 VanDerWaalsContact CE-CE 3.43Å; M474-M483 HydrophobicContact CE-SD 3.41Å; M474-M483 WeakPolarHBondContact CE-SD 3.41Å
475G70.2Confident60.8Low46 Ų4692.3 Ų92.347%0.47448%0.478SS..THydrogen-bonded Turntrans81.323.5177.800000114.8L471 H472 S478 G479L471-G475 PolarHBondContact O-N 2.66Å; H472-G475 PolarHBondContact O-N 3.19Å; G475-S478 PolarHBondContact O-OG 2.82Å; G475-S478 VanDerWaalsContact O-OG 3.06Å; G475-G479 PolarHBondContact O-N 3.31Å
476G69.5Low60.9Low23 Ų2391.2 Ų91.224%0.23747%0.47CS..Hα-helixtrans69.5-161.6178.300000113.7L471 S478 G479 L480L471-G476 WeakPolarHBondContact O-CA 3.34Å; L471-G476 PolarHBondContact O-N 3.27Å; G476-S478 PolarHBondContact O-N 3.01Å; G476-G479 PolarHBondContact O-N 3.46Å; G476-G479 VanDerWaalsContact O-N 3.13Å; G476-L480 PolarHBondContact O-N 3.25Å
477M55Low60.6Low94 Ų9496.1 Ų96.146%0.46349%0.49SS..Hα-helixtrans-60.3-28.3-177.4-78.6-63.2-63.500113.7A463 Q481A463-M477 HydrophobicContact CB-SD 3.77Å; M477-Q481 WeakPolarHBondContact O-CB 3.38Å; M477-Q481 PolarHBondContact O-N 2.9Å
478S61.1Low60.1Low87 Ų8798.6 Ų98.661%0.60850%0.499SS*.Hα-helixtrans-72.6-37176.649.40000112.5G475 G476 Q481 S482G475-S478 PolarHBondContact O-OG 2.82Å; G475-S478 VanDerWaalsContact O-OG 3.06Å; G476-S478 PolarHBondContact O-N 3.01Å; S478-Q481 PolarHBondContact O-N 2.84Å; S478-S482 PolarHBondContact O-N 3.2Å
479G67.3Low59.7Low13 Ų13101 Ų10113%0.13450%0.502CS..Hα-helixtrans-74.7-29.8177.200000114.1M474 G475 G476 Q481 S482 M483M474-G479 VanDerWaalsContact O-CA 3.28Å; M474-G479 WeakPolarHBondContact O-CA 3.48Å; G475-G479 PolarHBondContact O-N 3.31Å; G476-G479 PolarHBondContact O-N 3.46Å; G476-G479 VanDerWaalsContact O-N 3.13Å; G479-Q481 VanDerWaalsContact C-N 3.29Å; G479-Q481 PolarHBondContact O-N 3.42Å; G479-S482 WeakPolarHBondContact CA-OG 3.25Å; G479-S482 PolarHBondContact O-OG 3.49Å; G479-M483 WeakPolarHBondContact O-CB 3.23Å; G479-M483 PolarHBondContact O-N 3.08Å
480L60.6Low58.6Low20 Ų2093.2 Ų93.211%0.10549%0.487CS..Hα-helixtrans-65.3-36.4168.4-15783.5000111.3M466 M474 G476 M484M466-L480 HydrophobicContact SD-CD1 4.04Å; M474-L480 HydrophobicContact CE-CD1 3.99Å; G476-L480 PolarHBondContact O-N 3.25Å; L480-M484 PolarHBondContact O-N 2.9Å
481Q57.4Low57.5Low119 Ų11993.5 Ų93.556%0.55650%0.496SS*.Hα-helixtrans-75-34.6-179.3-161.5170.412.600112.7M477 S478 G479 R485M477-Q481 WeakPolarHBondContact O-CB 3.38Å; M477-Q481 PolarHBondContact O-N 2.9Å; S478-Q481 PolarHBondContact O-N 2.84Å; G479-Q481 VanDerWaalsContact C-N 3.29Å; G479-Q481 PolarHBondContact O-N 3.42Å; Q481-R485 PolarHBondContact O-N 3.2Å; Q481-R485 VanDerWaalsContact O-N 3.16Å
482S64.8Low56.6Low69 Ų6994.9 Ų94.948%0.48351%0.514SS..Hα-helixtrans-69.2-40.2171.661.60000111.7S478 G479 R485 Q486S478-S482 PolarHBondContact O-N 3.2Å; G479-S482 WeakPolarHBondContact CA-OG 3.25Å; G479-S482 PolarHBondContact O-OG 3.49Å; S482-R485 PolarHBondContact O-N 3.09Å; S482-Q486 PolarHBondContact O-N 3.49Å
483M59.1Low55.4Low93 Ų9389.5 Ų89.546%0.45850%0.502SS..Hα-helixtrans-63.4-42.7175.2-174.2179-77.700112M474 G479 R485 Q486 F487M474-M483 HydrophobicContact CE-CE 3.43Å; M474-M483 VanDerWaalsContact CE-CE 3.43Å; M474-M483 HydrophobicContact CE-SD 3.41Å; M474-M483 WeakPolarHBondContact CE-SD 3.41Å; G479-M483 WeakPolarHBondContact O-CB 3.23Å; G479-M483 PolarHBondContact O-N 3.08Å; M483-R485 PolarHBondContact O-N 3.36Å; M483-Q486 PolarHBondContact O-N 2.98Å; M483-F487 PolarHBondContact O-N 2.94Å
484M55.2Low54.2Low65 Ų6587.9 Ų87.932%0.3250%0.5SS..Hα-helixtrans-62.2-41174.7-92.7-159178.900112.5M455 N459 M462 L480 Q486 F487 Q488M455-M484 HydrophobicContact CE-SD 4.42Å; N459-M484 WeakPolarHBondContact OD1-CE 3.31Å; M462-M484 HydrophobicContact SD-CE 4.41Å; L480-M484 PolarHBondContact O-N 2.9Å; M484-Q486 VanDerWaalsContact C-N 3.29Å; M484-Q486 PolarHBondContact O-N 2.98Å; M484-F487 PolarHBondContact O-N 3.44Å; M484-Q488 WeakPolarHBondContact O-CB 3.39Å; M484-Q488 PolarHBondContact O-N 3.27Å
485R61Low53.3Low173 Ų17388.7 Ų88.765%0.65352%0.515SS*.Hα-helixtrans-61.4-39.6174.8-84.6-176.3175178.7-0.3111.9Q481 S482 M483 Q488 Q489Q481-R485 PolarHBondContact O-N 3.2Å; Q481-R485 VanDerWaalsContact O-N 3.16Å; S482-R485 PolarHBondContact O-N 3.09Å; M483-R485 PolarHBondContact O-N 3.36Å; R485-Q488 PolarHBondContact O-N 3.5Å; R485-Q489 PolarHBondContact O-N 3.26Å
486Q58.6Low51.7Low146 Ų14695.7 Ų95.768%0.68253%0.532SS*.Hα-helixtrans-69.6-36.8179.1-155.8173.312.600111.8S482 M483 M484 Q489 G490S482-Q486 PolarHBondContact O-N 3.49Å; M483-Q486 PolarHBondContact O-N 2.98Å; M484-Q486 VanDerWaalsContact C-N 3.29Å; M484-Q486 PolarHBondContact O-N 2.98Å; Q486-Q489 PolarHBondContact O-N 3.26Å; Q486-G490 PolarHBondContact O-N 2.91Å
487F47.9Very low50Low166 Ų16697.5 Ų97.573%0.72855%0.551SS**Hα-helixtrans-66.3-39.2173.3-128.5-88.2000112.2M483 M484 G490 A491M483-F487 PolarHBondContact O-N 2.94Å; M484-F487 PolarHBondContact O-N 3.44Å; F487-G490 PolarHBondContact O-N 3.42Å; F487-A491 PolarHBondContact O-N 3.23Å; F487-A491 VanDerWaalsContact O-N 3.15Å
488Q48.3Very low49.1Very low144 Ų144101.6 Ų101.667%0.67357%0.571SS**Hα-helixtrans-67.1-37176.7-128.2174.96.300112.2M484 R485M484-Q488 WeakPolarHBondContact O-CB 3.39Å; M484-Q488 PolarHBondContact O-N 3.27Å; R485-Q488 PolarHBondContact O-N 3.5Å
489Q49.3Very low48Very low150 Ų150106 Ų10670%0.70159%0.585SS**Hα-helixtrans-75.1-36.2175.5-75.6179.1-5.600112.7R485 Q486 A491 A492 G493R485-Q489 PolarHBondContact O-N 3.26Å; Q486-Q489 PolarHBondContact O-N 3.26Å; Q489-A491 PolarHBondContact O-N 3.47Å; Q489-A492 PolarHBondContact O-N 3.38Å; Q489-G493 PolarHBondContact O-N 3.05Å
490G39.3Very low46.5Very low47 Ų47108.3 Ų108.349%0.48561%0.608SS.*Hα-helixtrans-66.3-34.2177.200000113.7Q486 F487Q486-G490 PolarHBondContact O-N 2.91Å; F487-G490 PolarHBondContact O-N 3.42Å
491A41Very low45.5Very low73 Ų73117.1 Ų117.160%0.60365%0.646SS**Hα-helixtrans-70.3-28.7175.800000113.4F487 Q489F487-A491 PolarHBondContact O-N 3.23Å; F487-A491 VanDerWaalsContact O-N 3.15Å; Q489-A491 PolarHBondContact O-N 3.47Å
492A41.4Very low44.4Very low70 Ų70119.1 Ų119.158%0.57966%0.661SS**Hα-helixtrans-79.1-27.3177.900000113.3Q489Q489-A492 PolarHBondContact O-N 3.38Å
493G38Very low43Very low51 Ų51123.6 Ų123.653%0.52668%0.679SS.*Hα-helixtrans-73-36.9179.900000114.1Q489 A495Q489-G493 PolarHBondContact O-N 3.05Å; G493-A495 VanDerWaalsContact C-N 3.34Å; G493-A495 PolarHBondContact O-N 3.48Å
494N38.2Very low41.8Very low141 Ų141132.2 Ų132.275%0.75472%0.721SS**THydrogen-bonded Turntrans-76.5-16-177-99.63.3000114.5
495A35.8Very low41.2Very low72 Ų72135.6 Ų135.660%0.59574%0.741SS**THydrogen-bonded Turntrans-77.9-21177.700000113.6G493G493-A495 VanDerWaalsContact C-N 3.34Å; G493-A495 PolarHBondContact O-N 3.48Å
496K36.5Very low40.1Very low193 Ų193133.6 Ų133.684%0.83975%0.746SS**THydrogen-bonded Turntrans-86.3-20.6178.8-99.9-174.7174.7-1770114.4
497G34.8Very low39.1Very low61 Ų61132.9 Ų132.963%0.62975%0.75SS**SBendtrans-79.4-19.4-178.300000115
498M35.9Very low38.6Very low180 Ų180130.9 Ų130.989%0.88775%0.751SS**SBendtrans-98.7-0.5-174.3-96.8-169.5166.800115.4
499M37Very low38Very low180 Ų180130.1 Ų130.189%0.88776%0.756SS**SBendtrans-986.8176.6-82.2-164.5174.700114.6
500G37Very low37.2Very low61 Ų61128.8 Ų128.863%0.62976%0.759SS**SBendtrans-97.9-4.2-172.200000117.6
501F37.9Very low37.1Very low206 Ų206134.6 Ų134.690%0.90478%0.779SS**SBendtrans-120.854-173.7-88.1-80.5000112.8
502N35Very low36.8Very low161 Ų161139.4 Ų139.486%0.86179%0.793SS**SBendtrans-149.545.7167.5-130.321.5000112.6
503N36.5Very low36.4Very low163 Ų163145.2 Ų145.287%0.87281%0.811SS**  trans-158.983.5161.2-111.90.4000109.8
504M34.2Very low36.2Very low273 Ų273153.7 Ų153.7100%1.34584%0.836SS**  trans-1710143.5-102.2-179.4-155.700109.2

Retrieved 504 of 504 residues in 428.2 ms (Link to these results)

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