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Signal recognition particle subunit SRP54

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

AlphaFold DB , UniProt , Accession Q4R965, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SRP54, Length 504 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.6Very low70.6Confident110 Ų11048.5 Ų48.554%0.54225%0.245SC..  0116.60-87.217190.800108L3 A4 D5 L250 D251M1-L3 PolarHBondContact O-N 3.24Å; M1-L3 VanDerWaalsContact O-N 3.16Å; M1-A4 HydrophobicContact CB-CB 4.37Å; M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.5Å; M1-D5 PolarHBondContact O-N 3.4Å; M1-L250 WeakPolarHBondContact CE-O 3.3Å; M1-D251 WeakPolarHBondContact CG-O 3.47Å
2V52.2Low71.8Confident36 Ų3650.3 Ų50.322%0.21827%0.265CS..Hα-helixtrans-56.6-28.7-178.5168.20000112.1D5 L6 A254V2-D5 PolarHBondContact O-N 3.41Å; V2-L6 WeakPolarHBondContact O-CB 3.44Å; V2-L6 PolarHBondContact O-N 3.39Å; V2-A254 WeakPolarHBondContact CB-O 3.21Å; V2-A254 WeakPolarHBondContact CG1-O 3.39Å
3L62.6Low72.7Confident19 Ų1946.4 Ų46.410%0.09925%0.245CC..Hα-helixtrans-61.9-39.2169.9-73.3171.4000113.3M1 D5 G7 L250 F290 L294M1-L3 PolarHBondContact O-N 3.24Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-D5 VanDerWaalsContact C-N 3.3Å; L3-G7 PolarHBondContact O-N 3.2Å; L3-L250 HydrophobicContact CD1-CD2 4Å; L3-F290 HydrophobicContact CD1-CE2 4.34Å; L3-F290 HydrophobicContact CD1-CZ 4.08Å; L3-F290 HydrophobicContact CD2-CZ 4.15Å; L3-L294 HydrophobicContact CB-CD1 4.05Å; L3-L294 HydrophobicContact CD2-CD1 3.72Å; L3-L294 HydrophobicContact CG-CD1 4.49Å; L3-L294 VanDerWaalsContact O-CD1 3.31Å; L3-L294 WeakPolarHBondContact O-CD1 3.5Å
4A65.8Low73.3Confident42 Ų4243.7 Ų43.735%0.34723%0.231SC..Hα-helixtrans-69.7-32.1175.500000111.2M1 R8M1-A4 HydrophobicContact CB-CB 4.37Å; M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.5Å; A4-R8 WeakPolarHBondContact O-CB 3.36Å; A4-R8 VanDerWaalsContact O-CG 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.35Å; A4-R8 PolarHBondContact O-N 2.89Å
5D72Confident73.8Confident61 Ų6149.7 Ų49.733%0.32625%0.249SC..Hα-helixtrans-71.8-43.8176.3-61.6-22000111.4M1 V2 L3 G7 R8 K9M1-D5 PolarHBondContact O-N 3.4Å; V2-D5 PolarHBondContact O-N 3.41Å; L3-D5 VanDerWaalsContact C-N 3.3Å; D5-G7 VanDerWaalsContact C-N 3.33Å; D5-R8 PolarHBondContact O-N 2.87Å; D5-R8 IonicContact OD1-CZ 2.96Å; D5-R8 IonicContact OD1-NE 3.81Å; D5-R8 IonicContact OD1-NH2 3.84Å; D5-R8 PolarHBondContact OD1-NH2 3.35Å; D5-K9 WeakPolarHBondContact O-CG 3.41Å; D5-K9 PolarHBondContact O-N 3.27Å
6L76.2Confident74.2Confident9 Ų949.1 Ų49.15%0.04725%0.251CS..Hα-helixtrans-56.8-49170.3176.260.7000110.6V2 R8 K9 I10 A38 L39 A42 L294V2-L6 WeakPolarHBondContact O-CB 3.44Å; V2-L6 PolarHBondContact O-N 3.39Å; L6-R8 PolarHBondContact O-N 3.38Å; L6-K9 PolarHBondContact O-N 3.34Å; L6-I10 HydrophobicContact CD1-CD1 3.72Å; L6-I10 HydrophobicContact CD1-CG1 4.1Å; L6-I10 HydrophobicContact CG-CD1 3.86Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-A38 HydrophobicContact CD1-CB 3.87Å; L6-A38 WeakPolarHBondContact CD1-O 3.48Å; L6-L39 HydrophobicContact CD1-CD2 4.22Å; L6-L39 HydrophobicContact CD2-CD2 4.43Å; L6-A42 HydrophobicContact CB-CB 4.49Å; L6-A42 HydrophobicContact CD1-CB 4.05Å; L6-A42 HydrophobicContact CD2-CB 3.94Å; L6-A42 HydrophobicContact CG-CB 4.4Å; L6-L294 HydrophobicContact CD2-CD1 4.28Å; L6-L294 HydrophobicContact CD2-CD2 4.14Å
7G77.7Confident74.4Confident4 Ų446.2 Ų46.24%0.04124%0.236CC..Hα-helixtrans-54.8-52.2175.700000112.2L3 D5 K9 I10 T11 L294L3-G7 PolarHBondContact O-N 3.2Å; D5-G7 VanDerWaalsContact C-N 3.33Å; G7-K9 VanDerWaalsContact C-N 3.34Å; G7-K9 PolarHBondContact O-N 3.16Å; G7-I10 PolarHBondContact O-N 2.79Å; G7-T11 WeakPolarHBondContact O-CB 3.27Å; G7-T11 PolarHBondContact O-N 2.99Å; G7-T11 PolarHBondContact O-OG1 3.22Å; G7-L294 WeakPolarHBondContact CA-O 3.32Å
8R78.9Confident74.4Confident131 Ų13146.5 Ų46.549%0.49424%0.243SC..Hα-helixtrans-57.3-42.8176.8-75.9-172.1-60.4156.71.2112.9A4 D5 L6 S12A4-R8 WeakPolarHBondContact O-CB 3.36Å; A4-R8 VanDerWaalsContact O-CG 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.35Å; A4-R8 PolarHBondContact O-N 2.89Å; D5-R8 PolarHBondContact O-N 2.87Å; D5-R8 IonicContact OD1-CZ 2.96Å; D5-R8 IonicContact OD1-NE 3.81Å; D5-R8 IonicContact OD1-NH2 3.84Å; D5-R8 PolarHBondContact OD1-NH2 3.35Å; L6-R8 PolarHBondContact O-N 3.38Å; R8-S12 VanDerWaalsContact O-CB 3.25Å; R8-S12 WeakPolarHBondContact O-CB 3.32Å; R8-S12 PolarHBondContact O-N 3.19Å
9K82.4Confident74.5Confident93 Ų9351 Ų5140%0.40427%0.267SS..Hα-helixtrans-65.5-45.1178.1-74.5-177.3175.3-177.40111.8D5 L6 G7 S12 A13 A38 E41D5-K9 WeakPolarHBondContact O-CG 3.41Å; D5-K9 PolarHBondContact O-N 3.27Å; L6-K9 PolarHBondContact O-N 3.34Å; G7-K9 VanDerWaalsContact C-N 3.34Å; G7-K9 PolarHBondContact O-N 3.16Å; K9-S12 WeakPolarHBondContact O-CB 3.46Å; K9-S12 PolarHBondContact O-N 2.92Å; K9-A13 PolarHBondContact O-N 3.49Å; K9-A38 HydrophobicContact CB-CB 3.67Å; K9-A38 HydrophobicContact CD-CB 4.16Å; K9-E41 WeakPolarHBondContact CD-OE2 3.25Å; K9-E41 WeakPolarHBondContact CE-OE2 3.33Å; K9-E41 IonicContact NZ-OE1 2.92Å; K9-E41 PolarHBondContact NZ-OE1 3.49Å; K9-E41 IonicContact NZ-OE2 3.92Å; K9-E41 PolarHBondContact NZ-OE2 3.14Å
10I80.9Confident74.6Confident0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-66-45.8176.7-61.4170.3000110.4L6 G7 S12 A13 L14 V35 A38 L294 L295L6-I10 HydrophobicContact CD1-CD1 3.72Å; L6-I10 HydrophobicContact CD1-CG1 4.1Å; L6-I10 HydrophobicContact CG-CD1 3.86Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.43Å; G7-I10 PolarHBondContact O-N 2.79Å; I10-S12 VanDerWaalsContact C-N 3.27Å; I10-S12 PolarHBondContact O-N 3.29Å; I10-A13 WeakPolarHBondContact O-CB 3.32Å; I10-A13 PolarHBondContact O-N 3.01Å; I10-A13 VanDerWaalsContact O-N 3.14Å; I10-L14 HydrophobicContact CG2-CD1 4.05Å; I10-L14 HydrophobicContact CG2-CG 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.46Å; I10-L14 PolarHBondContact O-N 2.92Å; I10-V35 HydrophobicContact CG1-CG1 4.45Å; I10-V35 HydrophobicContact CG2-CG2 4.28Å; I10-A38 HydrophobicContact CG1-CB 4.32Å; I10-L294 HydrophobicContact CD1-CD2 4.46Å; I10-L295 HydrophobicContact CB-CD2 4.07Å; I10-L295 HydrophobicContact CD1-CD2 4.47Å; I10-L295 HydrophobicContact CG2-CD2 3.33Å
11T80.5Confident74.6Confident28 Ų2853.5 Ų53.517%0.17229%0.289CS..Hα-helixtrans-59.5-39175.7-54.10000111.1G7 L14 R15 L295G7-T11 WeakPolarHBondContact O-CB 3.27Å; G7-T11 PolarHBondContact O-N 2.99Å; G7-T11 PolarHBondContact O-OG1 3.22Å; T11-L14 PolarHBondContact O-N 3.21Å; T11-R15 HydrophobicContact CG2-CG 4.44Å; T11-R15 WeakPolarHBondContact O-CB 3.4Å; T11-R15 VanDerWaalsContact O-CG 3.23Å; T11-R15 WeakPolarHBondContact O-CG 3.44Å; T11-R15 PolarHBondContact O-N 3.29Å; T11-L295 PolarHBondContact OG1-O 2.66Å
12S84.3Confident76Confident70 Ų7054.6 Ų54.649%0.4930%0.296SS..Hα-helixtrans-62.7-45174.1-172.10000111.9R8 K9 I10 L14 R15 S16R8-S12 VanDerWaalsContact O-CB 3.25Å; R8-S12 WeakPolarHBondContact O-CB 3.32Å; R8-S12 PolarHBondContact O-N 3.19Å; K9-S12 WeakPolarHBondContact O-CB 3.46Å; K9-S12 PolarHBondContact O-N 2.92Å; I10-S12 VanDerWaalsContact C-N 3.27Å; I10-S12 PolarHBondContact O-N 3.29Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 3.17Å; S12-R15 CarbonylContact O-C 3.54Å; S12-R15 WeakPolarHBondContact O-CB 3.42Å; S12-R15 PolarHBondContact O-N 3.41Å; S12-S16 PolarHBondContact O-N 3.41Å
13A84.2Confident77.3Confident0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-63.7-38.9175.600000112K9 I10 R15 S16 M31 E34 V35K9-A13 PolarHBondContact O-N 3.49Å; I10-A13 WeakPolarHBondContact O-CB 3.32Å; I10-A13 PolarHBondContact O-N 3.01Å; I10-A13 VanDerWaalsContact O-N 3.14Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-S16 PolarHBondContact O-N 2.99Å; A13-S16 PolarHBondContact O-OG 2.98Å; A13-M31 HydrophobicContact CB-CG 4.28Å; A13-M31 WeakPolarHBondContact O-CG 2.87Å; A13-E34 WeakPolarHBondContact CA-OE2 3.47Å; A13-E34 HydrophobicContact CB-CB 3.72Å; A13-E34 WeakPolarHBondContact CB-OE2 3.34Å; A13-V35 HydrophobicContact CB-CG2 3.79Å
14L81.1Confident78.2Confident9 Ų955.8 Ų55.85%0.04730%0.301CS..Hα-helixtrans-71.2-29.2174.6-64.8178.7000112.3I10 T11 S12 L17 M31 Q76 L295I10-L14 HydrophobicContact CG2-CD1 4.05Å; I10-L14 HydrophobicContact CG2-CG 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.46Å; I10-L14 PolarHBondContact O-N 2.92Å; T11-L14 PolarHBondContact O-N 3.21Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 3.17Å; L14-L17 WeakPolarHBondContact O-CB 3.46Å; L14-M31 HydrophobicContact CD2-SD 4.08Å; L14-Q76 HydrophobicContact CD2-CG 4.11Å; L14-L295 HydrophobicContact CD1-CD1 4.5Å; L14-L295 HydrophobicContact CD1-CD2 4.29Å
15R79.8Confident79.1Confident133 Ų13359.4 Ų59.450%0.50231%0.31SS..Hα-helixtrans-72.4-33.1172.5-77.2175.8-172.91734.5111.7T11 S12 A13 L17 S18 N19 D358T11-R15 HydrophobicContact CG2-CG 4.44Å; T11-R15 WeakPolarHBondContact O-CB 3.4Å; T11-R15 VanDerWaalsContact O-CG 3.23Å; T11-R15 WeakPolarHBondContact O-CG 3.44Å; T11-R15 PolarHBondContact O-N 3.29Å; S12-R15 CarbonylContact O-C 3.54Å; S12-R15 WeakPolarHBondContact O-CB 3.42Å; S12-R15 PolarHBondContact O-N 3.41Å; A13-R15 VanDerWaalsContact C-N 3.33Å; R15-L17 VanDerWaalsContact C-N 3.25Å; R15-L17 PolarHBondContact O-N 3.23Å; R15-S18 WeakPolarHBondContact CA-OG 3.27Å; R15-S18 WeakPolarHBondContact O-CA 3.48Å; R15-S18 WeakPolarHBondContact O-CB 3.34Å; R15-S18 PolarHBondContact O-N 3.21Å; R15-S18 PolarHBondContact O-OG 2.89Å; R15-N19 PolarHBondContact O-N 3.28Å; R15-N19 VanDerWaalsContact O-N 3.11Å; R15-D358 IonicContact NH1-OD2 2.94Å; R15-D358 IonicContact NH2-OD2 3.71Å
16S80.4Confident79.8Confident41 Ų4163.3 Ų63.329%0.28733%0.327SS..Hα-helixtrans-61.9-36.517674.40000111.5S12 A13 S18 N19 A20S12-S16 PolarHBondContact O-N 3.41Å; A13-S16 PolarHBondContact O-N 2.99Å; A13-S16 PolarHBondContact O-OG 2.98Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 3.41Å; S16-N19 PolarHBondContact O-N 2.93Å; S16-A20 PolarHBondContact O-N 2.7Å
17L78.9Confident80.3Confident0 Ų064.8 Ų64.80%034%0.336CS..Hα-helixtrans-61.2-34.8169.7-166.982.5000112.9L14 R15 N19 I23 V27 R72 I75L14-L17 WeakPolarHBondContact O-CB 3.46Å; R15-L17 VanDerWaalsContact C-N 3.25Å; R15-L17 PolarHBondContact O-N 3.23Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-I23 HydrophobicContact CD1-CD1 4.18Å; L17-I23 HydrophobicContact CD1-CG1 4.13Å; L17-I23 HydrophobicContact CD1-CG2 4.1Å; L17-I23 HydrophobicContact CG-CD1 4.14Å; L17-I23 HydrophobicContact CG-CG1 4.46Å; L17-V27 HydrophobicContact CD1-CG1 4.04Å; L17-R72 HydrophobicContact CD2-CB 4.4Å; L17-R72 HydrophobicContact CD2-CG 4.41Å; L17-I75 HydrophobicContact CD1-CD1 4.04Å; L17-I75 HydrophobicContact CD2-CB 3.86Å; L17-I75 HydrophobicContact CD2-CD1 4.02Å; L17-I75 HydrophobicContact CD2-CG2 3.82Å
18S72.8Confident80.7Confident51 Ų5164.9 Ų64.936%0.35734%0.336SS..Hα-helixtrans-72.1-28.4178.273.90000113.1R15 S16R15-S18 WeakPolarHBondContact CA-OG 3.27Å; R15-S18 WeakPolarHBondContact O-CA 3.48Å; R15-S18 WeakPolarHBondContact O-CB 3.34Å; R15-S18 PolarHBondContact O-N 3.21Å; R15-S18 PolarHBondContact O-OG 2.89Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 3.41Å
19N77.2Confident81.1Confident132 Ų13260.3 Ų60.371%0.70632%0.321SS*.Hα-helixtrans-82.1-22.5178-67.6-15.8000113R15 S16 L17 T21R15-N19 PolarHBondContact O-N 3.28Å; R15-N19 VanDerWaalsContact O-N 3.11Å; S16-N19 PolarHBondContact O-N 2.93Å; L17-N19 VanDerWaalsContact C-N 3.34Å; N19-T21 PolarHBondContact O-N 2.86Å
20A77.1Confident81.5Confident21 Ų2158.3 Ų58.317%0.17432%0.322CS..  trans-70.5124.617800000111.4S16 V27 R72S16-A20 PolarHBondContact O-N 2.7Å; A20-V27 HydrophobicContact CB-CG1 3.88Å; A20-V27 HydrophobicContact CB-CG2 4.36Å; A20-R72 PolarHBondContact O-NH2 3.13Å
21T74.7Confident81.8Confident133 Ų13358.3 Ų58.382%0.81632%0.322SS*.SBendtrans-66.5-40.1178.7-45.20000111.9N19N19-T21 PolarHBondContact O-N 2.86Å
22I77.3Confident82.3Confident133 Ų13357 Ų5768%0.68231%0.314SS*.SBendtrans-123.2129.5177.8-59.3174000107.7
23I79.2Confident82.7Confident19 Ų1960.4 Ų60.410%0.09732%0.32CS..  trans-93.6103.1173.5-62167.1000107.4L17 L62 K71 R72 I75L17-I23 HydrophobicContact CD1-CD1 4.18Å; L17-I23 HydrophobicContact CD1-CG1 4.13Å; L17-I23 HydrophobicContact CD1-CG2 4.1Å; L17-I23 HydrophobicContact CG-CD1 4.14Å; L17-I23 HydrophobicContact CG-CG1 4.46Å; I23-L62 HydrophobicContact CG2-CD2 4.33Å; I23-K71 HydrophobicContact CD1-CB 3.89Å; I23-R72 HydrophobicContact CD1-CB 4.36Å; I23-R72 HydrophobicContact CD1-CG 3.39Å; I23-I75 HydrophobicContact CD1-CD1 4.37Å; I23-I75 HydrophobicContact CG2-CD1 3.72Å
24N81.2Confident82.9Confident61 Ų6164.6 Ų64.633%0.32634%0.339SS..  trans-104.9177.3169.969.1-3.1000110.3E26 V27 L28N24-E26 PolarHBondContact ND2-OE2 3.35Å; N24-E26 PolarHBondContact O-N 3.37Å; N24-E26 PolarHBondContact OD1-N 2.61Å; N24-V27 PolarHBondContact O-N 3.17Å; N24-V27 WeakPolarHBondContact OD1-CB 3.22Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.5Å; N24-V27 PolarHBondContact OD1-N 3.48Å; N24-L28 PolarHBondContact O-N 3.42Å; N24-L28 VanDerWaalsContact O-N 3.16Å
25E85.2Confident83.3Confident118 Ų11864.2 Ų64.255%0.55134%0.337SS*.Hα-helixtrans-62.6-33179.6-154.3-157.8141.400112.5L28 N29 L62E25-L28 PolarHBondContact O-N 2.9Å; E25-N29 VanDerWaalsContact O-CB 3.27Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 VanDerWaalsContact O-CG 3.32Å; E25-N29 PolarHBondContact O-N 2.88Å; E25-N29 PolarHBondContact O-ND2 3.29Å; E25-N29 PolarHBondContact OE1-ND2 2.78Å; E25-N29 VanDerWaalsContact OE1-ND2 3.13Å; E25-L62 HydrophobicContact CB-CD1 3.91Å; E25-L62 HydrophobicContact CG-CD1 4.12Å
26E86.2Confident83.7Confident144 Ų14458.5 Ų58.567%0.67332%0.317SS*.Hα-helixtrans-64.3-46.5178.5-6117715600111.8N24 N29 A30N24-E26 PolarHBondContact ND2-OE2 3.35Å; N24-E26 PolarHBondContact O-N 3.37Å; N24-E26 PolarHBondContact OD1-N 2.61Å; E26-N29 PolarHBondContact O-N 3.11Å; E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 2.93Å
27V86Confident84.2Confident40 Ų4059.6 Ų59.624%0.24232%0.323CS..Hα-helixtrans-63-42.6176.6171.70000110.6L17 A20 N24 A30 M31L17-V27 HydrophobicContact CD1-CG1 4.04Å; A20-V27 HydrophobicContact CB-CG1 3.88Å; A20-V27 HydrophobicContact CB-CG2 4.36Å; N24-V27 PolarHBondContact O-N 3.17Å; N24-V27 WeakPolarHBondContact OD1-CB 3.22Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.5Å; N24-V27 PolarHBondContact OD1-N 3.48Å; V27-A30 PolarHBondContact O-N 3.4Å; V27-M31 WeakPolarHBondContact O-CB 3.42Å; V27-M31 PolarHBondContact O-N 3.46Å
28L86.1Confident84.5Confident6 Ų659.8 Ų59.83%0.03132%0.324CS..Hα-helixtrans-61.1-45.7175.2177.162.3000111.2N24 E25 M31 L32 I60 L62 I75N24-L28 PolarHBondContact O-N 3.42Å; N24-L28 VanDerWaalsContact O-N 3.16Å; E25-L28 PolarHBondContact O-N 2.9Å; L28-M31 HydrophobicContact CD1-CE 3.86Å; L28-M31 PolarHBondContact O-N 3.48Å; L28-L32 HydrophobicContact CD1-CD1 4.16Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4.15Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.01Å; L28-L32 PolarHBondContact O-N 2.78Å; L28-I60 HydrophobicContact CD1-CD1 3.79Å; L28-I60 HydrophobicContact CD2-CB 4.38Å; L28-I60 HydrophobicContact CD2-CD1 4.16Å; L28-I60 HydrophobicContact CD2-CG2 4.01Å; L28-L62 HydrophobicContact CD2-CD1 4.36Å; L28-L62 HydrophobicContact CD2-CD2 4.48Å; L28-I75 HydrophobicContact CD1-CD1 4.3Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å
29N88.8Confident85.2Confident35 Ų3557.4 Ų57.419%0.18731%0.307CS..Hα-helixtrans-63.1-40.8178.4-84.6-50.4000112.6E25 E26 K33 K57E25-N29 VanDerWaalsContact O-CB 3.27Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 VanDerWaalsContact O-CG 3.32Å; E25-N29 PolarHBondContact O-N 2.88Å; E25-N29 PolarHBondContact O-ND2 3.29Å; E25-N29 PolarHBondContact OE1-ND2 2.78Å; E25-N29 VanDerWaalsContact OE1-ND2 3.13Å; E26-N29 PolarHBondContact O-N 3.11Å; N29-K33 WeakPolarHBondContact O-CB 3.49Å; N29-K33 PolarHBondContact O-N 3.34Å; N29-K57 WeakPolarHBondContact OD1-CE 2.8Å; N29-K57 PolarHBondContact OD1-NZ 3.2Å
30A88.9Confident85.6Confident50 Ų5054.7 Ų54.741%0.41329%0.293SS..Hα-helixtrans-64.7-46.6176.400000111.4E26 V27 K33 E34E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 2.93Å; V27-A30 PolarHBondContact O-N 3.4Å; A30-K33 WeakPolarHBondContact O-CB 3.35Å; A30-K33 PolarHBondContact O-N 3.49Å; A30-E34 PolarHBondContact O-N 3.1Å
31M89.1Confident85.9Confident1 Ų159 Ų591%0.00531%0.309CS..Hα-helixtrans-60.9-47.7176.5-179.3-80.4-68.500111.6A13 L14 V27 L28 K33 E34 V35 I75 V79A13-M31 HydrophobicContact CB-CG 4.28Å; A13-M31 WeakPolarHBondContact O-CG 2.87Å; L14-M31 HydrophobicContact CD2-SD 4.08Å; V27-M31 WeakPolarHBondContact O-CB 3.42Å; V27-M31 PolarHBondContact O-N 3.46Å; L28-M31 HydrophobicContact CD1-CE 3.86Å; L28-M31 PolarHBondContact O-N 3.48Å; M31-K33 PolarHBondContact O-N 3.36Å; M31-E34 PolarHBondContact O-N 3.23Å; M31-E34 VanDerWaalsContact O-N 3.14Å; M31-V35 WeakPolarHBondContact O-CG2 3.43Å; M31-V35 PolarHBondContact O-N 3.31Å; M31-V35 HydrophobicContact SD-CG2 3.69Å; M31-I75 HydrophobicContact CE-CG2 3.45Å; M31-I75 VanDerWaalsContact CE-CG2 3.45Å; M31-V79 HydrophobicContact CE-CG2 4.17Å
32L90.4Very high86.1Confident1 Ų152.9 Ų52.91%0.00527%0.272CS..Hα-helixtrans-61.7-34.9177.2-71.8176.8000112L28 V35 C36 R53 V56 K57 V79L28-L32 HydrophobicContact CD1-CD1 4.16Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4.15Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.01Å; L28-L32 PolarHBondContact O-N 2.78Å; L32-V35 PolarHBondContact O-N 3.09Å; L32-C36 VanDerWaalsContact O-CB 3.31Å; L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.31Å; L32-C36 PolarHBondContact O-SG 2.97Å; L32-R53 HydrophobicContact CB-CG 4.45Å; L32-R53 HydrophobicContact CD1-CG 4.39Å; L32-V56 HydrophobicContact CD1-CG1 4.35Å; L32-V56 HydrophobicContact CD2-CB 4.12Å; L32-V56 HydrophobicContact CD2-CG1 3.69Å; L32-K57 HydrophobicContact CD1-CG 3.78Å; L32-V79 HydrophobicContact CD2-CG2 4.41Å
33K91.5Very high86.2Confident140 Ų14048.4 Ų48.461%0.60925%0.249SC*.Hα-helixtrans-63.1-45.8174.5-173.7-179.4179.2-1770111N29 A30 M31 C36 T37N29-K33 WeakPolarHBondContact O-CB 3.49Å; N29-K33 PolarHBondContact O-N 3.34Å; A30-K33 WeakPolarHBondContact O-CB 3.35Å; A30-K33 PolarHBondContact O-N 3.49Å; M31-K33 PolarHBondContact O-N 3.36Å; K33-C36 PolarHBondContact O-N 3.23Å; K33-T37 WeakPolarHBondContact O-CB 3.47Å; K33-T37 PolarHBondContact O-N 3.09Å; K33-T37 PolarHBondContact O-OG1 2.92Å; K33-T37 VanDerWaalsContact O-OG1 3.07Å
34E89.9Confident86.2Confident89 Ų8947.5 Ų47.542%0.41625%0.245SC..Hα-helixtrans-61.5-44.6176.2-70.6178.8-170.300112.2A13 A30 M31 C36 T37 A38A13-E34 WeakPolarHBondContact CA-OE2 3.47Å; A13-E34 HydrophobicContact CB-CB 3.72Å; A13-E34 WeakPolarHBondContact CB-OE2 3.34Å; A30-E34 PolarHBondContact O-N 3.1Å; M31-E34 PolarHBondContact O-N 3.23Å; M31-E34 VanDerWaalsContact O-N 3.14Å; E34-C36 PolarHBondContact O-N 3.07Å; E34-T37 PolarHBondContact O-N 3.44Å; E34-A38 WeakPolarHBondContact O-CB 3.41Å; E34-A38 PolarHBondContact O-N 3.16Å
35V88Confident86.2Confident0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-61.7-44.2175.6174.80000111I10 A13 M31 L32 A38 L39I10-V35 HydrophobicContact CG1-CG1 4.45Å; I10-V35 HydrophobicContact CG2-CG2 4.28Å; A13-V35 HydrophobicContact CB-CG2 3.79Å; M31-V35 WeakPolarHBondContact O-CG2 3.43Å; M31-V35 PolarHBondContact O-N 3.31Å; M31-V35 HydrophobicContact SD-CG2 3.69Å; L32-V35 PolarHBondContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 3.06Å; V35-L39 HydrophobicContact CG1-CD1 4.18Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.57Å
36C89.3Confident86.3Confident13 Ų1345.4 Ų45.49%0.08824%0.236CC..Hα-helixtrans-62.7-44.8176.8-69.90000111.6L32 K33 E34 A38 L39 L40 V49L32-C36 VanDerWaalsContact O-CB 3.31Å; L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.31Å; L32-C36 PolarHBondContact O-SG 2.97Å; K33-C36 PolarHBondContact O-N 3.23Å; E34-C36 PolarHBondContact O-N 3.07Å; C36-A38 VanDerWaalsContact C-N 3.31Å; C36-A38 PolarHBondContact O-N 3.25Å; C36-L39 PolarHBondContact O-N 2.96Å; C36-L40 WeakPolarHBondContact O-CB 3.45Å; C36-L40 VanDerWaalsContact O-CG 3.24Å; C36-L40 WeakPolarHBondContact O-CG 3.31Å; C36-L40 PolarHBondContact O-N 3.07Å; C36-V49 HydrophobicContact CB-CG1 3.55Å
37T90.1Very high86.2Confident65 Ų6546.2 Ų46.240%0.39924%0.237SC..Hα-helixtrans-59.1-44.4176.1-64.90000110.8K33 E34 L39 L40 E41K33-T37 WeakPolarHBondContact O-CB 3.47Å; K33-T37 PolarHBondContact O-N 3.09Å; K33-T37 PolarHBondContact O-OG1 2.92Å; K33-T37 VanDerWaalsContact O-OG1 3.07Å; E34-T37 PolarHBondContact O-N 3.44Å; T37-L39 PolarHBondContact O-N 3.48Å; T37-L40 PolarHBondContact O-N 2.93Å; T37-E41 HydrophobicContact CG2-CG 4.37Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.46Å; T37-E41 PolarHBondContact O-N 3.44Å
38A86.8Confident86.2Confident3 Ų345.5 Ų45.53%0.02523%0.232CC..Hα-helixtrans-61.2-43.2177.600000112.4L6 K9 I10 E34 V35 C36 E41 A42L6-A38 HydrophobicContact CD1-CB 3.87Å; L6-A38 WeakPolarHBondContact CD1-O 3.48Å; K9-A38 HydrophobicContact CB-CB 3.67Å; K9-A38 HydrophobicContact CD-CB 4.16Å; I10-A38 HydrophobicContact CG1-CB 4.32Å; E34-A38 WeakPolarHBondContact O-CB 3.41Å; E34-A38 PolarHBondContact O-N 3.16Å; V35-A38 PolarHBondContact O-N 3.06Å; C36-A38 VanDerWaalsContact C-N 3.31Å; C36-A38 PolarHBondContact O-N 3.25Å; A38-E41 PolarHBondContact O-N 3.34Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.02Å; A38-A42 VanDerWaalsContact O-N 3.08Å
39L85.5Confident86.2Confident1 Ų145.4 Ų45.41%0.00523%0.232CC..Hα-helixtrans-64.8-40.2175.9-69.6169.5000112.1L6 V35 C36 T37 A42 D43 V44 V49 L52 L83L6-L39 HydrophobicContact CD1-CD2 4.22Å; L6-L39 HydrophobicContact CD2-CD2 4.43Å; V35-L39 HydrophobicContact CG1-CD1 4.18Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.57Å; C36-L39 PolarHBondContact O-N 2.96Å; T37-L39 PolarHBondContact O-N 3.48Å; L39-A42 CarbonylContact O-C 3.55Å; L39-A42 PolarHBondContact O-N 3.04Å; L39-D43 PolarHBondContact O-N 3.31Å; L39-V44 HydrophobicContact CB-CB 4.2Å; L39-V44 HydrophobicContact CB-CG2 4.06Å; L39-V44 HydrophobicContact CD2-CG2 4.05Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.34Å; L39-V44 WeakPolarHBondContact O-CG2 3.29Å; L39-V44 PolarHBondContact O-N 3.18Å; L39-V44 VanDerWaalsContact O-N 3.07Å; L39-V49 HydrophobicContact CB-CG2 3.77Å; L39-V49 HydrophobicContact CD1-CG2 4.38Å; L39-L52 HydrophobicContact CD1-CD1 4.21Å; L39-L52 HydrophobicContact CD1-CD2 4.46Å; L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.3Å
40L85.6Confident86.3Confident76 Ų7649.9 Ų49.940%0.39825%0.25SC..Hα-helixtrans-66.5-41177.3-70172.9000112.2C36 T37 A42 D43 I46 V49C36-L40 WeakPolarHBondContact O-CB 3.45Å; C36-L40 VanDerWaalsContact O-CG 3.24Å; C36-L40 WeakPolarHBondContact O-CG 3.31Å; C36-L40 PolarHBondContact O-N 3.07Å; T37-L40 PolarHBondContact O-N 2.93Å; L40-A42 PolarHBondContact O-N 3.31Å; L40-D43 WeakPolarHBondContact O-CA 3.46Å; L40-D43 PolarHBondContact O-N 3.31Å; L40-I46 HydrophobicContact CD2-CB 4.29Å; L40-I46 HydrophobicContact CD2-CG1 3.64Å; L40-V49 HydrophobicContact CD2-CB 4.31Å; L40-V49 HydrophobicContact CD2-CG1 4.49Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.28Å; L40-V49 HydrophobicContact CG-CG2 4.33Å
41E83.8Confident86.3Confident112 Ų11252.1 Ų52.152%0.52325%0.252SS..Hα-helixtrans-64.1-28.9173.6-70.4170.7134.600112.3K9 T37 A38 D43K9-E41 WeakPolarHBondContact CD-OE2 3.25Å; K9-E41 WeakPolarHBondContact CE-OE2 3.33Å; K9-E41 IonicContact NZ-OE1 2.92Å; K9-E41 PolarHBondContact NZ-OE1 3.49Å; K9-E41 IonicContact NZ-OE2 3.92Å; K9-E41 PolarHBondContact NZ-OE2 3.14Å; T37-E41 HydrophobicContact CG2-CG 4.37Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.46Å; T37-E41 PolarHBondContact O-N 3.44Å; A38-E41 PolarHBondContact O-N 3.34Å; E41-D43 PolarHBondContact O-N 2.85Å
42A79.1Confident86.2Confident4 Ų452.1 Ų52.13%0.03325%0.251CS..THydrogen-bonded Turntrans-81.51017200000113.7L6 A38 L39 L40 V44 G257L6-A42 HydrophobicContact CB-CB 4.49Å; L6-A42 HydrophobicContact CD1-CB 4.05Å; L6-A42 HydrophobicContact CD2-CB 3.94Å; L6-A42 HydrophobicContact CG-CB 4.4Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.02Å; A38-A42 VanDerWaalsContact O-N 3.08Å; L39-A42 CarbonylContact O-C 3.55Å; L39-A42 PolarHBondContact O-N 3.04Å; L40-A42 PolarHBondContact O-N 3.31Å; A42-V44 PolarHBondContact O-N 2.97Å; A42-G257 PolarHBondContact O-N 2.88Å; A42-G257 VanDerWaalsContact O-N 3.14Å
43D79.3Confident86.2Confident38 Ų3856.7 Ų56.720%0.20327%0.268CS..THydrogen-bonded Turntrans63.136.9175.7-148.421.2000113.5L39 L40 E41 G226 Q227 K255L39-D43 PolarHBondContact O-N 3.31Å; L40-D43 WeakPolarHBondContact O-CA 3.46Å; L40-D43 PolarHBondContact O-N 3.31Å; E41-D43 PolarHBondContact O-N 2.85Å; D43-G226 WeakPolarHBondContact OD2-CA 3.36Å; D43-Q227 WeakPolarHBondContact O-CG 3.47Å; D43-Q227 WeakPolarHBondContact OD1-CG 3.46Å; D43-K255 HydrophobicContact CB-CB 4.04Å; D43-K255 HydrophobicContact CB-CD 3.75Å; D43-K255 HydrophobicContact CB-CG 4.3Å; D43-K255 WeakPolarHBondContact OD2-CD 3.46Å; D43-K255 IonicContact OD2-NZ 3.76Å; D43-K255 PolarHBondContact OD2-NZ 3.4Å
44V79.3Confident86.2Confident1 Ų154.9 Ų54.91%0.00626%0.262CS..  trans-81.4138.5171.5-176.20000109.9L39 A42 I46 L48 V49 Q227 G257 L260L39-V44 HydrophobicContact CB-CB 4.2Å; L39-V44 HydrophobicContact CB-CG2 4.06Å; L39-V44 HydrophobicContact CD2-CG2 4.05Å; L39-V44 VanDerWaalsContact O-CB 3.26Å; L39-V44 WeakPolarHBondContact O-CB 3.34Å; L39-V44 WeakPolarHBondContact O-CG2 3.29Å; L39-V44 PolarHBondContact O-N 3.18Å; L39-V44 VanDerWaalsContact O-N 3.07Å; A42-V44 PolarHBondContact O-N 2.97Å; V44-I46 PolarHBondContact O-N 3.34Å; V44-L48 HydrophobicContact CG1-CB 4.41Å; V44-V49 HydrophobicContact CB-CG2 3.93Å; V44-V49 HydrophobicContact CG1-CG2 3.76Å; V44-Q227 PolarHBondContact O-NE2 3.43Å; V44-G257 VanDerWaalsContact CG2-CA 3.46Å; V44-L260 HydrophobicContact CG1-CD1 4.34Å; V44-L260 HydrophobicContact CG2-CD1 3.9Å
45N81.2Confident86.2Confident19 Ų1952.3 Ų52.310%0.10225%0.251CS..  trans-52.1128.6179.7-172.8-44.9000112.3K47 L48 V49 E230N45-K47 PolarHBondContact O-N 3.48Å; N45-K47 VanDerWaalsContact OD1-CB 3.29Å; N45-K47 WeakPolarHBondContact OD1-CB 3.35Å; N45-K47 PolarHBondContact OD1-N 2.78Å; N45-L48 HydrophobicContact CB-CB 4.42Å; N45-L48 HydrophobicContact CB-CD1 4.01Å; N45-L48 HydrophobicContact CB-CG 4.07Å; N45-L48 WeakPolarHBondContact O-CB 3.46Å; N45-L48 PolarHBondContact O-N 3.14Å; N45-V49 WeakPolarHBondContact O-CG2 3.23Å; N45-V49 PolarHBondContact O-N 2.94Å; N45-E230 PolarHBondContact ND2-OE2 3.5Å
46I86.4Confident86.2Confident115 Ų11552.3 Ų52.359%0.5925%0.251SS*.Hα-helixtrans-54.8-37.7-179.2-60.7167.3000111.9L40 V44 V49 K50L40-I46 HydrophobicContact CD2-CB 4.29Å; L40-I46 HydrophobicContact CD2-CG1 3.64Å; V44-I46 PolarHBondContact O-N 3.34Å; I46-V49 PolarHBondContact O-N 3.32Å; I46-K50 WeakPolarHBondContact O-CB 3.26Å; I46-K50 PolarHBondContact O-N 2.84Å
47K85.7Confident86.1Confident161 Ų16155.3 Ų55.370%0.726%0.263SS*.Hα-helixtrans-62.9-43.8176.9-63.7-179.3-179.31760111.5N45 K50 Q51N45-K47 PolarHBondContact O-N 3.48Å; N45-K47 VanDerWaalsContact OD1-CB 3.29Å; N45-K47 WeakPolarHBondContact OD1-CB 3.35Å; N45-K47 PolarHBondContact OD1-N 2.78Å; K47-K50 PolarHBondContact O-N 3.23Å; K47-Q51 WeakPolarHBondContact O-CB 3.32Å; K47-Q51 PolarHBondContact O-N 2.82Å
48L84.5Confident85.9Confident25 Ų2556.9 Ų56.913%0.13128%0.277CS..Hα-helixtrans-66.7-41.7177.4-63.6176.8000111.1V44 N45 Q51 L52 L86 A264V44-L48 HydrophobicContact CG1-CB 4.41Å; N45-L48 HydrophobicContact CB-CB 4.42Å; N45-L48 HydrophobicContact CB-CD1 4.01Å; N45-L48 HydrophobicContact CB-CG 4.07Å; N45-L48 WeakPolarHBondContact O-CB 3.46Å; N45-L48 PolarHBondContact O-N 3.14Å; L48-Q51 PolarHBondContact O-N 3.37Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 PolarHBondContact O-N 3.5Å; L48-L86 HydrophobicContact CB-CD2 4.3Å; L48-L86 HydrophobicContact CD2-CD2 4.28Å; L48-A264 HydrophobicContact CD1-CB 3.81Å; L48-A264 HydrophobicContact CD2-CB 4.02Å
49V87.9Confident85.7Confident5 Ų559.7 Ų59.73%0.0330%0.3CS..Hα-helixtrans-63.4-42.7176.11780000111.2C36 L39 L40 V44 N45 I46 L52 R53C36-V49 HydrophobicContact CB-CG1 3.55Å; L39-V49 HydrophobicContact CB-CG2 3.77Å; L39-V49 HydrophobicContact CD1-CG2 4.38Å; L40-V49 HydrophobicContact CD2-CB 4.31Å; L40-V49 HydrophobicContact CD2-CG1 4.49Å; L40-V49 HydrophobicContact CD2-CG2 4.01Å; L40-V49 HydrophobicContact CG-CG1 4.28Å; L40-V49 HydrophobicContact CG-CG2 4.33Å; V44-V49 HydrophobicContact CB-CG2 3.93Å; V44-V49 HydrophobicContact CG1-CG2 3.76Å; N45-V49 WeakPolarHBondContact O-CG2 3.23Å; N45-V49 PolarHBondContact O-N 2.94Å; I46-V49 PolarHBondContact O-N 3.32Å; V49-L52 PolarHBondContact O-N 2.82Å; V49-R53 PolarHBondContact O-N 3.34Å
50K90Very high85.5Confident129 Ų12960.3 Ų60.356%0.56130%0.303SS*.Hα-helixtrans-62.1-47176.1-175.3-179.5173.6-174.70111.3I46 K47 L52 R53 E54I46-K50 WeakPolarHBondContact O-CB 3.26Å; I46-K50 PolarHBondContact O-N 2.84Å; K47-K50 PolarHBondContact O-N 3.23Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.97Å; K50-R53 WeakPolarHBondContact O-CB 3.48Å; K50-R53 PolarHBondContact O-N 3.07Å; K50-E54 WeakPolarHBondContact CE-OE1 3.4Å; K50-E54 IonicContact NZ-OE1 2.57Å; K50-E54 PolarHBondContact O-N 3.49Å
51Q88.3Confident85Confident97 Ų9760.2 Ų60.245%0.45330%0.303SS..Hα-helixtrans-61.8-41.7178.2-172.4175.59.900111.8K47 L48 R53 E54 N55K47-Q51 WeakPolarHBondContact O-CB 3.32Å; K47-Q51 PolarHBondContact O-N 2.82Å; L48-Q51 PolarHBondContact O-N 3.37Å; Q51-R53 VanDerWaalsContact C-N 3.33Å; Q51-R53 PolarHBondContact O-N 3.38Å; Q51-E54 PolarHBondContact O-N 3.43Å; Q51-N55 WeakPolarHBondContact O-CB 3.3Å; Q51-N55 PolarHBondContact O-N 3.31Å; Q51-N55 PolarHBondContact O-OD1 3.37Å
52L88.1Confident84.4Confident0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-58.3-46173.6177.2147.2000111.2L39 L48 V49 K50 E54 N55 V56 E82 L83 L86L39-L52 HydrophobicContact CD1-CD1 4.21Å; L39-L52 HydrophobicContact CD1-CD2 4.46Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 PolarHBondContact O-N 3.5Å; V49-L52 PolarHBondContact O-N 2.82Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.97Å; L52-E54 PolarHBondContact O-N 3.2Å; L52-N55 PolarHBondContact O-N 3.4Å; L52-V56 HydrophobicContact CD2-CG2 4.26Å; L52-V56 HydrophobicContact CG-CG2 4.35Å; L52-V56 WeakPolarHBondContact O-CB 3.47Å; L52-V56 VanDerWaalsContact O-CG2 3.24Å; L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.46Å; L52-E82 HydrophobicContact CD1-CB 4.44Å; L52-E82 HydrophobicContact CG-CB 4.29Å; L52-L83 HydrophobicContact CD1-CD2 3.64Å; L52-L83 HydrophobicContact CD1-CG 4.11Å; L52-L86 HydrophobicContact CB-CD1 4.19Å; L52-L86 HydrophobicContact CD1-CD1 3.44Å; L52-L86 VanDerWaalsContact CD1-CD1 3.44Å; L52-L86 HydrophobicContact CD1-CG 4.32Å; L52-L86 HydrophobicContact CG-CD1 4.43Å
53R90.3Very high83.8Confident97 Ų9765.5 Ų65.537%0.36633%0.328SS..Hα-helixtrans-61.3-44.3179.3-174.4180178.9-164-2.9112L32 V49 K50 Q51 K57L32-R53 HydrophobicContact CB-CG 4.45Å; L32-R53 HydrophobicContact CD1-CG 4.39Å; V49-R53 PolarHBondContact O-N 3.34Å; K50-R53 WeakPolarHBondContact O-CB 3.48Å; K50-R53 PolarHBondContact O-N 3.07Å; Q51-R53 VanDerWaalsContact C-N 3.33Å; Q51-R53 PolarHBondContact O-N 3.38Å; R53-K57 WeakPolarHBondContact O-CB 3.24Å; R53-K57 WeakPolarHBondContact O-CG 3.33Å; R53-K57 PolarHBondContact O-N 3.03Å; R53-K57 VanDerWaalsContact O-N 3.07Å
54E91.3Very high83Confident102 Ų10271.6 Ų71.648%0.47736%0.355SS..Hα-helixtrans-65.6-45.9179.1-72172.417300111.3K50 Q51 L52 K57 S58K50-E54 WeakPolarHBondContact CE-OE1 3.4Å; K50-E54 IonicContact NZ-OE1 2.57Å; K50-E54 PolarHBondContact O-N 3.49Å; Q51-E54 PolarHBondContact O-N 3.43Å; L52-E54 PolarHBondContact O-N 3.2Å; E54-K57 PolarHBondContact O-N 3.47Å; E54-S58 WeakPolarHBondContact O-CB 3Å; E54-S58 PolarHBondContact O-N 3.37Å; E54-S58 PolarHBondContact O-OG 3.02Å
55N89.3Confident82.2Confident35 Ų3572.3 Ų72.319%0.18736%0.359CS..Hα-helixtrans-62.4-46.6178.2-67-7.2000111.7Q51 L52 K57 S58 A59 E82Q51-N55 WeakPolarHBondContact O-CB 3.3Å; Q51-N55 PolarHBondContact O-N 3.31Å; Q51-N55 PolarHBondContact O-OD1 3.37Å; L52-N55 PolarHBondContact O-N 3.4Å; N55-K57 VanDerWaalsContact C-N 3.33Å; N55-K57 PolarHBondContact O-N 3.48Å; N55-S58 WeakPolarHBondContact CA-OG 3.36Å; N55-S58 PolarHBondContact O-N 2.97Å; N55-S58 PolarHBondContact O-OG 3.27Å; N55-A59 WeakPolarHBondContact O-CB 3.47Å; N55-A59 PolarHBondContact O-N 3.49Å; N55-E82 VanDerWaalsContact CB-CD 3.5Å; N55-E82 HydrophobicContact CB-CG 4.03Å; N55-E82 WeakPolarHBondContact CB-OE2 3.44Å; N55-E82 PolarHBondContact ND2-OE2 3.47Å
56V87.9Confident81.1Confident0 Ų074.5 Ų74.50%038%0.379CS..Hα-helixtrans-62.7-41.7179.11760000110.8L32 L52 S58 A59 I60 V79 E82L32-V56 HydrophobicContact CD1-CG1 4.35Å; L32-V56 HydrophobicContact CD2-CB 4.12Å; L32-V56 HydrophobicContact CD2-CG1 3.69Å; L52-V56 HydrophobicContact CD2-CG2 4.26Å; L52-V56 HydrophobicContact CG-CG2 4.35Å; L52-V56 WeakPolarHBondContact O-CB 3.47Å; L52-V56 VanDerWaalsContact O-CG2 3.24Å; L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.46Å; V56-S58 PolarHBondContact O-N 3.37Å; V56-A59 PolarHBondContact O-N 3.49Å; V56-I60 HydrophobicContact CG1-CD1 3.52Å; V56-I60 WeakPolarHBondContact O-CD1 3.25Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 3.01Å; V56-V79 HydrophobicContact CG1-CG2 4.02Å; V56-V79 HydrophobicContact CG2-CG2 4.45Å; V56-E82 HydrophobicContact CG2-CB 3.79Å; V56-E82 HydrophobicContact CG2-CG 3.67Å
57K87.1Confident79.7Confident76 Ų7674.3 Ų74.333%0.3339%0.388SS..Hα-helixtrans-60.4-44.3174.1-80.4-174.4169.2-145.70112.4N29 L32 R53 E54 N55 A59 I60N29-K57 WeakPolarHBondContact OD1-CE 2.8Å; N29-K57 PolarHBondContact OD1-NZ 3.2Å; L32-K57 HydrophobicContact CD1-CG 3.78Å; R53-K57 WeakPolarHBondContact O-CB 3.24Å; R53-K57 WeakPolarHBondContact O-CG 3.33Å; R53-K57 PolarHBondContact O-N 3.03Å; R53-K57 VanDerWaalsContact O-N 3.07Å; E54-K57 PolarHBondContact O-N 3.47Å; N55-K57 VanDerWaalsContact C-N 3.33Å; N55-K57 PolarHBondContact O-N 3.48Å; K57-A59 VanDerWaalsContact C-N 3.26Å; K57-A59 PolarHBondContact O-N 2.93Å; K57-I60 PolarHBondContact O-N 3.49Å
58S86.4Confident78.4Confident99 Ų9968.6 Ų68.669%0.69238%0.375SS*.Hα-helixtrans-68.5-25.6-179.969.60000113.4E54 N55 V56E54-S58 WeakPolarHBondContact O-CB 3Å; E54-S58 PolarHBondContact O-N 3.37Å; E54-S58 PolarHBondContact O-OG 3.02Å; N55-S58 WeakPolarHBondContact CA-OG 3.36Å; N55-S58 PolarHBondContact O-N 2.97Å; N55-S58 PolarHBondContact O-OG 3.27Å; V56-S58 PolarHBondContact O-N 3.37Å
59A83Confident77.2Confident61 Ų6173.7 Ų73.750%0.50440%0.402SS..Hα-helixtrans-84.5-11-179.800000113.7N55 V56 K57N55-A59 WeakPolarHBondContact O-CB 3.47Å; N55-A59 PolarHBondContact O-N 3.49Å; V56-A59 PolarHBondContact O-N 3.49Å; K57-A59 VanDerWaalsContact C-N 3.26Å; K57-A59 PolarHBondContact O-N 2.93Å
60I81.7Confident76.2Confident14 Ų1478.4 Ų78.47%0.07243%0.427CS..  trans-112.2103.4-176.4-62.7163000108.4L28 V56 K57 L62 M65 I75 A78L28-I60 HydrophobicContact CD1-CD1 3.79Å; L28-I60 HydrophobicContact CD2-CB 4.38Å; L28-I60 HydrophobicContact CD2-CD1 4.16Å; L28-I60 HydrophobicContact CD2-CG2 4.01Å; V56-I60 HydrophobicContact CG1-CD1 3.52Å; V56-I60 WeakPolarHBondContact O-CD1 3.25Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 3.01Å; K57-I60 PolarHBondContact O-N 3.49Å; I60-L62 HydrophobicContact CG2-CD2 3.88Å; I60-L62 HydrophobicContact CG2-CG 4.22Å; I60-M65 HydrophobicContact CG2-SD 3.79Å; I60-I75 HydrophobicContact CD1-CB 4.3Å; I60-I75 HydrophobicContact CD1-CG1 3.91Å; I60-I75 HydrophobicContact CD1-CG2 4.07Å; I60-I75 HydrophobicContact CG1-CG1 4.36Å; I60-I75 HydrophobicContact CG2-CG1 4.21Å; I60-A78 HydrophobicContact CD1-CB 4.32Å; I60-A78 HydrophobicContact CG1-CB 4.17Å
61D74.2Confident75.5Confident75 Ų7574.1 Ų74.140%0.40141%0.408SS..  trans-90.4105.2167.5-169-31.7000109.6E63 E64 M65D61-E63 PolarHBondContact O-N 3.48Å; D61-E63 WeakPolarHBondContact OD1-CA 2.9Å; D61-E63 WeakPolarHBondContact OD1-CB 3.34Å; D61-E63 PolarHBondContact OD1-N 3.03Å; D61-E64 HydrophobicContact CB-CB 4.26Å; D61-E64 PolarHBondContact OD1-N 3.25Å; D61-M65 WeakPolarHBondContact O-CB 3.41Å; D61-M65 WeakPolarHBondContact O-CG 3.37Å; D61-M65 PolarHBondContact O-N 3.01Å
62L70.7Confident74.9Confident38 Ų3872.5 Ų72.520%0.19940%0.398CS..THydrogen-bonded Turntrans-68.2-20.7-177.7-69.4173.9000113.2I23 E25 L28 I60 K71I23-L62 HydrophobicContact CG2-CD2 4.33Å; E25-L62 HydrophobicContact CB-CD1 3.91Å; E25-L62 HydrophobicContact CG-CD1 4.12Å; L28-L62 HydrophobicContact CD2-CD1 4.36Å; L28-L62 HydrophobicContact CD2-CD2 4.48Å; I60-L62 HydrophobicContact CG2-CD2 3.88Å; I60-L62 HydrophobicContact CG2-CG 4.22Å; L62-K71 PolarHBondContact O-NZ 3.38Å
63E66.1Low74.4Confident188 Ų18879.8 Ų79.888%0.87943%0.429SS*.THydrogen-bonded Turntrans-86.1-41.6-176.8-61.6-170.7173.100111.7D61 M65D61-E63 PolarHBondContact O-N 3.48Å; D61-E63 WeakPolarHBondContact OD1-CA 2.9Å; D61-E63 WeakPolarHBondContact OD1-CB 3.34Å; D61-E63 PolarHBondContact OD1-N 3.03Å; E63-M65 VanDerWaalsContact C-N 3.35Å; E63-M65 PolarHBondContact O-N 3.01Å
64E62.9Low73.9Confident166 Ų16679.6 Ų79.678%0.77643%0.434SS*.THydrogen-bonded Turntrans-75.5-20.8177.9-73.9-162.9156.100113.9D61 A66D61-E64 HydrophobicContact CB-CB 4.26Å; D61-E64 PolarHBondContact OD1-N 3.25Å; E64-A66 PolarHBondContact O-N 2.99Å
65M62.6Low73.4Confident17 Ų1774.8 Ų74.88%0.08441%0.411CS..SBendtrans-74.7123.7-173-72.6169.562.400112.6I60 D61 E63 K71 M74 I75I60-M65 HydrophobicContact CG2-SD 3.79Å; D61-M65 WeakPolarHBondContact O-CB 3.41Å; D61-M65 WeakPolarHBondContact O-CG 3.37Å; D61-M65 PolarHBondContact O-N 3.01Å; E63-M65 VanDerWaalsContact C-N 3.35Å; E63-M65 PolarHBondContact O-N 3.01Å; M65-K71 HydrophobicContact CB-CD 4.29Å; M65-K71 HydrophobicContact CB-CG 3.99Å; M65-K71 HydrophobicContact CE-CB 3.99Å; M65-K71 HydrophobicContact CE-CG 4.1Å; M65-K71 WeakPolarHBondContact O-CE 3.44Å; M65-K71 PolarHBondContact O-NZ 3Å; M65-M74 HydrophobicContact CE-CB 3.57Å; M65-M74 HydrophobicContact CE-CE 4.44Å; M65-M74 HydrophobicContact CE-CG 3.8Å; M65-M74 HydrophobicContact CE-SD 3.4Å; M65-M74 WeakPolarHBondContact CE-SD 3.24Å; M65-M74 HydrophobicContact CG-CE 4.33Å; M65-M74 HydrophobicContact CG-SD 3.65Å; M65-M74 HydrophobicContact SD-CG 4.46Å; M65-M74 HydrophobicContact SD-SD 3.54Å; M65-I75 HydrophobicContact CE-CG1 4.45Å
66A57.7Low73.1Confident64 Ų6475.4 Ų75.453%0.52941%0.413SS..PPolyproline II helixtrans-55.8148.2174.900000113E64 K71E64-A66 PolarHBondContact O-N 2.99Å; A66-K71 WeakPolarHBondContact O-CG 3.39Å
67S58.8Low72.8Confident112 Ų11281 Ų8178%0.78344%0.439SS*.SBendtrans-58.1138.3-16549.90000116L69S67-L69 PolarHBondContact O-N 3.38Å; S67-L69 VanDerWaalsContact O-N 3.09Å
68G57.4Low72.8Confident40 Ų4078 Ų7841%0.41243%0.428SS..THydrogen-bonded Turntrans73.6-87.7160.200000117.3
69L60.1Low72.8Confident133 Ų13373.2 Ų73.270%0.69640%0.395SS*.Hα-helixtrans-79-36.6-166.5-69.6169000112.6S67 K71S67-L69 PolarHBondContact O-N 3.38Å; S67-L69 VanDerWaalsContact O-N 3.09Å; L69-K71 VanDerWaalsContact C-N 3.31Å; L69-K71 PolarHBondContact O-N 2.99Å
70N66.5Low72.9Confident104 Ų10471.9 Ų71.956%0.55638%0.378SS*.Hα-helixtrans-68.8-31.5176.9-77.9-16.5000111.9R72 K73 M74N70-R72 PolarHBondContact O-N 3.43Å; N70-K73 PolarHBondContact O-N 3.33Å; N70-M74 VanDerWaalsContact O-CB 3.3Å; N70-M74 WeakPolarHBondContact O-CB 3.46Å; N70-M74 PolarHBondContact O-N 3.2Å
71K75.2Confident73.2Confident39 Ų3977.6 Ų77.617%0.1740%0.402CS..Hα-helixtrans-59.3-48.1178.5-62.7-160.8173.7-167.20112.4I23 L62 M65 A66 L69 K73 M74 I75I23-K71 HydrophobicContact CD1-CB 3.89Å; L62-K71 PolarHBondContact O-NZ 3.38Å; M65-K71 HydrophobicContact CB-CD 4.29Å; M65-K71 HydrophobicContact CB-CG 3.99Å; M65-K71 HydrophobicContact CE-CB 3.99Å; M65-K71 HydrophobicContact CE-CG 4.1Å; M65-K71 WeakPolarHBondContact O-CE 3.44Å; M65-K71 PolarHBondContact O-NZ 3Å; A66-K71 WeakPolarHBondContact O-CG 3.39Å; L69-K71 VanDerWaalsContact C-N 3.31Å; L69-K71 PolarHBondContact O-N 2.99Å; K71-K73 PolarHBondContact O-N 3.49Å; K71-M74 PolarHBondContact O-N 3.17Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.4Å; K71-I75 PolarHBondContact O-N 3.49Å
72R76.4Confident73.8Confident63 Ų6374.9 Ų74.924%0.23839%0.387CS..Hα-helixtrans-58.1-51.8-179.6-71173.3-176146.85112.3L17 A20 I23 N70 M74 I75 Q76L17-R72 HydrophobicContact CD2-CB 4.4Å; L17-R72 HydrophobicContact CD2-CG 4.41Å; A20-R72 PolarHBondContact O-NH2 3.13Å; I23-R72 HydrophobicContact CD1-CB 4.36Å; I23-R72 HydrophobicContact CD1-CG 3.39Å; N70-R72 PolarHBondContact O-N 3.43Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 3.25Å; R72-I75 PolarHBondContact O-N 3.19Å; R72-Q76 WeakPolarHBondContact O-CG 3.27Å; R72-Q76 PolarHBondContact O-N 3.38Å
73K76.6Confident74.4Confident153 Ų15373.3 Ų73.367%0.66538%0.379SS*.Hα-helixtrans-65.6-38-177-170.3175-180-179.90111.4N70 K71 Q76 H77N70-K73 PolarHBondContact O-N 3.33Å; K71-K73 PolarHBondContact O-N 3.49Å; K73-Q76 PolarHBondContact O-N 3.36Å; K73-H77 VanDerWaalsContact O-CB 3.27Å; K73-H77 WeakPolarHBondContact O-CB 3.39Å; K73-H77 PolarHBondContact O-N 3.22Å
74M79.2Confident75.4Confident93 Ų9365.2 Ų65.246%0.45834%0.342SS..Hα-helixtrans-67.5-41.1178-170.4179.1-65.100111.9M65 N70 K71 R72 H77 A78M65-M74 HydrophobicContact CE-CB 3.57Å; M65-M74 HydrophobicContact CE-CE 4.44Å; M65-M74 HydrophobicContact CE-CG 3.8Å; M65-M74 HydrophobicContact CE-SD 3.4Å; M65-M74 WeakPolarHBondContact CE-SD 3.24Å; M65-M74 HydrophobicContact CG-CE 4.33Å; M65-M74 HydrophobicContact CG-SD 3.65Å; M65-M74 HydrophobicContact SD-CG 4.46Å; M65-M74 HydrophobicContact SD-SD 3.54Å; N70-M74 VanDerWaalsContact O-CB 3.3Å; N70-M74 WeakPolarHBondContact O-CB 3.46Å; N70-M74 PolarHBondContact O-N 3.2Å; K71-M74 PolarHBondContact O-N 3.17Å; R72-M74 VanDerWaalsContact C-N 3.32Å; R72-M74 PolarHBondContact O-N 3.25Å; M74-H77 PolarHBondContact O-N 3.08Å; M74-A78 WeakPolarHBondContact O-CB 3.49Å; M74-A78 PolarHBondContact O-N 3.47Å
75I82.2Confident76.5Confident0 Ų063.2 Ų63.20%033%0.331CS..Hα-helixtrans-63.3-46.4174.9-65.3167.6000110.7L17 I23 L28 M31 I60 M65 K71 R72 H77 A78 V79L17-I75 HydrophobicContact CD1-CD1 4.04Å; L17-I75 HydrophobicContact CD2-CB 3.86Å; L17-I75 HydrophobicContact CD2-CD1 4.02Å; L17-I75 HydrophobicContact CD2-CG2 3.82Å; I23-I75 HydrophobicContact CD1-CD1 4.37Å; I23-I75 HydrophobicContact CG2-CD1 3.72Å; L28-I75 HydrophobicContact CD1-CD1 4.3Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å; M31-I75 HydrophobicContact CE-CG2 3.45Å; M31-I75 VanDerWaalsContact CE-CG2 3.45Å; I60-I75 HydrophobicContact CD1-CB 4.3Å; I60-I75 HydrophobicContact CD1-CG1 3.91Å; I60-I75 HydrophobicContact CD1-CG2 4.07Å; I60-I75 HydrophobicContact CG1-CG1 4.36Å; I60-I75 HydrophobicContact CG2-CG1 4.21Å; M65-I75 HydrophobicContact CE-CG1 4.45Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.4Å; K71-I75 PolarHBondContact O-N 3.49Å; R72-I75 PolarHBondContact O-N 3.19Å; I75-H77 VanDerWaalsContact C-N 3.29Å; I75-H77 PolarHBondContact O-N 2.91Å; I75-A78 PolarHBondContact O-N 2.97Å; I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 3.45Å
76Q81.6Confident77.3Confident49 Ų4963.6 Ų63.623%0.22933%0.333CS..Hα-helixtrans-58.4-42.9175.3-73.9175.7-5.800111.6L14 R72 K73 V79 F80L14-Q76 HydrophobicContact CD2-CG 4.11Å; R72-Q76 WeakPolarHBondContact O-CG 3.27Å; R72-Q76 PolarHBondContact O-N 3.38Å; K73-Q76 PolarHBondContact O-N 3.36Å; Q76-V79 PolarHBondContact O-N 3.4Å; Q76-F80 WeakPolarHBondContact O-CB 3.39Å; Q76-F80 PolarHBondContact O-N 2.86Å
77H83.5Confident78.4Confident117 Ų11760.7 Ų60.754%0.54231%0.308SS..Hα-helixtrans-66.5-39.2177.5-172.674.2000112.4K73 M74 I75 F80 K81K73-H77 VanDerWaalsContact O-CB 3.27Å; K73-H77 WeakPolarHBondContact O-CB 3.39Å; K73-H77 PolarHBondContact O-N 3.22Å; M74-H77 PolarHBondContact O-N 3.08Å; I75-H77 VanDerWaalsContact C-N 3.29Å; I75-H77 PolarHBondContact O-N 2.91Å; H77-F80 PolarHBondContact O-N 2.64Å; H77-K81 VanDerWaalsContact O-CB 3.31Å; H77-K81 WeakPolarHBondContact O-CB 3.43Å; H77-K81 PolarHBondContact O-N 2.96Å
78A86Confident79.6Confident12 Ų1258.6 Ų58.610%0.09929%0.288CS..Hα-helixtrans-63.2-45.9175.700000111.5I60 M74 I75 K81 E82I60-A78 HydrophobicContact CD1-CB 4.32Å; I60-A78 HydrophobicContact CG1-CB 4.17Å; M74-A78 WeakPolarHBondContact O-CB 3.49Å; M74-A78 PolarHBondContact O-N 3.47Å; I75-A78 PolarHBondContact O-N 2.97Å; A78-K81 PolarHBondContact O-N 3.24Å; A78-E82 PolarHBondContact O-N 2.91Å
79V85.9Confident80.7Confident0 Ų058.7 Ų58.70%028%0.282CS..Hα-helixtrans-61-45.8174.71740000110.9M31 L32 V56 I75 Q76 K81 E82 L83M31-V79 HydrophobicContact CE-CG2 4.17Å; L32-V79 HydrophobicContact CD2-CG2 4.41Å; V56-V79 HydrophobicContact CG1-CG2 4.02Å; V56-V79 HydrophobicContact CG2-CG2 4.45Å; I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 3.45Å; Q76-V79 PolarHBondContact O-N 3.4Å; V79-K81 PolarHBondContact O-N 3.22Å; V79-E82 PolarHBondContact O-N 3Å; V79-L83 HydrophobicContact CG1-CD1 3.94Å; V79-L83 HydrophobicContact CG1-CG 4.39Å; V79-L83 WeakPolarHBondContact O-CB 3.43Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.16Å; V79-L83 PolarHBondContact O-N 3.17Å
80F85.5Confident81.8Confident33 Ų3355.6 Ų55.615%0.14528%0.282CS..Hα-helixtrans-58.8-47.5176.7177.5-95.2000111.9Q76 H77 E82 L83 V84 Q288 I291 L295Q76-F80 WeakPolarHBondContact O-CB 3.39Å; Q76-F80 PolarHBondContact O-N 2.86Å; H77-F80 PolarHBondContact O-N 2.64Å; F80-E82 PolarHBondContact O-N 3.27Å; F80-L83 PolarHBondContact O-N 3.01Å; F80-V84 HydrophobicContact CD1-CG2 4.13Å; F80-V84 HydrophobicContact CE1-CG2 3.74Å; F80-V84 HydrophobicContact CE2-CG2 4.31Å; F80-V84 HydrophobicContact CZ-CG2 3.85Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 3.34Å; F80-Q288 HydrophobicContact CE1-CG 4.48Å; F80-Q288 HydrophobicContact CZ-CB 4.3Å; F80-Q288 HydrophobicContact CZ-CG 4.38Å; F80-I291 HydrophobicContact CD2-CB 4.41Å; F80-I291 HydrophobicContact CD2-CG2 3.57Å; F80-I291 HydrophobicContact CE2-CB 3.93Å; F80-I291 HydrophobicContact CE2-CG2 3.59Å; F80-L295 HydrophobicContact CB-CD1 4.31Å; F80-L295 HydrophobicContact CD2-CD1 3.71Å
81K87.5Confident82.5Confident133 Ų13354.5 Ų54.558%0.57828%0.279SS*.Hα-helixtrans-61.9-43.1-179.5-174.2-179.2179-176.60111.9H77 A78 V79 V84 K85H77-K81 VanDerWaalsContact O-CB 3.31Å; H77-K81 WeakPolarHBondContact O-CB 3.43Å; H77-K81 PolarHBondContact O-N 2.96Å; A78-K81 PolarHBondContact O-N 3.24Å; V79-K81 PolarHBondContact O-N 3.22Å; K81-V84 PolarHBondContact O-N 3.27Å; K81-K85 WeakPolarHBondContact O-CB 3.42Å; K81-K85 PolarHBondContact O-N 2.86Å
82E87.6Confident82.9Confident18 Ų1861.3 Ų61.38%0.08431%0.309CS..Hα-helixtrans-70.3-35.9177.4-72.2-59.1132.200112.2L52 N55 V56 A78 V79 F80 K85 L86L52-E82 HydrophobicContact CD1-CB 4.44Å; L52-E82 HydrophobicContact CG-CB 4.29Å; N55-E82 VanDerWaalsContact CB-CD 3.5Å; N55-E82 HydrophobicContact CB-CG 4.03Å; N55-E82 WeakPolarHBondContact CB-OE2 3.44Å; N55-E82 PolarHBondContact ND2-OE2 3.47Å; V56-E82 HydrophobicContact CG2-CB 3.79Å; V56-E82 HydrophobicContact CG2-CG 3.67Å; A78-E82 PolarHBondContact O-N 2.91Å; V79-E82 PolarHBondContact O-N 3Å; F80-E82 PolarHBondContact O-N 3.27Å; E82-K85 PolarHBondContact O-N 3.37Å; E82-L86 WeakPolarHBondContact O-CG 3.16Å; E82-L86 PolarHBondContact O-N 2.93Å
83L84.1Confident83.4Confident6 Ų660 Ų603%0.03131%0.311CS..Hα-helixtrans-62.1-43.2171-74.1171.8000111.8L39 L52 V79 F80 K85 L86 V87 I291 L295L39-L83 HydrophobicContact CD1-CD2 4.4Å; L39-L83 HydrophobicContact CD2-CD2 4.3Å; L52-L83 HydrophobicContact CD1-CD2 3.64Å; L52-L83 HydrophobicContact CD1-CG 4.11Å; V79-L83 HydrophobicContact CG1-CD1 3.94Å; V79-L83 HydrophobicContact CG1-CG 4.39Å; V79-L83 WeakPolarHBondContact O-CB 3.43Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.16Å; V79-L83 PolarHBondContact O-N 3.17Å; F80-L83 PolarHBondContact O-N 3.01Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.4Å; L83-L86 PolarHBondContact O-N 3.41Å; L83-V87 WeakPolarHBondContact O-CG2 3.47Å; L83-I291 HydrophobicContact CB-CD1 4.42Å; L83-I291 HydrophobicContact CB-CG2 3.95Å; L83-I291 HydrophobicContact CD1-CG2 4.35Å; L83-L295 HydrophobicContact CD1-CD2 4.12Å
84V86Confident84Confident17 Ų1755.9 Ų55.910%0.10329%0.291CS..Hα-helixtrans-60.5-44.9174.8168.10000110.6F80 K81 L86 V87 D88 T287 Q288 I291F80-V84 HydrophobicContact CD1-CG2 4.13Å; F80-V84 HydrophobicContact CE1-CG2 3.74Å; F80-V84 HydrophobicContact CE2-CG2 4.31Å; F80-V84 HydrophobicContact CZ-CG2 3.85Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 3.34Å; K81-V84 PolarHBondContact O-N 3.27Å; V84-L86 VanDerWaalsContact C-N 3.25Å; V84-L86 PolarHBondContact O-N 3.05Å; V84-V87 PolarHBondContact O-N 2.7Å; V84-D88 HydrophobicContact CG1-CB 4.47Å; V84-D88 WeakPolarHBondContact O-CB 3.47Å; V84-D88 PolarHBondContact O-N 3.03Å; V84-T287 HydrophobicContact CB-CG2 4.45Å; V84-T287 HydrophobicContact CG1-CG2 3.96Å; V84-Q288 HydrophobicContact CG1-CG 4.35Å; V84-Q288 HydrophobicContact CG2-CG 4.26Å; V84-I291 HydrophobicContact CG2-CB 4.14Å; V84-I291 HydrophobicContact CG2-CG1 4.04Å; V84-I291 HydrophobicContact CG2-CG2 4.31Å
85K85.2Confident84.5Confident125 Ų12555.6 Ų55.654%0.54330%0.295SS..Hα-helixtrans-62.7-28.2179.1-170.3-177.7179.1-173.90113.6K81 E82 L83 V87K81-K85 WeakPolarHBondContact O-CB 3.42Å; K81-K85 PolarHBondContact O-N 2.86Å; E82-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.4Å; K85-V87 VanDerWaalsContact C-N 3.29Å
86L80.6Confident84.9Confident24 Ų2456.4 Ų56.413%0.12630%0.3CS..Hα-helixtrans-69.9-26.5173.8-73.1-178.7000113.1L48 L52 E82 L83 V84L48-L86 HydrophobicContact CB-CD2 4.3Å; L48-L86 HydrophobicContact CD2-CD2 4.28Å; L52-L86 HydrophobicContact CB-CD1 4.19Å; L52-L86 HydrophobicContact CD1-CD1 3.44Å; L52-L86 VanDerWaalsContact CD1-CD1 3.44Å; L52-L86 HydrophobicContact CD1-CG 4.32Å; L52-L86 HydrophobicContact CG-CD1 4.43Å; E82-L86 WeakPolarHBondContact O-CG 3.16Å; E82-L86 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 3.41Å; V84-L86 VanDerWaalsContact C-N 3.25Å; V84-L86 PolarHBondContact O-N 3.05Å
87V80.3Confident85.4Confident3 Ų357.6 Ų57.62%0.01831%0.311CS..Hα-helixtrans-105.4-19.4-175.1-156.70000112.3L83 V84 K85 L260 V263 I270 F285 T287 I291L83-V87 WeakPolarHBondContact O-CG2 3.47Å; V84-V87 PolarHBondContact O-N 2.7Å; K85-V87 VanDerWaalsContact C-N 3.29Å; V87-L260 HydrophobicContact CB-CD2 3.96Å; V87-L260 HydrophobicContact CG1-CD2 4.02Å; V87-L260 HydrophobicContact CG2-CD2 3.16Å; V87-V263 WeakPolarHBondContact O-CG1 3.4Å; V87-I270 HydrophobicContact CG1-CD1 4.08Å; V87-F285 HydrophobicContact CG1-CE1 4.06Å; V87-F285 HydrophobicContact CG1-CZ 3.77Å; V87-T287 HydrophobicContact CB-CG2 3.73Å; V87-T287 HydrophobicContact CG1-CG2 4.29Å; V87-T287 HydrophobicContact CG2-CG2 4.33Å; V87-I291 HydrophobicContact CG2-CD1 3.78Å; V87-I291 HydrophobicContact CG2-CG1 4.3Å
88D84.3Confident85.5Confident68 Ų6858.6 Ų58.636%0.36431%0.314SS..  trans-102.2111.3178.4-170.5-3.1000110V84 G90 T287V84-D88 HydrophobicContact CG1-CB 4.47Å; V84-D88 WeakPolarHBondContact O-CB 3.47Å; V84-D88 PolarHBondContact O-N 3.03Å; D88-G90 PolarHBondContact O-N 3.45Å; D88-G90 PolarHBondContact OD1-N 3.15Å; D88-T287 HydrophobicContact CB-CG2 4.18Å
89P80.5Confident85.5Confident43 Ų4361.1 Ų61.128%0.27934%0.341SS..  trans-71.6-5.1175.330.6-33.5000112.9V91 V263 K267 P269P89-V91 HydrophobicContact CB-CG2 4.35Å; P89-V91 HydrophobicContact CG-CB 4.34Å; P89-V91 PolarHBondContact O-N 2.88Å; P89-V263 HydrophobicContact CB-CG1 4.28Å; P89-V263 HydrophobicContact CG-CG1 4.21Å; P89-K267 WeakPolarHBondContact CB-O 3.49Å; P89-P269 HydrophobicContact CG-CB 4.15Å
90G82.5Confident85.7Confident68 Ų6867.6 Ų67.670%0.70137%0.369SS*.SBendtrans74.810.7-175.100000113.4D88D88-G90 PolarHBondContact O-N 3.45Å; D88-G90 PolarHBondContact OD1-N 3.15Å
91V82Confident86Confident81 Ų8169.7 Ų69.749%0.49138%0.379SS..PPolyproline II helixtrans-101.2129.6178.9-178.40000108.7P89 A93P89-V91 HydrophobicContact CB-CG2 4.35Å; P89-V91 HydrophobicContact CG-CB 4.34Å; P89-V91 PolarHBondContact O-N 2.88Å; V91-A93 PolarHBondContact O-N 3.48Å
92K84.2Confident86.4Confident182 Ų18263.6 Ų63.679%0.79135%0.353SS*.PPolyproline II helixtrans-63.5125.8176-173.6179.9177.5-177.40109.6
93A85.9Confident86.8Confident34 Ų3462.8 Ų62.828%0.28135%0.349SS..PPolyproline II helixtrans-55.6138.317300000111.7V91 T95 P269 I271V91-A93 PolarHBondContact O-N 3.48Å; A93-T95 PolarHBondContact O-N 3.24Å; A93-P269 HydrophobicContact CB-CB 4.26Å; A93-P269 HydrophobicContact CB-CG 4.05Å; A93-I271 HydrophobicContact CB-CG2 3.81Å
94W89Confident87.4Confident67 Ų6762.6 Ų62.625%0.25435%0.348SS..PPolyproline II helixtrans-62.5135.7170.9179.198.6000109.7P96 N102 I104 D215 N216W94-P96 HydrophobicContact CH2-CB 3.64Å; W94-P96 HydrophobicContact CH2-CG 4.43Å; W94-P96 HydrophobicContact CZ2-CB 4.42Å; W94-P96 HydrophobicContact CZ3-CB 3.88Å; W94-P96 HydrophobicContact CZ3-CG 4.18Å; W94-N102 HydrophobicContact CH2-CB 3.85Å; W94-N102 HydrophobicContact CZ2-CB 4.12Å; W94-I104 HydrophobicContact CH2-CD1 4.02Å; W94-I104 HydrophobicContact CH2-CG1 4.01Å; W94-I104 HydrophobicContact CZ3-CD1 3.93Å; W94-I104 HydrophobicContact CZ3-CG1 4.24Å; W94-D215 HydrophobicContact CZ2-CB 3.77Å; W94-D215 PolarHBondContact NE1-O 2.92Å; W94-N216 HydrophobicContact CD2-CB 3.65Å; W94-N216 HydrophobicContact CE3-CB 3.79Å; W94-N216 HydrophobicContact CG-CB 4.1Å; W94-N216 HydrophobicContact CH2-CB 4.19Å; W94-N216 HydrophobicContact CZ2-CB 4.11Å; W94-N216 HydrophobicContact CZ3-CB 4.04Å
95T89.2Confident87.9Confident87 Ų8761.8 Ų61.853%0.53434%0.344SS..  trans-126.4130.4178.853.70000109.3A93A93-T95 PolarHBondContact O-N 3.24Å
96P91.8Very high88.4Confident18 Ų1855.9 Ų55.912%0.11732%0.318CS..PPolyproline II helixtrans-63.3145.6178.225.8-32.4000111.1W94 N102 Y125 W130 I186W94-P96 HydrophobicContact CH2-CB 3.64Å; W94-P96 HydrophobicContact CH2-CG 4.43Å; W94-P96 HydrophobicContact CZ2-CB 4.42Å; W94-P96 HydrophobicContact CZ3-CB 3.88Å; W94-P96 HydrophobicContact CZ3-CG 4.18Å; P96-N102 WeakPolarHBondContact CA-OD1 3.26Å; P96-N102 HydrophobicContact CB-CB 4.23Å; P96-Y125 WeakPolarHBondContact CD-OH 3.49Å; P96-Y125 HydrophobicContact CG-CD1 4.48Å; P96-Y125 HydrophobicContact CG-CE1 3.59Å; P96-Y125 HydrophobicContact CG-CE2 4.48Å; P96-Y125 WeakPolarHBondContact CG-OH 3.34Å; P96-W130 HydrophobicContact CB-CH2 4.1Å; P96-W130 HydrophobicContact CB-CZ3 4.17Å; P96-W130 HydrophobicContact CG-CH2 4.28Å; P96-I186 HydrophobicContact CB-CD1 3.61Å; P96-I186 HydrophobicContact CG-CD1 4.12Å
97T91.4Very high88.9Confident73 Ų7354.7 Ų54.745%0.44831%0.312SS..PPolyproline II helixtrans-97.8126.4178.2-57.90000110.2K100 N102T97-K100 HydrophobicContact CG2-CD 3.97Å; T97-K100 HydrophobicContact CG2-CG 4.14Å; T97-K100 PolarHBondContact O-N 2.88Å; T97-N102 PolarHBondContact N-OD1 2.9Å; T97-N102 PolarHBondContact O-ND2 3.42Å
98K87.1Confident89.3Confident138 Ų13854.6 Ų54.660%0.631%0.311SS*.THydrogen-bonded Turntrans-69.7141.1-178.9-164.2172.1-177174.80110.8K100 W130 E185K98-K100 PolarHBondContact O-N 2.84Å; K98-W130 VanDerWaalsContact CA-CZ3 3.49Å; K98-W130 HydrophobicContact CB-CH2 3.54Å; K98-W130 HydrophobicContact CB-CZ2 3.78Å; K98-W130 HydrophobicContact CB-CZ3 4.08Å; K98-W130 HydrophobicContact CD-CZ2 4.4Å; K98-W130 HydrophobicContact CG-CH2 4.08Å; K98-W130 HydrophobicContact CG-CZ2 4.07Å; K98-W130 HydrophobicContact CG-CZ3 4.31Å; K98-E185 WeakPolarHBondContact CG-OE1 3.24Å
99G84.2Confident89.3Confident65 Ų6552 Ų5267%0.6730%0.297SS*.THydrogen-bonded Turntrans75.52-175.600000115.1E185G99-E185 PolarHBondContact N-OE1 3.5Å
100K90.4Very high89.6Confident137 Ų13755.9 Ų55.960%0.59631%0.312SS*.SBendtrans-110.1155.7167.9-66.6-170.4178.8-176.50109.9T97 K98 N102T97-K100 HydrophobicContact CG2-CD 3.97Å; T97-K100 HydrophobicContact CG2-CG 4.14Å; T97-K100 PolarHBondContact O-N 2.88Å; K98-K100 PolarHBondContact O-N 2.84Å; K100-N102 PolarHBondContact O-ND2 3.46Å
101Q92.3Very high89.7Confident77 Ų7754.9 Ų54.936%0.3630%0.301SS..  trans-76122.9168.6-64.6164.7-8.700107.7K180Q101-K180 HydrophobicContact CG-CG 4.31Å; Q101-K180 PolarHBondContact NE2-O 3.48Å; Q101-K180 VanDerWaalsContact OE1-CG 3.26Å
102N95.9Very high90Very high5 Ų551.2 Ų51.23%0.02728%0.279CS..EExtended strand (participates in β ladder)trans-116.3109.4177.6-53.5-98.7000108.6W94 P96 T97 K100 E185 I186 I187 D215W94-N102 HydrophobicContact CH2-CB 3.85Å; W94-N102 HydrophobicContact CZ2-CB 4.12Å; P96-N102 WeakPolarHBondContact CA-OD1 3.26Å; P96-N102 HydrophobicContact CB-CB 4.23Å; T97-N102 PolarHBondContact N-OD1 2.9Å; T97-N102 PolarHBondContact O-ND2 3.42Å; K100-N102 PolarHBondContact O-ND2 3.46Å; N102-E185 WeakPolarHBondContact CB-O 3.14Å; N102-E185 PolarHBondContact N-O 2.93Å; N102-E185 PolarHBondContact ND2-O 3.32Å; N102-I186 HydrophobicContact CB-CD1 4.04Å; N102-I187 PolarHBondContact O-N 3.44Å; N102-D215 WeakPolarHBondContact CA-OD2 3.36Å
103V96.3Very high90.3Very high1 Ų143.6 Ų43.61%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-92.7118.4179.3-176.80000109.3V176 I187 I212 P214 D215 N216V103-V176 HydrophobicContact CG1-CG2 4.12Å; V103-V176 HydrophobicContact CG2-CG1 4.02Å; V103-I187 CarbonylContact C-O 3.59Å; V103-I187 WeakPolarHBondContact CA-O 3.42Å; V103-I187 HydrophobicContact CG2-CB 4.43Å; V103-I187 HydrophobicContact CG2-CD1 4.35Å; V103-I212 HydrophobicContact CG1-CD1 4.18Å; V103-I212 HydrophobicContact CG1-CG1 4.34Å; V103-P214 HydrophobicContact CG1-CB 4.29Å; V103-P214 CarbonylContact O-C 3.55Å; V103-D215 PolarHBondContact N-OD2 3.34Å; V103-D215 PolarHBondContact O-N 3.38Å; V103-N216 PolarHBondContact O-N 2.93Å
104I96.7Very high90.6Very high2 Ų242.6 Ų42.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-117.4115.7-175.7-50.5176.5000109W94 F106 L121 I186 I187 I188 V189 N216 V218W94-I104 HydrophobicContact CH2-CD1 4.02Å; W94-I104 HydrophobicContact CH2-CG1 4.01Å; W94-I104 HydrophobicContact CZ3-CD1 3.93Å; W94-I104 HydrophobicContact CZ3-CG1 4.24Å; I104-F106 HydrophobicContact CB-CE2 4.48Å; I104-F106 HydrophobicContact CG2-CD2 4.01Å; I104-F106 HydrophobicContact CG2-CE2 3.61Å; I104-L121 HydrophobicContact CD1-CD2 4.16Å; I104-I186 HydrophobicContact CD1-CG2 4.12Å; I104-I187 PolarHBondContact N-O 3.34Å; I104-I188 HydrophobicContact CB-CG1 4.28Å; I104-I188 HydrophobicContact CD1-CG1 4.43Å; I104-I188 WeakPolarHBondContact O-CA 3.25Å; I104-V189 PolarHBondContact O-N 2.79Å; I104-N216 WeakPolarHBondContact CA-O 3.36Å; I104-N216 HydrophobicContact CG2-CB 4.47Å; I104-V218 HydrophobicContact CG2-CG2 3.51Å
105M95.7Very high90.8Very high0 Ų039.7 Ų39.70%023%0.231CC..EExtended strand (participates in β ladder)trans-99.5127.5179.2-168.5-179.689.400110.7V107 T191 V208 A209 I212 P214 N216 I217 V218M105-V107 HydrophobicContact CE-CG1 3.47Å; M105-V107 VanDerWaalsContact CE-CG1 3.47Å; M105-T191 HydrophobicContact CG-CG2 3.86Å; M105-T191 HydrophobicContact SD-CG2 4.37Å; M105-V208 HydrophobicContact SD-CG1 3.99Å; M105-A209 HydrophobicContact CE-CB 3.95Å; M105-A209 HydrophobicContact SD-CB 4.01Å; M105-I212 HydrophobicContact CB-CD1 4.2Å; M105-I212 HydrophobicContact CG-CD1 4.16Å; M105-I212 HydrophobicContact SD-CD1 4.01Å; M105-P214 HydrophobicContact CB-CB 3.82Å; M105-P214 HydrophobicContact CB-CG 4.06Å; M105-P214 HydrophobicContact SD-CG 4.38Å; M105-N216 PolarHBondContact N-O 3.4Å; M105-I217 HydrophobicContact CB-CG1 4.46Å; M105-I217 HydrophobicContact CE-CD1 4.02Å; M105-I217 HydrophobicContact CE-CG1 4.2Å; M105-I217 HydrophobicContact CE-CG2 4.1Å; M105-I217 WeakPolarHBondContact O-CA 3.49Å; M105-V218 PolarHBondContact O-N 3.33Å
106F95.1Very high91Very high0 Ų037.7 Ų37.70%022%0.219CC..EExtended strand (participates in β ladder)trans-99.5125-179.8-85.8-119.3000110.8I104 T117 C118 L121 I188 V189 T191 V218 V220 I246I104-F106 HydrophobicContact CB-CE2 4.48Å; I104-F106 HydrophobicContact CG2-CD2 4.01Å; I104-F106 HydrophobicContact CG2-CE2 3.61Å; F106-T117 HydrophobicContact CE1-CG2 3.72Å; F106-C118 WeakPolarHBondContact CD1-SG 2.92Å; F106-C118 WeakPolarHBondContact CG-SG 3.07Å; F106-L121 HydrophobicContact CE2-CD2 3.71Å; F106-L121 HydrophobicContact CZ-CB 4.25Å; F106-L121 HydrophobicContact CZ-CD2 3.49Å; F106-L121 VanDerWaalsContact CZ-CD2 3.49Å; F106-L121 HydrophobicContact CZ-CG 4.46Å; F106-I188 HydrophobicContact CD2-CG2 3.84Å; F106-I188 HydrophobicContact CE2-CG2 3.78Å; F106-V189 PolarHBondContact N-O 3.23Å; F106-T191 WeakPolarHBondContact O-CB 3.46Å; F106-T191 PolarHBondContact O-OG1 2.88Å; F106-V218 HydrophobicContact CD2-CB 4.32Å; F106-V218 HydrophobicContact CE1-CG1 4.23Å; F106-V218 HydrophobicContact CE2-CB 4.28Å; F106-V218 HydrophobicContact CE2-CG2 4.27Å; F106-V218 HydrophobicContact CG-CB 4.48Å; F106-V218 HydrophobicContact CZ-CB 4.4Å; F106-V218 HydrophobicContact CZ-CG1 4.3Å; F106-V220 HydrophobicContact CD1-CG2 3.38Å; F106-V220 HydrophobicContact CE1-CG2 3.75Å; F106-V220 HydrophobicContact CG-CG2 4.43Å; F106-I246 HydrophobicContact CE1-CD1 3.99Å; F106-I246 HydrophobicContact CZ-CD1 4.05Å
107V92Very high91.1Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-125.5159.1177.2-62.60000111.3M105 M205 I217 V218 Y219 V220 F236 V240 V242M105-V107 HydrophobicContact CE-CG1 3.47Å; M105-V107 VanDerWaalsContact CE-CG1 3.47Å; V107-M205 HydrophobicContact CB-SD 4.3Å; V107-M205 HydrophobicContact CG1-CE 4.5Å; V107-M205 HydrophobicContact CG1-SD 4.04Å; V107-I217 HydrophobicContact CG1-CG2 4.18Å; V107-I217 HydrophobicContact CG2-CG2 3.72Å; V107-V218 PolarHBondContact N-O 3.26Å; V107-Y219 HydrophobicContact CG2-CD2 4.4Å; V107-Y219 WeakPolarHBondContact O-CA 3.48Å; V107-V220 PolarHBondContact O-N 2.9Å; V107-F236 HydrophobicContact CB-CD1 4.28Å; V107-F236 HydrophobicContact CB-CE1 4.31Å; V107-F236 HydrophobicContact CG2-CD1 4.26Å; V107-V240 HydrophobicContact CG2-CG2 4.45Å; V107-V242 HydrophobicContact CG2-CG2 4.48Å
108G89.1Confident91.3Very high0 Ų033.6 Ų33.60%019%0.193CC..  trans146.7173.3176.900000113.4K114 G193G108-K114 PolarHBondContact O-NZ 3.35Å; G108-G193 WeakPolarHBondContact O-CA 3.29Å
109L84.7Confident91.7Very high14 Ų1427.1 Ų27.17%0.07317%0.166CC..  trans-64.3163.4-174.2-66.1-169.7000113.6G111 S112 K114 R194 K196 I225 Q232 F236L109-G111 PolarHBondContact O-N 3.26Å; L109-S112 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-OG 3.42Å; L109-S112 VanDerWaalsContact O-OG 3.1Å; L109-K114 PolarHBondContact O-NZ 2.96Å; L109-R194 VanDerWaalsContact CD2-O 3.22Å; L109-R194 WeakPolarHBondContact CD2-O 3.45Å; L109-K196 HydrophobicContact CD2-CG 3.91Å; L109-I225 HydrophobicContact CD1-CD1 4.44Å; L109-Q232 HydrophobicContact CD1-CG 3.93Å; L109-Q232 VanDerWaalsContact CD1-NE2 3.31Å; L109-F236 HydrophobicContact CD2-CE2 3.91Å; L109-F236 HydrophobicContact CD2-CZ 4.24Å; L109-F236 HydrophobicContact CG-CE2 4.4Å
110Q85.6Confident92.3Very high125 Ų12524.4 Ų24.458%0.58414%0.135SC*.THydrogen-bonded Turntrans-57.7137.7168.4-159.6176.6-4.900110.6S112 G193Q110-S112 PolarHBondContact O-N 3.44Å; Q110-G193 VanDerWaalsContact CB-O 3.26Å; Q110-G193 WeakPolarHBondContact CB-O 3.32Å; Q110-G193 WeakPolarHBondContact CG-O 3.31Å
111G85.9Confident92.5Very high47 Ų4718 Ų1849%0.48511%0.108SC..THydrogen-bonded Turntrans72.54.4176.600000115.6L109 G113 K249L109-G111 PolarHBondContact O-N 3.26Å; G111-G113 PolarHBondContact O-N 2.78Å; G111-K249 WeakPolarHBondContact O-CE 3.48Å; G111-K249 PolarHBondContact O-NZ 3.18Å
112S87.2Confident92.7Very high3 Ų314.3 Ų14.32%0.0219%0.09CC..SBendtrans-72.6-6.8176.972.50000114.3L109 Q110 V220 T248L109-S112 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-OG 3.42Å; L109-S112 VanDerWaalsContact O-OG 3.1Å; Q110-S112 PolarHBondContact O-N 3.44Å; S112-V220 WeakPolarHBondContact CB-O 3.29Å; S112-V220 PolarHBondContact OG-O 3.38Å; S112-T248 WeakPolarHBondContact O-CG2 3.48Å; S112-T248 PolarHBondContact O-OG1 3.23Å
113G90.2Very high92.6Very high22 Ų2216.8 Ų16.823%0.22710%0.1CC..SBendtrans97.98.7178.600000115.4G111 T115 T116 T117G111-G113 PolarHBondContact O-N 2.78Å; G113-T115 PolarHBondContact O-N 2.93Å; G113-T116 PolarHBondContact O-N 3.28Å; G113-T116 VanDerWaalsContact O-N 3.12Å; G113-T117 PolarHBondContact O-N 3.39Å; G113-T117 PolarHBondContact O-OG1 3.48Å; G113-T117 VanDerWaalsContact O-OG1 3.05Å
114K93.1Very high92.5Very high13 Ų1318.6 Ų18.66%0.05711%0.107CC..Hα-helixtrans-41.6-63.9-178.8-66.7-167.1-57.7-69.20114.6G108 L109 T116 T117 C118 D190 T191 V220G108-K114 PolarHBondContact O-NZ 3.35Å; L109-K114 PolarHBondContact O-NZ 2.96Å; K114-T116 VanDerWaalsContact C-N 3.27Å; K114-T116 PolarHBondContact O-N 3.41Å; K114-T117 CarbonylContact O-C 3.29Å; K114-T117 WeakPolarHBondContact O-CA 3.32Å; K114-T117 PolarHBondContact O-N 3.28Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 3Å; K114-D190 WeakPolarHBondContact CB-OD1 3.43Å; K114-T191 WeakPolarHBondContact CE-O 3.47Å; K114-V220 HydrophobicContact CG-CB 3.95Å; K114-V220 HydrophobicContact CG-CG1 4.5Å; K114-V220 HydrophobicContact CG-CG2 4.21Å
115T92.9Very high92.4Very high6 Ų619.8 Ų19.84%0.03711%0.111CC..Hα-helixtrans-53.6-41.9-178.5-480000113.3G113 S119 R141 Q147 L148 D190G113-T115 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-N 3.17Å; T115-S119 PolarHBondContact O-OG 3.29Å; T115-S119 VanDerWaalsContact O-OG 3.07Å; T115-R141 PolarHBondContact OG1-NH2 2.84Å; T115-Q147 HydrophobicContact CG2-CG 4.28Å; T115-L148 HydrophobicContact CG2-CB 3.91Å; T115-L148 HydrophobicContact CG2-CD1 4.46Å; T115-D190 WeakPolarHBondContact CA-OD2 3.41Å; T115-D190 WeakPolarHBondContact CB-OD2 3.35Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.33Å; T115-D190 PolarHBondContact N-OD1 2.74Å; T115-D190 PolarHBondContact OG1-OD2 3.15Å
116T92.9Very high92.3Very high46 Ų4622.6 Ų22.628%0.28212%0.124SC..Hα-helixtrans-68.1-45.2177.3-54.30000110.7G113 K114 S119 K120G113-T116 PolarHBondContact O-N 3.28Å; G113-T116 VanDerWaalsContact O-N 3.12Å; K114-T116 VanDerWaalsContact C-N 3.27Å; K114-T116 PolarHBondContact O-N 3.41Å; T116-S119 WeakPolarHBondContact O-CB 3.46Å; T116-S119 PolarHBondContact O-N 3.23Å; T116-K120 HydrophobicContact CG2-CD 4.18Å; T116-K120 WeakPolarHBondContact O-CG 3.35Å; T116-K120 PolarHBondContact O-N 2.82Å
117T95.1Very high92Very high4 Ų430 Ų303%0.02515%0.153CC..Hα-helixtrans-64.9-38.3178.7-56.80000112.2F106 G113 K114 S119 K120 L121 V220 I246 T248 F282F106-T117 HydrophobicContact CE1-CG2 3.72Å; G113-T117 PolarHBondContact O-N 3.39Å; G113-T117 PolarHBondContact O-OG1 3.48Å; G113-T117 VanDerWaalsContact O-OG1 3.05Å; K114-T117 CarbonylContact O-C 3.29Å; K114-T117 WeakPolarHBondContact O-CA 3.32Å; K114-T117 PolarHBondContact O-N 3.28Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 3.44Å; T117-K120 PolarHBondContact O-N 2.97Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 PolarHBondContact O-N 2.89Å; T117-V220 HydrophobicContact CG2-CG2 4.42Å; T117-I246 HydrophobicContact CG2-CB 4.36Å; T117-I246 HydrophobicContact CG2-CD1 3.79Å; T117-I246 HydrophobicContact CG2-CG2 3.66Å; T117-T248 VanDerWaalsContact OG1-CG2 3.31Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.33Å; T117-F282 HydrophobicContact CG2-CE2 3.82Å; T117-F282 HydrophobicContact CG2-CZ 4.18Å
118C95.9Very high91.9Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-55.9-48.3173.4-66.70000110.6F106 K114 K120 L121 A122 L134 I188 D190F106-C118 WeakPolarHBondContact CD1-SG 2.92Å; F106-C118 WeakPolarHBondContact CG-SG 3.07Å; K114-C118 PolarHBondContact O-N 2.96Å; K114-C118 PolarHBondContact O-SG 3Å; C118-K120 PolarHBondContact O-N 3.02Å; C118-L121 PolarHBondContact O-N 3.15Å; C118-A122 WeakPolarHBondContact O-CB 3.38Å; C118-A122 PolarHBondContact O-N 3.32Å; C118-L134 HydrophobicContact CB-CD2 4Å; C118-I188 HydrophobicContact CB-CG2 3.73Å; C118-D190 HydrophobicContact CB-CB 4.49Å
119S95.2Very high92Very high3 Ų337.6 Ų37.62%0.02120%0.201CC..Hα-helixtrans-63.3-42178.6-54.50000112T115 T116 T117 Y123 N151T115-S119 PolarHBondContact O-N 3.17Å; T115-S119 PolarHBondContact O-OG 3.29Å; T115-S119 VanDerWaalsContact O-OG 3.07Å; T116-S119 WeakPolarHBondContact O-CB 3.46Å; T116-S119 PolarHBondContact O-N 3.23Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 3.44Å; S119-Y123 WeakPolarHBondContact O-CB 3.31Å; S119-Y123 PolarHBondContact O-N 2.95Å; S119-N151 WeakPolarHBondContact OG-CB 3.39Å
120K95.4Very high92.5Very high7 Ų738.5 Ų38.53%0.0320%0.204CC..Hα-helixtrans-63.5-45.3176.7-72.6174.3169.6-141.50112.6T116 T117 C118 Y123 Y124 G276 H278 I279 D281 F282T116-K120 HydrophobicContact CG2-CD 4.18Å; T116-K120 WeakPolarHBondContact O-CG 3.35Å; T116-K120 PolarHBondContact O-N 2.82Å; T117-K120 PolarHBondContact O-N 2.97Å; C118-K120 PolarHBondContact O-N 3.02Å; K120-Y123 PolarHBondContact O-N 3.29Å; K120-Y124 WeakPolarHBondContact O-CB 3.43Å; K120-Y124 PolarHBondContact O-N 2.87Å; K120-G276 PolarHBondContact NZ-O 3.5Å; K120-H278 WeakPolarHBondContact CE-O 3.34Å; K120-H278 PolarHBondContact NZ-O 3.37Å; K120-I279 HydrophobicContact CG-CG1 4.49Å; K120-D281 PolarHBondContact NZ-O 3.24Å; K120-F282 HydrophobicContact CB-CB 3.9Å; K120-F282 HydrophobicContact CB-CD1 3.97Å; K120-F282 HydrophobicContact CB-CD2 4Å; K120-F282 HydrophobicContact CB-CE1 4.5Å; K120-F282 HydrophobicContact CB-CG 3.69Å; K120-F282 HydrophobicContact CD-CB 4.09Å; K120-F282 HydrophobicContact CD-CD2 4.16Å; K120-F282 HydrophobicContact CD-CG 4.33Å; K120-F282 HydrophobicContact CG-CB 4.27Å; K120-F282 HydrophobicContact CG-CG 4.48Å
121L95.7Very high92.9Very high3 Ų338.3 Ų38.32%0.01620%0.201CC..Hα-helixtrans-63.6-45.9178.1-172.970.7000111.2I104 F106 T117 C118 Y123 Y124 Y125 I188 F272 F282I104-L121 HydrophobicContact CD1-CD2 4.16Å; F106-L121 HydrophobicContact CE2-CD2 3.71Å; F106-L121 HydrophobicContact CZ-CB 4.25Å; F106-L121 HydrophobicContact CZ-CD2 3.49Å; F106-L121 VanDerWaalsContact CZ-CD2 3.49Å; F106-L121 HydrophobicContact CZ-CG 4.46Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 PolarHBondContact O-N 2.89Å; C118-L121 PolarHBondContact O-N 3.15Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 2.99Å; L121-Y124 PolarHBondContact O-N 3.48Å; L121-Y125 HydrophobicContact CD1-CD2 4.05Å; L121-Y125 HydrophobicContact CD1-CE2 3.54Å; L121-Y125 HydrophobicContact CD2-CE2 4.39Å; L121-Y125 HydrophobicContact CG-CD2 4.01Å; L121-Y125 HydrophobicContact CG-CE2 3.86Å; L121-Y125 WeakPolarHBondContact O-CD2 3.46Å; L121-Y125 PolarHBondContact O-N 3.4Å; L121-Y125 VanDerWaalsContact O-N 3.13Å; L121-I188 HydrophobicContact CB-CD1 4.19Å; L121-I188 HydrophobicContact CD2-CD1 4Å; L121-I188 HydrophobicContact CD2-CG1 4.38Å; L121-I188 HydrophobicContact CG-CD1 4.15Å; L121-F272 HydrophobicContact CD1-CD2 3.86Å; L121-F272 HydrophobicContact CD1-CE1 4.42Å; L121-F272 HydrophobicContact CD1-CE2 3.53Å; L121-F272 HydrophobicContact CD1-CG 4.47Å; L121-F272 HydrophobicContact CD1-CZ 3.85Å; L121-F282 HydrophobicContact CB-CE1 4.04Å; L121-F282 HydrophobicContact CB-CZ 4.25Å; L121-F282 HydrophobicContact CD1-CE1 3.68Å; L121-F282 HydrophobicContact CD1-CZ 4.01Å
122A95.6Very high93.4Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-60.6-41.7177.500000111.7C118 Q126 T132 L134 I157 I188C118-A122 WeakPolarHBondContact O-CB 3.38Å; C118-A122 PolarHBondContact O-N 3.32Å; A122-Q126 VanDerWaalsContact O-CB 3.3Å; A122-Q126 WeakPolarHBondContact O-CB 3.29Å; A122-Q126 PolarHBondContact O-N 3.47Å; A122-T132 VanDerWaalsContact O-CG2 3.32Å; A122-T132 WeakPolarHBondContact O-CG2 3.24Å; A122-T132 PolarHBondContact O-OG1 3.36Å; A122-T132 VanDerWaalsContact O-OG1 3.05Å; A122-L134 HydrophobicContact CB-CD2 3.77Å; A122-L134 HydrophobicContact CB-CG 4.15Å; A122-I157 HydrophobicContact CB-CD1 3.64Å; A122-I157 HydrophobicContact CB-CG2 4.2Å; A122-I188 HydrophobicContact CB-CD1 3.65Å
123Y94.8Very high93.9Very high56 Ų5636.1 Ų36.122%0.2218%0.178CC..Hα-helixtrans-66.6-42.4176.7-176.3-112.6000112.6S119 K120 L121 Y125 Q126 R127 A155 I279 D280S119-Y123 WeakPolarHBondContact O-CB 3.31Å; S119-Y123 PolarHBondContact O-N 2.95Å; K120-Y123 PolarHBondContact O-N 3.29Å; L121-Y123 VanDerWaalsContact C-N 3.31Å; L121-Y123 PolarHBondContact O-N 2.99Å; Y123-Y125 PolarHBondContact O-N 3.03Å; Y123-Q126 WeakPolarHBondContact O-CB 3.44Å; Y123-Q126 PolarHBondContact O-N 3.26Å; Y123-R127 VanDerWaalsContact CE1-CD 3.44Å; Y123-R127 HydrophobicContact CE1-CG 4.14Å; Y123-R127 HydrophobicContact CE2-CG 4.27Å; Y123-R127 WeakPolarHBondContact O-CG 3.47Å; Y123-R127 PolarHBondContact O-N 2.77Å; Y123-A155 HydrophobicContact CD2-CB 4.1Å; Y123-I279 HydrophobicContact CD1-CB 4.47Å; Y123-I279 HydrophobicContact CD1-CD1 3.91Å; Y123-I279 HydrophobicContact CD1-CG1 3.69Å; Y123-I279 HydrophobicContact CD1-CG2 4.15Å; Y123-I279 HydrophobicContact CD2-CD1 3.93Å; Y123-I279 HydrophobicContact CE1-CG1 4.38Å; Y123-I279 HydrophobicContact CE1-CG2 3.97Å; Y123-I279 HydrophobicContact CG-CD1 3.56Å; Y123-I279 HydrophobicContact CG-CG1 3.82Å; Y123-D280 WeakPolarHBondContact CE1-OD1 3.18Å
124Y94.1Very high94.2Very high40 Ų4035.1 Ų35.116%0.15717%0.168CC..Hα-helixtrans-57.2-46.5176.4170.5-94.3000112.1K120 L121 K128 F272 P284K120-Y124 WeakPolarHBondContact O-CB 3.43Å; K120-Y124 PolarHBondContact O-N 2.87Å; L121-Y124 PolarHBondContact O-N 3.48Å; Y124-K128 HydrophobicContact CE1-CD 4.12Å; Y124-K128 VanDerWaalsContact CZ-NZ 3.32Å; Y124-K128 PolarHBondContact O-N 3.07Å; Y124-K128 WeakPolarHBondContact OH-CE 3.24Å; Y124-K128 PolarHBondContact OH-NZ 3.35Å; Y124-F272 AromaticContact CD1-CE1 3.8Å; Y124-F272 HydrophobicContact CD1-CE1 3.8Å; Y124-F272 AromaticContact CD1-CZ 3.78Å; Y124-F272 HydrophobicContact CD1-CZ 3.78Å; Y124-F272 HydrophobicContact CD2-CE1 4.28Å; Y124-F272 AromaticContact CE1-CE1 3.59Å; Y124-F272 HydrophobicContact CE1-CE1 3.59Å; Y124-F272 AromaticContact CE1-CZ 3.45Å; Y124-F272 HydrophobicContact CE1-CZ 3.45Å; Y124-F272 VanDerWaalsContact CE1-CZ 3.45Å; Y124-F272 HydrophobicContact CE2-CE1 4.11Å; Y124-F272 HydrophobicContact CG-CE1 4.12Å; Y124-F272 AromaticContact CZ-CE1 3.71Å; Y124-F272 AromaticContact CZ-CZ 3.97Å; Y124-P284 HydrophobicContact CE2-CG 3.87Å; Y124-P284 WeakPolarHBondContact OH-CG 3.32Å
125Y94.2Very high94.4Very high27 Ų2734.5 Ų34.511%0.10617%0.165CC..Hα-helixtrans-72.6-33.5176.7-76.1-67.5000112.8P96 L121 Y123 R127 K128 G129 W130 I186P96-Y125 WeakPolarHBondContact CD-OH 3.49Å; P96-Y125 HydrophobicContact CG-CD1 4.48Å; P96-Y125 HydrophobicContact CG-CE1 3.59Å; P96-Y125 HydrophobicContact CG-CE2 4.48Å; P96-Y125 WeakPolarHBondContact CG-OH 3.34Å; L121-Y125 HydrophobicContact CD1-CD2 4.05Å; L121-Y125 HydrophobicContact CD1-CE2 3.54Å; L121-Y125 HydrophobicContact CD2-CE2 4.39Å; L121-Y125 HydrophobicContact CG-CD2 4.01Å; L121-Y125 HydrophobicContact CG-CE2 3.86Å; L121-Y125 WeakPolarHBondContact O-CD2 3.46Å; L121-Y125 PolarHBondContact O-N 3.4Å; L121-Y125 VanDerWaalsContact O-N 3.13Å; Y123-Y125 PolarHBondContact O-N 3.03Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 2.85Å; Y125-K128 CarbonylContact O-C 3.5Å; Y125-K128 WeakPolarHBondContact O-CA 3.37Å; Y125-K128 WeakPolarHBondContact O-CB 3.42Å; Y125-K128 PolarHBondContact O-N 3.14Å; Y125-G129 PolarHBondContact O-N 3.29Å; Y125-W130 HydrophobicContact CD1-CG 4.42Å; Y125-W130 WeakPolarHBondContact O-CB 3.32Å; Y125-W130 PolarHBondContact O-N 3.16Å; Y125-W130 VanDerWaalsContact O-N 3.14Å; Y125-I186 HydrophobicContact CD2-CG2 4.42Å; Y125-I186 HydrophobicContact CG-CG1 4.25Å
126Q93.2Very high94.5Very high58 Ų5834.4 Ų34.427%0.27116%0.164SC..Hα-helixtrans-59.5-43.6174.6-171.8-171.955.400111A122 Y123 K128 G129 A155 R156A122-Q126 VanDerWaalsContact O-CB 3.3Å; A122-Q126 WeakPolarHBondContact O-CB 3.29Å; A122-Q126 PolarHBondContact O-N 3.47Å; Y123-Q126 WeakPolarHBondContact O-CB 3.44Å; Y123-Q126 PolarHBondContact O-N 3.26Å; Q126-K128 PolarHBondContact O-N 3Å; Q126-G129 PolarHBondContact O-N 3Å; Q126-A155 PolarHBondContact OE1-O 2.62Å; Q126-A155 VanDerWaalsContact OE1-O 3.14Å; Q126-R156 PolarHBondContact NE2-O 3.19Å
127R90.1Very high94.5Very high157 Ų15732.2 Ų32.259%0.59215%0.151SC*.Hα-helixtrans-60.7-26.1174.4-74.4-176.860.2-175-7.1113.3Y123 Y125 G129 D280Y123-R127 VanDerWaalsContact CE1-CD 3.44Å; Y123-R127 HydrophobicContact CE1-CG 4.14Å; Y123-R127 HydrophobicContact CE2-CG 4.27Å; Y123-R127 WeakPolarHBondContact O-CG 3.47Å; Y123-R127 PolarHBondContact O-N 2.77Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 2.85Å; R127-G129 VanDerWaalsContact C-N 3.26Å; R127-D280 IonicContact NH1-OD1 3.91Å; R127-D280 PolarHBondContact NH1-OD1 3.11Å
128K89.5Confident94.4Very high101 Ų10132.8 Ų32.844%0.43915%0.154SC..THydrogen-bonded Turntrans-855.2174.2-65.4-171.2174.5-159.80113.7Y124 Y125 Q126Y124-K128 HydrophobicContact CE1-CD 4.12Å; Y124-K128 VanDerWaalsContact CZ-NZ 3.32Å; Y124-K128 PolarHBondContact O-N 3.07Å; Y124-K128 WeakPolarHBondContact OH-CE 3.24Å; Y124-K128 PolarHBondContact OH-NZ 3.35Å; Y125-K128 CarbonylContact O-C 3.5Å; Y125-K128 WeakPolarHBondContact O-CA 3.37Å; Y125-K128 WeakPolarHBondContact O-CB 3.42Å; Y125-K128 PolarHBondContact O-N 3.14Å; Q126-K128 PolarHBondContact O-N 3Å
129G91.1Very high94Very high57 Ų5735.2 Ų35.259%0.58817%0.169SC*.THydrogen-bonded Turntrans82.920.5177.800000114.7Y125 Q126 R127Y125-G129 PolarHBondContact O-N 3.29Å; Q126-G129 PolarHBondContact O-N 3Å; R127-G129 VanDerWaalsContact C-N 3.26Å
130W94.2Very high93.5Very high34 Ų3440.5 Ų40.513%0.12919%0.192CC..  trans-89.1147.8174.4-63.966.4000110.9P96 K98 Y125 T132 E185 I186P96-W130 HydrophobicContact CB-CH2 4.1Å; P96-W130 HydrophobicContact CB-CZ3 4.17Å; P96-W130 HydrophobicContact CG-CH2 4.28Å; K98-W130 VanDerWaalsContact CA-CZ3 3.49Å; K98-W130 HydrophobicContact CB-CH2 3.54Å; K98-W130 HydrophobicContact CB-CZ2 3.78Å; K98-W130 HydrophobicContact CB-CZ3 4.08Å; K98-W130 HydrophobicContact CD-CZ2 4.4Å; K98-W130 HydrophobicContact CG-CH2 4.08Å; K98-W130 HydrophobicContact CG-CZ2 4.07Å; K98-W130 HydrophobicContact CG-CZ3 4.31Å; Y125-W130 HydrophobicContact CD1-CG 4.42Å; Y125-W130 WeakPolarHBondContact O-CB 3.32Å; Y125-W130 PolarHBondContact O-N 3.16Å; Y125-W130 VanDerWaalsContact O-N 3.14Å; W130-T132 HydrophobicContact CB-CG2 4.25Å; W130-T132 PolarHBondContact O-N 3.47Å; W130-E185 WeakPolarHBondContact CA-OE2 3.42Å; W130-E185 HydrophobicContact CE3-CB 3.7Å; W130-E185 HydrophobicContact CE3-CG 4.45Å; W130-E185 HydrophobicContact CZ3-CB 4.28Å; W130-I186 HydrophobicContact CB-CG1 4.25Å; W130-I186 HydrophobicContact CD2-CD1 4.5Å; W130-I186 HydrophobicContact CD2-CG1 4.32Å; W130-I186 HydrophobicContact CE3-CD1 3.71Å; W130-I186 HydrophobicContact CE3-CG1 3.77Å; W130-I186 HydrophobicContact CZ3-CD1 3.87Å; W130-I186 HydrophobicContact CZ3-CG1 4.43Å
131K94.7Very high93Very high120 Ų12043.8 Ų43.852%0.52220%0.204SC..  trans-80.6109.2169.3-68.8-174.1-179.8-178.40110.1F184 E185 I186K131-F184 HydrophobicContact CB-CD1 3.93Å; K131-F184 HydrophobicContact CB-CE1 4.39Å; K131-F184 HydrophobicContact CB-CG 4.4Å; K131-E185 PolarHBondContact N-OE2 2.89Å; K131-E185 PolarHBondContact O-N 2.68Å; K131-I186 PolarHBondContact O-N 3.19Å
132T96.7Very high92.5Very high4 Ų448.4 Ų48.43%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-113.9146.9-176.260.30000111.9A122 W130 F184 I186A122-T132 VanDerWaalsContact O-CG2 3.32Å; A122-T132 WeakPolarHBondContact O-CG2 3.24Å; A122-T132 PolarHBondContact O-OG1 3.36Å; A122-T132 VanDerWaalsContact O-OG1 3.05Å; W130-T132 HydrophobicContact CB-CG2 4.25Å; W130-T132 PolarHBondContact O-N 3.47Å; T132-F184 WeakPolarHBondContact O-CD1 3.31Å; T132-F184 VanDerWaalsContact O-CE1 3.28Å; T132-F184 WeakPolarHBondContact O-CE1 3.5Å; T132-I186 WeakPolarHBondContact CA-O 3.28Å; T132-I186 HydrophobicContact CG2-CB 3.65Å; T132-I186 HydrophobicContact CG2-CG1 4.01Å; T132-I186 HydrophobicContact CG2-CG2 4.05Å
133C96.8Very high92.2Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-142.4163.5174.262.50000111.8P158 F179 F184 I186 I188C133-P158 VanDerWaalsContact CA-O 3.3Å; C133-P158 WeakPolarHBondContact CA-O 3.42Å; C133-P158 HydrophobicContact CB-CB 4.4Å; C133-F179 HydrophobicContact CB-CD1 3.73Å; C133-F179 HydrophobicContact CB-CD2 3.81Å; C133-F179 HydrophobicContact CB-CE1 3.7Å; C133-F179 HydrophobicContact CB-CE2 3.76Å; C133-F179 HydrophobicContact CB-CG 3.8Å; C133-F179 HydrophobicContact CB-CZ 3.71Å; C133-F179 VanDerWaalsContact SG-CB 3.56Å; C133-F179 WeakPolarHBondContact SG-CD2 3.34Å; C133-F179 WeakPolarHBondContact SG-CG 3.4Å; C133-F184 HydrophobicContact CB-CD1 3.72Å; C133-F184 HydrophobicContact CB-CE1 3.98Å; C133-F184 HydrophobicContact CB-CG 4.23Å; C133-I186 PolarHBondContact N-O 3.07Å; C133-I188 PolarHBondContact O-N 3.31Å; C133-I188 VanDerWaalsContact O-N 3.14Å
134L97.4Very high92Very high1 Ų147.6 Ų47.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-124.1134.9-179.1-65.3170.6000111C118 A122 L148 A152 I157 P158 F159 Y160 I188C118-L134 HydrophobicContact CB-CD2 4Å; A122-L134 HydrophobicContact CB-CD2 3.77Å; A122-L134 HydrophobicContact CB-CG 4.15Å; L134-L148 HydrophobicContact CB-CD1 4.37Å; L134-L148 HydrophobicContact CB-CD2 3.97Å; L134-L148 HydrophobicContact CB-CG 4.44Å; L134-A152 HydrophobicContact CD1-CB 3.82Å; L134-I157 HydrophobicContact CD1-CB 4.47Å; L134-I157 HydrophobicContact CD1-CG2 4.06Å; L134-I157 HydrophobicContact CG-CG2 3.95Å; L134-P158 PolarHBondContact N-O 3.04Å; L134-F159 HydrophobicContact CB-CB 4.34Å; L134-F159 CarbonylContact O-C 3.43Å; L134-F159 WeakPolarHBondContact O-CA 3.17Å; L134-Y160 PolarHBondContact O-N 3.35Å; L134-I188 CarbonylContact C-O 3.56Å; L134-I188 WeakPolarHBondContact CA-O 3.32Å; L134-I188 HydrophobicContact CD2-CB 3.98Å; L134-I188 HydrophobicContact CD2-CD1 4.45Å; L134-I188 HydrophobicContact CD2-CG2 3.93Å
135I96.8Very high91.9Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-119.3125.4173.8-62.4160.6000108Y160 I171 V176 F179 I187 I188 V189 D190I135-Y160 WeakPolarHBondContact CA-O 3.12Å; I135-Y160 HydrophobicContact CG2-CD1 4.22Å; I135-I171 HydrophobicContact CG2-CG2 4.44Å; I135-V176 HydrophobicContact CD1-CB 4.4Å; I135-V176 HydrophobicContact CD1-CG2 3.67Å; I135-F179 HydrophobicContact CD1-CD2 4.05Å; I135-F179 HydrophobicContact CG1-CD2 3.87Å; I135-F179 HydrophobicContact CG1-CE2 3.83Å; I135-I187 HydrophobicContact CD1-CG2 3.52Å; I135-I188 PolarHBondContact N-O 2.8Å; I135-V189 HydrophobicContact CB-CG2 4.25Å; I135-V189 HydrophobicContact CD1-CG2 3.96Å; I135-V189 HydrophobicContact CG2-CG1 4.47Å; I135-D190 PolarHBondContact O-N 2.88Å
136C95.8Very high91.8Very high4 Ų448.6 Ų48.63%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-94.4104.2174.4-166.10000109.8F145 L148 Y160 I171C136-F145 HydrophobicContact CB-CD2 3.67Å; C136-F145 HydrophobicContact CB-CE2 4.41Å; C136-L148 HydrophobicContact CB-CB 4.48Å; C136-L148 HydrophobicContact CB-CD1 3.85Å; C136-L148 HydrophobicContact CB-CD2 4.3Å; C136-L148 HydrophobicContact CB-CG 4.43Å; C136-Y160 PolarHBondContact N-O 3.47Å; C136-I171 VanDerWaalsContact O-CG2 3.25Å; C136-I171 WeakPolarHBondContact O-CG2 3.31Å
137A93.4Very high91.8Very high1 Ų149.2 Ų49.21%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-102.215.1171.900000111.8T139 P168 A172 V189 D190A137-T139 PolarHBondContact O-N 2.69Å; A137-P168 HydrophobicContact CB-CB 4.28Å; A137-P168 WeakPolarHBondContact O-CB 3.35Å; A137-A172 HydrophobicContact CB-CB 4.26Å; A137-V189 HydrophobicContact CB-CG1 3.98Å; A137-D190 CarbonylContact C-O 3.54Å; A137-D190 WeakPolarHBondContact CA-O 3.44Å; A137-D190 PolarHBondContact N-O 3.48Å
138D91.3Very high92Very high15 Ų1541.7 Ų41.78%0.0824%0.235CC..  trans-86.288.9172.5-173.8-2.4000109.8F140 R141 A144 D190D138-F140 PolarHBondContact OD1-N 2.69Å; D138-R141 PolarHBondContact OD1-N 2.65Å; D138-R141 WeakPolarHBondContact OD2-CB 3.44Å; D138-R141 IonicContact OD2-NE 3.45Å; D138-A144 HydrophobicContact CB-CB 3.87Å; D138-D190 PolarHBondContact N-O 2.97Å
139T87.3Confident92.2Very high52 Ų5240.5 Ų40.532%0.31923%0.229SC..  trans-87.9-7.917758.90000113A137 M166 I171A137-T139 PolarHBondContact O-N 2.69Å; T139-M166 VanDerWaalsContact CB-O 3.32Å; T139-M166 WeakPolarHBondContact CB-O 3.31Å; T139-M166 WeakPolarHBondContact CG2-O 3.33Å; T139-M166 PolarHBondContact OG1-O 3.28Å; T139-I171 HydrophobicContact CG2-CD1 3.39Å
140F84.8Confident92.4Very high114 Ų11443.1 Ų43.150%0.523%0.227SC..SBendtrans-90.2-41.7-174.9-173.8-99.2000112.7D138D138-F140 PolarHBondContact OD1-N 2.69Å
141R85.8Confident92.3Very high75 Ų7543.2 Ų43.228%0.28323%0.23SC..SBendtrans-84121.3-177.4-176.3-176.275.3-175.6-10.3111.3T115 D138 G143 A144 Q147T115-R141 PolarHBondContact OG1-NH2 2.84Å; D138-R141 PolarHBondContact OD1-N 2.65Å; D138-R141 WeakPolarHBondContact OD2-CB 3.44Å; D138-R141 IonicContact OD2-NE 3.45Å; R141-G143 PolarHBondContact O-N 3.46Å; R141-A144 HydrophobicContact CB-CB 4.09Å; R141-A144 VanDerWaalsContact O-CB 3.26Å; R141-A144 WeakPolarHBondContact O-CB 3.4Å; R141-A144 PolarHBondContact O-N 3.19Å; R141-A144 VanDerWaalsContact O-N 3.08Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.27Å
142A85.8Confident92.2Very high100 Ų10037.5 Ų37.583%0.82621%0.205SC*.THydrogen-bonded Turntrans-54.9128.3173.100000111.9A144A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.19Å
143G88.2Confident92.1Very high38 Ų3841.4 Ų41.439%0.39223%0.228SC..THydrogen-bonded Turntrans72.99.8179.900000115.2R141 F145 D146 Q147R141-G143 PolarHBondContact O-N 3.46Å; G143-F145 VanDerWaalsContact C-N 3.34Å; G143-F145 PolarHBondContact O-N 3.16Å; G143-D146 PolarHBondContact O-N 3.25Å; G143-Q147 PolarHBondContact O-N 2.91Å
144A90.1Very high91.8Very high1 Ų149.1 Ų49.11%0.00826%0.262CS..Hα-helixtrans-59.5-45176.600000112.1D138 R141 A142 D146 Q147 L148D138-A144 HydrophobicContact CB-CB 3.87Å; R141-A144 HydrophobicContact CB-CB 4.09Å; R141-A144 VanDerWaalsContact O-CB 3.26Å; R141-A144 WeakPolarHBondContact O-CB 3.4Å; R141-A144 PolarHBondContact O-N 3.19Å; R141-A144 VanDerWaalsContact O-N 3.08Å; A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.19Å; A144-D146 PolarHBondContact O-N 3.48Å; A144-Q147 PolarHBondContact O-N 3.31Å; A144-L148 PolarHBondContact O-N 2.93Å
145F92.4Very high91.5Very high25 Ų2549.4 Ų49.411%0.1126%0.264CS..Hα-helixtrans-63.5-41176.7-176.7-131.6000112.1C136 G143 Q147 L148 K149 F159 G161 Y163C136-F145 HydrophobicContact CB-CD2 3.67Å; C136-F145 HydrophobicContact CB-CE2 4.41Å; G143-F145 VanDerWaalsContact C-N 3.34Å; G143-F145 PolarHBondContact O-N 3.16Å; F145-Q147 PolarHBondContact O-N 2.84Å; F145-L148 PolarHBondContact O-N 3.47Å; F145-K149 WeakPolarHBondContact O-CB 3.39Å; F145-K149 PolarHBondContact O-N 2.93Å; F145-F159 AromaticContact CE2-CD2 4Å; F145-F159 HydrophobicContact CE2-CD2 4Å; F145-F159 HydrophobicContact CE2-CE2 4.46Å; F145-F159 HydrophobicContact CZ-CD2 4.14Å; F145-F159 HydrophobicContact CZ-CE2 4.19Å; F145-G161 VanDerWaalsContact CE2-CA 3.42Å; F145-Y163 HydrophobicContact CD1-CD1 4.03Å; F145-Y163 HydrophobicContact CD1-CD2 4.18Å; F145-Y163 AromaticContact CD1-CE1 3.65Å; F145-Y163 HydrophobicContact CD1-CE1 3.65Å; F145-Y163 AromaticContact CD1-CE2 3.82Å; F145-Y163 HydrophobicContact CD1-CE2 3.82Å; F145-Y163 HydrophobicContact CD1-CG 4.28Å; F145-Y163 AromaticContact CD1-CZ 3.52Å; F145-Y163 AromaticContact CE1-CD2 3.9Å; F145-Y163 HydrophobicContact CE1-CD2 3.9Å; F145-Y163 HydrophobicContact CE1-CE1 4.18Å; F145-Y163 AromaticContact CE1-CE2 3.46Å; F145-Y163 HydrophobicContact CE1-CE2 3.46Å; F145-Y163 VanDerWaalsContact CE1-CE2 3.46Å; F145-Y163 HydrophobicContact CE1-CG 4.44Å; F145-Y163 AromaticContact CE1-CZ 3.6Å
146D93.3Very high91.3Very high63 Ų6359.8 Ų59.834%0.33730%0.304SS..Hα-helixtrans-65.7-38.5177-63.5-57.7000112.1G143 A144 K149 Q150 Y163G143-D146 PolarHBondContact O-N 3.25Å; A144-D146 PolarHBondContact O-N 3.48Å; D146-K149 PolarHBondContact O-N 3.49Å; D146-Q150 WeakPolarHBondContact O-CB 3.36Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.43Å; D146-Q150 PolarHBondContact O-N 2.85Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.48Å; D146-Y163 PolarHBondContact OD1-OH 2.93Å
147Q92.6Very high91.3Very high71 Ų7159.8 Ų59.833%0.33230%0.304SS..Hα-helixtrans-63.1-47.6174.1-175.9177.59.600111.3T115 R141 G143 A144 F145 Q150 N151T115-Q147 HydrophobicContact CG2-CG 4.28Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.27Å; G143-Q147 PolarHBondContact O-N 2.91Å; A144-Q147 PolarHBondContact O-N 3.31Å; F145-Q147 PolarHBondContact O-N 2.84Å; Q147-Q150 PolarHBondContact O-N 3.28Å; Q147-N151 PolarHBondContact O-N 2.86Å; Q147-N151 VanDerWaalsContact O-N 3.09Å
148L94.2Very high91.4Very high0 Ų062.2 Ų62.20%032%0.319CS..Hα-helixtrans-60.8-46.3177-175.4143.5000110.7T115 L134 C136 A144 F145 Q150 N151 A152 F159 D190T115-L148 HydrophobicContact CG2-CB 3.91Å; T115-L148 HydrophobicContact CG2-CD1 4.46Å; L134-L148 HydrophobicContact CB-CD1 4.37Å; L134-L148 HydrophobicContact CB-CD2 3.97Å; L134-L148 HydrophobicContact CB-CG 4.44Å; C136-L148 HydrophobicContact CB-CB 4.48Å; C136-L148 HydrophobicContact CB-CD1 3.85Å; C136-L148 HydrophobicContact CB-CD2 4.3Å; C136-L148 HydrophobicContact CB-CG 4.43Å; A144-L148 PolarHBondContact O-N 2.93Å; F145-L148 PolarHBondContact O-N 3.47Å; L148-Q150 PolarHBondContact O-N 3.37Å; L148-N151 PolarHBondContact O-N 2.89Å; L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 3.42Å; L148-F159 HydrophobicContact CD2-CB 3.83Å; L148-D190 HydrophobicContact CD1-CB 3.94Å
149K94.2Very high91.6Very high75 Ų7564.7 Ų64.733%0.32633%0.329SS..Hα-helixtrans-58.3-44.1177.1175.2173.2179.8-175.20112.5F145 D146 T153 F159 Y163F145-K149 WeakPolarHBondContact O-CB 3.39Å; F145-K149 PolarHBondContact O-N 2.93Å; D146-K149 PolarHBondContact O-N 3.49Å; K149-T153 VanDerWaalsContact O-CB 3.25Å; K149-T153 WeakPolarHBondContact O-CB 3.39Å; K149-T153 PolarHBondContact O-N 2.94Å; K149-T153 PolarHBondContact O-OG1 3.01Å; K149-F159 HydrophobicContact CB-CD2 4.48Å; K149-F159 HydrophobicContact CB-CE2 4.2Å; K149-F159 HydrophobicContact CB-CZ 4.39Å; K149-F159 HydrophobicContact CD-CE2 4Å; K149-F159 HydrophobicContact CD-CZ 4.06Å; K149-F159 HydrophobicContact CG-CE1 4.18Å; K149-F159 HydrophobicContact CG-CE2 3.78Å; K149-F159 HydrophobicContact CG-CZ 3.61Å; K149-Y163 PolarHBondContact NZ-OH 3.02Å
150Q93.8Very high92Very high113 Ų11364.1 Ų64.153%0.52832%0.321SS..Hα-helixtrans-62.4-45.5176.6-75.8176.234.300111.7D146 Q147 L148 K154D146-Q150 WeakPolarHBondContact O-CB 3.36Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.43Å; D146-Q150 PolarHBondContact O-N 2.85Å; Q147-Q150 PolarHBondContact O-N 3.28Å; L148-Q150 PolarHBondContact O-N 3.37Å; Q150-K154 VanDerWaalsContact O-CG 3.3Å; Q150-K154 WeakPolarHBondContact O-CG 3.19Å; Q150-K154 PolarHBondContact O-N 3.48Å
151N92.7Very high92.3Very high36 Ų3659.5 Ų59.519%0.19331%0.306CS..Hα-helixtrans-66.5-45.4179-69.6-16.7000111.7S119 Q147 L148 T153 K154 A155S119-N151 WeakPolarHBondContact OG-CB 3.39Å; Q147-N151 PolarHBondContact O-N 2.86Å; Q147-N151 VanDerWaalsContact O-N 3.09Å; L148-N151 PolarHBondContact O-N 2.89Å; N151-T153 VanDerWaalsContact C-N 3.34Å; N151-T153 PolarHBondContact O-N 2.86Å; N151-K154 PolarHBondContact O-N 3.32Å; N151-A155 WeakPolarHBondContact O-CB 3.02Å; N151-A155 PolarHBondContact O-N 3.48Å
152A93.8Very high92.5Very high0 Ų057.7 Ų57.70%031%0.305CS..Hα-helixtrans-61.2-42.2177.800000111.5L134 L148 A155 R156 I157 F159L134-A152 HydrophobicContact CD1-CB 3.82Å; L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 3.42Å; A152-A155 CarbonylContact O-C 3.59Å; A152-A155 PolarHBondContact O-N 3.36Å; A152-R156 WeakPolarHBondContact O-CA 3.42Å; A152-R156 PolarHBondContact O-N 3.21Å; A152-I157 PolarHBondContact O-N 3.43Å; A152-F159 HydrophobicContact CB-CB 3.98Å; A152-F159 HydrophobicContact CB-CD1 3.65Å; A152-F159 HydrophobicContact CB-CG 4.11Å
153T93.6Very high92.6Very high85 Ų8559.7 Ų59.752%0.52129%0.292SS..Hα-helixtrans-65.4-44.4177.8-58.10000111.5K149 N151 A155 R156K149-T153 VanDerWaalsContact O-CB 3.25Å; K149-T153 WeakPolarHBondContact O-CB 3.39Å; K149-T153 PolarHBondContact O-N 2.94Å; K149-T153 PolarHBondContact O-OG1 3.01Å; N151-T153 VanDerWaalsContact C-N 3.34Å; N151-T153 PolarHBondContact O-N 2.86Å; T153-A155 PolarHBondContact O-N 3.19Å; T153-R156 PolarHBondContact O-N 3.33Å; T153-R156 VanDerWaalsContact O-N 3.13Å
154K90.8Very high92.6Very high162 Ų16264 Ų6470%0.70431%0.311SS*.Hα-helixtrans-58.9-38175-73.7172.2-176.2174.20111.7Q150 N151Q150-K154 VanDerWaalsContact O-CG 3.3Å; Q150-K154 WeakPolarHBondContact O-CG 3.19Å; Q150-K154 PolarHBondContact O-N 3.48Å; N151-K154 PolarHBondContact O-N 3.32Å
155A91.1Very high92.6Very high7 Ų767.3 Ų67.36%0.05833%0.327CS..Hα-helixtrans-86.1-5.5179.100000114.3Y123 Q126 N151 A152 T153 I157 I279Y123-A155 HydrophobicContact CD2-CB 4.1Å; Q126-A155 PolarHBondContact OE1-O 2.62Å; Q126-A155 VanDerWaalsContact OE1-O 3.14Å; N151-A155 WeakPolarHBondContact O-CB 3.02Å; N151-A155 PolarHBondContact O-N 3.48Å; A152-A155 CarbonylContact O-C 3.59Å; A152-A155 PolarHBondContact O-N 3.36Å; T153-A155 PolarHBondContact O-N 3.19Å; A155-I157 VanDerWaalsContact C-N 3.3Å; A155-I157 HydrophobicContact CB-CD1 3.53Å; A155-I157 HydrophobicContact CB-CG1 3.72Å; A155-I157 PolarHBondContact O-N 2.76Å; A155-I279 HydrophobicContact CB-CD1 3.45Å; A155-I279 VanDerWaalsContact CB-CD1 3.45Å
156R93Very high92.4Very high218 Ų21873.4 Ų73.482%0.82336%0.357SS*.THydrogen-bonded Turntrans54.642.6-172.2-52.7179.3-176.2-176.90.3113Q126 A152 T153Q126-R156 PolarHBondContact NE2-O 3.19Å; A152-R156 WeakPolarHBondContact O-CA 3.42Å; A152-R156 PolarHBondContact O-N 3.21Å; T153-R156 PolarHBondContact O-N 3.33Å; T153-R156 VanDerWaalsContact O-N 3.13Å
157I94.8Very high92.2Very high5 Ų573.3 Ų73.33%0.02636%0.357CS..  trans-103.9127.2178.8-59.9172.8000108.3A122 L134 A152 A155A122-I157 HydrophobicContact CB-CD1 3.64Å; A122-I157 HydrophobicContact CB-CG2 4.2Å; L134-I157 HydrophobicContact CD1-CB 4.47Å; L134-I157 HydrophobicContact CD1-CG2 4.06Å; L134-I157 HydrophobicContact CG-CG2 3.95Å; A152-I157 PolarHBondContact O-N 3.43Å; A155-I157 VanDerWaalsContact C-N 3.3Å; A155-I157 HydrophobicContact CB-CD1 3.53Å; A155-I157 HydrophobicContact CB-CG1 3.72Å; A155-I157 PolarHBondContact O-N 2.76Å
158P95.7Very high92.2Very high52 Ų5270.4 Ų70.434%0.33834%0.344SS..  trans-56.7138.6172.2-28.538.3000111.8C133 L134 F179 F184C133-P158 VanDerWaalsContact CA-O 3.3Å; C133-P158 WeakPolarHBondContact CA-O 3.42Å; C133-P158 HydrophobicContact CB-CB 4.4Å; L134-P158 PolarHBondContact N-O 3.04Å; P158-F179 HydrophobicContact CB-CE1 3.98Å; P158-F179 HydrophobicContact CB-CZ 4.36Å; P158-F184 HydrophobicContact CB-CE1 4.15Å; P158-F184 HydrophobicContact CB-CZ 4.01Å; P158-F184 HydrophobicContact CG-CE1 3.79Å; P158-F184 HydrophobicContact CG-CZ 3.74Å
159F95.9Very high92.1Very high66 Ų6671.6 Ų71.629%0.28935%0.351SS..EExtended strand (participates in β ladder)trans-134.1154.1-178.461.1-91.6000111.8L134 F145 L148 K149 A152L134-F159 HydrophobicContact CB-CB 4.34Å; L134-F159 CarbonylContact O-C 3.43Å; L134-F159 WeakPolarHBondContact O-CA 3.17Å; F145-F159 AromaticContact CE2-CD2 4Å; F145-F159 HydrophobicContact CE2-CD2 4Å; F145-F159 HydrophobicContact CE2-CE2 4.46Å; F145-F159 HydrophobicContact CZ-CD2 4.14Å; F145-F159 HydrophobicContact CZ-CE2 4.19Å; L148-F159 HydrophobicContact CD2-CB 3.83Å; K149-F159 HydrophobicContact CB-CD2 4.48Å; K149-F159 HydrophobicContact CB-CE2 4.2Å; K149-F159 HydrophobicContact CB-CZ 4.39Å; K149-F159 HydrophobicContact CD-CE2 4Å; K149-F159 HydrophobicContact CD-CZ 4.06Å; K149-F159 HydrophobicContact CG-CE1 4.18Å; K149-F159 HydrophobicContact CG-CE2 3.78Å; K149-F159 HydrophobicContact CG-CZ 3.61Å; A152-F159 HydrophobicContact CB-CB 3.98Å; A152-F159 HydrophobicContact CB-CD1 3.65Å; A152-F159 HydrophobicContact CB-CG 4.11Å
160Y95.4Very high92.1Very high40 Ų4070.9 Ų70.916%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-134.5146173.9179.3-87.8000110L134 I135 C136 I171 E174 K178 F179L134-Y160 PolarHBondContact O-N 3.35Å; I135-Y160 WeakPolarHBondContact CA-O 3.12Å; I135-Y160 HydrophobicContact CG2-CD1 4.22Å; C136-Y160 PolarHBondContact N-O 3.47Å; Y160-I171 HydrophobicContact CD1-CG2 4.3Å; Y160-I171 HydrophobicContact CE1-CG2 3.94Å; Y160-I171 VanDerWaalsContact CE1-O 3.3Å; Y160-I171 WeakPolarHBondContact CE1-O 3.28Å; Y160-E174 HydrophobicContact CE1-CB 4.34Å; Y160-E174 WeakPolarHBondContact OH-CB 3.19Å; Y160-E174 PolarHBondContact OH-OE2 3.22Å; Y160-K178 HydrophobicContact CD2-CD 3.8Å; Y160-K178 HydrophobicContact CE2-CD 4.25Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å
161G91.6Very high92.1Very high18 Ų1865.6 Ų65.619%0.18633%0.326CS..  trans173.8169.5176.900000109.2F145F145-G161 VanDerWaalsContact CE2-CA 3.42Å
162S89.8Confident92.2Very high36 Ų3663.9 Ų63.925%0.25232%0.317SS..  trans-125.6143-176.2-1710000110.9T164 E165S162-T164 PolarHBondContact OG-N 3.31Å; S162-T164 PolarHBondContact OG-OG1 3.24Å; S162-E165 WeakPolarHBondContact OG-CB 3.46Å; S162-E165 PolarHBondContact OG-N 3.16Å
163Y87.3Confident92.3Very high142 Ų14265.8 Ų65.856%0.55733%0.33SS*.SBendtrans-89.6-16.5170.2-71.3-75.8000112.2F145 D146 K149F145-Y163 HydrophobicContact CD1-CD1 4.03Å; F145-Y163 HydrophobicContact CD1-CD2 4.18Å; F145-Y163 AromaticContact CD1-CE1 3.65Å; F145-Y163 HydrophobicContact CD1-CE1 3.65Å; F145-Y163 AromaticContact CD1-CE2 3.82Å; F145-Y163 HydrophobicContact CD1-CE2 3.82Å; F145-Y163 HydrophobicContact CD1-CG 4.28Å; F145-Y163 AromaticContact CD1-CZ 3.52Å; F145-Y163 AromaticContact CE1-CD2 3.9Å; F145-Y163 HydrophobicContact CE1-CD2 3.9Å; F145-Y163 HydrophobicContact CE1-CE1 4.18Å; F145-Y163 AromaticContact CE1-CE2 3.46Å; F145-Y163 HydrophobicContact CE1-CE2 3.46Å; F145-Y163 VanDerWaalsContact CE1-CE2 3.46Å; F145-Y163 HydrophobicContact CE1-CG 4.44Å; F145-Y163 AromaticContact CE1-CZ 3.6Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.48Å; D146-Y163 PolarHBondContact OD1-OH 2.93Å; K149-Y163 PolarHBondContact NZ-OH 3.02Å
164T88.3Confident92.3Very high129 Ų12966.5 Ų66.579%0.79133%0.327SS*.SBendtrans-113.7-32.4-172.153.70000113S162S162-T164 PolarHBondContact OG-N 3.31Å; S162-T164 PolarHBondContact OG-OG1 3.24Å
165E90.6Very high92.5Very high71 Ų7158.8 Ų58.833%0.33229%0.294SS..  trans-76.3132.9177.1-174.450.8-101.800109.4S162 D167 I170 I171S162-E165 WeakPolarHBondContact OG-CB 3.46Å; S162-E165 PolarHBondContact OG-N 3.16Å; E165-D167 WeakPolarHBondContact OE1-CB 3.41Å; E165-D167 PolarHBondContact OE1-N 3.16Å; E165-I170 HydrophobicContact CG-CB 4.17Å; E165-I170 HydrophobicContact CG-CG2 4.12Å; E165-I171 HydrophobicContact CB-CD1 4.01Å; E165-I171 HydrophobicContact CB-CG1 3.85Å; E165-I171 HydrophobicContact CG-CD1 4.03Å; E165-I171 HydrophobicContact CG-CG1 3.58Å
166M87.1Confident92.7Very high153 Ų15358.7 Ų58.775%0.75429%0.292SS*.  trans-108.4-16.7-178.5-63.9-170.3-6300112.1T139 P168T139-M166 VanDerWaalsContact CB-O 3.32Å; T139-M166 WeakPolarHBondContact CB-O 3.31Å; T139-M166 WeakPolarHBondContact CG2-O 3.33Å; T139-M166 PolarHBondContact OG1-O 3.28Å; M166-P168 WeakPolarHBondContact O-CD 3.37Å
167D90Very high92.8Very high61 Ų6154.2 Ų54.233%0.32628%0.281SS..  trans-80.9112.8177.2-170.3-18.2000111.2E165 V169 I170 I171E165-D167 WeakPolarHBondContact OE1-CB 3.41Å; E165-D167 PolarHBondContact OE1-N 3.16Å; D167-V169 PolarHBondContact O-N 2.98Å; D167-V169 VanDerWaalsContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CB 3.16Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.44Å; D167-V169 PolarHBondContact OD1-N 2.95Å; D167-I170 HydrophobicContact CB-CB 4.23Å; D167-I170 HydrophobicContact CB-CD1 3.86Å; D167-I170 HydrophobicContact CB-CG1 3.94Å; D167-I170 PolarHBondContact O-N 2.63Å; D167-I171 WeakPolarHBondContact O-CG1 3.35Å; D167-I171 PolarHBondContact O-N 3.23Å
168P91.7Very high92.9Very high9 Ų958.2 Ų58.26%0.05830%0.298CS..Hα-helixtrans-64.5-25.3178.528.8-35.5000113A137 M166 A172 E204 V208A137-P168 HydrophobicContact CB-CB 4.28Å; A137-P168 WeakPolarHBondContact O-CB 3.35Å; M166-P168 WeakPolarHBondContact O-CD 3.37Å; P168-A172 WeakPolarHBondContact O-CB 3.32Å; P168-A172 PolarHBondContact O-N 3.16Å; P168-E204 HydrophobicContact CG-CG 3.55Å; P168-V208 HydrophobicContact CB-CG2 4.1Å; P168-V208 HydrophobicContact CG-CG2 4.28Å
169V93.5Very high92.8Very high26 Ų2655.9 Ų55.916%0.15828%0.282CS..Hα-helixtrans-68.9-44179.5-175.60000110.4D167 S173 Q207 V208 A211D167-V169 PolarHBondContact O-N 2.98Å; D167-V169 VanDerWaalsContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CB 3.16Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.44Å; D167-V169 PolarHBondContact OD1-N 2.95Å; V169-S173 VanDerWaalsContact O-CB 3.28Å; V169-S173 WeakPolarHBondContact O-CB 3.27Å; V169-S173 PolarHBondContact O-N 3.25Å; V169-S173 PolarHBondContact O-OG 3.04Å; V169-Q207 HydrophobicContact CG2-CB 3.78Å; V169-V208 HydrophobicContact CG2-CG2 3.88Å; V169-A211 HydrophobicContact CG1-CB 3.6Å
170I93.7Very high92.7Very high60 Ų6055.8 Ų55.831%0.30828%0.282SS..Hα-helixtrans-64-50.9177.6-62.5178.5000109.6E165 D167 A172 S173 E174E165-I170 HydrophobicContact CG-CB 4.17Å; E165-I170 HydrophobicContact CG-CG2 4.12Å; D167-I170 HydrophobicContact CB-CB 4.23Å; D167-I170 HydrophobicContact CB-CD1 3.86Å; D167-I170 HydrophobicContact CB-CG1 3.94Å; D167-I170 PolarHBondContact O-N 2.63Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 3.32Å; I170-S173 PolarHBondContact O-N 2.98Å; I170-E174 HydrophobicContact CG2-CG 4.24Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.26Å; I170-E174 WeakPolarHBondContact O-CB 3.49Å; I170-E174 WeakPolarHBondContact O-CG 3.42Å; I170-E174 PolarHBondContact O-N 2.99Å
171I93.8Very high92.6Very high2 Ų259.5 Ų59.51%0.0130%0.304CS..Hα-helixtrans-60.3-42.7-179.2-61.3170.4000111.5I135 C136 T139 Y160 E165 D167 G175I135-I171 HydrophobicContact CG2-CG2 4.44Å; C136-I171 VanDerWaalsContact O-CG2 3.25Å; C136-I171 WeakPolarHBondContact O-CG2 3.31Å; T139-I171 HydrophobicContact CG2-CD1 3.39Å; Y160-I171 HydrophobicContact CD1-CG2 4.3Å; Y160-I171 HydrophobicContact CE1-CG2 3.94Å; Y160-I171 VanDerWaalsContact CE1-O 3.3Å; Y160-I171 WeakPolarHBondContact CE1-O 3.28Å; E165-I171 HydrophobicContact CB-CD1 4.01Å; E165-I171 HydrophobicContact CB-CG1 3.85Å; E165-I171 HydrophobicContact CG-CD1 4.03Å; E165-I171 HydrophobicContact CG-CG1 3.58Å; D167-I171 WeakPolarHBondContact O-CG1 3.35Å; D167-I171 PolarHBondContact O-N 3.23Å; I171-G175 PolarHBondContact O-N 2.83Å
172A94.7Very high92.8Very high0 Ų063.1 Ų63.10%032%0.316CS..Hα-helixtrans-66.8-44.6178.800000111.5A137 P168 I170 V176 V189 V208 I212A137-A172 HydrophobicContact CB-CB 4.26Å; P168-A172 WeakPolarHBondContact O-CB 3.32Å; P168-A172 PolarHBondContact O-N 3.16Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 3.32Å; A172-V176 WeakPolarHBondContact O-CB 3.4Å; A172-V176 WeakPolarHBondContact O-CG2 3.39Å; A172-V176 PolarHBondContact O-N 3.5Å; A172-V189 HydrophobicContact CB-CG1 4.18Å; A172-V208 HydrophobicContact CB-CG1 3.84Å; A172-I212 HydrophobicContact CB-CG2 3.71Å
173S95.3Very high92.9Very high40 Ų4066.8 Ų66.828%0.2833%0.333SS..Hα-helixtrans-65.4-50.6-178.9-56.80000111.8V169 I170 G175 V176 E177 A211V169-S173 VanDerWaalsContact O-CB 3.28Å; V169-S173 WeakPolarHBondContact O-CB 3.27Å; V169-S173 PolarHBondContact O-N 3.25Å; V169-S173 PolarHBondContact O-OG 3.04Å; I170-S173 PolarHBondContact O-N 2.98Å; S173-G175 VanDerWaalsContact C-N 3.35Å; S173-G175 PolarHBondContact O-N 3.05Å; S173-V176 PolarHBondContact O-N 3.48Å; S173-E177 WeakPolarHBondContact O-CB 3.4Å; S173-E177 PolarHBondContact O-N 2.76Å; S173-A211 WeakPolarHBondContact OG-CB 3.28Å
174E95.4Very high93.2Very high100 Ų10061.2 Ų61.247%0.46731%0.312SS..Hα-helixtrans-62.7-41.9177.9-70.8-173.4-174.400111.8Y160 I170 E177 K178Y160-E174 HydrophobicContact CE1-CB 4.34Å; Y160-E174 WeakPolarHBondContact OH-CB 3.19Å; Y160-E174 PolarHBondContact OH-OE2 3.22Å; I170-E174 HydrophobicContact CG2-CG 4.24Å; I170-E174 WeakPolarHBondContact CG2-OE1 3.26Å; I170-E174 WeakPolarHBondContact O-CB 3.49Å; I170-E174 WeakPolarHBondContact O-CG 3.42Å; I170-E174 PolarHBondContact O-N 2.99Å; E174-E177 PolarHBondContact O-N 3.2Å; E174-K178 VanDerWaalsContact O-CB 3.27Å; E174-K178 WeakPolarHBondContact O-CB 3.36Å; E174-K178 PolarHBondContact O-N 3.42Å
175G94.5Very high93.5Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-62.5-44.7177.600000112.2I171 S173 F179I171-G175 PolarHBondContact O-N 2.83Å; S173-G175 VanDerWaalsContact C-N 3.35Å; S173-G175 PolarHBondContact O-N 3.05Å; G175-F179 WeakPolarHBondContact O-CD2 3.43Å; G175-F179 PolarHBondContact O-N 3.02Å; G175-F179 VanDerWaalsContact O-N 3.14Å
176V95.2Very high93.8Very high5 Ų553 Ų533%0.0327%0.265CS..Hα-helixtrans-65.7-46.9178.2169.20000110.2V103 I135 A172 S173 K178 F179 K180 I187 V189 I212V103-V176 HydrophobicContact CG1-CG2 4.12Å; V103-V176 HydrophobicContact CG2-CG1 4.02Å; I135-V176 HydrophobicContact CD1-CB 4.4Å; I135-V176 HydrophobicContact CD1-CG2 3.67Å; A172-V176 WeakPolarHBondContact O-CB 3.4Å; A172-V176 WeakPolarHBondContact O-CG2 3.39Å; A172-V176 PolarHBondContact O-N 3.5Å; S173-V176 PolarHBondContact O-N 3.48Å; V176-K178 PolarHBondContact O-N 3.41Å; V176-F179 PolarHBondContact O-N 3.29Å; V176-K180 HydrophobicContact CG1-CD 3.8Å; V176-K180 VanDerWaalsContact CG1-CE 3.49Å; V176-K180 HydrophobicContact CG1-CG 4.11Å; V176-K180 WeakPolarHBondContact O-CB 3.47Å; V176-K180 VanDerWaalsContact O-CG 3.22Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.99Å; V176-I187 HydrophobicContact CG2-CG2 4.04Å; V176-V189 HydrophobicContact CG2-CG2 4Å; V176-I212 HydrophobicContact CG2-CB 4.14Å; V176-I212 HydrophobicContact CG2-CG2 3.99Å
177E95.5Very high94.3Very high123 Ų12345.8 Ų45.858%0.57523%0.229SC*.Hα-helixtrans-58.7-47.1178.3-172.7-179.6176.600111.6S173 E174 F179 K180 N181S173-E177 WeakPolarHBondContact O-CB 3.4Å; S173-E177 PolarHBondContact O-N 2.76Å; E174-E177 PolarHBondContact O-N 3.2Å; E177-F179 PolarHBondContact O-N 3.29Å; E177-K180 PolarHBondContact O-N 2.9Å; E177-N181 WeakPolarHBondContact O-CB 3.46Å; E177-N181 VanDerWaalsContact O-CG 3.22Å; E177-N181 PolarHBondContact O-N 2.87Å; E177-N181 PolarHBondContact O-ND2 3.14Å
178K95.2Very high94.7Very high89 Ų8942.9 Ų42.939%0.38721%0.213SC..Hα-helixtrans-54.7-52.3176.9-178.9-177.9179.2-178.70112Y160 E174 V176 N181 E182Y160-K178 HydrophobicContact CD2-CD 3.8Å; Y160-K178 HydrophobicContact CE2-CD 4.25Å; E174-K178 VanDerWaalsContact O-CB 3.27Å; E174-K178 WeakPolarHBondContact O-CB 3.36Å; E174-K178 PolarHBondContact O-N 3.42Å; V176-K178 PolarHBondContact O-N 3.41Å; K178-N181 PolarHBondContact O-N 3.38Å; K178-E182 VanDerWaalsContact CE-OE1 3.27Å; K178-E182 WeakPolarHBondContact CE-OE1 3.39Å; K178-E182 PolarHBondContact O-N 2.65Å; K178-E182 VanDerWaalsContact O-N 3.1Å
179F95Very high94.9Very high3 Ų342.4 Ų42.41%0.01321%0.211CC..Hα-helixtrans-75.7-25.8-176.5-70.5-56.1000113.6C133 I135 P158 Y160 G175 V176 E177 E182 N183 F184 I187C133-F179 HydrophobicContact CB-CD1 3.73Å; C133-F179 HydrophobicContact CB-CD2 3.81Å; C133-F179 HydrophobicContact CB-CE1 3.7Å; C133-F179 HydrophobicContact CB-CE2 3.76Å; C133-F179 HydrophobicContact CB-CG 3.8Å; C133-F179 HydrophobicContact CB-CZ 3.71Å; C133-F179 VanDerWaalsContact SG-CB 3.56Å; C133-F179 WeakPolarHBondContact SG-CD2 3.34Å; C133-F179 WeakPolarHBondContact SG-CG 3.4Å; I135-F179 HydrophobicContact CD1-CD2 4.05Å; I135-F179 HydrophobicContact CG1-CD2 3.87Å; I135-F179 HydrophobicContact CG1-CE2 3.83Å; P158-F179 HydrophobicContact CB-CE1 3.98Å; P158-F179 HydrophobicContact CB-CZ 4.36Å; Y160-F179 VanDerWaalsContact CB-CE2 3.48Å; G175-F179 WeakPolarHBondContact O-CD2 3.43Å; G175-F179 PolarHBondContact O-N 3.02Å; G175-F179 VanDerWaalsContact O-N 3.14Å; V176-F179 PolarHBondContact O-N 3.29Å; E177-F179 PolarHBondContact O-N 3.29Å; F179-E182 PolarHBondContact O-N 3.49Å; F179-N183 PolarHBondContact O-N 2.9Å; F179-F184 HydrophobicContact CB-CB 4.21Å; F179-F184 HydrophobicContact CB-CD2 4.17Å; F179-F184 HydrophobicContact CB-CG 4.32Å; F179-F184 AromaticContact CD1-CD2 3.71Å; F179-F184 HydrophobicContact CD1-CD2 3.71Å; F179-F184 AromaticContact CD1-CE2 3.76Å; F179-F184 HydrophobicContact CD1-CE2 3.76Å; F179-F184 HydrophobicContact CD1-CG 4.18Å; F179-F184 HydrophobicContact CD1-CZ 4.27Å; F179-F184 HydrophobicContact CE1-CE2 4.31Å; F179-F184 HydrophobicContact CE1-CZ 4.45Å; F179-F184 HydrophobicContact CG-CD2 4.38Å; F179-F184 PolarHBondContact O-N 2.93Å; F179-I187 HydrophobicContact CB-CD1 4.09Å; F179-I187 HydrophobicContact CB-CG1 4.15Å
180K93.4Very high95Very high65 Ų6541.2 Ų41.228%0.28320%0.203SC..Hα-helixtrans-62.5-45.6167.6-76.7-174.4173173.20110.6Q101 V176 E177 E182 N183 I187Q101-K180 HydrophobicContact CG-CG 4.31Å; Q101-K180 PolarHBondContact NE2-O 3.48Å; Q101-K180 VanDerWaalsContact OE1-CG 3.26Å; V176-K180 HydrophobicContact CG1-CD 3.8Å; V176-K180 VanDerWaalsContact CG1-CE 3.49Å; V176-K180 HydrophobicContact CG1-CG 4.11Å; V176-K180 WeakPolarHBondContact O-CB 3.47Å; V176-K180 VanDerWaalsContact O-CG 3.22Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.99Å; E177-K180 PolarHBondContact O-N 2.9Å; K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 3.04Å; K180-N183 PolarHBondContact O-N 3.18Å; K180-I187 HydrophobicContact CG-CD1 3.65Å
181N94.2Very high94.9Very high117 Ų11738.6 Ų38.663%0.62619%0.19SC*.Hα-helixtrans-63.6-33.4177.4-68.6-22.5000112.7E177 K178 N183E177-N181 WeakPolarHBondContact O-CB 3.46Å; E177-N181 VanDerWaalsContact O-CG 3.22Å; E177-N181 PolarHBondContact O-N 2.87Å; E177-N181 PolarHBondContact O-ND2 3.14Å; K178-N181 PolarHBondContact O-N 3.38Å; N181-N183 PolarHBondContact O-N 3.44Å
182E93.9Very high94.5Very high94 Ų9438.5 Ų38.544%0.43919%0.19SC..THydrogen-bonded Turntrans-81.55.4175.4-66.5177.9-16000113.9K178 F179 K180 F184K178-E182 VanDerWaalsContact CE-OE1 3.27Å; K178-E182 WeakPolarHBondContact CE-OE1 3.39Å; K178-E182 PolarHBondContact O-N 2.65Å; K178-E182 VanDerWaalsContact O-N 3.1Å; F179-E182 PolarHBondContact O-N 3.49Å; K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 3.04Å; E182-F184 HydrophobicContact CB-CD2 3.68Å; E182-F184 HydrophobicContact CB-CE2 3.62Å; E182-F184 PolarHBondContact O-N 3.36Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.29Å
183N92.3Very high93.8Very high113 Ų11338.8 Ų38.860%0.60419%0.193SC*.THydrogen-bonded Turntrans58.342.7179.7-60.2-62.8000114.1F179 K180 N181F179-N183 PolarHBondContact O-N 2.9Å; K180-N183 PolarHBondContact O-N 3.18Å; N181-N183 PolarHBondContact O-N 3.44Å
184F94.1Very high92.8Very high25 Ų2538.4 Ų38.411%0.1119%0.185CC..  trans-74.3141.5167.7-77.7-101.3000110.9K131 T132 C133 P158 F179 E182 I187K131-F184 HydrophobicContact CB-CD1 3.93Å; K131-F184 HydrophobicContact CB-CE1 4.39Å; K131-F184 HydrophobicContact CB-CG 4.4Å; T132-F184 WeakPolarHBondContact O-CD1 3.31Å; T132-F184 VanDerWaalsContact O-CE1 3.28Å; T132-F184 WeakPolarHBondContact O-CE1 3.5Å; C133-F184 HydrophobicContact CB-CD1 3.72Å; C133-F184 HydrophobicContact CB-CE1 3.98Å; C133-F184 HydrophobicContact CB-CG 4.23Å; P158-F184 HydrophobicContact CB-CE1 4.15Å; P158-F184 HydrophobicContact CB-CZ 4.01Å; P158-F184 HydrophobicContact CG-CE1 3.79Å; P158-F184 HydrophobicContact CG-CZ 3.74Å; F179-F184 HydrophobicContact CB-CB 4.21Å; F179-F184 HydrophobicContact CB-CD2 4.17Å; F179-F184 HydrophobicContact CB-CG 4.32Å; F179-F184 AromaticContact CD1-CD2 3.71Å; F179-F184 HydrophobicContact CD1-CD2 3.71Å; F179-F184 AromaticContact CD1-CE2 3.76Å; F179-F184 HydrophobicContact CD1-CE2 3.76Å; F179-F184 HydrophobicContact CD1-CG 4.18Å; F179-F184 HydrophobicContact CD1-CZ 4.27Å; F179-F184 HydrophobicContact CE1-CE2 4.31Å; F179-F184 HydrophobicContact CE1-CZ 4.45Å; F179-F184 HydrophobicContact CG-CD2 4.38Å; F179-F184 PolarHBondContact O-N 2.93Å; E182-F184 HydrophobicContact CB-CD2 3.68Å; E182-F184 HydrophobicContact CB-CE2 3.62Å; E182-F184 PolarHBondContact O-N 3.36Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.29Å; F184-I187 HydrophobicContact CB-CG1 4.2Å
185E94.9Very high91.6Very high29 Ų2938.7 Ų38.714%0.13619%0.186CC..SBendtrans-92.3-33.3-177.2-63.2176.3111.500112K98 G99 N102 W130 K131K98-E185 WeakPolarHBondContact CG-OE1 3.24Å; G99-E185 PolarHBondContact N-OE1 3.5Å; N102-E185 WeakPolarHBondContact CB-O 3.14Å; N102-E185 PolarHBondContact N-O 2.93Å; N102-E185 PolarHBondContact ND2-O 3.32Å; W130-E185 WeakPolarHBondContact CA-OE2 3.42Å; W130-E185 HydrophobicContact CE3-CB 3.7Å; W130-E185 HydrophobicContact CE3-CG 4.45Å; W130-E185 HydrophobicContact CZ3-CB 4.28Å; K131-E185 PolarHBondContact N-OE2 2.89Å; K131-E185 PolarHBondContact O-N 2.68Å
186I96.9Very high89.9Confident0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-121.1110.9179.3-57.8-58.7000108.8P96 N102 I104 Y125 W130 K131 T132 C133 I188P96-I186 HydrophobicContact CB-CD1 3.61Å; P96-I186 HydrophobicContact CG-CD1 4.12Å; N102-I186 HydrophobicContact CB-CD1 4.04Å; I104-I186 HydrophobicContact CD1-CG2 4.12Å; Y125-I186 HydrophobicContact CD2-CG2 4.42Å; Y125-I186 HydrophobicContact CG-CG1 4.25Å; W130-I186 HydrophobicContact CB-CG1 4.25Å; W130-I186 HydrophobicContact CD2-CD1 4.5Å; W130-I186 HydrophobicContact CD2-CG1 4.32Å; W130-I186 HydrophobicContact CE3-CD1 3.71Å; W130-I186 HydrophobicContact CE3-CG1 3.77Å; W130-I186 HydrophobicContact CZ3-CD1 3.87Å; W130-I186 HydrophobicContact CZ3-CG1 4.43Å; K131-I186 PolarHBondContact O-N 3.19Å; T132-I186 WeakPolarHBondContact CA-O 3.28Å; T132-I186 HydrophobicContact CG2-CB 3.65Å; T132-I186 HydrophobicContact CG2-CG1 4.01Å; T132-I186 HydrophobicContact CG2-CG2 4.05Å; C133-I186 PolarHBondContact N-O 3.07Å; I186-I188 HydrophobicContact CG2-CD1 3.77Å; I186-I188 HydrophobicContact CG2-CG1 3.89Å
187I97.3Very high88.3Confident0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans-112.3111.6-180-56.8171.5000107.9N102 V103 I104 I135 V176 F179 K180 F184N102-I187 PolarHBondContact O-N 3.44Å; V103-I187 CarbonylContact C-O 3.59Å; V103-I187 WeakPolarHBondContact CA-O 3.42Å; V103-I187 HydrophobicContact CG2-CB 4.43Å; V103-I187 HydrophobicContact CG2-CD1 4.35Å; I104-I187 PolarHBondContact N-O 3.34Å; I135-I187 HydrophobicContact CD1-CG2 3.52Å; V176-I187 HydrophobicContact CG2-CG2 4.04Å; F179-I187 HydrophobicContact CB-CD1 4.09Å; F179-I187 HydrophobicContact CB-CG1 4.15Å; K180-I187 HydrophobicContact CG-CD1 3.65Å; F184-I187 HydrophobicContact CB-CG1 4.2Å
188I97.4Very high87Confident0 Ų046.1 Ų46.10%022%0.22CC..EExtended strand (participates in β ladder)trans-107.5126-176.1-68.6157000110I104 F106 C118 L121 A122 C133 L134 I135 I186I104-I188 HydrophobicContact CB-CG1 4.28Å; I104-I188 HydrophobicContact CD1-CG1 4.43Å; I104-I188 WeakPolarHBondContact O-CA 3.25Å; F106-I188 HydrophobicContact CD2-CG2 3.84Å; F106-I188 HydrophobicContact CE2-CG2 3.78Å; C118-I188 HydrophobicContact CB-CG2 3.73Å; L121-I188 HydrophobicContact CB-CD1 4.19Å; L121-I188 HydrophobicContact CD2-CD1 4Å; L121-I188 HydrophobicContact CD2-CG1 4.38Å; L121-I188 HydrophobicContact CG-CD1 4.15Å; A122-I188 HydrophobicContact CB-CD1 3.65Å; C133-I188 PolarHBondContact O-N 3.31Å; C133-I188 VanDerWaalsContact O-N 3.14Å; L134-I188 CarbonylContact C-O 3.56Å; L134-I188 WeakPolarHBondContact CA-O 3.32Å; L134-I188 HydrophobicContact CD2-CB 3.98Å; L134-I188 HydrophobicContact CD2-CD1 4.45Å; L134-I188 HydrophobicContact CD2-CG2 3.93Å; I135-I188 PolarHBondContact N-O 2.8Å; I186-I188 HydrophobicContact CG2-CD1 3.77Å; I186-I188 HydrophobicContact CG2-CG1 3.89Å
189V96.6Very high86.1Confident0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-108.2114.4179-175.50000109.9I104 F106 I135 A137 A172 V176 T191 I212I104-V189 PolarHBondContact O-N 2.79Å; F106-V189 PolarHBondContact N-O 3.23Å; I135-V189 HydrophobicContact CB-CG2 4.25Å; I135-V189 HydrophobicContact CD1-CG2 3.96Å; I135-V189 HydrophobicContact CG2-CG1 4.47Å; A137-V189 HydrophobicContact CB-CG1 3.98Å; A172-V189 HydrophobicContact CB-CG1 4.18Å; V176-V189 HydrophobicContact CG2-CG2 4Å; V189-T191 HydrophobicContact CG1-CG2 4.35Å; V189-I212 HydrophobicContact CB-CD1 4.35Å; V189-I212 HydrophobicContact CG1-CD1 4.45Å; V189-I212 HydrophobicContact CG2-CD1 3.97Å
190D95Very high85.3Confident1 Ų150 Ų501%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-88.2111.4174-171.831.5000109.9K114 T115 C118 I135 A137 D138 L148K114-D190 WeakPolarHBondContact CB-OD1 3.43Å; T115-D190 WeakPolarHBondContact CA-OD2 3.41Å; T115-D190 WeakPolarHBondContact CB-OD2 3.35Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.33Å; T115-D190 PolarHBondContact N-OD1 2.74Å; T115-D190 PolarHBondContact OG1-OD2 3.15Å; C118-D190 HydrophobicContact CB-CB 4.49Å; I135-D190 PolarHBondContact O-N 2.88Å; A137-D190 CarbonylContact C-O 3.54Å; A137-D190 WeakPolarHBondContact CA-O 3.44Å; A137-D190 PolarHBondContact N-O 3.48Å; D138-D190 PolarHBondContact N-O 2.97Å; L148-D190 HydrophobicContact CD1-CB 3.94Å
191T92.5Very high84.6Confident5 Ų546.9 Ų46.93%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-95167.3179.869.70000112.3M105 F106 K114 V189M105-T191 HydrophobicContact CG-CG2 3.86Å; M105-T191 HydrophobicContact SD-CG2 4.37Å; F106-T191 WeakPolarHBondContact O-CB 3.46Å; F106-T191 PolarHBondContact O-OG1 2.88Å; K114-T191 WeakPolarHBondContact CE-O 3.47Å; V189-T191 HydrophobicContact CG1-CG2 4.35Å
192S86.1Confident84Confident0 Ų041.8 Ų41.80%021%0.209CC..  trans-58.8148.1175.873.40000111.9L201 E204 M205S192-L201 WeakPolarHBondContact OG-CD1 3.31Å; S192-E204 PolarHBondContact OG-OE1 3.5Å; S192-M205 VanDerWaalsContact O-CE 3.27Å; S192-M205 WeakPolarHBondContact O-CE 2.88Å
193G80Confident83.6Confident6 Ų643.1 Ų43.16%0.06222%0.215CC..  trans-110.9114.417000000110.7G108 Q110G108-G193 WeakPolarHBondContact O-CA 3.29Å; Q110-G193 VanDerWaalsContact CB-O 3.26Å; Q110-G193 WeakPolarHBondContact CB-O 3.32Å; Q110-G193 WeakPolarHBondContact CG-O 3.31Å
194R73.7Confident83.2Confident32 Ų3239.2 Ų39.212%0.12119%0.193CC..  trans-125.6174.1174-42.9-172.5-165.3-163.61.9111.8L109 E198 L201 E204L109-R194 VanDerWaalsContact CD2-O 3.22Å; L109-R194 WeakPolarHBondContact CD2-O 3.45Å; R194-E198 WeakPolarHBondContact CD-OE2 3.43Å; R194-E198 IonicContact CZ-OE2 3.5Å; R194-E198 IonicContact NE-OE2 3.8Å; R194-E198 IonicContact NH1-OE2 2.85Å; R194-E198 PolarHBondContact NH1-OE2 3Å; R194-E198 VanDerWaalsContact NH1-OE2 3.12Å; R194-L201 HydrophobicContact CB-CB 4.33Å; R194-L201 HydrophobicContact CB-CD1 3.98Å; R194-L201 HydrophobicContact CB-CD2 3.52Å; R194-L201 HydrophobicContact CB-CG 4.1Å; R194-L201 HydrophobicContact CG-CD1 3.52Å; R194-L201 HydrophobicContact CG-CD2 4.08Å; R194-L201 HydrophobicContact CG-CG 4.2Å; R194-E204 IonicContact CZ-OE2 3.71Å; R194-E204 IonicContact NH2-OE1 2.66Å; R194-E204 IonicContact NH2-OE2 3.08Å; R194-E204 PolarHBondContact NH2-OE2 2.97Å
195H70Confident82.8Confident106 Ų10638.1 Ų38.149%0.49119%0.188SC..  trans-78.7152.9-179.9-153.5-94.1000110.5Q197 E198H195-Q197 PolarHBondContact O-N 2.92Å; H195-E198 PolarHBondContact O-N 3.3Å
196K59.4Low82.5Confident52 Ų5240.3 Ų40.323%0.22620%0.201CC..THydrogen-bonded Turntrans-60.9-13.6-173.1-41.5166.679.1171.50115.4L109 E198 A231 Q232L109-K196 HydrophobicContact CD2-CG 3.91Å; K196-E198 VanDerWaalsContact C-N 3.28Å; K196-A231 WeakPolarHBondContact CE-O 3.44Å; K196-A231 PolarHBondContact NZ-O 3.45Å; K196-Q232 HydrophobicContact CD-CB 4.33Å; K196-Q232 HydrophobicContact CD-CG 3.28Å; K196-Q232 HydrophobicContact CG-CG 3.86Å; K196-Q232 VanDerWaalsContact NZ-CA 3.29Å
197Q61.4Low82.3Confident170 Ų17045.6 Ų45.679%0.79423%0.225SC*.THydrogen-bonded Turntrans-87.4-1-173-71.3177.9-18.400112.2H195H195-Q197 PolarHBondContact O-N 2.92Å
198E67.4Low82Confident62 Ų6245.7 Ų45.729%0.2923%0.226SC..  trans-98.895.5178.1-69.3179.9-139.400109.9R194 H195 K196 S200 L201R194-E198 WeakPolarHBondContact CD-OE2 3.43Å; R194-E198 IonicContact CZ-OE2 3.5Å; R194-E198 IonicContact NE-OE2 3.8Å; R194-E198 IonicContact NH1-OE2 2.85Å; R194-E198 PolarHBondContact NH1-OE2 3Å; R194-E198 VanDerWaalsContact NH1-OE2 3.12Å; H195-E198 PolarHBondContact O-N 3.3Å; K196-E198 VanDerWaalsContact C-N 3.28Å; E198-S200 PolarHBondContact O-N 3.29Å; E198-L201 HydrophobicContact CB-CB 4.09Å; E198-L201 VanDerWaalsContact O-CB 3.31Å; E198-L201 WeakPolarHBondContact O-CB 3.36Å; E198-L201 PolarHBondContact O-N 3Å
199D76.7Confident81.8Confident109 Ų10946.2 Ų46.258%0.58323%0.23SC*.Hα-helixtrans-55.1-33.5171.2-77-40.1000111.6L201 F202 E203D199-L201 PolarHBondContact O-N 3.01Å; D199-F202 PolarHBondContact O-N 3.34Å; D199-F202 VanDerWaalsContact O-N 3.11Å; D199-E203 PolarHBondContact O-N 3.32Å; D199-E203 VanDerWaalsContact O-N 3.15Å
200S79.1Confident81.6Confident64 Ų6451.2 Ų51.245%0.44826%0.257SS..Hα-helixtrans-58.2-32174.556.30000113.5E198 E204E198-S200 PolarHBondContact O-N 3.29Å; S200-E204 WeakPolarHBondContact O-CB 3.3Å; S200-E204 PolarHBondContact O-N 3.15Å
201L77.1Confident81.6Confident0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-65.9-44.2176.2178.763.6000111S192 R194 E198 D199 E203 E204 M205S192-L201 WeakPolarHBondContact OG-CD1 3.31Å; R194-L201 HydrophobicContact CB-CB 4.33Å; R194-L201 HydrophobicContact CB-CD1 3.98Å; R194-L201 HydrophobicContact CB-CD2 3.52Å; R194-L201 HydrophobicContact CB-CG 4.1Å; R194-L201 HydrophobicContact CG-CD1 3.52Å; R194-L201 HydrophobicContact CG-CD2 4.08Å; R194-L201 HydrophobicContact CG-CG 4.2Å; E198-L201 HydrophobicContact CB-CB 4.09Å; E198-L201 VanDerWaalsContact O-CB 3.31Å; E198-L201 WeakPolarHBondContact O-CB 3.36Å; E198-L201 PolarHBondContact O-N 3Å; D199-L201 PolarHBondContact O-N 3.01Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.83Å; L201-E204 PolarHBondContact O-N 2.91Å; L201-M205 HydrophobicContact CD1-CE 3.63Å; L201-M205 HydrophobicContact CD1-CG 4.4Å; L201-M205 HydrophobicContact CD1-SD 4.43Å; L201-M205 HydrophobicContact CD2-CE 3.81Å; L201-M205 HydrophobicContact CD2-SD 4.44Å; L201-M205 HydrophobicContact CG-CE 3.73Å; L201-M205 HydrophobicContact CG-CG 4.49Å; L201-M205 HydrophobicContact CG-SD 4.12Å; L201-M205 WeakPolarHBondContact O-CB 3.32Å; L201-M205 WeakPolarHBondContact O-CG 3.3Å; L201-M205 PolarHBondContact O-N 3.27Å
202F81.8Confident81.6Confident10 Ų1053.5 Ų53.54%0.04428%0.275CS..Hα-helixtrans-68.5-35.1-177.8-70-69.9000111.3D199 L206 A235 F236 K239D199-F202 PolarHBondContact O-N 3.34Å; D199-F202 VanDerWaalsContact O-N 3.11Å; F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.46Å; F202-L206 PolarHBondContact O-N 3.02Å; F202-A235 HydrophobicContact CZ-CB 4.03Å; F202-F236 HydrophobicContact CD1-CD1 4.46Å; F202-F236 AromaticContact CE1-CD1 3.71Å; F202-F236 HydrophobicContact CE1-CD1 3.71Å; F202-F236 HydrophobicContact CE1-CD2 4.46Å; F202-F236 AromaticContact CE1-CE1 3.83Å; F202-F236 HydrophobicContact CE1-CE1 3.83Å; F202-F236 HydrophobicContact CE1-CG 4.04Å; F202-F236 HydrophobicContact CE1-CZ 4.26Å; F202-K239 HydrophobicContact CB-CB 4.19Å; F202-K239 HydrophobicContact CB-CD 4.15Å; F202-K239 HydrophobicContact CB-CG 3.96Å; F202-K239 HydrophobicContact CD1-CB 3.63Å; F202-K239 HydrophobicContact CD1-CG 3.67Å; F202-K239 HydrophobicContact CD2-CG 4.44Å; F202-K239 HydrophobicContact CE1-CB 4.31Å; F202-K239 HydrophobicContact CE1-CG 4.24Å; F202-K239 HydrophobicContact CG-CB 4.13Å; F202-K239 HydrophobicContact CG-CD 4.42Å; F202-K239 HydrophobicContact CG-CG 3.78Å
203E85.6Confident81.9Confident122 Ų12260.8 Ų60.857%0.5731%0.309SS*.Hα-helixtrans-64.1-47.5172.3-69.1179.4177.100111.7D199 L201 M205 L206 Q207D199-E203 PolarHBondContact O-N 3.32Å; D199-E203 VanDerWaalsContact O-N 3.15Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.83Å; E203-M205 PolarHBondContact O-N 3.48Å; E203-L206 PolarHBondContact O-N 3.18Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.31Å; E203-Q207 PolarHBondContact O-N 3.47Å
204E84.6Confident82.6Confident30 Ų3061.8 Ų61.814%0.1432%0.315CS..Hα-helixtrans-56.4-48174.8-178-173.999.300111.1P168 S192 R194 S200 L201 L206 Q207 V208P168-E204 HydrophobicContact CG-CG 3.55Å; S192-E204 PolarHBondContact OG-OE1 3.5Å; R194-E204 IonicContact CZ-OE2 3.71Å; R194-E204 IonicContact NH2-OE1 2.66Å; R194-E204 IonicContact NH2-OE2 3.08Å; R194-E204 PolarHBondContact NH2-OE2 2.97Å; S200-E204 WeakPolarHBondContact O-CB 3.3Å; S200-E204 PolarHBondContact O-N 3.15Å; L201-E204 PolarHBondContact O-N 2.91Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.42Å; E204-Q207 WeakPolarHBondContact O-CB 3.39Å; E204-Q207 PolarHBondContact O-N 3.21Å; E204-V208 WeakPolarHBondContact O-CG2 3.35Å; E204-V208 PolarHBondContact O-N 2.89Å
205M86Confident83.6Confident2 Ų264.1 Ų64.11%0.0133%0.329CS..Hα-helixtrans-63.4-38.2178-73.8179.5176.300112.9V107 S192 L201 E203 V208 A209 F236 V240V107-M205 HydrophobicContact CB-SD 4.3Å; V107-M205 HydrophobicContact CG1-CE 4.5Å; V107-M205 HydrophobicContact CG1-SD 4.04Å; S192-M205 VanDerWaalsContact O-CE 3.27Å; S192-M205 WeakPolarHBondContact O-CE 2.88Å; L201-M205 HydrophobicContact CD1-CE 3.63Å; L201-M205 HydrophobicContact CD1-CG 4.4Å; L201-M205 HydrophobicContact CD1-SD 4.43Å; L201-M205 HydrophobicContact CD2-CE 3.81Å; L201-M205 HydrophobicContact CD2-SD 4.44Å; L201-M205 HydrophobicContact CG-CE 3.73Å; L201-M205 HydrophobicContact CG-CG 4.49Å; L201-M205 HydrophobicContact CG-SD 4.12Å; L201-M205 WeakPolarHBondContact O-CB 3.32Å; L201-M205 WeakPolarHBondContact O-CG 3.3Å; L201-M205 PolarHBondContact O-N 3.27Å; E203-M205 PolarHBondContact O-N 3.48Å; M205-V208 PolarHBondContact O-N 2.93Å; M205-A209 VanDerWaalsContact O-CB 3.3Å; M205-A209 WeakPolarHBondContact O-CB 3.18Å; M205-A209 PolarHBondContact O-N 3.16Å; M205-F236 HydrophobicContact CE-CE1 4.03Å; M205-F236 HydrophobicContact SD-CD1 4.32Å; M205-F236 HydrophobicContact SD-CE1 3.69Å; M205-V240 HydrophobicContact CB-CG1 4.46Å
206L89Confident84.7Confident76 Ų7659.2 Ų59.240%0.39831%0.307SS..Hα-helixtrans-67.5-39.9176.9-175.664.6000111F202 E203 E204 A209 N210F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.46Å; F202-L206 PolarHBondContact O-N 3.02Å; E203-L206 PolarHBondContact O-N 3.18Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.42Å; L206-A209 PolarHBondContact O-N 3.41Å; L206-N210 VanDerWaalsContact O-CB 3.31Å; L206-N210 WeakPolarHBondContact O-CB 3.33Å; L206-N210 PolarHBondContact O-N 3.07Å; L206-N210 PolarHBondContact O-ND2 3.4Å
207Q91.1Very high86.4Confident110 Ų11057.5 Ų57.551%0.51430%0.3SS..Hα-helixtrans-61.9-46.9174.3-70.8171.7-3.800111.3V169 E203 E204 A209 N210 A211V169-Q207 HydrophobicContact CG2-CB 3.78Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.31Å; E203-Q207 PolarHBondContact O-N 3.47Å; E204-Q207 WeakPolarHBondContact O-CB 3.39Å; E204-Q207 PolarHBondContact O-N 3.21Å; Q207-A209 PolarHBondContact O-N 2.83Å; Q207-N210 PolarHBondContact O-N 2.87Å; Q207-A211 WeakPolarHBondContact O-CB 3.41Å; Q207-A211 PolarHBondContact O-N 3.36Å
208V91.9Very high88Confident3 Ų349.4 Ų49.42%0.01826%0.262CS..Hα-helixtrans-59.9-47.4175.6174.10000110.8M105 P168 V169 A172 E204 M205 N210 A211 I212M105-V208 HydrophobicContact SD-CG1 3.99Å; P168-V208 HydrophobicContact CB-CG2 4.1Å; P168-V208 HydrophobicContact CG-CG2 4.28Å; V169-V208 HydrophobicContact CG2-CG2 3.88Å; A172-V208 HydrophobicContact CB-CG1 3.84Å; E204-V208 WeakPolarHBondContact O-CG2 3.35Å; E204-V208 PolarHBondContact O-N 2.89Å; M205-V208 PolarHBondContact O-N 2.93Å; V208-N210 PolarHBondContact O-N 3.11Å; V208-A211 PolarHBondContact O-N 3.06Å; V208-I212 HydrophobicContact CG1-CD1 4.16Å; V208-I212 WeakPolarHBondContact O-CG1 3.41Å; V208-I212 PolarHBondContact O-N 3.45Å
209A92.8Very high89.2Confident10 Ų1046.5 Ų46.58%0.08325%0.249CC..Hα-helixtrans-60.8-42.917900000112.4M105 M205 L206 Q207 A211 Q213 P214M105-A209 HydrophobicContact CE-CB 3.95Å; M105-A209 HydrophobicContact SD-CB 4.01Å; M205-A209 VanDerWaalsContact O-CB 3.3Å; M205-A209 WeakPolarHBondContact O-CB 3.18Å; M205-A209 PolarHBondContact O-N 3.16Å; L206-A209 PolarHBondContact O-N 3.41Å; Q207-A209 PolarHBondContact O-N 2.83Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.29Å; A209-Q213 WeakPolarHBondContact O-CA 3.5Å; A209-Q213 PolarHBondContact O-N 3.5Å; A209-P214 WeakPolarHBondContact O-CD 3.46Å
210N93Very high89.9Confident106 Ų10641.3 Ų41.357%0.56722%0.221SC*.Hα-helixtrans-66.4-35.5178.3-73.2-22.9000112.1L206 Q207 V208L206-N210 VanDerWaalsContact O-CB 3.31Å; L206-N210 WeakPolarHBondContact O-CB 3.33Å; L206-N210 PolarHBondContact O-N 3.07Å; L206-N210 PolarHBondContact O-ND2 3.4Å; Q207-N210 PolarHBondContact O-N 2.87Å; V208-N210 PolarHBondContact O-N 3.11Å
211A93.5Very high90.3Very high47 Ų4738.2 Ų38.239%0.38820%0.199SC..Hα-helixtrans-73.2-44.2-179.800000112.7V169 S173 Q207 V208 A209V169-A211 HydrophobicContact CG1-CB 3.6Å; S173-A211 WeakPolarHBondContact OG-CB 3.28Å; Q207-A211 WeakPolarHBondContact O-CB 3.41Å; Q207-A211 PolarHBondContact O-N 3.36Å; V208-A211 PolarHBondContact O-N 3.06Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.29Å
212I93.4Very high90.8Very high6 Ų638.9 Ų38.93%0.03120%0.203CC..Hα-helixtrans-90.6-19.2-176.273.3-176000114.3V103 M105 A172 V176 V189 V208 P214V103-I212 HydrophobicContact CG1-CD1 4.18Å; V103-I212 HydrophobicContact CG1-CG1 4.34Å; M105-I212 HydrophobicContact CB-CD1 4.2Å; M105-I212 HydrophobicContact CG-CD1 4.16Å; M105-I212 HydrophobicContact SD-CD1 4.01Å; A172-I212 HydrophobicContact CB-CG2 3.71Å; V176-I212 HydrophobicContact CG2-CB 4.14Å; V176-I212 HydrophobicContact CG2-CG2 3.99Å; V189-I212 HydrophobicContact CB-CD1 4.35Å; V189-I212 HydrophobicContact CG1-CD1 4.45Å; V189-I212 HydrophobicContact CG2-CD1 3.97Å; V208-I212 HydrophobicContact CG1-CD1 4.16Å; V208-I212 WeakPolarHBondContact O-CG1 3.41Å; V208-I212 PolarHBondContact O-N 3.45Å; I212-P214 HydrophobicContact CD1-CB 4.37Å; I212-P214 HydrophobicContact CG1-CB 4.34Å; I212-P214 HydrophobicContact CG1-CG 4.33Å
213Q92.8Very high90.9Very high153 Ų15338.4 Ų38.472%0.71520%0.201SC*.  trans48.769.3-175.1-61.2-177.3-22.500112.4A209A209-Q213 WeakPolarHBondContact O-CA 3.5Å; A209-Q213 PolarHBondContact O-N 3.5Å
214P94.4Very high90.6Very high28 Ų2835.4 Ų35.418%0.18219%0.194CC..  trans-69.3139.3-173.829.9-33.5000112V103 M105 A209 I212 N216 I217V103-P214 HydrophobicContact CG1-CB 4.29Å; V103-P214 CarbonylContact O-C 3.55Å; M105-P214 HydrophobicContact CB-CB 3.82Å; M105-P214 HydrophobicContact CB-CG 4.06Å; M105-P214 HydrophobicContact SD-CG 4.38Å; A209-P214 WeakPolarHBondContact O-CD 3.46Å; I212-P214 HydrophobicContact CD1-CB 4.37Å; I212-P214 HydrophobicContact CG1-CB 4.34Å; I212-P214 HydrophobicContact CG1-CG 4.33Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 2.72Å; P214-I217 HydrophobicContact CB-CG1 4.35Å; P214-I217 HydrophobicContact CG-CD1 4.02Å; P214-I217 HydrophobicContact CG-CG1 3.68Å
215D94.5Very high90.3Very high80 Ų8036 Ų3643%0.42820%0.197SC..SBendtrans-70.2-25.3174-61.6-80.1000112.4W94 N102 V103W94-D215 HydrophobicContact CZ2-CB 3.77Å; W94-D215 PolarHBondContact NE1-O 2.92Å; N102-D215 WeakPolarHBondContact CA-OD2 3.36Å; V103-D215 PolarHBondContact N-OD2 3.34Å; V103-D215 PolarHBondContact O-N 3.38Å
216N94Very high89.8Confident3 Ų336 Ų362%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-148.6129.9178-171.718.1000110.9W94 V103 I104 M105 P214 A243 S244W94-N216 HydrophobicContact CD2-CB 3.65Å; W94-N216 HydrophobicContact CE3-CB 3.79Å; W94-N216 HydrophobicContact CG-CB 4.1Å; W94-N216 HydrophobicContact CH2-CB 4.19Å; W94-N216 HydrophobicContact CZ2-CB 4.11Å; W94-N216 HydrophobicContact CZ3-CB 4.04Å; V103-N216 PolarHBondContact O-N 2.93Å; I104-N216 WeakPolarHBondContact CA-O 3.36Å; I104-N216 HydrophobicContact CG2-CB 4.47Å; M105-N216 PolarHBondContact N-O 3.4Å; P214-N216 VanDerWaalsContact C-N 3.27Å; P214-N216 PolarHBondContact O-N 2.72Å; N216-A243 VanDerWaalsContact OD1-CB 3.29Å; N216-A243 WeakPolarHBondContact OD1-CB 3.38Å; N216-S244 PolarHBondContact ND2-OG 3.31Å; N216-S244 PolarHBondContact OD1-OG 3.13Å
217I94.4Very high89Confident16 Ų1635.3 Ų35.38%0.08219%0.192CC..EExtended strand (participates in β ladder)trans-103.5118.6170.4-58.6178.4000108.4M105 V107 P214 V240 V242 A243 S244M105-I217 HydrophobicContact CB-CG1 4.46Å; M105-I217 HydrophobicContact CE-CD1 4.02Å; M105-I217 HydrophobicContact CE-CG1 4.2Å; M105-I217 HydrophobicContact CE-CG2 4.1Å; M105-I217 WeakPolarHBondContact O-CA 3.49Å; V107-I217 HydrophobicContact CG1-CG2 4.18Å; V107-I217 HydrophobicContact CG2-CG2 3.72Å; P214-I217 HydrophobicContact CB-CG1 4.35Å; P214-I217 HydrophobicContact CG-CD1 4.02Å; P214-I217 HydrophobicContact CG-CG1 3.68Å; I217-V240 HydrophobicContact CD1-CB 4.19Å; I217-V240 HydrophobicContact CG2-CG2 4.39Å; I217-V242 HydrophobicContact CG2-CG2 4.46Å; I217-A243 PolarHBondContact O-N 3.49Å; I217-S244 PolarHBondContact O-N 3.26Å
218V94.4Very high88.4Confident0 Ų032.7 Ų32.70%019%0.189CC..EExtended strand (participates in β ladder)trans-105.1117.4-176.3-177.40000109.7I104 M105 F106 V107 V220 S244 I246 I271I104-V218 HydrophobicContact CG2-CG2 3.51Å; M105-V218 PolarHBondContact O-N 3.33Å; F106-V218 HydrophobicContact CD2-CB 4.32Å; F106-V218 HydrophobicContact CE1-CG1 4.23Å; F106-V218 HydrophobicContact CE2-CB 4.28Å; F106-V218 HydrophobicContact CE2-CG2 4.27Å; F106-V218 HydrophobicContact CG-CB 4.48Å; F106-V218 HydrophobicContact CZ-CB 4.4Å; F106-V218 HydrophobicContact CZ-CG1 4.3Å; V107-V218 PolarHBondContact N-O 3.26Å; V218-V220 HydrophobicContact CG1-CG2 4.43Å; V218-S244 CarbonylContact C-O 3.57Å; V218-S244 WeakPolarHBondContact CA-O 3.44Å; V218-I246 HydrophobicContact CG1-CB 4.26Å; V218-I246 HydrophobicContact CG1-CD1 3.53Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; V218-I271 HydrophobicContact CG1-CD1 4.4Å; V218-I271 HydrophobicContact CG2-CD1 4.23Å
219Y92.3Very high87.7Confident1 Ų132.6 Ų32.60%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-85.8117.2171.3176.6-118.8000110.4V107 M221 Q232 A233 F236 V242 S244 V245 I246V107-Y219 HydrophobicContact CG2-CD2 4.4Å; V107-Y219 WeakPolarHBondContact O-CA 3.48Å; Y219-M221 HydrophobicContact CD1-CB 4.34Å; Y219-M221 HydrophobicContact CE1-CB 3.76Å; Y219-Q232 WeakPolarHBondContact OH-CB 3.24Å; Y219-A233 HydrophobicContact CD1-CB 4.48Å; Y219-A233 HydrophobicContact CE1-CB 3.86Å; Y219-F236 HydrophobicContact CD2-CB 4.33Å; Y219-F236 AromaticContact CD2-CD2 3.98Å; Y219-F236 HydrophobicContact CD2-CD2 3.98Å; Y219-F236 HydrophobicContact CD2-CG 4.05Å; Y219-F236 HydrophobicContact CE2-CB 4.48Å; Y219-F236 AromaticContact CE2-CD2 3.41Å; Y219-F236 HydrophobicContact CE2-CD2 3.41Å; Y219-F236 VanDerWaalsContact CE2-CD2 3.41Å; Y219-F236 AromaticContact CE2-CE2 3.76Å; Y219-F236 HydrophobicContact CE2-CE2 3.76Å; Y219-F236 AromaticContact CE2-CG 3.97Å; Y219-F236 HydrophobicContact CE2-CG 3.97Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; Y219-S244 PolarHBondContact N-O 3.37Å; Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.48Å; Y219-V245 CarbonylContact O-C 3.45Å; Y219-V245 WeakPolarHBondContact O-CA 3.03Å; Y219-I246 PolarHBondContact O-N 3.46Å
220V92.1Very high87.2Confident0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-97.4122.7176-173.50000110.1F106 V107 S112 K114 T117 V218 I246 T248F106-V220 HydrophobicContact CD1-CG2 3.38Å; F106-V220 HydrophobicContact CE1-CG2 3.75Å; F106-V220 HydrophobicContact CG-CG2 4.43Å; V107-V220 PolarHBondContact O-N 2.9Å; S112-V220 WeakPolarHBondContact CB-O 3.29Å; S112-V220 PolarHBondContact OG-O 3.38Å; K114-V220 HydrophobicContact CG-CB 3.95Å; K114-V220 HydrophobicContact CG-CG1 4.5Å; K114-V220 HydrophobicContact CG-CG2 4.21Å; T117-V220 HydrophobicContact CG2-CG2 4.42Å; V218-V220 HydrophobicContact CG1-CG2 4.43Å; V220-I246 WeakPolarHBondContact CA-O 3.44Å; V220-I246 HydrophobicContact CG2-CB 4.46Å; V220-T248 HydrophobicContact CG1-CG2 3.5Å; V220-T248 VanDerWaalsContact CG1-CG2 3.5Å
221M88Confident86.7Confident0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-123.1149.1-17966.9164.7-71.300112.3Y219 C229 V245 I246 V247 T248 G258 A259 A262Y219-M221 HydrophobicContact CD1-CB 4.34Å; Y219-M221 HydrophobicContact CE1-CB 3.76Å; M221-C229 HydrophobicContact CE-CB 4.28Å; M221-C229 WeakPolarHBondContact CE-SG 3.34Å; M221-V245 HydrophobicContact CG-CG1 4.08Å; M221-V245 HydrophobicContact SD-CG1 4.08Å; M221-I246 PolarHBondContact N-O 3.41Å; M221-V247 HydrophobicContact CG-CB 4.39Å; M221-V247 HydrophobicContact CG-CG1 4.49Å; M221-V247 HydrophobicContact CG-CG2 4Å; M221-V247 HydrophobicContact SD-CG2 3.98Å; M221-T248 PolarHBondContact O-N 2.78Å; M221-T248 PolarHBondContact O-OG1 3Å; M221-T248 VanDerWaalsContact O-OG1 3.11Å; M221-G258 WeakPolarHBondContact CE-O 3.27Å; M221-A259 HydrophobicContact CE-CB 4.45Å; M221-A262 HydrophobicContact CE-CB 4.08Å; M221-A262 HydrophobicContact SD-CB 3.18Å; M221-A262 WeakPolarHBondContact SD-CB 3.29Å
222D87.3Confident86.1Confident13 Ų1331.5 Ų31.57%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-89.9127.8172.1-175.6-14.1000109.5S224 I225 K249D222-S224 VanDerWaalsContact CG-OG 3.24Å; D222-S224 PolarHBondContact O-N 2.99Å; D222-S224 WeakPolarHBondContact OD1-CB 3.37Å; D222-S224 PolarHBondContact OD1-N 3.16Å; D222-S224 PolarHBondContact OD1-OG 3.06Å; D222-S224 PolarHBondContact OD2-OG 3.07Å; D222-I225 HydrophobicContact CB-CD1 3.91Å; D222-I225 HydrophobicContact CB-CG1 4.03Å; D222-I225 PolarHBondContact O-N 3.33Å; D222-K249 VanDerWaalsContact OD2-CD 3.32Å; D222-K249 WeakPolarHBondContact OD2-CD 3.41Å; D222-K249 VanDerWaalsContact OD2-CE 3.29Å; D222-K249 WeakPolarHBondContact OD2-CE 3.44Å; D222-K249 IonicContact OD2-NZ 3.79Å; D222-K249 PolarHBondContact OD2-NZ 2.95Å
223A83.1Confident85.7Confident0 Ų031.2 Ų31.20%018%0.179CC..THydrogen-bonded Turntrans-65.6-13.1177.400000113.9I225 V247 T248 L250 A254 K255A223-I225 VanDerWaalsContact C-N 3.35Å; A223-V247 HydrophobicContact CB-CG1 3.75Å; A223-T248 VanDerWaalsContact CB-O 3.31Å; A223-T248 WeakPolarHBondContact CB-O 3.36Å; A223-T248 PolarHBondContact N-O 2.95Å; A223-T248 VanDerWaalsContact N-O 3.13Å; A223-L250 HydrophobicContact CB-CD2 3.58Å; A223-A254 HydrophobicContact CB-CB 3.53Å; A223-K255 CarbonylContact O-C 3.6Å; A223-K255 PolarHBondContact O-N 3.41Å; A223-K255 VanDerWaalsContact O-N 3.16Å
224S80.5Confident85.3Confident60 Ų6029.4 Ų29.442%0.4217%0.168SC..THydrogen-bonded Turntrans-76.4-18.1177.577.10000114.3D222 G226D222-S224 VanDerWaalsContact CG-OG 3.24Å; D222-S224 PolarHBondContact O-N 2.99Å; D222-S224 WeakPolarHBondContact OD1-CB 3.37Å; D222-S224 PolarHBondContact OD1-N 3.16Å; D222-S224 PolarHBondContact OD1-OG 3.06Å; D222-S224 PolarHBondContact OD2-OG 3.07Å; S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 2.85Å
225I78.7Confident84.9Confident43 Ų4329.4 Ų29.422%0.22117%0.17CC..SBendtrans-67.2-27.2-170.6-64.9173.8000112.4L109 D222 A223 A228 C229L109-I225 HydrophobicContact CD1-CD1 4.44Å; D222-I225 HydrophobicContact CB-CD1 3.91Å; D222-I225 HydrophobicContact CB-CG1 4.03Å; D222-I225 PolarHBondContact O-N 3.33Å; A223-I225 VanDerWaalsContact C-N 3.35Å; I225-A228 HydrophobicContact CG2-CB 3.87Å; I225-C229 HydrophobicContact CB-CB 4.43Å; I225-C229 HydrophobicContact CG2-CB 4Å
226G74.1Confident84.5Confident0 Ų025.6 Ų25.60%015%0.15CC..THydrogen-bonded Turntrans63.1-137.1179.500000112.7D43 S224 A228 C229 G258D43-G226 WeakPolarHBondContact OD2-CA 3.36Å; S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 2.85Å; G226-A228 VanDerWaalsContact C-N 3.28Å; G226-A228 PolarHBondContact O-N 3.18Å; G226-C229 WeakPolarHBondContact O-CB 3.33Å; G226-C229 PolarHBondContact O-N 3.45Å; G226-C229 VanDerWaalsContact O-N 3.16Å; G226-G258 WeakPolarHBondContact O-CA 3.42Å
227Q73.4Confident84.1Confident62 Ų6228.3 Ų28.329%0.2916%0.162SC..THydrogen-bonded Turntrans-62.8-30.5-172.5-56-124.4-12.600114.3D43 V44 C229 E230D43-Q227 WeakPolarHBondContact O-CG 3.47Å; D43-Q227 WeakPolarHBondContact OD1-CG 3.46Å; V44-Q227 PolarHBondContact O-NE2 3.43Å; Q227-C229 PolarHBondContact O-N 2.86Å; Q227-E230 PolarHBondContact O-N 3Å; Q227-E230 VanDerWaalsContact O-N 3.16Å
228A77.2Confident83.7Confident56 Ų5633 Ų3346%0.46319%0.187SC..Hα-helixtrans-61.3-15.7-179.500000112.7I225 G226 Q232I225-A228 HydrophobicContact CG2-CB 3.87Å; G226-A228 VanDerWaalsContact C-N 3.28Å; G226-A228 PolarHBondContact O-N 3.18Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å
229C79.1Confident83.2Confident0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-65.4-34.5177.5-166.10000112.8M221 I225 G226 Q227 A231 Q232 A233M221-C229 HydrophobicContact CE-CB 4.28Å; M221-C229 WeakPolarHBondContact CE-SG 3.34Å; I225-C229 HydrophobicContact CB-CB 4.43Å; I225-C229 HydrophobicContact CG2-CB 4Å; G226-C229 WeakPolarHBondContact O-CB 3.33Å; G226-C229 PolarHBondContact O-N 3.45Å; G226-C229 VanDerWaalsContact O-N 3.16Å; Q227-C229 PolarHBondContact O-N 2.86Å; C229-A231 PolarHBondContact O-N 3.19Å; C229-Q232 WeakPolarHBondContact O-CA 3.47Å; C229-Q232 WeakPolarHBondContact O-CB 3.46Å; C229-Q232 PolarHBondContact O-N 3.15Å; C229-A233 VanDerWaalsContact O-CB 3.3Å; C229-A233 WeakPolarHBondContact O-CB 3.45Å; C229-A233 PolarHBondContact O-N 2.99Å
230E81Confident82.8Confident68 Ų6838.6 Ų38.632%0.31821%0.212SC..Hα-helixtrans-58.8-52.1-177.5-172-172.1156.500111.5N45 Q227 Q232 A233 K234 A265N45-E230 PolarHBondContact ND2-OE2 3.5Å; Q227-E230 PolarHBondContact O-N 3Å; Q227-E230 VanDerWaalsContact O-N 3.16Å; E230-Q232 PolarHBondContact O-N 3.42Å; E230-Q232 VanDerWaalsContact O-N 3.16Å; E230-A233 PolarHBondContact O-N 3.48Å; E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.23Å; E230-K234 PolarHBondContact O-N 3.42Å; E230-A265 HydrophobicContact CB-CB 4.49Å; E230-A265 HydrophobicContact CG-CB 3.79Å; E230-A265 WeakPolarHBondContact O-CB 3.48Å
231A81.9Confident82.6Confident57 Ų5744 Ų4447%0.47124%0.241SC..Hα-helixtrans-63.9-23.1177.900000111.8K196 C229 A235K196-A231 WeakPolarHBondContact CE-O 3.44Å; K196-A231 PolarHBondContact NZ-O 3.45Å; C229-A231 PolarHBondContact O-N 3.19Å; A231-A235 WeakPolarHBondContact O-CB 3.4Å; A231-A235 PolarHBondContact O-N 2.89Å
232Q81.8Confident82.6Confident16 Ų1644 Ų448%0.07524%0.241CC..Hα-helixtrans-78.9-55.8179.8-70.616611.800110.8L109 K196 Y219 A228 C229 E230 K234 A235 F236L109-Q232 HydrophobicContact CD1-CG 3.93Å; L109-Q232 VanDerWaalsContact CD1-NE2 3.31Å; K196-Q232 HydrophobicContact CD-CB 4.33Å; K196-Q232 HydrophobicContact CD-CG 3.28Å; K196-Q232 HydrophobicContact CG-CG 3.86Å; K196-Q232 VanDerWaalsContact NZ-CA 3.29Å; Y219-Q232 WeakPolarHBondContact OH-CB 3.24Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å; C229-Q232 WeakPolarHBondContact O-CA 3.47Å; C229-Q232 WeakPolarHBondContact O-CB 3.46Å; C229-Q232 PolarHBondContact O-N 3.15Å; E230-Q232 PolarHBondContact O-N 3.42Å; E230-Q232 VanDerWaalsContact O-N 3.16Å; Q232-K234 PolarHBondContact O-N 3.03Å; Q232-A235 PolarHBondContact O-N 3.32Å; Q232-A235 VanDerWaalsContact O-N 3.07Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.44Å; Q232-F236 PolarHBondContact O-N 3.46Å
233A84.2Confident82.7Confident0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-51.9-42.4174.600000110.8Y219 C229 E230 F236 K237 A262 A265 T266Y219-A233 HydrophobicContact CD1-CB 4.48Å; Y219-A233 HydrophobicContact CE1-CB 3.86Å; C229-A233 VanDerWaalsContact O-CB 3.3Å; C229-A233 WeakPolarHBondContact O-CB 3.45Å; C229-A233 PolarHBondContact O-N 2.99Å; E230-A233 PolarHBondContact O-N 3.48Å; A233-F236 PolarHBondContact O-N 2.86Å; A233-K237 WeakPolarHBondContact O-CB 3.26Å; A233-K237 PolarHBondContact O-N 3.16Å; A233-A262 HydrophobicContact CB-CB 4.11Å; A233-A265 HydrophobicContact CB-CB 3.83Å; A233-T266 HydrophobicContact CB-CG2 3.65Å
234K85.8Confident83.1Confident115 Ų11545.1 Ų45.150%0.525%0.252SS..Hα-helixtrans-62.8-48.7174.8-171175.7-179.7-177.30113.3E230 Q232 F236 K237 D238 A265E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.23Å; E230-K234 PolarHBondContact O-N 3.42Å; Q232-K234 PolarHBondContact O-N 3.03Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.22Å; K234-K237 PolarHBondContact O-N 2.79Å; K234-K237 VanDerWaalsContact O-N 3.13Å; K234-D238 WeakPolarHBondContact O-CB 3.22Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 3.25Å; K234-A265 HydrophobicContact CB-CB 4.46Å
235A85.1Confident83.6Confident27 Ų2742.2 Ų42.222%0.22323%0.232CC..Hα-helixtrans-60.3-38.7179.500000112.5F202 A231 Q232 K239F202-A235 HydrophobicContact CZ-CB 4.03Å; A231-A235 WeakPolarHBondContact O-CB 3.4Å; A231-A235 PolarHBondContact O-N 2.89Å; Q232-A235 PolarHBondContact O-N 3.32Å; Q232-A235 VanDerWaalsContact O-N 3.07Å; A235-K239 WeakPolarHBondContact O-CG 3.31Å; A235-K239 PolarHBondContact O-N 3.35Å
236F85.5Confident84.3Confident1 Ų140.2 Ų40.20%0.00422%0.221CC..Hα-helixtrans-67-46.2172.6-79.6-79.1000111.8V107 L109 F202 M205 Y219 Q232 A233 K234 D238 K239 V240 V242V107-F236 HydrophobicContact CB-CD1 4.28Å; V107-F236 HydrophobicContact CB-CE1 4.31Å; V107-F236 HydrophobicContact CG2-CD1 4.26Å; L109-F236 HydrophobicContact CD2-CE2 3.91Å; L109-F236 HydrophobicContact CD2-CZ 4.24Å; L109-F236 HydrophobicContact CG-CE2 4.4Å; F202-F236 HydrophobicContact CD1-CD1 4.46Å; F202-F236 AromaticContact CE1-CD1 3.71Å; F202-F236 HydrophobicContact CE1-CD1 3.71Å; F202-F236 HydrophobicContact CE1-CD2 4.46Å; F202-F236 AromaticContact CE1-CE1 3.83Å; F202-F236 HydrophobicContact CE1-CE1 3.83Å; F202-F236 HydrophobicContact CE1-CG 4.04Å; F202-F236 HydrophobicContact CE1-CZ 4.26Å; M205-F236 HydrophobicContact CE-CE1 4.03Å; M205-F236 HydrophobicContact SD-CD1 4.32Å; M205-F236 HydrophobicContact SD-CE1 3.69Å; Y219-F236 HydrophobicContact CD2-CB 4.33Å; Y219-F236 AromaticContact CD2-CD2 3.98Å; Y219-F236 HydrophobicContact CD2-CD2 3.98Å; Y219-F236 HydrophobicContact CD2-CG 4.05Å; Y219-F236 HydrophobicContact CE2-CB 4.48Å; Y219-F236 AromaticContact CE2-CD2 3.41Å; Y219-F236 HydrophobicContact CE2-CD2 3.41Å; Y219-F236 VanDerWaalsContact CE2-CD2 3.41Å; Y219-F236 AromaticContact CE2-CE2 3.76Å; Y219-F236 HydrophobicContact CE2-CE2 3.76Å; Y219-F236 AromaticContact CE2-CG 3.97Å; Y219-F236 HydrophobicContact CE2-CG 3.97Å; Q232-F236 VanDerWaalsContact O-CD2 3.3Å; Q232-F236 WeakPolarHBondContact O-CD2 3.44Å; Q232-F236 PolarHBondContact O-N 3.46Å; A233-F236 PolarHBondContact O-N 2.86Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.22Å; F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 2.69Å; F236-K239 PolarHBondContact O-N 3.16Å; F236-K239 VanDerWaalsContact O-N 3.16Å; F236-V240 HydrophobicContact CD1-CG2 4.47Å; F236-V240 WeakPolarHBondContact O-CG2 3.49Å; F236-V240 PolarHBondContact O-N 3.22Å; F236-V242 HydrophobicContact CB-CG2 4.19Å
237K85.7Confident85Confident60 Ų6040.2 Ų40.226%0.26122%0.221SC..Hα-helixtrans-61.6-35.1179.4-175.458.7173.3178.10113.3A233 K234 K239 V240 D241 V242 T266A233-K237 WeakPolarHBondContact O-CB 3.26Å; A233-K237 PolarHBondContact O-N 3.16Å; K234-K237 PolarHBondContact O-N 2.79Å; K234-K237 VanDerWaalsContact O-N 3.13Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.95Å; K237-V240 CarbonylContact C-O 3.49Å; K237-V240 WeakPolarHBondContact CA-O 3.4Å; K237-D241 IonicContact NZ-OD1 2.69Å; K237-D241 PolarHBondContact NZ-OD1 3.15Å; K237-V242 HydrophobicContact CD-CB 4.18Å; K237-V242 PolarHBondContact NZ-O 2.93Å; K237-T266 HydrophobicContact CB-CG2 4.26Å; K237-T266 WeakPolarHBondContact CE-O 3.49Å
238D86.4Confident85.8Confident114 Ų11437.6 Ų37.661%0.6121%0.21SC*.Hα-helixtrans-72.3-21.4179.5-68.5-16.3000112.5K234 F236K234-D238 WeakPolarHBondContact O-CB 3.22Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 3.25Å; F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 2.69Å
239K84.7Confident86.1Confident112 Ų11239.1 Ų39.149%0.48721%0.206SC..Hα-helixtrans-106.5-36.8-176.1-66.7-70.3-171.5170.90113.6F202 A235 F236 K237F202-K239 HydrophobicContact CB-CB 4.19Å; F202-K239 HydrophobicContact CB-CD 4.15Å; F202-K239 HydrophobicContact CB-CG 3.96Å; F202-K239 HydrophobicContact CD1-CB 3.63Å; F202-K239 HydrophobicContact CD1-CG 3.67Å; F202-K239 HydrophobicContact CD2-CG 4.44Å; F202-K239 HydrophobicContact CE1-CB 4.31Å; F202-K239 HydrophobicContact CE1-CG 4.24Å; F202-K239 HydrophobicContact CG-CB 4.13Å; F202-K239 HydrophobicContact CG-CD 4.42Å; F202-K239 HydrophobicContact CG-CG 3.78Å; A235-K239 WeakPolarHBondContact O-CG 3.31Å; A235-K239 PolarHBondContact O-N 3.35Å; F236-K239 PolarHBondContact O-N 3.16Å; F236-K239 VanDerWaalsContact O-N 3.16Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.95Å
240V84.6Confident86.2Confident6 Ų639.4 Ų39.44%0.03621%0.207CC..SBendtrans-131142.3178.2-67.70000109.5V107 M205 I217 F236 K237 V242V107-V240 HydrophobicContact CG2-CG2 4.45Å; M205-V240 HydrophobicContact CB-CG1 4.46Å; I217-V240 HydrophobicContact CD1-CB 4.19Å; I217-V240 HydrophobicContact CG2-CG2 4.39Å; F236-V240 HydrophobicContact CD1-CG2 4.47Å; F236-V240 WeakPolarHBondContact O-CG2 3.49Å; F236-V240 PolarHBondContact O-N 3.22Å; K237-V240 CarbonylContact C-O 3.49Å; K237-V240 WeakPolarHBondContact CA-O 3.4Å; V240-V242 HydrophobicContact CG2-CG2 3.98Å; V240-V242 PolarHBondContact O-N 3.42Å
241D86.6Confident86Confident115 Ų11539.6 Ų39.662%0.61521%0.21SC*.  trans-75.878.7-178.9-169.220.5000111.4K237 A243K237-D241 IonicContact NZ-OD1 2.69Å; K237-D241 PolarHBondContact NZ-OD1 3.15Å; D241-A243 PolarHBondContact O-N 2.82Å; D241-A243 VanDerWaalsContact O-N 3.08Å
242V88.1Confident85.4Confident0 Ų038.3 Ų38.30%020%0.203CC..  trans-62.6112.2176.2178.70000108.7V107 I217 Y219 F236 K237 V240 S244 S268V107-V242 HydrophobicContact CG2-CG2 4.48Å; I217-V242 HydrophobicContact CG2-CG2 4.46Å; Y219-V242 VanDerWaalsContact CB-CG1 3.46Å; F236-V242 HydrophobicContact CB-CG2 4.19Å; K237-V242 HydrophobicContact CD-CB 4.18Å; K237-V242 PolarHBondContact NZ-O 2.93Å; V240-V242 HydrophobicContact CG2-CG2 3.98Å; V240-V242 PolarHBondContact O-N 3.42Å; V242-S244 WeakPolarHBondContact CG1-O 3.35Å; V242-S268 PolarHBondContact O-OG 3.04Å
243A88.9Confident84.6Confident35 Ų3545.8 Ų45.829%0.28924%0.238SC..  trans-96.3-22.1179.800000112.5N216 I217 D241 P269N216-A243 VanDerWaalsContact OD1-CB 3.29Å; N216-A243 WeakPolarHBondContact OD1-CB 3.38Å; I217-A243 PolarHBondContact O-N 3.49Å; D241-A243 PolarHBondContact O-N 2.82Å; D241-A243 VanDerWaalsContact O-N 3.08Å; A243-P269 WeakPolarHBondContact O-CD 3.34Å
244S92.3Very high83.4Confident0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-141.8151.9-177.9-55.40000112.5N216 I217 V218 Y219 V242N216-S244 PolarHBondContact ND2-OG 3.31Å; N216-S244 PolarHBondContact OD1-OG 3.13Å; I217-S244 PolarHBondContact O-N 3.26Å; V218-S244 CarbonylContact C-O 3.57Å; V218-S244 WeakPolarHBondContact CA-O 3.44Å; Y219-S244 PolarHBondContact N-O 3.37Å; V242-S244 WeakPolarHBondContact CG1-O 3.35Å
245V91.4Very high82.4Confident0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-118.9140.1174.7-178.60000110.6Y219 M221 V247 P269 I270 I271Y219-V245 HydrophobicContact CD1-CG1 4.37Å; Y219-V245 HydrophobicContact CD1-CG2 4.48Å; Y219-V245 CarbonylContact O-C 3.45Å; Y219-V245 WeakPolarHBondContact O-CA 3.03Å; M221-V245 HydrophobicContact CG-CG1 4.08Å; M221-V245 HydrophobicContact SD-CG1 4.08Å; V245-V247 HydrophobicContact CG1-CG2 4.39Å; V245-P269 PolarHBondContact N-O 2.85Å; V245-I270 HydrophobicContact CB-CG1 4.23Å; V245-I270 HydrophobicContact CG1-CG1 4.34Å; V245-I270 CarbonylContact O-C 3.47Å; V245-I270 VanDerWaalsContact O-CA 3.28Å; V245-I270 WeakPolarHBondContact O-CA 2.95Å; V245-I271 WeakPolarHBondContact O-CG1 3.37Å; V245-I271 PolarHBondContact O-N 3.19Å
246I92.4Very high81.3Confident0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-121.5130.8167.6-64177.4000109.1F106 T117 V218 Y219 V220 M221 T248 I271 F272 F282F106-I246 HydrophobicContact CE1-CD1 3.99Å; F106-I246 HydrophobicContact CZ-CD1 4.05Å; T117-I246 HydrophobicContact CG2-CB 4.36Å; T117-I246 HydrophobicContact CG2-CD1 3.79Å; T117-I246 HydrophobicContact CG2-CG2 3.66Å; V218-I246 HydrophobicContact CG1-CB 4.26Å; V218-I246 HydrophobicContact CG1-CD1 3.53Å; V218-I246 HydrophobicContact CG1-CG1 3.58Å; Y219-I246 PolarHBondContact O-N 3.46Å; V220-I246 WeakPolarHBondContact CA-O 3.44Å; V220-I246 HydrophobicContact CG2-CB 4.46Å; M221-I246 PolarHBondContact N-O 3.41Å; I246-T248 HydrophobicContact CG2-CG2 4.4Å; I246-I271 HydrophobicContact CD1-CD1 4.15Å; I246-I271 HydrophobicContact CD1-CG1 4.31Å; I246-I271 HydrophobicContact CG1-CD1 4.06Å; I246-I271 HydrophobicContact CG1-CG1 3.71Å; I246-F272 HydrophobicContact CD1-CB 4.25Å; I246-F272 HydrophobicContact CG1-CB 4.1Å; I246-F272 HydrophobicContact CG2-CB 4.31Å; I246-F282 HydrophobicContact CD1-CZ 4.09Å; I246-F282 HydrophobicContact CG2-CE2 4.05Å
247V89.5Confident80.4Confident1 Ų143.7 Ų43.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-104126.2178.9-174.90000109.5M221 A223 V245 L250 A259 I270 F272 I273 G274M221-V247 HydrophobicContact CG-CB 4.39Å; M221-V247 HydrophobicContact CG-CG1 4.49Å; M221-V247 HydrophobicContact CG-CG2 4Å; M221-V247 HydrophobicContact SD-CG2 3.98Å; A223-V247 HydrophobicContact CB-CG1 3.75Å; V245-V247 HydrophobicContact CG1-CG2 4.39Å; V247-L250 HydrophobicContact CG1-CD2 3.8Å; V247-L250 HydrophobicContact CG1-CG 4.25Å; V247-A259 HydrophobicContact CG1-CB 4.01Å; V247-A259 HydrophobicContact CG2-CB 3.75Å; V247-I270 HydrophobicContact CG2-CD1 3.92Å; V247-I270 HydrophobicContact CG2-CG1 4.3Å; V247-I270 HydrophobicContact CG2-CG2 4.15Å; V247-F272 PolarHBondContact N-O 3.46Å; V247-I273 HydrophobicContact CB-CG2 4.31Å; V247-I273 CarbonylContact O-C 3.56Å; V247-I273 WeakPolarHBondContact O-CA 3.22Å; V247-G274 PolarHBondContact O-N 3.37Å
248T89.4Confident79.6Confident7 Ų740.8 Ų40.84%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-110.3170-178.868.70000111.8S112 T117 V220 M221 A223 I246 L250S112-T248 WeakPolarHBondContact O-CG2 3.48Å; S112-T248 PolarHBondContact O-OG1 3.23Å; T117-T248 VanDerWaalsContact OG1-CG2 3.31Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.33Å; V220-T248 HydrophobicContact CG1-CG2 3.5Å; V220-T248 VanDerWaalsContact CG1-CG2 3.5Å; M221-T248 PolarHBondContact O-N 2.78Å; M221-T248 PolarHBondContact O-OG1 3Å; M221-T248 VanDerWaalsContact O-OG1 3.11Å; A223-T248 VanDerWaalsContact CB-O 3.31Å; A223-T248 WeakPolarHBondContact CB-O 3.36Å; A223-T248 PolarHBondContact N-O 2.95Å; A223-T248 VanDerWaalsContact N-O 3.13Å; I246-T248 HydrophobicContact CG2-CG2 4.4Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 3.47Å
249K84.9Confident79Confident87 Ų8736 Ų3638%0.37819%0.189SC..  trans59.132.7174.1-50.9-169.8-161.9161.90114.6G111 D222 D251 G252 A254 G274G111-K249 WeakPolarHBondContact O-CE 3.48Å; G111-K249 PolarHBondContact O-NZ 3.18Å; D222-K249 VanDerWaalsContact OD2-CD 3.32Å; D222-K249 WeakPolarHBondContact OD2-CD 3.41Å; D222-K249 VanDerWaalsContact OD2-CE 3.29Å; D222-K249 WeakPolarHBondContact OD2-CE 3.44Å; D222-K249 IonicContact OD2-NZ 3.79Å; D222-K249 PolarHBondContact OD2-NZ 2.95Å; K249-D251 VanDerWaalsContact C-OD1 3.23Å; K249-D251 VanDerWaalsContact CA-OD1 3.3Å; K249-D251 WeakPolarHBondContact CA-OD1 3.47Å; K249-D251 PolarHBondContact O-N 3.32Å; K249-G252 PolarHBondContact O-N 3.09Å; K249-A254 WeakPolarHBondContact O-CB 3.31Å; K249-G274 PolarHBondContact N-O 3.31Å
250L79.8Confident78.4Confident7 Ų731.6 Ų31.64%0.03717%0.171CC..THydrogen-bonded Turntrans-65.9-21178.9-70.9-175.2000113.6M1 L3 A223 V247 T248 G252 I273 G274 F290M1-L250 WeakPolarHBondContact CE-O 3.3Å; L3-L250 HydrophobicContact CD1-CD2 4Å; A223-L250 HydrophobicContact CB-CD2 3.58Å; V247-L250 HydrophobicContact CG1-CD2 3.8Å; V247-L250 HydrophobicContact CG1-CG 4.25Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 3.47Å; L250-G252 VanDerWaalsContact C-N 3.34Å; L250-I273 HydrophobicContact CD1-CB 3.64Å; L250-I273 HydrophobicContact CD1-CD1 3.97Å; L250-I273 HydrophobicContact CD1-CG1 4.38Å; L250-I273 HydrophobicContact CD1-CG2 3.72Å; L250-G274 PolarHBondContact N-O 3.43Å; L250-F290 HydrophobicContact CD1-CE2 4.3Å
251D76.6Confident77.8Confident71 Ų7131.3 Ų31.338%0.3817%0.169SC..THydrogen-bonded Turntrans-68.8-26.717554.7-47000114.3M1 K249 T275M1-D251 WeakPolarHBondContact CG-O 3.47Å; K249-D251 VanDerWaalsContact C-OD1 3.23Å; K249-D251 VanDerWaalsContact CA-OD1 3.3Å; K249-D251 WeakPolarHBondContact CA-OD1 3.47Å; K249-D251 PolarHBondContact O-N 3.32Å; D251-T275 WeakPolarHBondContact CB-O 3.37Å
252G69.7Low77.2Confident31 Ų3125.8 Ų25.832%0.3214%0.14SC..SBendtrans-78.4-156.4-176.500000114.7K249 L250 A254K249-G252 PolarHBondContact O-N 3.09Å; L250-G252 VanDerWaalsContact C-N 3.34Å; G252-A254 PolarHBondContact O-N 2.83Å
253H64.3Low76.7Confident173 Ų17326 Ų2680%0.80114%0.141SC*.SBendtrans-76.841.5168.4-65.2-76.6000111.7K255H253-K255 PolarHBondContact O-N 2.72Å
254A60.8Low76Confident2 Ų226.3 Ų26.32%0.01714%0.143CC..  trans-66.3115.4-174.500000112V2 A223 K249 G252 G256V2-A254 WeakPolarHBondContact CB-O 3.21Å; V2-A254 WeakPolarHBondContact CG1-O 3.39Å; A223-A254 HydrophobicContact CB-CB 3.53Å; K249-A254 WeakPolarHBondContact O-CB 3.31Å; G252-A254 PolarHBondContact O-N 2.83Å; A254-G256 PolarHBondContact O-N 3.22Å
255K63.2Low75.4Confident89 Ų8927.4 Ų27.439%0.38715%0.152SC..  trans-72.694.6170.3-65.9174.4169.1-168.10108.2D43 A223 H253 G257 G258D43-K255 HydrophobicContact CB-CB 4.04Å; D43-K255 HydrophobicContact CB-CD 3.75Å; D43-K255 HydrophobicContact CB-CG 4.3Å; D43-K255 WeakPolarHBondContact OD2-CD 3.46Å; D43-K255 IonicContact OD2-NZ 3.76Å; D43-K255 PolarHBondContact OD2-NZ 3.4Å; A223-K255 CarbonylContact O-C 3.6Å; A223-K255 PolarHBondContact O-N 3.41Å; A223-K255 VanDerWaalsContact O-N 3.16Å; H253-K255 PolarHBondContact O-N 2.72Å; K255-G257 PolarHBondContact O-N 3.03Å; K255-G258 PolarHBondContact O-N 2.85Å
256G62.9Low74.9Confident7 Ų727.5 Ų27.57%0.07215%0.153CC..THydrogen-bonded Turntrans-50.1-21.2-174.100000115.2A254 G258 A259A254-G256 PolarHBondContact O-N 3.22Å; G256-G258 VanDerWaalsContact C-N 3.26Å; G256-G258 PolarHBondContact O-N 2.99Å; G256-A259 PolarHBondContact O-N 2.68Å
257G65.4Low74.6Confident0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-65.6-19.4175.800000116.3A42 V44 K255 L260 S261A42-G257 PolarHBondContact O-N 2.88Å; A42-G257 VanDerWaalsContact O-N 3.14Å; V44-G257 VanDerWaalsContact CG2-CA 3.46Å; K255-G257 PolarHBondContact O-N 3.03Å; G257-L260 PolarHBondContact O-N 3.45Å; G257-S261 WeakPolarHBondContact O-CB 3.37Å; G257-S261 PolarHBondContact O-N 3.05Å; G257-S261 PolarHBondContact O-OG 3.39Å
258G69.9Low74.5Confident0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-61-47.4174.800000112.1M221 G226 K255 G256 L260 S261 A262M221-G258 WeakPolarHBondContact CE-O 3.27Å; G226-G258 WeakPolarHBondContact O-CA 3.42Å; K255-G258 PolarHBondContact O-N 2.85Å; G256-G258 VanDerWaalsContact C-N 3.26Å; G256-G258 PolarHBondContact O-N 2.99Å; G258-L260 PolarHBondContact O-N 3.28Å; G258-S261 PolarHBondContact O-N 3.49Å; G258-A262 PolarHBondContact O-N 2.96Å
259A73Confident74.5Confident12 Ų1235.3 Ų35.310%0.09919%0.188CC..Hα-helixtrans-61.1-44.8-179.800000112.2M221 V247 G256 S261 A262 V263 I270M221-A259 HydrophobicContact CE-CB 4.45Å; V247-A259 HydrophobicContact CG1-CB 4.01Å; V247-A259 HydrophobicContact CG2-CB 3.75Å; G256-A259 PolarHBondContact O-N 2.68Å; A259-S261 VanDerWaalsContact C-N 3.3Å; A259-S261 PolarHBondContact O-N 3.19Å; A259-A262 PolarHBondContact O-N 3.45Å; A259-V263 WeakPolarHBondContact O-CG2 3.33Å; A259-V263 PolarHBondContact O-N 3.04Å; A259-V263 VanDerWaalsContact O-N 3.09Å; A259-I270 HydrophobicContact CB-CD1 4.42Å
260L73.1Confident74.8Confident20 Ų2031.7 Ų31.711%0.10517%0.172CC..Hα-helixtrans-58.9-44176.2-63.3176000111.3V44 V87 G257 G258 A262 V263 A264V44-L260 HydrophobicContact CG1-CD1 4.34Å; V44-L260 HydrophobicContact CG2-CD1 3.9Å; V87-L260 HydrophobicContact CB-CD2 3.96Å; V87-L260 HydrophobicContact CG1-CD2 4.02Å; V87-L260 HydrophobicContact CG2-CD2 3.16Å; G257-L260 PolarHBondContact O-N 3.45Å; G258-L260 PolarHBondContact O-N 3.28Å; L260-A262 VanDerWaalsContact C-N 3.33Å; L260-A262 PolarHBondContact O-N 3.43Å; L260-V263 PolarHBondContact O-N 3.28Å; L260-A264 WeakPolarHBondContact O-CB 3.48Å; L260-A264 PolarHBondContact O-N 3.34Å
261S71.1Confident75.3Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-67.9-33.8180-540000112G257 G258 A259 A265G257-S261 WeakPolarHBondContact O-CB 3.37Å; G257-S261 PolarHBondContact O-N 3.05Å; G257-S261 PolarHBondContact O-OG 3.39Å; G258-S261 PolarHBondContact O-N 3.49Å; A259-S261 VanDerWaalsContact C-N 3.3Å; A259-S261 PolarHBondContact O-N 3.19Å; S261-A265 WeakPolarHBondContact O-CB 3.28Å; S261-A265 PolarHBondContact O-N 3.29Å
262A73.6Confident76.1Confident0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-70-42.1177.200000112.9M221 A233 G258 A259 L260 A264 A265 T266M221-A262 HydrophobicContact CE-CB 4.08Å; M221-A262 HydrophobicContact SD-CB 3.18Å; M221-A262 WeakPolarHBondContact SD-CB 3.29Å; A233-A262 HydrophobicContact CB-CB 4.11Å; G258-A262 PolarHBondContact O-N 2.96Å; A259-A262 PolarHBondContact O-N 3.45Å; L260-A262 VanDerWaalsContact C-N 3.33Å; L260-A262 PolarHBondContact O-N 3.43Å; A262-A264 VanDerWaalsContact C-N 3.35Å; A262-A265 PolarHBondContact O-N 2.92Å; A262-T266 WeakPolarHBondContact O-CB 3.37Å; A262-T266 PolarHBondContact O-N 2.94Å; A262-T266 PolarHBondContact O-OG1 3.25Å
263V78.7Confident77.1Confident4 Ų428.6 Ų28.62%0.02415%0.148CC..Hα-helixtrans-63-45.7174.1176.60000110.1V87 P89 A259 L260 A265 T266 K267 I270V87-V263 WeakPolarHBondContact O-CG1 3.4Å; P89-V263 HydrophobicContact CB-CG1 4.28Å; P89-V263 HydrophobicContact CG-CG1 4.21Å; A259-V263 WeakPolarHBondContact O-CG2 3.33Å; A259-V263 PolarHBondContact O-N 3.04Å; A259-V263 VanDerWaalsContact O-N 3.09Å; L260-V263 PolarHBondContact O-N 3.28Å; V263-A265 VanDerWaalsContact C-N 3.25Å; V263-A265 PolarHBondContact O-N 2.92Å; V263-T266 PolarHBondContact O-N 3.23Å; V263-K267 VanDerWaalsContact O-CA 3.28Å; V263-K267 WeakPolarHBondContact O-CA 3.43Å; V263-K267 PolarHBondContact O-N 3.02Å; V263-I270 HydrophobicContact CG2-CD1 3.48Å; V263-I270 VanDerWaalsContact CG2-CD1 3.48Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å
264A74.9Confident78.2Confident41 Ų4120.5 Ų20.534%0.33911%0.111SC..Hα-helixtrans-59.5-37.3177.700000112.3L48 L260 A262L48-A264 HydrophobicContact CD1-CB 3.81Å; L48-A264 HydrophobicContact CD2-CB 4.02Å; L260-A264 WeakPolarHBondContact O-CB 3.48Å; L260-A264 PolarHBondContact O-N 3.34Å; A262-A264 VanDerWaalsContact C-N 3.35Å
265A78.3Confident79.3Confident23 Ų2322 Ų2219%0.1912%0.12CC..Hα-helixtrans-74.8-46.517900000113.8E230 A233 K234 S261 A262 V263E230-A265 HydrophobicContact CB-CB 4.49Å; E230-A265 HydrophobicContact CG-CB 3.79Å; E230-A265 WeakPolarHBondContact O-CB 3.48Å; A233-A265 HydrophobicContact CB-CB 3.83Å; K234-A265 HydrophobicContact CB-CB 4.46Å; S261-A265 WeakPolarHBondContact O-CB 3.28Å; S261-A265 PolarHBondContact O-N 3.29Å; A262-A265 PolarHBondContact O-N 2.92Å; V263-A265 VanDerWaalsContact C-N 3.25Å; V263-A265 PolarHBondContact O-N 2.92Å
266T81.7Confident80.3Confident3 Ų318.4 Ų18.42%0.01811%0.109CC..Hα-helixtrans-84-26.2-174.652.80000113A233 K237 A262 V263 S268A233-T266 HydrophobicContact CB-CG2 3.65Å; K237-T266 HydrophobicContact CB-CG2 4.26Å; K237-T266 WeakPolarHBondContact CE-O 3.49Å; A262-T266 WeakPolarHBondContact O-CB 3.37Å; A262-T266 PolarHBondContact O-N 2.94Å; A262-T266 PolarHBondContact O-OG1 3.25Å; V263-T266 PolarHBondContact O-N 3.23Å; T266-S268 PolarHBondContact O-N 2.87Å; T266-S268 PolarHBondContact O-OG 2.82Å; T266-S268 PolarHBondContact OG1-N 3.45Å
267K85.2Confident81.4Confident156 Ų15626.1 Ų26.168%0.67814%0.143SC*.  trans55.324.5-165.2-55-178.9-179.51790112.9P89 V263P89-K267 WeakPolarHBondContact CB-O 3.49Å; V263-K267 VanDerWaalsContact O-CA 3.28Å; V263-K267 WeakPolarHBondContact O-CA 3.43Å; V263-K267 PolarHBondContact O-N 3.02Å
268S87.3Confident82.4Confident4 Ų432.8 Ų32.83%0.02817%0.174CC..  trans-106.5138.7-178.2-57.20000110V242 T266V242-S268 PolarHBondContact O-OG 3.04Å; T266-S268 PolarHBondContact O-N 2.87Å; T266-S268 PolarHBondContact O-OG 2.82Å; T266-S268 PolarHBondContact OG1-N 3.45Å
269P90.4Very high83.2Confident11 Ų1135.1 Ų35.17%0.07119%0.186CC..  trans-69.6144.6-176.726.2-33.1000111.7P89 A93 A243 V245P89-P269 HydrophobicContact CG-CB 4.15Å; A93-P269 HydrophobicContact CB-CB 4.26Å; A93-P269 HydrophobicContact CB-CG 4.05Å; A243-P269 WeakPolarHBondContact O-CD 3.34Å; V245-P269 PolarHBondContact N-O 2.85Å
270I90.2Very high83.7Confident11 Ų1138.8 Ų38.86%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-76.5125.8168-57.9169.3000107.9V87 V245 V247 A259 V263 F272 I273 F285V87-I270 HydrophobicContact CG1-CD1 4.08Å; V245-I270 HydrophobicContact CB-CG1 4.23Å; V245-I270 HydrophobicContact CG1-CG1 4.34Å; V245-I270 CarbonylContact O-C 3.47Å; V245-I270 VanDerWaalsContact O-CA 3.28Å; V245-I270 WeakPolarHBondContact O-CA 2.95Å; V247-I270 HydrophobicContact CG2-CD1 3.92Å; V247-I270 HydrophobicContact CG2-CG1 4.3Å; V247-I270 HydrophobicContact CG2-CG2 4.15Å; A259-I270 HydrophobicContact CB-CD1 4.42Å; V263-I270 HydrophobicContact CG2-CD1 3.48Å; V263-I270 VanDerWaalsContact CG2-CD1 3.48Å; V263-I270 HydrophobicContact CG2-CG1 3.45Å; V263-I270 VanDerWaalsContact CG2-CG1 3.45Å; I270-F272 WeakPolarHBondContact CG2-O 3.22Å; I270-I273 HydrophobicContact CG2-CG2 4.31Å; I270-F285 HydrophobicContact CB-CB 4.36Å; I270-F285 HydrophobicContact CB-CD1 3.56Å; I270-F285 HydrophobicContact CB-CE1 3.92Å; I270-F285 HydrophobicContact CB-CG 3.93Å; I270-F285 HydrophobicContact CD1-CE1 4.2Å; I270-F285 HydrophobicContact CD1-CZ 4.17Å; I270-F285 HydrophobicContact CG2-CB 3.71Å; I270-F285 HydrophobicContact CG2-CD1 3.76Å; I270-F285 HydrophobicContact CG2-CD2 4.02Å; I270-F285 HydrophobicContact CG2-CE1 4.36Å; I270-F285 HydrophobicContact CG2-CG 3.54Å; I270-F285 WeakPolarHBondContact O-CD1 3.5Å
271I91.9Very high84.4Confident21 Ų2139.5 Ų39.511%0.10821%0.208CC..EExtended strand (participates in β ladder)trans-101.1-33.8-177.454.9164.6000113A93 V218 V245 I246 F285A93-I271 HydrophobicContact CB-CG2 3.81Å; V218-I271 HydrophobicContact CG1-CD1 4.4Å; V218-I271 HydrophobicContact CG2-CD1 4.23Å; V245-I271 WeakPolarHBondContact O-CG1 3.37Å; V245-I271 PolarHBondContact O-N 3.19Å; I246-I271 HydrophobicContact CD1-CD1 4.15Å; I246-I271 HydrophobicContact CD1-CG1 4.31Å; I246-I271 HydrophobicContact CG1-CD1 4.06Å; I246-I271 HydrophobicContact CG1-CG1 3.71Å; I271-F285 PolarHBondContact O-N 3.25Å
272F92.5Very high85.3Confident9 Ų940.2 Ų40.24%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-145.8158.8-179-71.7-93.5000111.4L121 Y124 I246 V247 I270 F282 E283 P284L121-F272 HydrophobicContact CD1-CD2 3.86Å; L121-F272 HydrophobicContact CD1-CE1 4.42Å; L121-F272 HydrophobicContact CD1-CE2 3.53Å; L121-F272 HydrophobicContact CD1-CG 4.47Å; L121-F272 HydrophobicContact CD1-CZ 3.85Å; Y124-F272 AromaticContact CD1-CE1 3.8Å; Y124-F272 HydrophobicContact CD1-CE1 3.8Å; Y124-F272 AromaticContact CD1-CZ 3.78Å; Y124-F272 HydrophobicContact CD1-CZ 3.78Å; Y124-F272 HydrophobicContact CD2-CE1 4.28Å; Y124-F272 AromaticContact CE1-CE1 3.59Å; Y124-F272 HydrophobicContact CE1-CE1 3.59Å; Y124-F272 AromaticContact CE1-CZ 3.45Å; Y124-F272 HydrophobicContact CE1-CZ 3.45Å; Y124-F272 VanDerWaalsContact CE1-CZ 3.45Å; Y124-F272 HydrophobicContact CE2-CE1 4.11Å; Y124-F272 HydrophobicContact CG-CE1 4.12Å; Y124-F272 AromaticContact CZ-CE1 3.71Å; Y124-F272 AromaticContact CZ-CZ 3.97Å; I246-F272 HydrophobicContact CD1-CB 4.25Å; I246-F272 HydrophobicContact CG1-CB 4.1Å; I246-F272 HydrophobicContact CG2-CB 4.31Å; V247-F272 PolarHBondContact N-O 3.46Å; I270-F272 WeakPolarHBondContact CG2-O 3.22Å; F272-F282 HydrophobicContact CB-CD2 4.42Å; F272-F282 HydrophobicContact CB-CE1 3.92Å; F272-F282 HydrophobicContact CB-CE2 3.54Å; F272-F282 HydrophobicContact CB-CZ 3.25Å; F272-F282 AromaticContact CD1-CD1 3.81Å; F272-F282 HydrophobicContact CD1-CD1 3.81Å; F272-F282 AromaticContact CD1-CE1 3.26Å; F272-F282 HydrophobicContact CD1-CE1 3.26Å; F272-F282 HydrophobicContact CD1-CE2 4.34Å; F272-F282 AromaticContact CD1-CZ 3.59Å; F272-F282 HydrophobicContact CD1-CZ 3.59Å; F272-F282 HydrophobicContact CD2-CE1 4.22Å; F272-F282 HydrophobicContact CD2-CZ 4.05Å; F272-F282 HydrophobicContact CE1-CD1 4.26Å; F272-F282 AromaticContact CE1-CE1 3.74Å; F272-F282 HydrophobicContact CE1-CE1 3.74Å; F272-F282 HydrophobicContact CE1-CZ 4.42Å; F272-F282 HydrophobicContact CG-CD1 4.45Å; F272-F282 AromaticContact CG-CE1 3.55Å; F272-F282 HydrophobicContact CG-CE1 3.55Å; F272-F282 HydrophobicContact CG-CE2 4.14Å; F272-F282 AromaticContact CG-CZ 3.37Å; F272-F282 HydrophobicContact CG-CZ 3.37Å; F272-F282 HydrophobicContact CZ-CE1 4.41Å; F272-E283 WeakPolarHBondContact CA-O 3.1Å; F272-P284 HydrophobicContact CD1-CB 4.43Å; F272-P284 HydrophobicContact CD1-CG 4.39Å; F272-P284 HydrophobicContact CE1-CB 4.23Å; F272-P284 HydrophobicContact CE1-CG 3.93Å
273I89.7Confident86Confident14 Ų1442.1 Ų42.17%0.07222%0.22CC..EExtended strand (participates in β ladder)trans-127.113617253.4169.8000111.3V247 L250 I270 T275 E283 F285 F290V247-I273 HydrophobicContact CB-CG2 4.31Å; V247-I273 CarbonylContact O-C 3.56Å; V247-I273 WeakPolarHBondContact O-CA 3.22Å; L250-I273 HydrophobicContact CD1-CB 3.64Å; L250-I273 HydrophobicContact CD1-CD1 3.97Å; L250-I273 HydrophobicContact CD1-CG1 4.38Å; L250-I273 HydrophobicContact CD1-CG2 3.72Å; I270-I273 HydrophobicContact CG2-CG2 4.31Å; I273-T275 HydrophobicContact CD1-CG2 4.08Å; I273-T275 HydrophobicContact CG1-CG2 4.31Å; I273-E283 HydrophobicContact CG1-CB 4.22Å; I273-E283 PolarHBondContact N-O 3.04Å; I273-E283 PolarHBondContact O-N 2.94Å; I273-F285 HydrophobicContact CD1-CD2 4.44Å; I273-F285 HydrophobicContact CG2-CB 4.25Å; I273-F285 HydrophobicContact CG2-CD2 3.45Å; I273-F285 VanDerWaalsContact CG2-CD2 3.45Å; I273-F285 HydrophobicContact CG2-CE2 4.18Å; I273-F285 HydrophobicContact CG2-CG 4.21Å; I273-F290 HydrophobicContact CD1-CD2 4.43Å
274G88.6Confident86.5Confident3 Ų344.9 Ų44.93%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-92.1115.2170.400000110.2V247 K249 L250V247-G274 PolarHBondContact O-N 3.37Å; K249-G274 PolarHBondContact N-O 3.31Å; L250-G274 PolarHBondContact N-O 3.43Å
275T83.9Confident87.1Confident34 Ų3444 Ų4421%0.20923%0.226CC..  trans-104.613.8-174.350.70000113.3D251 I273 D281D251-T275 WeakPolarHBondContact CB-O 3.37Å; I273-T275 HydrophobicContact CD1-CG2 4.08Å; I273-T275 HydrophobicContact CG1-CG2 4.31Å; T275-D281 PolarHBondContact N-O 2.93Å
276G84.7Confident87.3Confident14 Ų1447.1 Ų47.114%0.14424%0.235CC..SBendtrans168.3-172.2-176.800000112.5K120 D281K120-G276 PolarHBondContact NZ-O 3.5Å; G276-D281 WeakPolarHBondContact CA-OD2 3.46Å
277E85.5Confident87.4Confident168 Ų16848.2 Ų48.279%0.78524%0.242SC*.SBendtrans-92.7-26.3-178.2-63.7-167.7157.300113.1D281E277-D281 PolarHBondContact N-OD2 3.37Å
278H86.1Confident87.3Confident140 Ų14046.3 Ų46.365%0.64824%0.235SC*.SBendtrans-71.3156.2-176.6-58-64.7000111.4K120 D280 D281K120-H278 WeakPolarHBondContact CE-O 3.34Å; K120-H278 PolarHBondContact NZ-O 3.37Å; H278-D280 PolarHBondContact O-N 2.93Å; H278-D281 VanDerWaalsContact CB-OD2 3.27Å; H278-D281 WeakPolarHBondContact CB-OD2 3.46Å; H278-D281 IonicContact CD2-OD2 3.69Å; H278-D281 PolarHBondContact CD2-OD2 2.94Å; H278-D281 IonicContact CG-OD2 2.74Å; H278-D281 PolarHBondContact N-OD2 3.44Å; H278-D281 WeakPolarHBondContact O-CB 3.47Å; H278-D281 PolarHBondContact O-N 3.09Å
279I86.3Confident87Confident50 Ų5046.8 Ų46.826%0.25624%0.238SC..THydrogen-bonded Turntrans-62.1-27.8-175.6-159.2169.1000113K120 Y123 A155K120-I279 HydrophobicContact CG-CG1 4.49Å; Y123-I279 HydrophobicContact CD1-CB 4.47Å; Y123-I279 HydrophobicContact CD1-CD1 3.91Å; Y123-I279 HydrophobicContact CD1-CG1 3.69Å; Y123-I279 HydrophobicContact CD1-CG2 4.15Å; Y123-I279 HydrophobicContact CD2-CD1 3.93Å; Y123-I279 HydrophobicContact CE1-CG1 4.38Å; Y123-I279 HydrophobicContact CE1-CG2 3.97Å; Y123-I279 HydrophobicContact CG-CD1 3.56Å; Y123-I279 HydrophobicContact CG-CG1 3.82Å; A155-I279 HydrophobicContact CB-CD1 3.45Å; A155-I279 VanDerWaalsContact CB-CD1 3.45Å
280D84.8Confident86.4Confident88 Ų8848.2 Ų48.247%0.47124%0.244SC..THydrogen-bonded Turntrans-83.2-12177.1-64.4-63.2000113.6Y123 R127 H278 F282Y123-D280 WeakPolarHBondContact CE1-OD1 3.18Å; R127-D280 IonicContact NH1-OD1 3.91Å; R127-D280 PolarHBondContact NH1-OD1 3.11Å; H278-D280 PolarHBondContact O-N 2.93Å; D280-F282 PolarHBondContact O-N 3.18Å
281D87.5Confident86Confident36 Ų3647.9 Ų47.919%0.19324%0.242CC..  trans-80.659.3178.8-58.6-33.9000110.7K120 T275 G276 E277 H278K120-D281 PolarHBondContact NZ-O 3.24Å; T275-D281 PolarHBondContact N-O 2.93Å; G276-D281 WeakPolarHBondContact CA-OD2 3.46Å; E277-D281 PolarHBondContact N-OD2 3.37Å; H278-D281 VanDerWaalsContact CB-OD2 3.27Å; H278-D281 WeakPolarHBondContact CB-OD2 3.46Å; H278-D281 IonicContact CD2-OD2 3.69Å; H278-D281 PolarHBondContact CD2-OD2 2.94Å; H278-D281 IonicContact CG-OD2 2.74Å; H278-D281 PolarHBondContact N-OD2 3.44Å; H278-D281 WeakPolarHBondContact O-CB 3.47Å; H278-D281 PolarHBondContact O-N 3.09Å
282F90.1Very high85.3Confident14 Ų1447.9 Ų47.96%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-148.5111.1-176.5-165.6-117.4000110.6T117 K120 L121 I246 F272 D280T117-F282 HydrophobicContact CG2-CE2 3.82Å; T117-F282 HydrophobicContact CG2-CZ 4.18Å; K120-F282 HydrophobicContact CB-CB 3.9Å; K120-F282 HydrophobicContact CB-CD1 3.97Å; K120-F282 HydrophobicContact CB-CD2 4Å; K120-F282 HydrophobicContact CB-CE1 4.5Å; K120-F282 HydrophobicContact CB-CG 3.69Å; K120-F282 HydrophobicContact CD-CB 4.09Å; K120-F282 HydrophobicContact CD-CD2 4.16Å; K120-F282 HydrophobicContact CD-CG 4.33Å; K120-F282 HydrophobicContact CG-CB 4.27Å; K120-F282 HydrophobicContact CG-CG 4.48Å; L121-F282 HydrophobicContact CB-CE1 4.04Å; L121-F282 HydrophobicContact CB-CZ 4.25Å; L121-F282 HydrophobicContact CD1-CE1 3.68Å; L121-F282 HydrophobicContact CD1-CZ 4.01Å; I246-F282 HydrophobicContact CD1-CZ 4.09Å; I246-F282 HydrophobicContact CG2-CE2 4.05Å; F272-F282 HydrophobicContact CB-CD2 4.42Å; F272-F282 HydrophobicContact CB-CE1 3.92Å; F272-F282 HydrophobicContact CB-CE2 3.54Å; F272-F282 HydrophobicContact CB-CZ 3.25Å; F272-F282 AromaticContact CD1-CD1 3.81Å; F272-F282 HydrophobicContact CD1-CD1 3.81Å; F272-F282 AromaticContact CD1-CE1 3.26Å; F272-F282 HydrophobicContact CD1-CE1 3.26Å; F272-F282 HydrophobicContact CD1-CE2 4.34Å; F272-F282 AromaticContact CD1-CZ 3.59Å; F272-F282 HydrophobicContact CD1-CZ 3.59Å; F272-F282 HydrophobicContact CD2-CE1 4.22Å; F272-F282 HydrophobicContact CD2-CZ 4.05Å; F272-F282 HydrophobicContact CE1-CD1 4.26Å; F272-F282 AromaticContact CE1-CE1 3.74Å; F272-F282 HydrophobicContact CE1-CE1 3.74Å; F272-F282 HydrophobicContact CE1-CZ 4.42Å; F272-F282 HydrophobicContact CG-CD1 4.45Å; F272-F282 AromaticContact CG-CE1 3.55Å; F272-F282 HydrophobicContact CG-CE1 3.55Å; F272-F282 HydrophobicContact CG-CE2 4.14Å; F272-F282 AromaticContact CG-CZ 3.37Å; F272-F282 HydrophobicContact CG-CZ 3.37Å; F272-F282 HydrophobicContact CZ-CE1 4.41Å; D280-F282 PolarHBondContact O-N 3.18Å
283E87Confident84.3Confident41 Ų4152.1 Ų52.119%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-121.5142.2-172.6-61.9-176153.500110.8F272 I273 F285 K306F272-E283 WeakPolarHBondContact CA-O 3.1Å; I273-E283 HydrophobicContact CG1-CB 4.22Å; I273-E283 PolarHBondContact N-O 3.04Å; I273-E283 PolarHBondContact O-N 2.94Å; E283-F285 PolarHBondContact O-N 3.06Å; E283-K306 IonicContact OE1-NZ 3.9Å; E283-K306 PolarHBondContact OE1-NZ 2.66Å
284P89.6Confident83.4Confident61 Ų6152.4 Ų52.440%0.39626%0.264SS..EExtended strand (participates in β ladder)trans-58.9135.8169.8-22.234.1000110.8Y124 F272Y124-P284 HydrophobicContact CE2-CG 3.87Å; Y124-P284 WeakPolarHBondContact OH-CG 3.32Å; F272-P284 HydrophobicContact CD1-CB 4.43Å; F272-P284 HydrophobicContact CD1-CG 4.39Å; F272-P284 HydrophobicContact CE1-CB 4.23Å; F272-P284 HydrophobicContact CE1-CG 3.93Å
285F87.2Confident82.5Confident22 Ų2252.5 Ų52.510%0.09626%0.264CS..  trans-86.3125178.6-174.4-98.3000110.7V87 I270 I271 I273 E283 F290V87-F285 HydrophobicContact CG1-CE1 4.06Å; V87-F285 HydrophobicContact CG1-CZ 3.77Å; I270-F285 HydrophobicContact CB-CB 4.36Å; I270-F285 HydrophobicContact CB-CD1 3.56Å; I270-F285 HydrophobicContact CB-CE1 3.92Å; I270-F285 HydrophobicContact CB-CG 3.93Å; I270-F285 HydrophobicContact CD1-CE1 4.2Å; I270-F285 HydrophobicContact CD1-CZ 4.17Å; I270-F285 HydrophobicContact CG2-CB 3.71Å; I270-F285 HydrophobicContact CG2-CD1 3.76Å; I270-F285 HydrophobicContact CG2-CD2 4.02Å; I270-F285 HydrophobicContact CG2-CE1 4.36Å; I270-F285 HydrophobicContact CG2-CG 3.54Å; I270-F285 WeakPolarHBondContact O-CD1 3.5Å; I271-F285 PolarHBondContact O-N 3.25Å; I273-F285 HydrophobicContact CD1-CD2 4.44Å; I273-F285 HydrophobicContact CG2-CB 4.25Å; I273-F285 HydrophobicContact CG2-CD2 3.45Å; I273-F285 VanDerWaalsContact CG2-CD2 3.45Å; I273-F285 HydrophobicContact CG2-CE2 4.18Å; I273-F285 HydrophobicContact CG2-CG 4.21Å; E283-F285 PolarHBondContact O-N 3.06Å; F285-F290 HydrophobicContact CD2-CB 4.37Å; F285-F290 HydrophobicContact CD2-CD2 4.31Å; F285-F290 HydrophobicContact CD2-CG 4.33Å; F285-F290 HydrophobicContact CE2-CB 3.62Å; F285-F290 AromaticContact CE2-CD1 3.74Å; F285-F290 HydrophobicContact CE2-CD1 3.74Å; F285-F290 AromaticContact CE2-CD2 3.65Å; F285-F290 HydrophobicContact CE2-CD2 3.65Å; F285-F290 HydrophobicContact CE2-CE1 4.29Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.38Å; F285-F290 HydrophobicContact CE2-CG 3.38Å; F285-F290 HydrophobicContact CZ-CB 3.93Å; F285-F290 AromaticContact CZ-CD1 3.93Å; F285-F290 HydrophobicContact CZ-CD1 3.93Å; F285-F290 AromaticContact CZ-CG 3.9Å; F285-F290 HydrophobicContact CZ-CG 3.9Å
286K83.5Confident81.6Confident90 Ų9053 Ų5339%0.39128%0.275SS..  trans-122.3122168.3-64.5-179179.4177.10108.3Q288 P289 F290 D305K286-Q288 PolarHBondContact O-N 2.92Å; K286-P289 HydrophobicContact CB-CB 4.12Å; K286-P289 HydrophobicContact CB-CG 3.62Å; K286-P289 HydrophobicContact CD-CG 4.08Å; K286-F290 WeakPolarHBondContact O-CB 3.42Å; K286-F290 PolarHBondContact O-N 2.96Å; K286-D305 IonicContact NZ-OD2 3.33Å; K286-D305 PolarHBondContact NZ-OD2 3.29Å
287T83.8Confident80.6Confident26 Ų2655.9 Ų55.916%0.1629%0.286CS..Hα-helixtrans-60.1-49.6-171.7-50.50000113.1V84 V87 D88 F290 I291V84-T287 HydrophobicContact CB-CG2 4.45Å; V84-T287 HydrophobicContact CG1-CG2 3.96Å; V87-T287 HydrophobicContact CB-CG2 3.73Å; V87-T287 HydrophobicContact CG1-CG2 4.29Å; V87-T287 HydrophobicContact CG2-CG2 4.33Å; D88-T287 HydrophobicContact CB-CG2 4.18Å; T287-F290 PolarHBondContact O-N 3.4Å; T287-I291 HydrophobicContact CG2-CG1 4.48Å; T287-I291 WeakPolarHBondContact O-CG1 3.37Å; T287-I291 PolarHBondContact O-N 3.01Å
288Q83.2Confident79.4Confident115 Ų11548.1 Ų48.154%0.53725%0.251SS..Hα-helixtrans-63.7-52-177.9-73.5-177.611.300112.4F80 V84 K286 F290 I291 S292F80-Q288 HydrophobicContact CE1-CG 4.48Å; F80-Q288 HydrophobicContact CZ-CB 4.3Å; F80-Q288 HydrophobicContact CZ-CG 4.38Å; V84-Q288 HydrophobicContact CG1-CG 4.35Å; V84-Q288 HydrophobicContact CG2-CG 4.26Å; K286-Q288 PolarHBondContact O-N 2.92Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 3.2Å; Q288-I291 PolarHBondContact O-N 3.34Å; Q288-S292 WeakPolarHBondContact O-CB 3.48Å; Q288-S292 PolarHBondContact O-N 3.31Å
289P79.7Confident78.6Confident14 Ų1442.5 Ų42.59%0.09123%0.226CC..Hα-helixtrans-51.4-44170.4-35.440.1000114.3K286 S292 K293K286-P289 HydrophobicContact CB-CB 4.12Å; K286-P289 HydrophobicContact CB-CG 3.62Å; K286-P289 HydrophobicContact CD-CG 4.08Å; P289-S292 PolarHBondContact O-N 2.92Å; P289-K293 VanDerWaalsContact O-CB 3.28Å; P289-K293 WeakPolarHBondContact O-CB 3.09Å; P289-K293 PolarHBondContact O-N 3.34Å
290F79.7Confident77.3Confident41 Ų4144.8 Ų44.818%0.1824%0.237CC..Hα-helixtrans-62.9-46.7-179.9-178.2-98.6000112.1L3 L250 I273 F285 K286 T287 Q288 K293 L294L3-F290 HydrophobicContact CD1-CE2 4.34Å; L3-F290 HydrophobicContact CD1-CZ 4.08Å; L3-F290 HydrophobicContact CD2-CZ 4.15Å; L250-F290 HydrophobicContact CD1-CE2 4.3Å; I273-F290 HydrophobicContact CD1-CD2 4.43Å; F285-F290 HydrophobicContact CD2-CB 4.37Å; F285-F290 HydrophobicContact CD2-CD2 4.31Å; F285-F290 HydrophobicContact CD2-CG 4.33Å; F285-F290 HydrophobicContact CE2-CB 3.62Å; F285-F290 AromaticContact CE2-CD1 3.74Å; F285-F290 HydrophobicContact CE2-CD1 3.74Å; F285-F290 AromaticContact CE2-CD2 3.65Å; F285-F290 HydrophobicContact CE2-CD2 3.65Å; F285-F290 HydrophobicContact CE2-CE1 4.29Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.38Å; F285-F290 HydrophobicContact CE2-CG 3.38Å; F285-F290 HydrophobicContact CZ-CB 3.93Å; F285-F290 AromaticContact CZ-CD1 3.93Å; F285-F290 HydrophobicContact CZ-CD1 3.93Å; F285-F290 AromaticContact CZ-CG 3.9Å; F285-F290 HydrophobicContact CZ-CG 3.9Å; K286-F290 WeakPolarHBondContact O-CB 3.42Å; K286-F290 PolarHBondContact O-N 2.96Å; T287-F290 PolarHBondContact O-N 3.4Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 3.2Å; F290-K293 PolarHBondContact O-N 2.91Å; F290-L294 WeakPolarHBondContact O-CB 3.42Å; F290-L294 PolarHBondContact O-N 3.06Å
291I80.4Confident76.3Confident4 Ų445.8 Ų45.82%0.02124%0.239CC..Hα-helixtrans-67.5-38.4176.3-61.4-57.6000111.1F80 L83 V84 V87 T287 Q288 K293 L294 L295F80-I291 HydrophobicContact CD2-CB 4.41Å; F80-I291 HydrophobicContact CD2-CG2 3.57Å; F80-I291 HydrophobicContact CE2-CB 3.93Å; F80-I291 HydrophobicContact CE2-CG2 3.59Å; L83-I291 HydrophobicContact CB-CD1 4.42Å; L83-I291 HydrophobicContact CB-CG2 3.95Å; L83-I291 HydrophobicContact CD1-CG2 4.35Å; V84-I291 HydrophobicContact CG2-CB 4.14Å; V84-I291 HydrophobicContact CG2-CG1 4.04Å; V84-I291 HydrophobicContact CG2-CG2 4.31Å; V87-I291 HydrophobicContact CG2-CD1 3.78Å; V87-I291 HydrophobicContact CG2-CG1 4.3Å; T287-I291 HydrophobicContact CG2-CG1 4.48Å; T287-I291 WeakPolarHBondContact O-CG1 3.37Å; T287-I291 PolarHBondContact O-N 3.01Å; Q288-I291 PolarHBondContact O-N 3.34Å; I291-K293 PolarHBondContact O-N 3.49Å; I291-L294 HydrophobicContact CD1-CD2 4.48Å; I291-L294 WeakPolarHBondContact O-CB 3.31Å; I291-L294 PolarHBondContact O-N 3.13Å; I291-L295 HydrophobicContact CG2-CD1 4.32Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.91Å
292S77.8Confident75.3Confident22 Ų2244.6 Ų44.615%0.15424%0.236CC..Hα-helixtrans-62.7-44177.6-169.50000111.7Q288 P289 L295 G296 M297 G298Q288-S292 WeakPolarHBondContact O-CB 3.48Å; Q288-S292 PolarHBondContact O-N 3.31Å; P289-S292 PolarHBondContact O-N 2.92Å; S292-L295 PolarHBondContact O-N 3.31Å; S292-G296 PolarHBondContact O-N 3.11Å; S292-G296 VanDerWaalsContact O-N 3.16Å; S292-M297 PolarHBondContact O-N 3.47Å; S292-M297 WeakPolarHBondContact OG-CB 3.35Å; S292-G298 VanDerWaalsContact CB-O 3.32Å; S292-G298 WeakPolarHBondContact CB-O 3.39Å; S292-G298 PolarHBondContact OG-O 2.68Å
293K70.8Confident74.1Confident97 Ų9745.9 Ų45.942%0.42224%0.243SC..Hα-helixtrans-62.8-40.8173.1-173.4173.1177.5174.10111.5P289 F290 I291 L295 G296P289-K293 VanDerWaalsContact O-CB 3.28Å; P289-K293 WeakPolarHBondContact O-CB 3.09Å; P289-K293 PolarHBondContact O-N 3.34Å; F290-K293 PolarHBondContact O-N 2.91Å; I291-K293 PolarHBondContact O-N 3.49Å; K293-L295 VanDerWaalsContact C-N 3.33Å; K293-L295 PolarHBondContact O-N 3.33Å; K293-G296 PolarHBondContact O-N 3.35Å
294L71.9Confident73.1Confident20 Ų2048 Ų4811%0.10526%0.255CS..Hα-helixtrans-59.7-42.7174.4-169.278.6000111.5L3 L6 G7 I10 F290 I291 G296L3-L294 HydrophobicContact CB-CD1 4.05Å; L3-L294 HydrophobicContact CD2-CD1 3.72Å; L3-L294 HydrophobicContact CG-CD1 4.49Å; L3-L294 VanDerWaalsContact O-CD1 3.31Å; L3-L294 WeakPolarHBondContact O-CD1 3.5Å; L6-L294 HydrophobicContact CD2-CD1 4.28Å; L6-L294 HydrophobicContact CD2-CD2 4.14Å; G7-L294 WeakPolarHBondContact CA-O 3.32Å; I10-L294 HydrophobicContact CD1-CD2 4.46Å; F290-L294 WeakPolarHBondContact O-CB 3.42Å; F290-L294 PolarHBondContact O-N 3.06Å; I291-L294 HydrophobicContact CD1-CD2 4.48Å; I291-L294 WeakPolarHBondContact O-CB 3.31Å; I291-L294 PolarHBondContact O-N 3.13Å; L294-G296 PolarHBondContact O-N 3.3Å
295L68.8Low72.2Confident5 Ų548.4 Ų48.43%0.02625%0.253CS..THydrogen-bonded Turntrans-78.8-2.7179.6-63.6-174.4000114.3I10 T11 L14 F80 L83 I291 S292 K293 M297I10-L295 HydrophobicContact CB-CD2 4.07Å; I10-L295 HydrophobicContact CD1-CD2 4.47Å; I10-L295 HydrophobicContact CG2-CD2 3.33Å; T11-L295 PolarHBondContact OG1-O 2.66Å; L14-L295 HydrophobicContact CD1-CD1 4.5Å; L14-L295 HydrophobicContact CD1-CD2 4.29Å; F80-L295 HydrophobicContact CB-CD1 4.31Å; F80-L295 HydrophobicContact CD2-CD1 3.71Å; L83-L295 HydrophobicContact CD1-CD2 4.12Å; I291-L295 HydrophobicContact CG2-CD1 4.32Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.91Å; S292-L295 PolarHBondContact O-N 3.31Å; K293-L295 VanDerWaalsContact C-N 3.33Å; K293-L295 PolarHBondContact O-N 3.33Å; L295-M297 HydrophobicContact CB-CG 4.18Å; L295-M297 HydrophobicContact CB-SD 4.49Å; L295-M297 HydrophobicContact CD1-CE 4.47Å; L295-M297 HydrophobicContact CD1-SD 4.37Å; L295-M297 PolarHBondContact O-N 3.38Å
296G65.7Low71.2Confident44 Ų4450.1 Ų50.145%0.45426%0.261SS..THydrogen-bonded Turntrans70.718.3-175.700000114S292 K293 L294 G298S292-G296 PolarHBondContact O-N 3.11Å; S292-G296 VanDerWaalsContact O-N 3.16Å; K293-G296 PolarHBondContact O-N 3.35Å; L294-G296 PolarHBondContact O-N 3.3Å; G296-G298 VanDerWaalsContact C-N 3.26Å
297M64Low70.3Confident76 Ų7648.9 Ų48.937%0.37426%0.261SS..SBendtrans-80.6-6.6177-70.5-176.8172.900112.8S292 L295 P353S292-M297 PolarHBondContact O-N 3.47Å; S292-M297 WeakPolarHBondContact OG-CB 3.35Å; L295-M297 HydrophobicContact CB-CG 4.18Å; L295-M297 HydrophobicContact CB-SD 4.49Å; L295-M297 HydrophobicContact CD1-CE 4.47Å; L295-M297 HydrophobicContact CD1-SD 4.37Å; L295-M297 PolarHBondContact O-N 3.38Å; M297-P353 VanDerWaalsContact O-CB 3.24Å; M297-P353 WeakPolarHBondContact O-CB 3.48Å; M297-P353 VanDerWaalsContact O-CG 3.28Å; M297-P353 WeakPolarHBondContact O-CG 3.35Å
298G60.3Low69.4Low4 Ų452.4 Ų52.44%0.04128%0.278CS..  trans83.3171-178.300000113S292 G296 M351S292-G298 VanDerWaalsContact CB-O 3.32Å; S292-G298 WeakPolarHBondContact CB-O 3.39Å; S292-G298 PolarHBondContact OG-O 2.68Å; G296-G298 VanDerWaalsContact C-N 3.26Å; G298-M351 CarbonylContact C-O 3.54Å; G298-M351 WeakPolarHBondContact CA-O 3.21Å
299D67.8Low68.5Low22 Ų2252.7 Ų52.712%0.11828%0.28CS..  trans-135.280.7178.6177.617.8000108.9E301 G302 L303 M351D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 PolarHBondContact O-N 2.73Å; D299-E301 PolarHBondContact OD1-N 2.89Å; D299-G302 PolarHBondContact OD1-N 3.28Å; D299-G302 WeakPolarHBondContact OD2-CA 3.35Å; D299-L303 PolarHBondContact O-N 3.44Å; D299-M351 CarbonylContact C-O 3.48Å; D299-M351 HydrophobicContact CB-CB 4.49Å; D299-M351 HydrophobicContact CB-CE 4.37Å; D299-M351 HydrophobicContact CB-CG 4.41Å; D299-M351 PolarHBondContact N-O 2.82Å
300I60Low67.6Low98 Ų9855.2 Ų55.250%0.50329%0.292SS..Hα-helixtrans-64.4-37.3179.7-64.9168.3000110.4L303 I304 P353I300-L303 WeakPolarHBondContact O-CB 3.45Å; I300-L303 PolarHBondContact O-N 3.25Å; I300-I304 HydrophobicContact CG2-CD1 3.79Å; I300-I304 HydrophobicContact CG2-CG1 4.36Å; I300-I304 VanDerWaalsContact O-CG1 3.31Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.07Å; I300-P353 HydrophobicContact CD1-CG 3.8Å; I300-P353 HydrophobicContact CG1-CG 3.83Å
301E64.3Low66.6Low110 Ų11059.6 Ų59.651%0.51431%0.311SS..Hα-helixtrans-64.8-48.5-178.8-69-174.6176.700111.6D299 L303 I304 D305D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 PolarHBondContact O-N 2.73Å; D299-E301 PolarHBondContact OD1-N 2.89Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 3.4Å; E301-I304 PolarHBondContact O-N 3.32Å; E301-D305 PolarHBondContact O-N 2.94Å
302G65.7Low65.3Low11 Ų1163.2 Ų63.211%0.11333%0.33CS..Hα-helixtrans-63.1-32.4176.300000112.9D299 D305 K306D299-G302 PolarHBondContact OD1-N 3.28Å; D299-G302 WeakPolarHBondContact OD2-CA 3.35Å; G302-D305 PolarHBondContact O-N 3.2Å; G302-K306 PolarHBondContact O-N 2.87Å
303L64.5Low64.1Low41 Ų4168.6 Ų68.622%0.21536%0.357CS..Hα-helixtrans-65.4-45.3175.1179.965000110.6D299 I300 E301 D305 K306 V307 I348 M351 I352D299-L303 PolarHBondContact O-N 3.44Å; I300-L303 WeakPolarHBondContact O-CB 3.45Å; I300-L303 PolarHBondContact O-N 3.25Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 3.4Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-K306 PolarHBondContact O-N 3.25Å; L303-V307 HydrophobicContact CD1-CG2 4.45Å; L303-V307 WeakPolarHBondContact O-CB 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.36Å; L303-V307 PolarHBondContact O-N 3.04Å; L303-I348 HydrophobicContact CD1-CG2 3.75Å; L303-M351 HydrophobicContact CB-CB 4.17Å; L303-M351 HydrophobicContact CB-SD 4.45Å; L303-M351 VanDerWaalsContact N-CE 3.28Å; L303-I352 HydrophobicContact CD2-CG1 4.18Å
304I66.5Low63.2Low86 Ų8669.4 Ų69.444%0.44137%0.366SS..Hα-helixtrans-61-44.6175.8-67.9166000110.1I300 E301 V307 N308I300-I304 HydrophobicContact CG2-CD1 3.79Å; I300-I304 HydrophobicContact CG2-CG1 4.36Å; I300-I304 VanDerWaalsContact O-CG1 3.31Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.07Å; E301-I304 PolarHBondContact O-N 3.32Å; I304-V307 PolarHBondContact O-N 2.85Å; I304-N308 WeakPolarHBondContact CG2-ND2 3.26Å; I304-N308 WeakPolarHBondContact O-CB 3.12Å; I304-N308 PolarHBondContact O-N 3.47Å; I304-N308 PolarHBondContact O-ND2 2.88Å
305D70.5Confident62.5Low68 Ų6870.9 Ų70.936%0.36437%0.374SS..Hα-helixtrans-60.9-46.3177.6-74.9-16.8000111.9K286 E301 G302 L303 V307 N308 E309K286-D305 IonicContact NZ-OD2 3.33Å; K286-D305 PolarHBondContact NZ-OD2 3.29Å; E301-D305 PolarHBondContact O-N 2.94Å; G302-D305 PolarHBondContact O-N 3.2Å; L303-D305 VanDerWaalsContact C-N 3.34Å; D305-V307 PolarHBondContact O-N 2.93Å; D305-N308 PolarHBondContact O-N 2.89Å; D305-E309 WeakPolarHBondContact O-CG 3.23Å; D305-E309 PolarHBondContact O-N 3.13Å
306K65.5Low62Low58 Ų5877.8 Ų77.825%0.25241%0.406SS..Hα-helixtrans-62.2-41.7176.1-80.4-170.7179.1-175.60112E283 G302 L303 N308 E309 L310 M351E283-K306 IonicContact OE1-NZ 3.9Å; E283-K306 PolarHBondContact OE1-NZ 2.66Å; G302-K306 PolarHBondContact O-N 2.87Å; L303-K306 PolarHBondContact O-N 3.25Å; K306-N308 VanDerWaalsContact C-N 3.34Å; K306-E309 PolarHBondContact O-N 3.34Å; K306-L310 WeakPolarHBondContact O-CD1 3.27Å; K306-L310 WeakPolarHBondContact O-CG 3.43Å; K306-L310 PolarHBondContact O-N 3.11Å; K306-L310 VanDerWaalsContact O-N 3.15Å; K306-M351 HydrophobicContact CD-CE 4.5Å; K306-M351 HydrophobicContact CD-SD 4.28Å
307V64.9Low61.8Low65 Ų6578.4 Ų78.439%0.39441%0.407SS..Hα-helixtrans-62.9-40.9176.4166.80000111.1L303 I304 D305 L310 L312L303-V307 HydrophobicContact CD1-CG2 4.45Å; L303-V307 WeakPolarHBondContact O-CB 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.36Å; L303-V307 PolarHBondContact O-N 3.04Å; I304-V307 PolarHBondContact O-N 2.85Å; D305-V307 PolarHBondContact O-N 2.93Å; V307-L310 PolarHBondContact O-N 2.94Å; V307-L312 HydrophobicContact CG1-CD1 4.13Å
308N65.3Low61.6Low99 Ų9976 Ų7653%0.52940%0.396SS..Hα-helixtrans-68.2-42.3176.9-70.4-24.3000112.2I304 D305 K306 L310 K311I304-N308 WeakPolarHBondContact CG2-ND2 3.26Å; I304-N308 WeakPolarHBondContact O-CB 3.12Å; I304-N308 PolarHBondContact O-N 3.47Å; I304-N308 PolarHBondContact O-ND2 2.88Å; D305-N308 PolarHBondContact O-N 2.89Å; K306-N308 VanDerWaalsContact C-N 3.34Å; N308-L310 PolarHBondContact O-N 3.4Å; N308-K311 PolarHBondContact O-N 3.33Å; N308-K311 VanDerWaalsContact O-N 3.08Å
309E64.9Low61.7Low122 Ų12279.1 Ų79.157%0.5741%0.411SS*.Hα-helixtrans-61.9-31176.8-79.4-171.1170.300112.6D305 K306 K311D305-E309 WeakPolarHBondContact O-CG 3.23Å; D305-E309 PolarHBondContact O-N 3.13Å; K306-E309 PolarHBondContact O-N 3.34Å; E309-K311 PolarHBondContact O-N 2.67Å
310L59.5Low61.6Low67 Ų6783.4 Ų83.435%0.35143%0.43SS..THydrogen-bonded Turntrans-71.9-8177.7-72.3164000113.4K306 V307 N308 L312 M342K306-L310 WeakPolarHBondContact O-CD1 3.27Å; K306-L310 WeakPolarHBondContact O-CG 3.43Å; K306-L310 PolarHBondContact O-N 3.11Å; K306-L310 VanDerWaalsContact O-N 3.15Å; V307-L310 PolarHBondContact O-N 2.94Å; N308-L310 PolarHBondContact O-N 3.4Å; L310-L312 HydrophobicContact CB-CD1 4.4Å; L310-L312 HydrophobicContact CB-CG 4Å; L310-L312 PolarHBondContact O-N 2.94Å; L310-L312 VanDerWaalsContact O-N 3.14Å; L310-M342 HydrophobicContact CD1-CG 3.62Å; L310-M342 HydrophobicContact CD1-SD 3.79Å; L310-M342 HydrophobicContact CD2-CG 4.25Å
311K59.6Low61.7Low132 Ų13282.3 Ų82.357%0.57442%0.422SS*.THydrogen-bonded Turntrans41.450.6-176.7-60.2-164.5-176.5-1770111.8N308 E309 D313 D314N308-K311 PolarHBondContact O-N 3.33Å; N308-K311 VanDerWaalsContact O-N 3.08Å; E309-K311 PolarHBondContact O-N 2.67Å; K311-D313 PolarHBondContact O-N 2.86Å; K311-D314 HydrophobicContact CB-CB 4.21Å; K311-D314 WeakPolarHBondContact CD-OD2 3.14Å; K311-D314 IonicContact NZ-OD2 2.64Å; K311-D314 PolarHBondContact NZ-OD2 2.77Å; K311-D314 PolarHBondContact O-N 3.18Å
312L52.8Low61.7Low80 Ų8079.4 Ų79.442%0.41941%0.409SS..G310 helixtrans-60.4-18-179.5-72.2164.2000112.2V307 L310V307-L312 HydrophobicContact CG1-CD1 4.13Å; L310-L312 HydrophobicContact CB-CD1 4.4Å; L310-L312 HydrophobicContact CB-CG 4Å; L310-L312 PolarHBondContact O-N 2.94Å; L310-L312 VanDerWaalsContact O-N 3.14Å
313D52.9Low61.6Low136 Ų13684 Ų8473%0.72743%0.426SS*.G310 helixtrans-72.9-20.8172.8-67.8-26000114.4K311 N315K311-D313 PolarHBondContact O-N 2.86Å; D313-N315 PolarHBondContact O-N 3.32Å
314D52.1Low61.7Low113 Ų11388.4 Ų88.460%0.60445%0.445SS*.G310 helixtrans-76.2-2.4-179-84.1-2.2000113K311 E316K311-D314 HydrophobicContact CB-CB 4.21Å; K311-D314 WeakPolarHBondContact CD-OD2 3.14Å; K311-D314 IonicContact NZ-OD2 2.64Å; K311-D314 PolarHBondContact NZ-OD2 2.77Å; K311-D314 PolarHBondContact O-N 3.18Å; D314-E316 PolarHBondContact O-N 2.8Å; D314-E316 VanDerWaalsContact O-N 3.11Å
315N56.6Low61.7Low52 Ų5285.7 Ų85.728%0.27844%0.439SS..  trans-87.353.9174.3-105.1-30.5000111.5D313 A317 L318 I319D313-N315 PolarHBondContact O-N 3.32Å; N315-A317 PolarHBondContact O-N 2.94Å; N315-A317 VanDerWaalsContact O-N 3.16Å; N315-L318 HydrophobicContact CB-CB 3.86Å; N315-L318 WeakPolarHBondContact O-CA 3.07Å; N315-L318 WeakPolarHBondContact O-CB 3.31Å; N315-L318 PolarHBondContact O-N 3.27Å; N315-I319 PolarHBondContact O-N 3.02Å
316E59.5Low61.7Low149 Ų14987.4 Ų87.470%0.69645%0.445SS*.Hα-helixtrans-50.8-39173.9-74.8-170152.800111.3D314 L318 I319 E320D314-E316 PolarHBondContact O-N 2.8Å; D314-E316 VanDerWaalsContact O-N 3.11Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.34Å; E316-I319 PolarHBondContact O-N 2.93Å; E316-E320 WeakPolarHBondContact O-CB 3.45Å; E316-E320 WeakPolarHBondContact O-CG 3.4Å; E316-E320 PolarHBondContact O-N 2.89Å
317A61.2Low62.4Low58 Ų5885 Ų8548%0.47944%0.435SS..Hα-helixtrans-61.2-39.3176.100000112.8N315 K321N315-A317 PolarHBondContact O-N 2.94Å; N315-A317 VanDerWaalsContact O-N 3.16Å; A317-K321 WeakPolarHBondContact O-CB 3.45Å; A317-K321 WeakPolarHBondContact O-CG 3.37Å; A317-K321 PolarHBondContact O-N 3.28Å
318L59.7Low63.4Low25 Ų2582.5 Ų82.513%0.13142%0.419CS..Hα-helixtrans-71-43.5175.8-160.7100.6000110.4N315 E316 E320 K321 L322 D331N315-L318 HydrophobicContact CB-CB 3.86Å; N315-L318 WeakPolarHBondContact O-CA 3.07Å; N315-L318 WeakPolarHBondContact O-CB 3.31Å; N315-L318 PolarHBondContact O-N 3.27Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.34Å; L318-E320 VanDerWaalsContact C-N 3.28Å; L318-E320 PolarHBondContact O-N 2.85Å; L318-K321 PolarHBondContact O-N 3.48Å; L318-L322 HydrophobicContact CD2-CD1 3.65Å; L318-L322 HydrophobicContact CD2-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 4.06Å; L318-L322 HydrophobicContact CG-CG 4.3Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.19Å; L318-L322 WeakPolarHBondContact O-CG 3.45Å; L318-L322 PolarHBondContact O-N 2.91Å; L318-D331 HydrophobicContact CD1-CB 4.45Å
319I62.5Low64.4Low69 Ų6977.8 Ų77.835%0.35439%0.394SS..Hα-helixtrans-60.5-41.2176.7-65.7174.9000109.9N315 E316 K323N315-I319 PolarHBondContact O-N 3.02Å; E316-I319 PolarHBondContact O-N 2.93Å; I319-K323 HydrophobicContact CG2-CD 3.94Å; I319-K323 VanDerWaalsContact CG2-CE 3.44Å; I319-K323 HydrophobicContact CG2-CG 4.37Å; I319-K323 WeakPolarHBondContact O-CB 3.42Å; I319-K323 WeakPolarHBondContact O-CD 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.49Å; I319-K323 PolarHBondContact O-N 3.29Å
320E64.5Low65.5Low113 Ų11375.3 Ų75.353%0.52838%0.379SS..Hα-helixtrans-65.4-47.9174.1-76.2-155.7144.600112.8E316 L318 L322 K323 H324E316-E320 WeakPolarHBondContact O-CB 3.45Å; E316-E320 WeakPolarHBondContact O-CG 3.4Å; E316-E320 PolarHBondContact O-N 2.89Å; L318-E320 VanDerWaalsContact C-N 3.28Å; L318-E320 PolarHBondContact O-N 2.85Å; E320-L322 PolarHBondContact O-N 3.4Å; E320-K323 CarbonylContact O-C 3.55Å; E320-K323 WeakPolarHBondContact O-CA 3.41Å; E320-K323 VanDerWaalsContact O-CB 3.27Å; E320-K323 WeakPolarHBondContact O-CB 3.46Å; E320-K323 PolarHBondContact O-N 2.64Å; E320-K323 VanDerWaalsContact O-N 3.11Å; E320-H324 PolarHBondContact O-CD2 2.9Å; E320-H324 PolarHBondContact O-N 3.08Å
321K63.6Low66.6Low75 Ų7572.2 Ų72.233%0.32636%0.363SS..Hα-helixtrans-60.8-43.7177-74.9173.7174.1-178.30112.2A317 L318 K323 H324 G325 Q326 D331A317-K321 WeakPolarHBondContact O-CB 3.45Å; A317-K321 WeakPolarHBondContact O-CG 3.37Å; A317-K321 PolarHBondContact O-N 3.28Å; L318-K321 PolarHBondContact O-N 3.48Å; K321-K323 PolarHBondContact O-N 3.28Å; K321-H324 CarbonylContact O-C 3.56Å; K321-H324 PolarHBondContact O-N 3.16Å; K321-H324 VanDerWaalsContact O-N 3.14Å; K321-G325 PolarHBondContact O-N 3.22Å; K321-Q326 CarbonylContact C-O 3.59Å; K321-Q326 PolarHBondContact O-N 2.82Å; K321-Q326 VanDerWaalsContact O-N 3.15Å; K321-D331 VanDerWaalsContact CD-OD1 3.26Å; K321-D331 WeakPolarHBondContact CD-OD1 3.49Å; K321-D331 IonicContact NZ-OD1 3.12Å; K321-D331 PolarHBondContact NZ-OD1 3.11Å
322L63.8Low67.9Low48 Ų4866.2 Ų66.225%0.25134%0.338SS..Hα-helixtrans-62.8-40.6172.7-68.5174.3000111.5L318 E320 H324 G325 F327 V431L318-L322 HydrophobicContact CD2-CD1 3.65Å; L318-L322 HydrophobicContact CD2-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 4.06Å; L318-L322 HydrophobicContact CG-CG 4.3Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.19Å; L318-L322 WeakPolarHBondContact O-CG 3.45Å; L318-L322 PolarHBondContact O-N 2.91Å; E320-L322 PolarHBondContact O-N 3.4Å; L322-H324 PolarHBondContact O-N 3.02Å; L322-G325 PolarHBondContact O-N 3.13Å; L322-F327 HydrophobicContact CD2-CD2 4.29Å; L322-V431 HydrophobicContact CD2-CB 4.32Å; L322-V431 HydrophobicContact CD2-CG1 3.36Å; L322-V431 HydrophobicContact CD2-CG2 3.98Å
323K63.7Low69.5Low107 Ų10764.6 Ų64.647%0.46533%0.326SS..Hα-helixtrans-61.8-26.5174.2-86.3168-178.4168.10112.8I319 E320 K321 K438I319-K323 HydrophobicContact CG2-CD 3.94Å; I319-K323 VanDerWaalsContact CG2-CE 3.44Å; I319-K323 HydrophobicContact CG2-CG 4.37Å; I319-K323 WeakPolarHBondContact O-CB 3.42Å; I319-K323 WeakPolarHBondContact O-CD 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.49Å; I319-K323 PolarHBondContact O-N 3.29Å; E320-K323 CarbonylContact O-C 3.55Å; E320-K323 WeakPolarHBondContact O-CA 3.41Å; E320-K323 VanDerWaalsContact O-CB 3.27Å; E320-K323 WeakPolarHBondContact O-CB 3.46Å; E320-K323 PolarHBondContact O-N 2.64Å; E320-K323 VanDerWaalsContact O-N 3.11Å; K321-K323 PolarHBondContact O-N 3.28Å; K323-K438 PolarHBondContact O-NZ 3.06Å; K323-K438 VanDerWaalsContact O-NZ 3.13Å
324H66.5Low70.9Confident134 Ų13461 Ų6162%0.6231%0.305SS*.THydrogen-bonded Turntrans-91.9-0.6174.5-70.6-63.7000113.3E320 K321 L322 Q326E320-H324 PolarHBondContact O-CD2 2.9Å; E320-H324 PolarHBondContact O-N 3.08Å; K321-H324 CarbonylContact O-C 3.56Å; K321-H324 PolarHBondContact O-N 3.16Å; K321-H324 VanDerWaalsContact O-N 3.14Å; L322-H324 PolarHBondContact O-N 3.02Å; H324-Q326 HydrophobicContact CB-CG 4.5Å; H324-Q326 PolarHBondContact O-N 3Å
325G66.6Low72.3Confident30 Ų3057.9 Ų57.931%0.30929%0.287SS..THydrogen-bonded Turntrans6621.1179.200000113.5K321 L322K321-G325 PolarHBondContact O-N 3.22Å; L322-G325 PolarHBondContact O-N 3.13Å
326Q70.8Confident73.5Confident103 Ų10356.7 Ų56.748%0.48128%0.279SS..  trans-104.1123.6176.9-62.8-177.112.600108.1K321 H324 T390K321-Q326 CarbonylContact C-O 3.59Å; K321-Q326 PolarHBondContact O-N 2.82Å; K321-Q326 VanDerWaalsContact O-N 3.15Å; H324-Q326 HydrophobicContact CB-CG 4.5Å; H324-Q326 PolarHBondContact O-N 3Å; Q326-T390 HydrophobicContact CB-CG2 4.36Å; Q326-T390 HydrophobicContact CG-CG2 4.14Å
327F78.7Confident74.6Confident9 Ų953 Ų534%0.03926%0.262CS..  trans-132.7114.1176.2-173.7-100.2000108L322 D331 M332 Y424 F427 A428 V431L322-F327 HydrophobicContact CD2-CD2 4.29Å; F327-D331 HydrophobicContact CD2-CB 3.95Å; F327-D331 HydrophobicContact CE2-CB 3.8Å; F327-D331 HydrophobicContact CZ-CB 4.4Å; F327-M332 HydrophobicContact CE1-CB 3.77Å; F327-M332 HydrophobicContact CE1-CG 4.26Å; F327-M332 HydrophobicContact CZ-CB 3.71Å; F327-M332 HydrophobicContact CZ-CG 4.22Å; F327-Y424 HydrophobicContact CD1-CD2 4.1Å; F327-Y424 AromaticContact CD1-CE2 3.75Å; F327-Y424 HydrophobicContact CD1-CE2 3.75Å; F327-Y424 HydrophobicContact CE1-CD2 4.08Å; F327-Y424 HydrophobicContact CE1-CE2 4.14Å; F327-Y424 WeakPolarHBondContact O-CE2 3.5Å; F327-Y424 PolarHBondContact O-OH 3.32Å; F327-F427 HydrophobicContact CD1-CD1 4.01Å; F327-F427 HydrophobicContact CE1-CB 4.49Å; F327-F427 AromaticContact CE1-CD1 3.4Å; F327-F427 HydrophobicContact CE1-CD1 3.4Å; F327-F427 HydrophobicContact CE1-CE1 4.05Å; F327-F427 HydrophobicContact CE1-CG 4.34Å; F327-F427 AromaticContact CE2-CD1 4Å; F327-F427 HydrophobicContact CE2-CD1 4Å; F327-F427 AromaticContact CE2-CE1 3.81Å; F327-F427 HydrophobicContact CE2-CE1 3.81Å; F327-F427 AromaticContact CZ-CD1 3.38Å; F327-F427 HydrophobicContact CZ-CD1 3.38Å; F327-F427 AromaticContact CZ-CE1 3.52Å; F327-F427 HydrophobicContact CZ-CE1 3.52Å; F327-A428 HydrophobicContact CD1-CB 4.3Å; F327-V431 HydrophobicContact CB-CB 4.29Å; F327-V431 HydrophobicContact CB-CG1 4Å; F327-V431 HydrophobicContact CB-CG2 4.48Å; F327-V431 HydrophobicContact CD2-CG2 4.15Å; F327-V431 HydrophobicContact CG-CG2 4.22Å
328T85.7Confident75.2Confident12 Ų1251.8 Ų51.87%0.07425%0.247CC..  trans-99168.2-176.366.20000110.8R330 D331 M332 L387T328-R330 PolarHBondContact O-N 3.29Å; T328-D331 WeakPolarHBondContact CB-OD2 2.94Å; T328-D331 PolarHBondContact N-OD2 3.12Å; T328-D331 PolarHBondContact O-N 3.31Å; T328-D331 PolarHBondContact OG1-N 3.48Å; T328-D331 PolarHBondContact OG1-OD2 3.27Å; T328-M332 PolarHBondContact O-N 3.44Å; T328-L387 WeakPolarHBondContact CB-O 3.03Å
329L86.9Confident75.9Confident0 Ų053.1 Ų53.10%025%0.254CS..Hα-helixtrans-67.1-30.2173.7-79.6165.3000110.9M332 Y333 M379 M382 L387 F396 L420 L421 Y424L329-M332 HydrophobicContact CD2-CE 3.8Å; L329-M332 WeakPolarHBondContact O-CB 3.39Å; L329-M332 PolarHBondContact O-N 2.91Å; L329-Y333 PolarHBondContact O-N 3Å; L329-M379 HydrophobicContact CD2-SD 4.49Å; L329-M382 HydrophobicContact CD1-CE 4.46Å; L329-M382 HydrophobicContact CD1-SD 3.81Å; L329-L387 HydrophobicContact CB-CD2 3.99Å; L329-L387 PolarHBondContact N-O 3.14Å; L329-F396 HydrophobicContact CD1-CE2 4.18Å; L329-L420 HydrophobicContact CD2-CD2 4.46Å; L329-L421 HydrophobicContact CD1-CD2 4.28Å; L329-Y424 HydrophobicContact CD2-CD1 4.16Å; L329-Y424 HydrophobicContact CD2-CD2 3.59Å; L329-Y424 HydrophobicContact CD2-CE2 4.24Å; L329-Y424 HydrophobicContact CD2-CG 3.54Å; L329-Y424 HydrophobicContact CG-CD1 4.35Å; L329-Y424 HydrophobicContact CG-CD2 3.94Å; L329-Y424 HydrophobicContact CG-CE1 4.46Å; L329-Y424 HydrophobicContact CG-CE2 4.07Å; L329-Y424 HydrophobicContact CG-CG 4.09Å
330R87.1Confident76.3Confident69 Ų6953 Ų5326%0.2625%0.253SS..Hα-helixtrans-62.8-42.9172.2-168.4175.3-57-89.42.2112.1T328 M332 Y333 E334 D384 L387 D388T328-R330 PolarHBondContact O-N 3.29Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 3.33Å; R330-Y333 WeakPolarHBondContact O-CB 3.38Å; R330-Y333 PolarHBondContact O-N 2.92Å; R330-Y333 VanDerWaalsContact O-N 3.12Å; R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.28Å; R330-D384 IonicContact CZ-OD1 2.82Å; R330-D384 IonicContact NH2-OD1 3.66Å; R330-D384 PolarHBondContact NH2-OD1 2.88Å; R330-L387 HydrophobicContact CB-CB 4.35Å; R330-L387 PolarHBondContact N-O 3.32Å; R330-L387 VanDerWaalsContact N-O 3.1Å; R330-D388 WeakPolarHBondContact CB-OD1 3.32Å; R330-D388 WeakPolarHBondContact CD-OD1 3.3Å; R330-D388 IonicContact CZ-OD1 2.69Å; R330-D388 IonicContact CZ-OD2 2.9Å; R330-D388 IonicContact NE-OD1 3.87Å; R330-D388 PolarHBondContact NE-OD1 3.34Å; R330-D388 IonicContact NE-OD2 3.85Å; R330-D388 PolarHBondContact NE-OD2 2.84Å; R330-D388 IonicContact NH2-OD1 3.4Å; R330-D388 IonicContact NH2-OD2 2.66Å; R330-D388 PolarHBondContact NH2-OD2 2.87Å
331D84.6Confident76.6Confident2 Ų254.4 Ų54.41%0.01126%0.257CS..Hα-helixtrans-61.9-40.1176.4-54.6-44.8000110.5L318 K321 F327 T328 Y333 E334 Q335L318-D331 HydrophobicContact CD1-CB 4.45Å; K321-D331 VanDerWaalsContact CD-OD1 3.26Å; K321-D331 WeakPolarHBondContact CD-OD1 3.49Å; K321-D331 IonicContact NZ-OD1 3.12Å; K321-D331 PolarHBondContact NZ-OD1 3.11Å; F327-D331 HydrophobicContact CD2-CB 3.95Å; F327-D331 HydrophobicContact CE2-CB 3.8Å; F327-D331 HydrophobicContact CZ-CB 4.4Å; T328-D331 WeakPolarHBondContact CB-OD2 2.94Å; T328-D331 PolarHBondContact N-OD2 3.12Å; T328-D331 PolarHBondContact O-N 3.31Å; T328-D331 PolarHBondContact OG1-N 3.48Å; T328-D331 PolarHBondContact OG1-OD2 3.27Å; D331-Y333 VanDerWaalsContact C-N 3.35Å; D331-Y333 PolarHBondContact O-N 3.09Å; D331-E334 PolarHBondContact O-N 2.93Å; D331-Q335 VanDerWaalsContact O-CG 3.31Å; D331-Q335 WeakPolarHBondContact O-CG 3.35Å; D331-Q335 PolarHBondContact O-N 3.4Å
332M85Confident76.5Confident7 Ų753.6 Ų53.63%0.03426%0.255CS..Hα-helixtrans-62.5-40.6174.1-165.5178.274.800112.5F327 T328 L329 R330 Q335 F336 M379 L420 Y424F327-M332 HydrophobicContact CE1-CB 3.77Å; F327-M332 HydrophobicContact CE1-CG 4.26Å; F327-M332 HydrophobicContact CZ-CB 3.71Å; F327-M332 HydrophobicContact CZ-CG 4.22Å; T328-M332 PolarHBondContact O-N 3.44Å; L329-M332 HydrophobicContact CD2-CE 3.8Å; L329-M332 WeakPolarHBondContact O-CB 3.39Å; L329-M332 PolarHBondContact O-N 2.91Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 3.33Å; M332-Q335 PolarHBondContact O-N 2.89Å; M332-F336 HydrophobicContact CE-CE2 3.88Å; M332-F336 HydrophobicContact CE-CZ 4.16Å; M332-F336 HydrophobicContact CG-CE1 4.08Å; M332-F336 HydrophobicContact CG-CE2 4.07Å; M332-F336 HydrophobicContact CG-CZ 3.78Å; M332-F336 WeakPolarHBondContact O-CG 3.47Å; M332-F336 PolarHBondContact O-N 2.66Å; M332-F336 HydrophobicContact SD-CE2 4.29Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; M332-M379 HydrophobicContact CE-CE 3.88Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.4Å; M332-L420 HydrophobicContact CE-CD1 3.63Å; M332-L420 HydrophobicContact CE-CG 4.1Å; M332-Y424 HydrophobicContact SD-CD2 4.33Å
333Y86.6Confident76.5Confident46 Ų4652.5 Ų52.518%0.1826%0.255CS..Hα-helixtrans-62-47.1175.9-176-88.8000111.8L329 R330 D331 Q335 F336 Q337 M376 M379 D380L329-Y333 PolarHBondContact O-N 3Å; R330-Y333 WeakPolarHBondContact O-CB 3.38Å; R330-Y333 PolarHBondContact O-N 2.92Å; R330-Y333 VanDerWaalsContact O-N 3.12Å; D331-Y333 VanDerWaalsContact C-N 3.35Å; D331-Y333 PolarHBondContact O-N 3.09Å; Y333-Q335 VanDerWaalsContact C-N 3.28Å; Y333-Q335 PolarHBondContact O-N 3.1Å; Y333-F336 PolarHBondContact O-N 2.94Å; Y333-F336 VanDerWaalsContact O-N 3.15Å; Y333-Q337 HydrophobicContact CD1-CG 4.08Å; Y333-Q337 HydrophobicContact CE1-CG 3.82Å; Y333-Q337 PolarHBondContact O-N 3.12Å; Y333-M376 HydrophobicContact CD2-CB 4.3Å; Y333-M376 HydrophobicContact CD2-CG 4.17Å; Y333-M376 HydrophobicContact CE1-CE 4.32Å; Y333-M376 HydrophobicContact CE2-CB 3.82Å; Y333-M376 HydrophobicContact CE2-CE 3.89Å; Y333-M376 HydrophobicContact CE2-CG 4.04Å; Y333-M379 HydrophobicContact CD2-CB 3.78Å; Y333-M379 HydrophobicContact CD2-CE 3.82Å; Y333-M379 HydrophobicContact CD2-SD 4.2Å; Y333-M379 HydrophobicContact CE2-CB 4.38Å; Y333-M379 HydrophobicContact CG-CE 4.41Å; Y333-D380 WeakPolarHBondContact CE2-OD1 3.36Å; Y333-D380 PolarHBondContact OH-OD1 2.69Å
334E83.7Confident76.5Confident61 Ų6149.8 Ų49.829%0.28525%0.249SC..Hα-helixtrans-59.3-40.6174.9-71.3174.3-17000111.2R330 D331 Q337 N338R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.28Å; D331-E334 PolarHBondContact O-N 2.93Å; E334-Q337 WeakPolarHBondContact O-CB 3.33Å; E334-Q337 PolarHBondContact O-N 3.49Å; E334-N338 PolarHBondContact O-N 3.23Å; E334-N338 PolarHBondContact O-ND2 2.91Å
335Q80.5Confident76.4Confident46 Ų4649.2 Ų49.222%0.21525%0.245CC..Hα-helixtrans-64.2-41.5174.7-67.4-41.8-70.700112.4D331 M332 Y333 Q337 N338 I339D331-Q335 VanDerWaalsContact O-CG 3.31Å; D331-Q335 WeakPolarHBondContact O-CG 3.35Å; D331-Q335 PolarHBondContact O-N 3.4Å; M332-Q335 PolarHBondContact O-N 2.89Å; Y333-Q335 VanDerWaalsContact C-N 3.28Å; Y333-Q335 PolarHBondContact O-N 3.1Å; Q335-Q337 VanDerWaalsContact C-N 3.35Å; Q335-N338 PolarHBondContact O-N 3.26Å; Q335-I339 VanDerWaalsContact O-CG1 3.26Å; Q335-I339 WeakPolarHBondContact O-CG1 3.21Å; Q335-I339 PolarHBondContact O-N 3.44Å
336F82.8Confident76.1Confident28 Ų2849.1 Ų49.112%0.12324%0.239CC..Hα-helixtrans-64.9-39.2175.1-69.2-9.5000112.1M332 Y333 N338 I339 M340 L372 L375 M376 M379M332-F336 HydrophobicContact CE-CE2 3.88Å; M332-F336 HydrophobicContact CE-CZ 4.16Å; M332-F336 HydrophobicContact CG-CE1 4.08Å; M332-F336 HydrophobicContact CG-CE2 4.07Å; M332-F336 HydrophobicContact CG-CZ 3.78Å; M332-F336 WeakPolarHBondContact O-CG 3.47Å; M332-F336 PolarHBondContact O-N 2.66Å; M332-F336 HydrophobicContact SD-CE2 4.29Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; Y333-F336 PolarHBondContact O-N 2.94Å; Y333-F336 VanDerWaalsContact O-N 3.15Å; F336-N338 VanDerWaalsContact C-N 3.34Å; F336-N338 PolarHBondContact O-N 2.87Å; F336-I339 HydrophobicContact CD1-CD1 4.36Å; F336-I339 PolarHBondContact O-N 3.15Å; F336-M340 WeakPolarHBondContact O-CG 3.49Å; F336-M340 PolarHBondContact O-N 3.39Å; F336-L372 HydrophobicContact CD1-CD2 3.98Å; F336-L372 HydrophobicContact CD2-CD2 4.37Å; F336-L372 HydrophobicContact CE1-CD2 4.09Å; F336-L372 HydrophobicContact CE2-CD2 4.49Å; F336-L372 HydrophobicContact CG-CD2 4.14Å; F336-L372 HydrophobicContact CZ-CD2 4.36Å; F336-L375 HydrophobicContact CD2-CB 4.37Å; F336-L375 HydrophobicContact CE2-CB 3.95Å; F336-L375 HydrophobicContact CE2-CD1 3.86Å; F336-L375 HydrophobicContact CZ-CD1 4.15Å; F336-M376 HydrophobicContact CB-CG 4.02Å; F336-M376 HydrophobicContact CB-SD 4.02Å; F336-M376 HydrophobicContact CD2-CG 4.25Å; F336-M379 HydrophobicContact CD2-CE 3.41Å; F336-M379 VanDerWaalsContact CD2-CE 3.41Å; F336-M379 HydrophobicContact CE2-CE 3.68Å
337Q80.9Confident75.7Confident70 Ų7047.1 Ų47.133%0.32723%0.23SC..Hα-helixtrans-60.5-44172.6-75.6-169.2-27.900111.8Y333 E334 Q335 M340 K341 M376Y333-Q337 HydrophobicContact CD1-CG 4.08Å; Y333-Q337 HydrophobicContact CE1-CG 3.82Å; Y333-Q337 PolarHBondContact O-N 3.12Å; E334-Q337 WeakPolarHBondContact O-CB 3.33Å; E334-Q337 PolarHBondContact O-N 3.49Å; Q335-Q337 VanDerWaalsContact C-N 3.35Å; Q337-M340 PolarHBondContact O-N 3.37Å; Q337-K341 WeakPolarHBondContact O-CG 3.28Å; Q337-K341 PolarHBondContact O-N 2.97Å; Q337-M376 HydrophobicContact CG-CE 3.43Å; Q337-M376 VanDerWaalsContact CG-CE 3.43Å; Q337-M376 HydrophobicContact CG-SD 4.49Å
338N75.8Confident75.1Confident34 Ų3448.1 Ų48.118%0.18224%0.235CC..Hα-helixtrans-64.4-42.4177.6-67.2-23.5000111.1E334 Q335 F336 M340 K341 M342E334-N338 PolarHBondContact O-N 3.23Å; E334-N338 PolarHBondContact O-ND2 2.91Å; Q335-N338 PolarHBondContact O-N 3.26Å; F336-N338 VanDerWaalsContact C-N 3.34Å; F336-N338 PolarHBondContact O-N 2.87Å; N338-M340 VanDerWaalsContact C-N 3.34Å; N338-M340 PolarHBondContact O-N 3.15Å; N338-K341 WeakPolarHBondContact O-CB 3.41Å; N338-K341 PolarHBondContact O-N 3.43Å; N338-K341 VanDerWaalsContact O-N 3.12Å; N338-M342 WeakPolarHBondContact O-CG 3.35Å; N338-M342 PolarHBondContact O-N 2.87Å; N338-M342 VanDerWaalsContact O-N 3.11Å
339I73.5Confident74.1Confident53 Ų5349.4 Ų49.427%0.27224%0.241SC..Hα-helixtrans-60.9-42.3174.5-67.7164000111.4Q335 F336 K341 M342 L372Q335-I339 VanDerWaalsContact O-CG1 3.26Å; Q335-I339 WeakPolarHBondContact O-CG1 3.21Å; Q335-I339 PolarHBondContact O-N 3.44Å; F336-I339 HydrophobicContact CD1-CD1 4.36Å; F336-I339 PolarHBondContact O-N 3.15Å; I339-K341 VanDerWaalsContact C-N 3.27Å; I339-K341 PolarHBondContact O-N 3.47Å; I339-M342 HydrophobicContact CB-CE 4.02Å; I339-M342 HydrophobicContact CG1-CE 3.57Å; I339-M342 HydrophobicContact CG2-CE 4.35Å; I339-M342 WeakPolarHBondContact O-CB 3.48Å; I339-M342 PolarHBondContact O-N 3.3Å; I339-M342 VanDerWaalsContact O-N 3.11Å; I339-L372 HydrophobicContact CG2-CD1 4.05Å
340M71.5Confident73Confident65 Ų6551 Ų5132%0.3226%0.258SS..Hα-helixtrans-64.3-32175.9-73.9-169.17100112.7F336 Q337 N338 M342 M376F336-M340 WeakPolarHBondContact O-CG 3.49Å; F336-M340 PolarHBondContact O-N 3.39Å; Q337-M340 PolarHBondContact O-N 3.37Å; N338-M340 VanDerWaalsContact C-N 3.34Å; N338-M340 PolarHBondContact O-N 3.15Å; M340-M342 VanDerWaalsContact C-N 3.33Å; M340-M376 HydrophobicContact CG-SD 4.42Å; M340-M376 HydrophobicContact SD-CE 4.33Å; M340-M376 HydrophobicContact SD-SD 3.38Å
341K69.4Low71.8Confident144 Ų14448.2 Ų48.263%0.62625%0.248SC*.Hα-helixtrans-71.7-23.5173.8-69.4170.3-173.6170.70113.2Q337 N338 I339 G343Q337-K341 WeakPolarHBondContact O-CG 3.28Å; Q337-K341 PolarHBondContact O-N 2.97Å; N338-K341 WeakPolarHBondContact O-CB 3.41Å; N338-K341 PolarHBondContact O-N 3.43Å; N338-K341 VanDerWaalsContact O-N 3.12Å; I339-K341 VanDerWaalsContact C-N 3.27Å; I339-K341 PolarHBondContact O-N 3.47Å; K341-G343 PolarHBondContact O-N 3.22Å
342M62.4Low70.8Confident58 Ų5851 Ų5129%0.28626%0.263SS..THydrogen-bonded Turntrans-71.1-7.9178.1-61.9-163.6-85.200113.4L310 N338 I339 M340 I348L310-M342 HydrophobicContact CD1-CG 3.62Å; L310-M342 HydrophobicContact CD1-SD 3.79Å; L310-M342 HydrophobicContact CD2-CG 4.25Å; N338-M342 WeakPolarHBondContact O-CG 3.35Å; N338-M342 PolarHBondContact O-N 2.87Å; N338-M342 VanDerWaalsContact O-N 3.11Å; I339-M342 HydrophobicContact CB-CE 4.02Å; I339-M342 HydrophobicContact CG1-CE 3.57Å; I339-M342 HydrophobicContact CG2-CE 4.35Å; I339-M342 WeakPolarHBondContact O-CB 3.48Å; I339-M342 PolarHBondContact O-N 3.3Å; I339-M342 VanDerWaalsContact O-N 3.11Å; M340-M342 VanDerWaalsContact C-N 3.33Å; M342-I348 HydrophobicContact CB-CD1 3.87Å; M342-I348 HydrophobicContact SD-CD1 4.23Å
343G63.4Low69.5Low24 Ų2453.4 Ų53.425%0.24728%0.279CS..  trans82.5-171-176.600000112.7K341 F345K341-G343 PolarHBondContact O-N 3.22Å; G343-F345 PolarHBondContact O-N 3.41Å
344P64Low68.3Low51 Ų5154.9 Ų54.933%0.33131%0.308SS..  trans-60.8127-176.6-21.832.9000111.4S346 Q347P344-S346 WeakPolarHBondContact CB-OG 2.97Å; P344-S346 PolarHBondContact O-N 3.24Å; P344-Q347 HydrophobicContact CB-CG 4.34Å; P344-Q347 WeakPolarHBondContact O-CB 3.41Å; P344-Q347 PolarHBondContact O-N 3Å
345F63.4Low67.2Low122 Ų12257.7 Ų57.754%0.53532%0.319SS..Hα-helixtrans-53.9-26-179.8-156.7-103.2000112.8G343 Q347 I348 L349G343-F345 PolarHBondContact O-N 3.41Å; F345-Q347 PolarHBondContact O-N 3.48Å; F345-I348 PolarHBondContact O-N 3.2Å; F345-L349 HydrophobicContact CD1-CD1 3.5Å; F345-L349 HydrophobicContact CD1-CD2 4.34Å; F345-L349 HydrophobicContact CD1-CG 3.65Å; F345-L349 HydrophobicContact CE1-CD1 3.65Å; F345-L349 HydrophobicContact CE1-CD2 3.82Å; F345-L349 HydrophobicContact CE1-CG 3.66Å; F345-L349 WeakPolarHBondContact O-CG 3.46Å; F345-L349 PolarHBondContact O-N 3.23Å
346S61.2Low65.9Low27 Ų2757 Ų5719%0.18932%0.324CS..Hα-helixtrans-62.6-36174.154.50000114.7P344 I348 G350 E365P344-S346 WeakPolarHBondContact CB-OG 2.97Å; P344-S346 PolarHBondContact O-N 3.24Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-G350 PolarHBondContact O-N 3.1Å; S346-E365 WeakPolarHBondContact CB-OE1 3.33Å; S346-E365 WeakPolarHBondContact CB-OE2 3.41Å; S346-E365 VanDerWaalsContact OG-CD 3.25Å; S346-E365 PolarHBondContact OG-OE2 3.03Å
347Q63.4Low64.5Low61 Ų6159.8 Ų59.829%0.28534%0.344SS..Hα-helixtrans-65.8-40.9175.8-65.4-175-0.700110.1P344 F345 M351P344-Q347 HydrophobicContact CB-CG 4.34Å; P344-Q347 WeakPolarHBondContact O-CB 3.41Å; P344-Q347 PolarHBondContact O-N 3Å; F345-Q347 PolarHBondContact O-N 3.48Å; Q347-M351 VanDerWaalsContact O-CG 3.26Å; Q347-M351 WeakPolarHBondContact O-CG 3.26Å; Q347-M351 PolarHBondContact O-N 2.68Å
348I65.2Low63.2Low31 Ų3161.6 Ų61.616%0.15936%0.355CS..Hα-helixtrans-69-49.3178.4-55.9176.9000110.8L303 M342 F345 S346 G350 M351L303-I348 HydrophobicContact CD1-CG2 3.75Å; M342-I348 HydrophobicContact CB-CD1 3.87Å; M342-I348 HydrophobicContact SD-CD1 4.23Å; F345-I348 PolarHBondContact O-N 3.2Å; S346-I348 VanDerWaalsContact C-N 3.32Å; I348-G350 VanDerWaalsContact C-N 3.28Å; I348-G350 PolarHBondContact O-N 3.33Å; I348-M351 WeakPolarHBondContact O-CB 3.32Å; I348-M351 PolarHBondContact O-N 3.38Å
349L64.3Low61.9Low38 Ų3869 Ų6920%0.19939%0.387CS..Hα-helixtrans-61.4-37.7178.5-73.4-179.2000112F345 M351 I352 M360F345-L349 HydrophobicContact CD1-CD1 3.5Å; F345-L349 HydrophobicContact CD1-CD2 4.34Å; F345-L349 HydrophobicContact CD1-CG 3.65Å; F345-L349 HydrophobicContact CE1-CD1 3.65Å; F345-L349 HydrophobicContact CE1-CD2 3.82Å; F345-L349 HydrophobicContact CE1-CG 3.66Å; F345-L349 WeakPolarHBondContact O-CG 3.46Å; F345-L349 PolarHBondContact O-N 3.23Å; L349-M351 PolarHBondContact O-N 2.75Å; L349-I352 HydrophobicContact CD2-CD1 4.3Å; L349-I352 PolarHBondContact O-N 3.3Å; L349-M360 HydrophobicContact CD1-SD 4.28Å
350G63.1Low60.6Low35 Ų3569.1 Ų69.136%0.36139%0.386SS..THydrogen-bonded Turntrans-65.3-14.3175.600000114.3S346 I348S346-G350 PolarHBondContact O-N 3.1Å; I348-G350 VanDerWaalsContact C-N 3.28Å; I348-G350 PolarHBondContact O-N 3.33Å
351M62.5Low59.4Low9 Ų969.6 Ų69.64%0.04440%0.396CS..THydrogen-bonded Turntrans-86.4-16.3172.8-64171.6102.700112.4G298 D299 L303 K306 Q347 I348 L349 P353G298-M351 CarbonylContact C-O 3.54Å; G298-M351 WeakPolarHBondContact CA-O 3.21Å; D299-M351 CarbonylContact C-O 3.48Å; D299-M351 HydrophobicContact CB-CB 4.49Å; D299-M351 HydrophobicContact CB-CE 4.37Å; D299-M351 HydrophobicContact CB-CG 4.41Å; D299-M351 PolarHBondContact N-O 2.82Å; L303-M351 HydrophobicContact CB-CB 4.17Å; L303-M351 HydrophobicContact CB-SD 4.45Å; L303-M351 VanDerWaalsContact N-CE 3.28Å; K306-M351 HydrophobicContact CD-CE 4.5Å; K306-M351 HydrophobicContact CD-SD 4.28Å; Q347-M351 VanDerWaalsContact O-CG 3.26Å; Q347-M351 WeakPolarHBondContact O-CG 3.26Å; Q347-M351 PolarHBondContact O-N 2.68Å; I348-M351 WeakPolarHBondContact O-CB 3.32Å; I348-M351 PolarHBondContact O-N 3.38Å; L349-M351 PolarHBondContact O-N 2.75Å; M351-P353 WeakPolarHBondContact O-CD 3.3Å
352I64.2Low58.5Low62 Ų6271.3 Ų71.332%0.31840%0.403SS..SBendtrans-85.4121-179.8-58.6178.2000109.9L303 L349 G354 F355L303-I352 HydrophobicContact CD2-CG1 4.18Å; L349-I352 HydrophobicContact CD2-CD1 4.3Å; L349-I352 PolarHBondContact O-N 3.3Å; I352-G354 PolarHBondContact O-N 3.4Å; I352-F355 HydrophobicContact CB-CB 4.25Å; I352-F355 HydrophobicContact CG2-CB 4.35Å; I352-F355 HydrophobicContact CG2-CD2 3.78Å; I352-F355 HydrophobicContact CG2-CG 4.4Å; I352-F355 PolarHBondContact O-N 2.81Å
353P57.1Low58Low57 Ų5771 Ų7137%0.3742%0.415SS..THydrogen-bonded Turntrans-56135.3176.1-22.931.8000112.2M297 I300 M351 F355M297-P353 VanDerWaalsContact O-CB 3.24Å; M297-P353 WeakPolarHBondContact O-CB 3.48Å; M297-P353 VanDerWaalsContact O-CG 3.28Å; M297-P353 WeakPolarHBondContact O-CG 3.35Å; I300-P353 HydrophobicContact CD1-CG 3.8Å; I300-P353 HydrophobicContact CG1-CG 3.83Å; M351-P353 WeakPolarHBondContact O-CD 3.3Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.24Å
354G61.9Low57.9Low76 Ų7674 Ų7478%0.78443%0.426SS*.THydrogen-bonded Turntrans82.9-17.1177.300000115.5I352 G356I352-G354 PolarHBondContact O-N 3.4Å; G354-G356 PolarHBondContact O-N 2.96Å; G354-G356 VanDerWaalsContact O-N 3.17Å
355F59.6Low57.7Low121 Ų12174.8 Ų74.853%0.53143%0.425SS..  trans-87.143.7169.7-86.2-94.6000111.7I352 P353I352-F355 HydrophobicContact CB-CB 4.25Å; I352-F355 HydrophobicContact CG2-CB 4.35Å; I352-F355 HydrophobicContact CG2-CD2 3.78Å; I352-F355 HydrophobicContact CG2-CG 4.4Å; I352-F355 PolarHBondContact O-N 2.81Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.24Å
356G54.4Low57.9Low30 Ų3077.1 Ų77.131%0.30944%0.437SS..  trans-55.3165-178.200000113.3G354 D358 F359G354-G356 PolarHBondContact O-N 2.96Å; G354-G356 VanDerWaalsContact O-N 3.17Å; G356-D358 PolarHBondContact O-N 3.29Å; G356-F359 PolarHBondContact O-N 3.17Å
357T54.3Low58.4Low88 Ų8880.1 Ų80.154%0.5445%0.448SS..G310 helixtrans-52-12.8-178.452.30000115.4F359 M360T357-F359 VanDerWaalsContact C-N 3.31Å; T357-F359 PolarHBondContact O-N 2.99Å; T357-M360 PolarHBondContact O-N 3.14Å
358D51.9Low58.8Low108 Ų10880.1 Ų80.158%0.57846%0.455SS*.G310 helixtrans-70.3-23.3-177.4-65.8-18.5000113.1R15 G356 M360R15-D358 IonicContact NH1-OD2 2.94Å; R15-D358 IonicContact NH2-OD2 3.71Å; G356-D358 PolarHBondContact O-N 3.29Å; D358-M360 VanDerWaalsContact C-N 3.27Å; D358-M360 PolarHBondContact O-N 3.15Å
359F48.5Very low59.4Low190 Ų19081.4 Ų81.483%0.83346%0.461SS*.G310 helixtrans-82.4-4.2174.2-120.1-91.6000113.7G356 T357G356-F359 PolarHBondContact O-N 3.17Å; T357-F359 VanDerWaalsContact C-N 3.31Å; T357-F359 PolarHBondContact O-N 2.99Å
360M47Very low60.2Low54 Ų5482.4 Ų82.427%0.26648%0.475SS..  trans-108.694.1-172.9-69.7-91.5-85.200110.2L349 T357 D358 K362 E365L349-M360 HydrophobicContact CD1-SD 4.28Å; T357-M360 PolarHBondContact O-N 3.14Å; D358-M360 VanDerWaalsContact C-N 3.27Å; D358-M360 PolarHBondContact O-N 3.15Å; M360-K362 PolarHBondContact O-N 2.95Å; M360-E365 HydrophobicContact CE-CG 3.77Å; M360-E365 WeakPolarHBondContact CE-OE1 3.42Å
361S46.6Very low61.2Low75 Ų7587.7 Ų87.752%0.52448%0.484SS..  trans-60.6109154.852.40000107.2G363 N364S361-G363 PolarHBondContact O-N 3.11Å; S361-N364 PolarHBondContact O-N 3.5Å; S361-N364 VanDerWaalsContact O-N 3.15Å; S361-N364 PolarHBondContact OG-ND2 3.3Å
362K50.8Low62.2Low180 Ų18088.9 Ų88.978%0.78349%0.491SS*.THydrogen-bonded Turntrans-51.23.4-175.5-71.2-177.2174176.80116.6M360M360-K362 PolarHBondContact O-N 2.95Å
363G51.6Low63.3Low52 Ų5292.2 Ų92.254%0.53650%0.503SS..THydrogen-bonded Turntrans-92.9-19174.500000115.5S361 E365S361-G363 PolarHBondContact O-N 3.11Å; G363-E365 PolarHBondContact O-N 2.83Å
364N61Low64.8Low87 Ų8793.1 Ų93.147%0.46550%0.501SS..Hα-helixtrans-81.7-16.5-168.6-69.80.6000114.5S361 S368S361-N364 PolarHBondContact O-N 3.5Å; S361-N364 VanDerWaalsContact O-N 3.15Å; S361-N364 PolarHBondContact OG-ND2 3.3Å; N364-S368 VanDerWaalsContact O-CB 3.24Å; N364-S368 WeakPolarHBondContact O-CB 3.48Å; N364-S368 PolarHBondContact O-N 3.43Å; N364-S368 PolarHBondContact O-OG 3.49Å
365E60.8Low66.1Low67 Ų6790.6 Ų90.631%0.31347%0.469SS..Hα-helixtrans-75-51.9-171.4-69.7176.5-144.900113.4S346 M360 G363 E367 S368 M369S346-E365 WeakPolarHBondContact CB-OE1 3.33Å; S346-E365 WeakPolarHBondContact CB-OE2 3.41Å; S346-E365 VanDerWaalsContact OG-CD 3.25Å; S346-E365 PolarHBondContact OG-OE2 3.03Å; M360-E365 HydrophobicContact CE-CG 3.77Å; M360-E365 WeakPolarHBondContact CE-OE1 3.42Å; G363-E365 PolarHBondContact O-N 2.83Å; E365-E367 PolarHBondContact O-N 3.13Å; E365-S368 PolarHBondContact O-N 3.23Å; E365-S368 VanDerWaalsContact O-N 3.15Å; E365-M369 PolarHBondContact O-N 2.95Å
366Q66.2Low67.6Low171 Ų17185.7 Ų85.780%0.79945%0.448SS*.Hα-helixtrans-61.4-38175.4-73.2-175.9-12.100110.1A370Q366-A370 WeakPolarHBondContact O-CB 3.2Å; Q366-A370 PolarHBondContact O-N 2.86Å
367E71.6Confident69.4Low90 Ų9086.9 Ų86.942%0.42145%0.45SS..Hα-helixtrans-65.3-40.4175.4-158.1-173.2163.700111.9E365 A370 R371E365-E367 PolarHBondContact O-N 3.13Å; E367-A370 PolarHBondContact O-N 3.1Å; E367-R371 VanDerWaalsContact O-CB 3.27Å; E367-R371 WeakPolarHBondContact O-CB 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.47Å; E367-R371 PolarHBondContact O-N 3.16Å; E367-R371 IonicContact OE1-CZ 2.75Å; E367-R371 IonicContact OE1-NE 3.23Å; E367-R371 PolarHBondContact OE1-NE 3.28Å; E367-R371 IonicContact OE1-NH2 2.69Å; E367-R371 PolarHBondContact OE1-NH2 3Å
368S73.3Confident71.2Confident61 Ų6182.7 Ų82.743%0.42742%0.424SS..Hα-helixtrans-65.3-44.3177.5-63.20000111.9N364 E365 R371 L372N364-S368 VanDerWaalsContact O-CB 3.24Å; N364-S368 WeakPolarHBondContact O-CB 3.48Å; N364-S368 PolarHBondContact O-N 3.43Å; N364-S368 PolarHBondContact O-OG 3.49Å; E365-S368 PolarHBondContact O-N 3.23Å; E365-S368 VanDerWaalsContact O-N 3.15Å; S368-R371 PolarHBondContact O-N 3.48Å; S368-L372 WeakPolarHBondContact O-CG 3.21Å; S368-L372 PolarHBondContact O-N 2.99Å
369M76.3Confident73Confident58 Ų5877.6 Ų77.629%0.28640%0.397SS..Hα-helixtrans-67.2-40175.6-70.6-64.1-100.500111.8E365 R371 L372 K373E365-M369 PolarHBondContact O-N 2.95Å; M369-R371 VanDerWaalsContact C-N 3.33Å; M369-R371 PolarHBondContact O-N 3.47Å; M369-L372 PolarHBondContact O-N 3.12Å; M369-L372 HydrophobicContact SD-CD1 4.31Å; M369-K373 WeakPolarHBondContact O-CB 3.47Å; M369-K373 PolarHBondContact O-N 3.37Å
370A82.3Confident75.1Confident60 Ų6073 Ų7350%0.49638%0.381SS..Hα-helixtrans-63.5-39.3174.200000111.7Q366 E367 K373 K374Q366-A370 WeakPolarHBondContact O-CB 3.2Å; Q366-A370 PolarHBondContact O-N 2.86Å; E367-A370 PolarHBondContact O-N 3.1Å; A370-K373 PolarHBondContact O-N 2.99Å; A370-K374 WeakPolarHBondContact O-CB 3.38Å; A370-K374 PolarHBondContact O-N 3.49Å
371R83.8Confident77.2Confident145 Ų14571.9 Ų71.955%0.54738%0.379SS..Hα-helixtrans-63.3-47.8173.4-76.8172.8-176.4-152.26.3111.2E367 S368 M369 K373 K374 L375E367-R371 VanDerWaalsContact O-CB 3.27Å; E367-R371 WeakPolarHBondContact O-CB 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.47Å; E367-R371 PolarHBondContact O-N 3.16Å; E367-R371 IonicContact OE1-CZ 2.75Å; E367-R371 IonicContact OE1-NE 3.23Å; E367-R371 PolarHBondContact OE1-NE 3.28Å; E367-R371 IonicContact OE1-NH2 2.69Å; E367-R371 PolarHBondContact OE1-NH2 3Å; S368-R371 PolarHBondContact O-N 3.48Å; M369-R371 VanDerWaalsContact C-N 3.33Å; M369-R371 PolarHBondContact O-N 3.47Å; R371-K373 VanDerWaalsContact C-N 3.34Å; R371-K373 PolarHBondContact O-N 3.35Å; R371-K374 WeakPolarHBondContact O-CB 3.38Å; R371-K374 PolarHBondContact O-N 2.84Å; R371-L375 WeakPolarHBondContact O-CG 3.05Å; R371-L375 PolarHBondContact O-N 2.86Å
372L84.1Confident79.4Confident34 Ų3469.1 Ų69.118%0.17836%0.357CS..Hα-helixtrans-59-45.7176.2-74175.9000111.8F336 I339 S368 M369 K374 L375 M376F336-L372 HydrophobicContact CD1-CD2 3.98Å; F336-L372 HydrophobicContact CD2-CD2 4.37Å; F336-L372 HydrophobicContact CE1-CD2 4.09Å; F336-L372 HydrophobicContact CE2-CD2 4.49Å; F336-L372 HydrophobicContact CG-CD2 4.14Å; F336-L372 HydrophobicContact CZ-CD2 4.36Å; I339-L372 HydrophobicContact CG2-CD1 4.05Å; S368-L372 WeakPolarHBondContact O-CG 3.21Å; S368-L372 PolarHBondContact O-N 2.99Å; M369-L372 PolarHBondContact O-N 3.12Å; M369-L372 HydrophobicContact SD-CD1 4.31Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 2.79Å; L372-L375 PolarHBondContact O-N 3Å; L372-M376 WeakPolarHBondContact O-CG 3.33Å; L372-M376 PolarHBondContact O-N 3.19Å
373K86.2Confident81.4Confident132 Ų13263.3 Ų63.357%0.57434%0.335SS*.Hα-helixtrans-60.7-42.1175.8-169.8174.2-178.7178.10111.7M369 A370 R371 L375 M376 T377M369-K373 WeakPolarHBondContact O-CB 3.47Å; M369-K373 PolarHBondContact O-N 3.37Å; A370-K373 PolarHBondContact O-N 2.99Å; R371-K373 VanDerWaalsContact C-N 3.34Å; R371-K373 PolarHBondContact O-N 3.35Å; K373-L375 PolarHBondContact O-N 3.26Å; K373-M376 PolarHBondContact O-N 3.05Å; K373-T377 PolarHBondContact O-N 2.86Å; K373-T377 PolarHBondContact O-OG1 2.89Å
374K89.2Confident83.2Confident76 Ų7665.9 Ų65.933%0.3334%0.336SS..Hα-helixtrans-58.5-46.7174.1-175-176.6-177.4-176.50111.4A370 R371 L372 M376 T377 I378 V412 D416A370-K374 WeakPolarHBondContact O-CB 3.38Å; A370-K374 PolarHBondContact O-N 3.49Å; R371-K374 WeakPolarHBondContact O-CB 3.38Å; R371-K374 PolarHBondContact O-N 2.84Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 2.79Å; K374-M376 VanDerWaalsContact C-N 3.32Å; K374-M376 PolarHBondContact O-N 3.19Å; K374-T377 PolarHBondContact O-N 2.99Å; K374-I378 HydrophobicContact CG-CD1 4.43Å; K374-I378 VanDerWaalsContact O-CG1 3.29Å; K374-I378 WeakPolarHBondContact O-CG1 3.43Å; K374-I378 PolarHBondContact O-N 2.67Å; K374-V412 HydrophobicContact CD-CG1 4.42Å; K374-V412 HydrophobicContact CG-CG1 4.03Å; K374-D416 VanDerWaalsContact CE-CG 3.49Å; K374-D416 WeakPolarHBondContact CE-OD2 3.34Å; K374-D416 IonicContact NZ-OD1 3.49Å; K374-D416 PolarHBondContact NZ-OD1 3.27Å; K374-D416 IonicContact NZ-OD2 3.65Å; K374-D416 PolarHBondContact NZ-OD2 2.95Å
375L89.5Confident84.4Confident23 Ų2369 Ų6912%0.1235%0.348CS..Hα-helixtrans-62.3-39.5177.4-64.1177.6000112F336 R371 L372 K373 I378 M379 L420F336-L375 HydrophobicContact CD2-CB 4.37Å; F336-L375 HydrophobicContact CE2-CB 3.95Å; F336-L375 HydrophobicContact CE2-CD1 3.86Å; F336-L375 HydrophobicContact CZ-CD1 4.15Å; R371-L375 WeakPolarHBondContact O-CG 3.05Å; R371-L375 PolarHBondContact O-N 2.86Å; L372-L375 PolarHBondContact O-N 3Å; K373-L375 PolarHBondContact O-N 3.26Å; L375-I378 HydrophobicContact CD2-CD1 4.48Å; L375-I378 WeakPolarHBondContact O-CB 3.41Å; L375-I378 PolarHBondContact O-N 3.22Å; L375-M379 PolarHBondContact O-N 2.95Å; L375-M379 VanDerWaalsContact O-N 3.09Å; L375-L420 HydrophobicContact CB-CD1 3.68Å; L375-L420 HydrophobicContact CD1-CD1 4.49Å; L375-L420 HydrophobicContact CD2-CB 4.03Å; L375-L420 HydrophobicContact CD2-CD1 3.6Å; L375-L420 HydrophobicContact CD2-CG 4.44Å; L375-L420 HydrophobicContact CG-CD1 4.08Å
376M89.5Confident85.8Confident18 Ų1865.8 Ų65.89%0.08933%0.333CS..Hα-helixtrans-63.5-45.6174.2-71.1176.962.200112.2Y333 F336 Q337 M340 L372 K373 K374 I378 M379 D380Y333-M376 HydrophobicContact CD2-CB 4.3Å; Y333-M376 HydrophobicContact CD2-CG 4.17Å; Y333-M376 HydrophobicContact CE1-CE 4.32Å; Y333-M376 HydrophobicContact CE2-CB 3.82Å; Y333-M376 HydrophobicContact CE2-CE 3.89Å; Y333-M376 HydrophobicContact CE2-CG 4.04Å; F336-M376 HydrophobicContact CB-CG 4.02Å; F336-M376 HydrophobicContact CB-SD 4.02Å; F336-M376 HydrophobicContact CD2-CG 4.25Å; Q337-M376 HydrophobicContact CG-CE 3.43Å; Q337-M376 VanDerWaalsContact CG-CE 3.43Å; Q337-M376 HydrophobicContact CG-SD 4.49Å; M340-M376 HydrophobicContact CG-SD 4.42Å; M340-M376 HydrophobicContact SD-CE 4.33Å; M340-M376 HydrophobicContact SD-SD 3.38Å; L372-M376 WeakPolarHBondContact O-CG 3.33Å; L372-M376 PolarHBondContact O-N 3.19Å; K373-M376 PolarHBondContact O-N 3.05Å; K374-M376 VanDerWaalsContact C-N 3.32Å; K374-M376 PolarHBondContact O-N 3.19Å; M376-I378 PolarHBondContact O-N 3.08Å; M376-M379 HydrophobicContact CG-CE 4.3Å; M376-M379 CarbonylContact O-C 3.6Å; M376-M379 WeakPolarHBondContact O-CA 3.34Å; M376-M379 WeakPolarHBondContact O-CB 3.38Å; M376-M379 PolarHBondContact O-N 3.02Å; M376-D380 VanDerWaalsContact O-CG 3.26Å; M376-D380 PolarHBondContact O-N 2.91Å
377T92.3Very high86.7Confident56 Ų5658.5 Ų58.534%0.34430%0.299SS..Hα-helixtrans-60.4-33.9176-550000112.5K373 K374 S381K373-T377 PolarHBondContact O-N 2.86Å; K373-T377 PolarHBondContact O-OG1 2.89Å; K374-T377 PolarHBondContact O-N 2.99Å; T377-S381 PolarHBondContact O-N 2.87Å; T377-S381 PolarHBondContact O-OG 3.23Å
378I92.6Very high87.4Confident0 Ų057.5 Ų57.50%030%0.297CS..Hα-helixtrans-64.5-44.7172.4-66.1169000110.6K374 L375 M376 S381 M382 V406 V412 D416 V417 L420K374-I378 HydrophobicContact CG-CD1 4.43Å; K374-I378 VanDerWaalsContact O-CG1 3.29Å; K374-I378 WeakPolarHBondContact O-CG1 3.43Å; K374-I378 PolarHBondContact O-N 2.67Å; L375-I378 HydrophobicContact CD2-CD1 4.48Å; L375-I378 WeakPolarHBondContact O-CB 3.41Å; L375-I378 PolarHBondContact O-N 3.22Å; M376-I378 PolarHBondContact O-N 3.08Å; I378-S381 WeakPolarHBondContact O-CB 3.29Å; I378-S381 PolarHBondContact O-N 3.05Å; I378-M382 HydrophobicContact CG2-CE 4.08Å; I378-V406 HydrophobicContact CG2-CG1 3.62Å; I378-V406 WeakPolarHBondContact O-CG1 3.42Å; I378-V412 HydrophobicContact CD1-CG1 4.36Å; I378-V412 HydrophobicContact CD1-CG2 3.87Å; I378-V412 HydrophobicContact CG1-CG1 4.16Å; I378-V412 HydrophobicContact CG1-CG2 3.79Å; I378-D416 HydrophobicContact CD1-CB 4.07Å; I378-V417 HydrophobicContact CG2-CB 4.47Å; I378-V417 HydrophobicContact CG2-CG1 4.31Å; I378-V417 HydrophobicContact CG2-CG2 4.01Å; I378-L420 HydrophobicContact CG2-CD2 3.81Å
379M90.5Very high87.8Confident1 Ų155.9 Ų55.91%0.00529%0.286CS..Hα-helixtrans-67.4-36177.7-71.3-173.7-78.700112.5L329 M332 Y333 F336 L375 M376 S381 M382 L387 L420L329-M379 HydrophobicContact CD2-SD 4.49Å; M332-M379 HydrophobicContact CE-CE 3.88Å; M332-M379 HydrophobicContact CE-SD 3.48Å; M332-M379 WeakPolarHBondContact CE-SD 3.4Å; Y333-M379 HydrophobicContact CD2-CB 3.78Å; Y333-M379 HydrophobicContact CD2-CE 3.82Å; Y333-M379 HydrophobicContact CD2-SD 4.2Å; Y333-M379 HydrophobicContact CE2-CB 4.38Å; Y333-M379 HydrophobicContact CG-CE 4.41Å; F336-M379 HydrophobicContact CD2-CE 3.41Å; F336-M379 VanDerWaalsContact CD2-CE 3.41Å; F336-M379 HydrophobicContact CE2-CE 3.68Å; L375-M379 PolarHBondContact O-N 2.95Å; L375-M379 VanDerWaalsContact O-N 3.09Å; M376-M379 HydrophobicContact CG-CE 4.3Å; M376-M379 CarbonylContact O-C 3.6Å; M376-M379 WeakPolarHBondContact O-CA 3.34Å; M376-M379 WeakPolarHBondContact O-CB 3.38Å; M376-M379 PolarHBondContact O-N 3.02Å; M379-S381 PolarHBondContact O-N 2.93Å; M379-S381 VanDerWaalsContact O-N 3.13Å; M379-M382 WeakPolarHBondContact O-CB 3.46Å; M379-M382 PolarHBondContact O-N 2.74Å; M379-L387 HydrophobicContact CB-CD2 4.17Å; M379-L420 HydrophobicContact CE-CD1 4.31Å; M379-L420 HydrophobicContact CG-CD1 4.17Å; M379-L420 HydrophobicContact CG-CD2 3.97Å; M379-L420 HydrophobicContact SD-CD1 4.38Å
380D91.9Very high87.6Confident94 Ų9457.3 Ų57.350%0.50330%0.298SS..Hα-helixtrans-61.5-20.2174-65.1-33.7000112.4Y333 M376Y333-D380 WeakPolarHBondContact CE2-OD1 3.36Å; Y333-D380 PolarHBondContact OH-OD1 2.69Å; M376-D380 VanDerWaalsContact O-CG 3.26Å; M376-D380 PolarHBondContact O-N 2.91Å
381S92.3Very high87.3Confident30 Ų3057.1 Ų57.121%0.2129%0.289CS..THydrogen-bonded Turntrans-89.82177-59.60000114T377 I378 M379 S410T377-S381 PolarHBondContact O-N 2.87Å; T377-S381 PolarHBondContact O-OG 3.23Å; I378-S381 WeakPolarHBondContact O-CB 3.29Å; I378-S381 PolarHBondContact O-N 3.05Å; M379-S381 PolarHBondContact O-N 2.93Å; M379-S381 VanDerWaalsContact O-N 3.13Å; S381-S410 WeakPolarHBondContact OG-CB 3.4Å; S381-S410 PolarHBondContact OG-N 3.48Å
382M92.6Very high86.9Confident16 Ų1650.2 Ų50.28%0.07926%0.263CS..SBendtrans-94.3156.2176.5-58.6-174.5179.600110.7L329 I378 M379 E386 L387 F396 V406 L420L329-M382 HydrophobicContact CD1-CE 4.46Å; L329-M382 HydrophobicContact CD1-SD 3.81Å; I378-M382 HydrophobicContact CG2-CE 4.08Å; M379-M382 WeakPolarHBondContact O-CB 3.46Å; M379-M382 PolarHBondContact O-N 2.74Å; M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.09Å; M382-E386 WeakPolarHBondContact CB-OE2 3.43Å; M382-L387 HydrophobicContact CB-CD1 4.49Å; M382-L387 HydrophobicContact CB-CD2 3.91Å; M382-L387 HydrophobicContact CB-CG 3.87Å; M382-L387 HydrophobicContact CG-CD2 4.46Å; M382-L387 HydrophobicContact SD-CD2 4.03Å; M382-F396 HydrophobicContact CE-CE1 4.41Å; M382-F396 HydrophobicContact CE-CE2 4.08Å; M382-F396 HydrophobicContact CE-CZ 3.72Å; M382-F396 HydrophobicContact CG-CZ 3.93Å; M382-F396 HydrophobicContact SD-CE2 3.87Å; M382-F396 HydrophobicContact SD-CZ 3.57Å; M382-F396 VanDerWaalsContact SD-CZ 3.57Å; M382-V406 HydrophobicContact CE-CG1 4.21Å; M382-V406 HydrophobicContact CG-CG1 4.34Å; M382-V406 HydrophobicContact CG-CG2 3.93Å; M382-L420 HydrophobicContact CE-CD2 3.5Å
383N91.3Very high86.6Confident58 Ų5849.3 Ų49.331%0.3126%0.26SS..  trans-88.1165.7172.862.236.6000111.6Q385 E386 L387N383-Q385 VanDerWaalsContact C-N 3.25Å; N383-Q385 PolarHBondContact O-N 3.49Å; N383-Q385 PolarHBondContact OD1-N 3.38Å; N383-E386 VanDerWaalsContact CG-CD 3.44Å; N383-E386 PolarHBondContact N-OE2 3.26Å; N383-E386 VanDerWaalsContact N-OE2 3.09Å; N383-E386 PolarHBondContact ND2-OE1 2.83Å; N383-E386 VanDerWaalsContact ND2-OE1 3.1Å; N383-E386 WeakPolarHBondContact O-CB 3.49Å; N383-E386 PolarHBondContact O-N 2.73Å; N383-E386 VanDerWaalsContact OD1-CB 3.31Å; N383-E386 WeakPolarHBondContact OD1-CB 3.45Å; N383-E386 WeakPolarHBondContact OD1-CG 3.43Å; N383-E386 PolarHBondContact OD1-N 2.99Å; N383-L387 PolarHBondContact O-N 2.83Å
384D89.5Confident86.3Confident106 Ų10648.9 Ų48.957%0.56726%0.258SS*.Hα-helixtrans-57.7-37.8-178.6-64.1-39.7000112.6R330 E386 L387 D388R330-D384 IonicContact CZ-OD1 2.82Å; R330-D384 IonicContact NH2-OD1 3.66Å; R330-D384 PolarHBondContact NH2-OD1 2.88Å; D384-E386 VanDerWaalsContact C-N 3.29Å; D384-E386 PolarHBondContact O-N 2.97Å; D384-L387 PolarHBondContact O-N 3.08Å; D384-D388 VanDerWaalsContact O-CB 3.28Å; D384-D388 WeakPolarHBondContact O-CB 3.35Å; D384-D388 PolarHBondContact O-N 3.23Å; D384-D388 VanDerWaalsContact O-OD2 3.12Å
385Q87.3Confident86Confident153 Ų15346.7 Ų46.772%0.71525%0.251SS*.Hα-helixtrans-64-32.8176.8-66.2-177.1-3.300113.1N383 S389N383-Q385 VanDerWaalsContact C-N 3.25Å; N383-Q385 PolarHBondContact O-N 3.49Å; N383-Q385 PolarHBondContact OD1-N 3.38Å; Q385-S389 WeakPolarHBondContact O-CB 3.41Å; Q385-S389 PolarHBondContact O-N 3.28Å
386E88.6Confident85.8Confident0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-76-39.5175.6-74.1157-168.800111.2M382 N383 D384 V395 F396 R402 R405M382-E386 WeakPolarHBondContact CA-OE2 3.45Å; M382-E386 HydrophobicContact CB-CB 4.09Å; M382-E386 WeakPolarHBondContact CB-OE2 3.43Å; N383-E386 VanDerWaalsContact CG-CD 3.44Å; N383-E386 PolarHBondContact N-OE2 3.26Å; N383-E386 VanDerWaalsContact N-OE2 3.09Å; N383-E386 PolarHBondContact ND2-OE1 2.83Å; N383-E386 VanDerWaalsContact ND2-OE1 3.1Å; N383-E386 WeakPolarHBondContact O-CB 3.49Å; N383-E386 PolarHBondContact O-N 2.73Å; N383-E386 VanDerWaalsContact OD1-CB 3.31Å; N383-E386 WeakPolarHBondContact OD1-CB 3.45Å; N383-E386 WeakPolarHBondContact OD1-CG 3.43Å; N383-E386 PolarHBondContact OD1-N 2.99Å; D384-E386 VanDerWaalsContact C-N 3.29Å; D384-E386 PolarHBondContact O-N 2.97Å; E386-V395 HydrophobicContact CG-CG1 4.18Å; E386-F396 HydrophobicContact CB-CE2 4.03Å; E386-F396 HydrophobicContact CB-CZ 3.9Å; E386-F396 HydrophobicContact CG-CE2 4.17Å; E386-F396 HydrophobicContact CG-CZ 3.85Å; E386-R402 WeakPolarHBondContact OE1-CD 3.47Å; E386-R402 IonicContact OE1-CZ 3.28Å; E386-R402 IonicContact OE1-NE 3.95Å; E386-R402 IonicContact OE1-NH1 2.71Å; E386-R402 PolarHBondContact OE1-NH1 2.74Å; E386-R405 VanDerWaalsContact CD-NH2 3.25Å; E386-R405 IonicContact OE1-CZ 2.64Å; E386-R405 IonicContact OE1-NH1 3.19Å; E386-R405 PolarHBondContact OE1-NH1 3.24Å; E386-R405 IonicContact OE1-NH2 3.26Å; E386-R405 PolarHBondContact OE1-NH2 3.09Å; E386-R405 VanDerWaalsContact OE1-NH2 3.08Å; E386-R405 IonicContact OE2-CZ 3.49Å; E386-R405 IonicContact OE2-NH1 2.68Å; E386-R405 IonicContact OE2-NH2 3.58Å; E386-R405 PolarHBondContact OE2-NH2 3.37Å
387L87.1Confident85.5Confident17 Ų1749.2 Ų49.29%0.08927%0.272CS..Hα-helixtrans-71.2-41.3-179-71.3174.2000112.8T328 L329 R330 M379 M382 N383 D384T328-L387 WeakPolarHBondContact CB-O 3.03Å; L329-L387 HydrophobicContact CB-CD2 3.99Å; L329-L387 PolarHBondContact N-O 3.14Å; R330-L387 HydrophobicContact CB-CB 4.35Å; R330-L387 PolarHBondContact N-O 3.32Å; R330-L387 VanDerWaalsContact N-O 3.1Å; M379-L387 HydrophobicContact CB-CD2 4.17Å; M382-L387 HydrophobicContact CB-CD1 4.49Å; M382-L387 HydrophobicContact CB-CD2 3.91Å; M382-L387 HydrophobicContact CB-CG 3.87Å; M382-L387 HydrophobicContact CG-CD2 4.46Å; M382-L387 HydrophobicContact SD-CD2 4.03Å; N383-L387 PolarHBondContact O-N 2.83Å; D384-L387 PolarHBondContact O-N 3.08Å
388D85.1Confident85.1Confident69 Ų6954.8 Ų54.837%0.36929%0.292SS..SBendtrans-94.1-0.3-173.5-62.5-45.7000113.4R330 D384 T390R330-D388 WeakPolarHBondContact CB-OD1 3.32Å; R330-D388 WeakPolarHBondContact CD-OD1 3.3Å; R330-D388 IonicContact CZ-OD1 2.69Å; R330-D388 IonicContact CZ-OD2 2.9Å; R330-D388 IonicContact NE-OD1 3.87Å; R330-D388 PolarHBondContact NE-OD1 3.34Å; R330-D388 IonicContact NE-OD2 3.85Å; R330-D388 PolarHBondContact NE-OD2 2.84Å; R330-D388 IonicContact NH2-OD1 3.4Å; R330-D388 IonicContact NH2-OD2 2.66Å; R330-D388 PolarHBondContact NH2-OD2 2.87Å; D384-D388 VanDerWaalsContact O-CB 3.28Å; D384-D388 WeakPolarHBondContact O-CB 3.35Å; D384-D388 PolarHBondContact O-N 3.23Å; D384-D388 VanDerWaalsContact O-OD2 3.12Å; D388-T390 PolarHBondContact O-N 2.71Å
389S80.9Confident84.8Confident28 Ų2859.7 Ų59.720%0.19632%0.315CS..  trans-67.2129.4175.7-1710000110.9Q385 D391 G392 V395Q385-S389 WeakPolarHBondContact O-CB 3.41Å; Q385-S389 PolarHBondContact O-N 3.28Å; S389-D391 PolarHBondContact O-N 3.21Å; S389-D391 VanDerWaalsContact O-N 3.11Å; S389-D391 PolarHBondContact OG-N 2.91Å; S389-G392 PolarHBondContact O-N 3.42Å; S389-V395 WeakPolarHBondContact OG-CG2 3.35Å
390T72.8Confident84.5Confident88 Ų8863.7 Ų63.754%0.5434%0.341SS..THydrogen-bonded Turntrans-62.4-14.9172.450.90000113.4Q326 D388Q326-T390 HydrophobicContact CB-CG2 4.36Å; Q326-T390 HydrophobicContact CG-CG2 4.14Å; D388-T390 PolarHBondContact O-N 2.71Å
391D76.4Confident84.4Confident56 Ų5661.5 Ų61.530%0.29934%0.34SS..THydrogen-bonded Turntrans-135.853.6176.1-154.7-23.5000110S389 A393 K394 V395S389-D391 PolarHBondContact O-N 3.21Å; S389-D391 VanDerWaalsContact O-N 3.11Å; S389-D391 PolarHBondContact OG-N 2.91Å; D391-A393 PolarHBondContact O-N 2.91Å; D391-A393 VanDerWaalsContact O-N 3.13Å; D391-K394 HydrophobicContact CB-CB 4.35Å; D391-K394 PolarHBondContact O-N 3.12Å; D391-K394 VanDerWaalsContact OD1-CG 3.29Å; D391-K394 WeakPolarHBondContact OD1-CG 3.17Å; D391-K394 WeakPolarHBondContact OD2-CD 3.39Å; D391-K394 WeakPolarHBondContact OD2-CE 3.24Å; D391-K394 IonicContact OD2-NZ 2.83Å; D391-K394 PolarHBondContact OD2-NZ 3.01Å; D391-V395 PolarHBondContact O-N 3.26Å
392G74.6Confident84.4Confident0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-50.1-40.7-176.700000112.6S389 K394 V395 F396S389-G392 PolarHBondContact O-N 3.42Å; G392-K394 VanDerWaalsContact C-N 3.32Å; G392-K394 PolarHBondContact O-N 2.91Å; G392-V395 WeakPolarHBondContact O-CB 3.44Å; G392-V395 PolarHBondContact O-N 3.15Å; G392-F396 VanDerWaalsContact O-CD2 3.23Å; G392-F396 WeakPolarHBondContact O-CD2 3.31Å; G392-F396 PolarHBondContact O-N 3.11Å
393A77.5Confident84.3Confident15 Ų1562.3 Ų62.312%0.12434%0.339CS..Hα-helixtrans-57.6-40176.600000113.2D391 V395 F396 S397 Y424 T425D391-A393 PolarHBondContact O-N 2.91Å; D391-A393 VanDerWaalsContact O-N 3.13Å; A393-V395 VanDerWaalsContact C-N 3.35Å; A393-V395 PolarHBondContact O-N 3.16Å; A393-F396 PolarHBondContact O-N 2.77Å; A393-S397 PolarHBondContact O-N 3.28Å; A393-S397 PolarHBondContact O-OG 3.37Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; A393-Y424 HydrophobicContact CB-CD1 4.32Å; A393-Y424 HydrophobicContact CB-CE1 4.36Å; A393-T425 WeakPolarHBondContact CB-OG1 3.4Å
394K80.1Confident84.3Confident123 Ų12364.8 Ų64.854%0.53535%0.349SS..Hα-helixtrans-69.2-31.2176.4-79.3-172.1-160.5148.30113.1D391 G392 F396 S397 K398D391-K394 HydrophobicContact CB-CB 4.35Å; D391-K394 PolarHBondContact O-N 3.12Å; D391-K394 VanDerWaalsContact OD1-CG 3.29Å; D391-K394 WeakPolarHBondContact OD1-CG 3.17Å; D391-K394 WeakPolarHBondContact OD2-CD 3.39Å; D391-K394 WeakPolarHBondContact OD2-CE 3.24Å; D391-K394 IonicContact OD2-NZ 2.83Å; D391-K394 PolarHBondContact OD2-NZ 3.01Å; G392-K394 VanDerWaalsContact C-N 3.32Å; G392-K394 PolarHBondContact O-N 2.91Å; K394-F396 VanDerWaalsContact C-N 3.31Å; K394-F396 PolarHBondContact O-N 2.92Å; K394-S397 PolarHBondContact O-N 3.46Å; K394-K398 WeakPolarHBondContact O-CG 3.3Å; K394-K398 PolarHBondContact O-N 3.02Å
395V83.9Confident84.5Confident30 Ų3064.8 Ų64.818%0.18234%0.341CS..Hα-helixtrans-61.8-43.7176.9-179.70000110.4E386 S389 D391 G392 A393 Q399 R402E386-V395 HydrophobicContact CG-CG1 4.18Å; S389-V395 WeakPolarHBondContact OG-CG2 3.35Å; D391-V395 PolarHBondContact O-N 3.26Å; G392-V395 WeakPolarHBondContact O-CB 3.44Å; G392-V395 PolarHBondContact O-N 3.15Å; A393-V395 VanDerWaalsContact C-N 3.35Å; A393-V395 PolarHBondContact O-N 3.16Å; V395-Q399 PolarHBondContact O-N 3.28Å; V395-R402 VanDerWaalsContact CG1-CZ 3.41Å
396F85.6Confident84.8Confident1 Ų157.5 Ų57.50%0.00431%0.307CS..Hα-helixtrans-69.5-36.3175.1-72.3-80.2000113L329 M382 E386 G392 A393 K394 Q399 R402 I403 V406 L421L329-F396 HydrophobicContact CD1-CE2 4.18Å; M382-F396 HydrophobicContact CE-CE1 4.41Å; M382-F396 HydrophobicContact CE-CE2 4.08Å; M382-F396 HydrophobicContact CE-CZ 3.72Å; M382-F396 HydrophobicContact CG-CZ 3.93Å; M382-F396 HydrophobicContact SD-CE2 3.87Å; M382-F396 HydrophobicContact SD-CZ 3.57Å; M382-F396 VanDerWaalsContact SD-CZ 3.57Å; E386-F396 HydrophobicContact CB-CE2 4.03Å; E386-F396 HydrophobicContact CB-CZ 3.9Å; E386-F396 HydrophobicContact CG-CE2 4.17Å; E386-F396 HydrophobicContact CG-CZ 3.85Å; G392-F396 VanDerWaalsContact O-CD2 3.23Å; G392-F396 WeakPolarHBondContact O-CD2 3.31Å; G392-F396 PolarHBondContact O-N 3.11Å; A393-F396 PolarHBondContact O-N 2.77Å; K394-F396 VanDerWaalsContact C-N 3.31Å; K394-F396 PolarHBondContact O-N 2.92Å; F396-Q399 CarbonylContact O-C 3.47Å; F396-Q399 VanDerWaalsContact O-C 3.29Å; F396-Q399 PolarHBondContact O-N 2.88Å; F396-R402 HydrophobicContact CD1-CB 3.64Å; F396-R402 HydrophobicContact CE1-CB 3.76Å; F396-I403 HydrophobicContact CB-CD1 4.38Å; F396-I403 HydrophobicContact CB-CG1 4.11Å; F396-I403 HydrophobicContact CD1-CG1 3.88Å; F396-I403 HydrophobicContact CG-CG1 4.42Å; F396-V406 HydrophobicContact CE1-CG2 3.92Å; F396-V406 HydrophobicContact CZ-CG2 4.39Å; F396-L421 HydrophobicContact CB-CD1 3.56Å; F396-L421 HydrophobicContact CD1-CD1 4.32Å; F396-L421 HydrophobicContact CD2-CD1 3.98Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.41Å; F396-L421 HydrophobicContact CE2-CD2 4Å; F396-L421 HydrophobicContact CG-CD1 3.69Å; F396-L421 HydrophobicContact CG-CD2 4.16Å
397S82.2Confident85Confident93 Ų9357.8 Ų57.865%0.6531%0.309SS*.Hα-helixtrans-67.4-35175.8-64.10000113.3A393 K394A393-S397 PolarHBondContact O-N 3.28Å; A393-S397 PolarHBondContact O-OG 3.37Å; A393-S397 VanDerWaalsContact O-OG 3.11Å; K394-S397 PolarHBondContact O-N 3.46Å
398K84.6Confident85.3Confident172 Ų17267 Ų6775%0.74834%0.343SS*.Hα-helixtrans-70.8-32.9177.3-75.6-179.9-178.5-175.90112.9K394K394-K398 WeakPolarHBondContact O-CG 3.3Å; K394-K398 PolarHBondContact O-N 3.02Å
399Q85.9Confident85.6Confident104 Ų10466.5 Ų66.549%0.48635%0.353SS..  trans-131.184.2-178.3-70.3-176.5-19.300110.4V395 F396 G401 R402V395-Q399 PolarHBondContact O-N 3.28Å; F396-Q399 CarbonylContact O-C 3.47Å; F396-Q399 VanDerWaalsContact O-C 3.29Å; F396-Q399 PolarHBondContact O-N 2.88Å; Q399-G401 PolarHBondContact O-N 2.94Å; Q399-R402 HydrophobicContact CB-CG 4.01Å; Q399-R402 WeakPolarHBondContact O-CB 3.25Å; Q399-R402 WeakPolarHBondContact O-CG 3.3Å; Q399-R402 PolarHBondContact O-N 2.91Å; Q399-R402 VanDerWaalsContact OE1-CZ 3.22Å
400P85Confident86.2Confident84 Ų8466 Ų6655%0.54535%0.35SS..THydrogen-bonded Turntrans-56.7-24.8-179.3-27.135.3000114.3R402 I403P400-R402 PolarHBondContact O-N 3.36Å; P400-I403 WeakPolarHBondContact O-CB 3.5Å; P400-I403 PolarHBondContact O-N 3.5Å
401G90.2Very high87.1Confident48 Ų4865.2 Ų65.250%0.49536%0.359SS..Hα-helixtrans-57.8-26.1173.600000113.7Q399 Q404 R405Q399-G401 PolarHBondContact O-N 2.94Å; G401-Q404 PolarHBondContact O-N 3.03Å; G401-R405 PolarHBondContact O-N 2.98Å
402R90.4Very high87.9Confident44 Ų4463.8 Ų63.817%0.16635%0.353CS..Hα-helixtrans-64.6-40.2174.4-64.3179.6-177.8-133.110.5111.9E386 V395 F396 Q399 P400 Q404 R405 V406E386-R402 WeakPolarHBondContact OE1-CD 3.47Å; E386-R402 IonicContact OE1-CZ 3.28Å; E386-R402 IonicContact OE1-NE 3.95Å; E386-R402 IonicContact OE1-NH1 2.71Å; E386-R402 PolarHBondContact OE1-NH1 2.74Å; V395-R402 VanDerWaalsContact CG1-CZ 3.41Å; F396-R402 HydrophobicContact CD1-CB 3.64Å; F396-R402 HydrophobicContact CE1-CB 3.76Å; Q399-R402 HydrophobicContact CB-CG 4.01Å; Q399-R402 WeakPolarHBondContact O-CB 3.25Å; Q399-R402 WeakPolarHBondContact O-CG 3.3Å; Q399-R402 PolarHBondContact O-N 2.91Å; Q399-R402 VanDerWaalsContact OE1-CZ 3.22Å; P400-R402 PolarHBondContact O-N 3.36Å; R402-Q404 VanDerWaalsContact C-N 3.31Å; R402-Q404 PolarHBondContact O-N 2.7Å; R402-R405 PolarHBondContact O-N 2.59Å; R402-V406 WeakPolarHBondContact O-CG2 3.2Å; R402-V406 PolarHBondContact O-N 3.32Å
403I90.8Very high88.8Confident20 Ų2066.3 Ų66.310%0.10337%0.371CS..Hα-helixtrans-61.8-42.9177.9-62.1178.4000110.1F396 P400 V406 A407 T414 V417 Q418 L421F396-I403 HydrophobicContact CB-CD1 4.38Å; F396-I403 HydrophobicContact CB-CG1 4.11Å; F396-I403 HydrophobicContact CD1-CG1 3.88Å; F396-I403 HydrophobicContact CG-CG1 4.42Å; P400-I403 WeakPolarHBondContact O-CB 3.5Å; P400-I403 PolarHBondContact O-N 3.5Å; I403-V406 PolarHBondContact O-N 3.07Å; I403-A407 VanDerWaalsContact O-CB 3.24Å; I403-A407 WeakPolarHBondContact O-CB 3.47Å; I403-A407 PolarHBondContact O-N 2.92Å; I403-T414 HydrophobicContact CG2-CG2 4.29Å; I403-V417 HydrophobicContact CG2-CB 4.02Å; I403-V417 HydrophobicContact CG2-CG1 4.01Å; I403-Q418 HydrophobicContact CD1-CG 4.32Å; I403-L421 HydrophobicContact CD1-CD1 4.4Å; I403-L421 HydrophobicContact CG1-CD1 4.48Å
404Q91.7Very high89.5Confident110 Ų11068.6 Ų68.651%0.51438%0.383SS..Hα-helixtrans-65.9-40.2177.6-65.2-177.40.100112.2G401 R402 R408 T414G401-Q404 PolarHBondContact O-N 3.03Å; R402-Q404 VanDerWaalsContact C-N 3.31Å; R402-Q404 PolarHBondContact O-N 2.7Å; Q404-R408 WeakPolarHBondContact O-CB 3.32Å; Q404-R408 WeakPolarHBondContact O-CG 3.3Å; Q404-R408 PolarHBondContact O-N 3.03Å; Q404-T414 HydrophobicContact CG-CG2 4.37Å
405R93.8Very high90.1Very high106 Ų10672.1 Ų72.140%0.439%0.393SS..Hα-helixtrans-61-50.6175.6-170.8-162.675.1-141.5-7.1111.3E386 G401 R402 R408 G409E386-R405 VanDerWaalsContact CD-NH2 3.25Å; E386-R405 IonicContact OE1-CZ 2.64Å; E386-R405 IonicContact OE1-NH1 3.19Å; E386-R405 PolarHBondContact OE1-NH1 3.24Å; E386-R405 IonicContact OE1-NH2 3.26Å; E386-R405 PolarHBondContact OE1-NH2 3.09Å; E386-R405 VanDerWaalsContact OE1-NH2 3.08Å; E386-R405 IonicContact OE2-CZ 3.49Å; E386-R405 IonicContact OE2-NH1 2.68Å; E386-R405 IonicContact OE2-NH2 3.58Å; E386-R405 PolarHBondContact OE2-NH2 3.37Å; G401-R405 PolarHBondContact O-N 2.98Å; R402-R405 PolarHBondContact O-N 2.59Å; R405-R408 PolarHBondContact O-N 3.34Å; R405-G409 PolarHBondContact O-N 2.99Å
406V93.2Very high90.5Very high0 Ų072.1 Ų72.10%039%0.392CS..Hα-helixtrans-62.7-44.7179.9171.30000111.2I378 M382 F396 R402 I403 R408 G409 S410 V417I378-V406 HydrophobicContact CG2-CG1 3.62Å; I378-V406 WeakPolarHBondContact O-CG1 3.42Å; M382-V406 HydrophobicContact CE-CG1 4.21Å; M382-V406 HydrophobicContact CG-CG1 4.34Å; M382-V406 HydrophobicContact CG-CG2 3.93Å; F396-V406 HydrophobicContact CE1-CG2 3.92Å; F396-V406 HydrophobicContact CZ-CG2 4.39Å; R402-V406 WeakPolarHBondContact O-CG2 3.2Å; R402-V406 PolarHBondContact O-N 3.32Å; I403-V406 PolarHBondContact O-N 3.07Å; V406-R408 PolarHBondContact O-N 3.46Å; V406-G409 PolarHBondContact O-N 3.46Å; V406-S410 PolarHBondContact O-N 2.79Å; V406-S410 PolarHBondContact O-OG 3.2Å; V406-V417 HydrophobicContact CB-CG1 4.43Å; V406-V417 HydrophobicContact CG1-CG1 4.04Å; V406-V417 HydrophobicContact CG1-CG2 4.01Å
407A93.3Very high90.7Very high5 Ų572.1 Ų72.14%0.04139%0.392CS..Hα-helixtrans-59.9-45178.100000112I403 G411 V412 T414 V417I403-A407 VanDerWaalsContact O-CB 3.24Å; I403-A407 WeakPolarHBondContact O-CB 3.47Å; I403-A407 PolarHBondContact O-N 2.92Å; A407-G411 PolarHBondContact O-N 3.24Å; A407-V412 CarbonylContact C-O 3.59Å; A407-V412 PolarHBondContact O-N 2.85Å; A407-T414 HydrophobicContact CB-CG2 3.89Å; A407-V417 HydrophobicContact CB-CG2 3.9Å
408R92.9Very high91.1Very high211 Ų21172.6 Ų72.680%0.79638%0.384SS*.Hα-helixtrans-66.3-41.8175.7-72.5179.3-179.7178.91.1112.5Q404 R405 V406 G411Q404-R408 WeakPolarHBondContact O-CB 3.32Å; Q404-R408 WeakPolarHBondContact O-CG 3.3Å; Q404-R408 PolarHBondContact O-N 3.03Å; R405-R408 PolarHBondContact O-N 3.34Å; V406-R408 PolarHBondContact O-N 3.46Å; R408-G411 PolarHBondContact O-N 3.41Å
409G92.8Very high91.4Very high58 Ų5869.3 Ų69.360%0.59837%0.371SS*.Hα-helixtrans-65.2-36.5-18000000113.5R405 V406R405-G409 PolarHBondContact O-N 2.99Å; V406-G409 PolarHBondContact O-N 3.46Å
410S92Very high91.5Very high17 Ų1764.3 Ų64.312%0.11935%0.348CS..Hα-helixtrans-92-5.9179.252.60000114.1S381 V406 V412S381-S410 WeakPolarHBondContact OG-CB 3.4Å; S381-S410 PolarHBondContact OG-N 3.48Å; V406-S410 PolarHBondContact O-N 2.79Å; V406-S410 PolarHBondContact O-OG 3.2Å; S410-V412 VanDerWaalsContact C-N 3.34Å; S410-V412 WeakPolarHBondContact OG-CG2 3.41Å
411G92.8Very high91.8Very high72 Ų7261 Ų6174%0.74233%0.326SS*.THydrogen-bonded Turntrans69.927-178.500000114.2A407 R408A407-G411 PolarHBondContact O-N 3.24Å; R408-G411 PolarHBondContact O-N 3.41Å
412V92.9Very high91.7Very high27 Ų2762.1 Ų62.116%0.16432%0.323CS..  trans-115.8171.7-178.1-51.50000112K374 I378 A407 S410 D416 V417K374-V412 HydrophobicContact CD-CG1 4.42Å; K374-V412 HydrophobicContact CG-CG1 4.03Å; I378-V412 HydrophobicContact CD1-CG1 4.36Å; I378-V412 HydrophobicContact CD1-CG2 3.87Å; I378-V412 HydrophobicContact CG1-CG1 4.16Å; I378-V412 HydrophobicContact CG1-CG2 3.79Å; A407-V412 CarbonylContact C-O 3.59Å; A407-V412 PolarHBondContact O-N 2.85Å; S410-V412 VanDerWaalsContact C-N 3.34Å; S410-V412 WeakPolarHBondContact OG-CG2 3.41Å; V412-D416 HydrophobicContact CB-CB 4.06Å; V412-D416 HydrophobicContact CG2-CB 3.92Å; V412-V417 HydrophobicContact CG2-CG2 3.93Å
413S93.4Very high91.4Very high53 Ų5363.5 Ų63.537%0.37133%0.331SS..  trans-76.4154174.974.10000111.5R415 D416 V417S413-R415 PolarHBondContact O-N 3Å; S413-R415 VanDerWaalsContact O-N 3.14Å; S413-D416 WeakPolarHBondContact CB-OD2 3.5Å; S413-D416 PolarHBondContact N-OD2 3.43Å; S413-D416 WeakPolarHBondContact O-CB 3.44Å; S413-D416 PolarHBondContact O-N 3.4Å; S413-D416 PolarHBondContact OG-N 2.97Å; S413-D416 PolarHBondContact OG-OD2 3.43Å; S413-V417 PolarHBondContact O-N 2.85Å
414T92.3Very high91.3Very high63 Ų6362.8 Ų62.839%0.38733%0.327SS..Hα-helixtrans-59.9-24.4173.1510000112.8I403 Q404 A407 Q418I403-T414 HydrophobicContact CG2-CG2 4.29Å; Q404-T414 HydrophobicContact CG-CG2 4.37Å; A407-T414 HydrophobicContact CB-CG2 3.89Å; T414-Q418 WeakPolarHBondContact O-CG 3.37Å; T414-Q418 PolarHBondContact O-N 3.36Å; T414-Q418 VanDerWaalsContact O-N 3.15Å
415R92.2Very high91Very high196 Ų19659.8 Ų59.874%0.7432%0.316SS*.Hα-helixtrans-66.2-40.3174-65.3-177.8179.7172.80.3111.9S413 V417 Q418 E419S413-R415 PolarHBondContact O-N 3Å; S413-R415 VanDerWaalsContact O-N 3.14Å; R415-V417 VanDerWaalsContact C-N 3.31Å; R415-V417 PolarHBondContact O-N 3.31Å; R415-Q418 PolarHBondContact O-N 2.9Å; R415-E419 WeakPolarHBondContact O-CB 3.46Å; R415-E419 PolarHBondContact O-N 3.11Å
416D91.4Very high90.5Very high31 Ų3161.3 Ų61.317%0.16633%0.326CS..Hα-helixtrans-62.8-40.1178.5-62.6-59.3000111.4K374 I378 V412 S413 E419 L420K374-D416 VanDerWaalsContact CE-CG 3.49Å; K374-D416 WeakPolarHBondContact CE-OD2 3.34Å; K374-D416 IonicContact NZ-OD1 3.49Å; K374-D416 PolarHBondContact NZ-OD1 3.27Å; K374-D416 IonicContact NZ-OD2 3.65Å; K374-D416 PolarHBondContact NZ-OD2 2.95Å; I378-D416 HydrophobicContact CD1-CB 4.07Å; V412-D416 HydrophobicContact CB-CB 4.06Å; V412-D416 HydrophobicContact CG2-CB 3.92Å; S413-D416 WeakPolarHBondContact CB-OD2 3.5Å; S413-D416 PolarHBondContact N-OD2 3.43Å; S413-D416 WeakPolarHBondContact O-CB 3.44Å; S413-D416 PolarHBondContact O-N 3.4Å; S413-D416 PolarHBondContact OG-N 2.97Å; S413-D416 PolarHBondContact OG-OD2 3.43Å; D416-E419 PolarHBondContact O-N 2.85Å; D416-L420 PolarHBondContact O-N 3.13Å
417V91.3Very high90Very high0 Ų065.9 Ų65.90%035%0.346CS..Hα-helixtrans-66.5-41.1176.1-175.40000111I378 I403 V406 A407 V412 S413 R415 E419 L420 L421I378-V417 HydrophobicContact CG2-CB 4.47Å; I378-V417 HydrophobicContact CG2-CG1 4.31Å; I378-V417 HydrophobicContact CG2-CG2 4.01Å; I403-V417 HydrophobicContact CG2-CB 4.02Å; I403-V417 HydrophobicContact CG2-CG1 4.01Å; V406-V417 HydrophobicContact CB-CG1 4.43Å; V406-V417 HydrophobicContact CG1-CG1 4.04Å; V406-V417 HydrophobicContact CG1-CG2 4.01Å; A407-V417 HydrophobicContact CB-CG2 3.9Å; V412-V417 HydrophobicContact CG2-CG2 3.93Å; S413-V417 PolarHBondContact O-N 2.85Å; R415-V417 VanDerWaalsContact C-N 3.31Å; R415-V417 PolarHBondContact O-N 3.31Å; V417-E419 VanDerWaalsContact C-N 3.31Å; V417-E419 PolarHBondContact O-N 3.08Å; V417-L420 PolarHBondContact O-N 3.21Å; V417-L421 HydrophobicContact CG1-CD1 4.45Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.42Å
418Q90.5Very high89.4Confident104 Ų10466.8 Ų66.849%0.48635%0.353SS..Hα-helixtrans-64.7-36.2174.9-73.3175.5-15.700112.2I403 T414 R415 L421 T422I403-Q418 HydrophobicContact CD1-CG 4.32Å; T414-Q418 WeakPolarHBondContact O-CG 3.37Å; T414-Q418 PolarHBondContact O-N 3.36Å; T414-Q418 VanDerWaalsContact O-N 3.15Å; R415-Q418 PolarHBondContact O-N 2.9Å; Q418-L421 PolarHBondContact O-N 3.47Å; Q418-T422 WeakPolarHBondContact O-CB 3.33Å; Q418-T422 PolarHBondContact O-N 3.5Å; Q418-T422 PolarHBondContact O-OG1 2.9Å
419E89.9Confident88.8Confident102 Ų10262 Ų6248%0.47734%0.34SS..Hα-helixtrans-64.5-46.8175.5-167.3178.617100111.2R415 D416 V417 L421 T422 Q423R415-E419 WeakPolarHBondContact O-CB 3.46Å; R415-E419 PolarHBondContact O-N 3.11Å; D416-E419 PolarHBondContact O-N 2.85Å; V417-E419 VanDerWaalsContact C-N 3.31Å; V417-E419 PolarHBondContact O-N 3.08Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 3.29Å; E419-T422 WeakPolarHBondContact O-CB 3.43Å; E419-T422 PolarHBondContact O-N 3.44Å; E419-T422 VanDerWaalsContact O-N 3.16Å; E419-Q423 VanDerWaalsContact O-CG 3.31Å; E419-Q423 WeakPolarHBondContact O-CG 3.36Å; E419-Q423 PolarHBondContact O-N 3.46Å; E419-Q423 PolarHBondContact OE1-NE2 3.3Å
420L89.6Confident88.1Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-53.8-50.2172.8177.798000111.1L329 M332 L375 I378 M379 M382 D416 V417 T422 Q423 Y424L329-L420 HydrophobicContact CD2-CD2 4.46Å; M332-L420 HydrophobicContact CE-CD1 3.63Å; M332-L420 HydrophobicContact CE-CG 4.1Å; L375-L420 HydrophobicContact CB-CD1 3.68Å; L375-L420 HydrophobicContact CD1-CD1 4.49Å; L375-L420 HydrophobicContact CD2-CB 4.03Å; L375-L420 HydrophobicContact CD2-CD1 3.6Å; L375-L420 HydrophobicContact CD2-CG 4.44Å; L375-L420 HydrophobicContact CG-CD1 4.08Å; I378-L420 HydrophobicContact CG2-CD2 3.81Å; M379-L420 HydrophobicContact CE-CD1 4.31Å; M379-L420 HydrophobicContact CG-CD1 4.17Å; M379-L420 HydrophobicContact CG-CD2 3.97Å; M379-L420 HydrophobicContact SD-CD1 4.38Å; M382-L420 HydrophobicContact CE-CD2 3.5Å; D416-L420 PolarHBondContact O-N 3.13Å; V417-L420 PolarHBondContact O-N 3.21Å; L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.9Å; L420-Q423 PolarHBondContact O-N 3.34Å; L420-Y424 WeakPolarHBondContact O-CB 3.41Å; L420-Y424 PolarHBondContact O-N 2.95Å
421L89.6Confident87.4Confident14 Ų1464.8 Ų64.87%0.07334%0.338CS..Hα-helixtrans-63.9-35-179.4-67.2173.2000112.4L329 F396 I403 V417 Q418 E419 T425L329-L421 HydrophobicContact CD1-CD2 4.28Å; F396-L421 HydrophobicContact CB-CD1 3.56Å; F396-L421 HydrophobicContact CD1-CD1 4.32Å; F396-L421 HydrophobicContact CD2-CD1 3.98Å; F396-L421 HydrophobicContact CD2-CD2 3.55Å; F396-L421 HydrophobicContact CD2-CG 4.41Å; F396-L421 HydrophobicContact CE2-CD2 4Å; F396-L421 HydrophobicContact CG-CD1 3.69Å; F396-L421 HydrophobicContact CG-CD2 4.16Å; I403-L421 HydrophobicContact CD1-CD1 4.4Å; I403-L421 HydrophobicContact CG1-CD1 4.48Å; V417-L421 HydrophobicContact CG1-CD1 4.45Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.42Å; Q418-L421 PolarHBondContact O-N 3.47Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 3.29Å; L421-T425 WeakPolarHBondContact O-CB 3.25Å; L421-T425 PolarHBondContact O-N 3.5Å; L421-T425 PolarHBondContact O-OG1 2.81Å
422T88.3Confident86.5Confident71 Ų7168.6 Ų68.644%0.43633%0.334SS..Hα-helixtrans-66.8-44.2175-58.40000111.1Q418 E419 L420 T425 K426Q418-T422 WeakPolarHBondContact O-CB 3.33Å; Q418-T422 PolarHBondContact O-N 3.5Å; Q418-T422 PolarHBondContact O-OG1 2.9Å; E419-T422 WeakPolarHBondContact O-CB 3.43Å; E419-T422 PolarHBondContact O-N 3.44Å; E419-T422 VanDerWaalsContact O-N 3.16Å; L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.9Å; T422-T425 PolarHBondContact O-N 3.2Å; T422-K426 WeakPolarHBondContact O-CG 3.46Å; T422-K426 PolarHBondContact O-N 2.77Å
423Q85.2Confident85.7Confident73 Ų7374.8 Ų74.834%0.34136%0.359SS..Hα-helixtrans-63-47176.1-70.1175.65.800111E419 L420 T425 K426 F427E419-Q423 VanDerWaalsContact O-CG 3.31Å; E419-Q423 WeakPolarHBondContact O-CG 3.36Å; E419-Q423 PolarHBondContact O-N 3.46Å; E419-Q423 PolarHBondContact OE1-NE2 3.3Å; L420-Q423 PolarHBondContact O-N 3.34Å; Q423-T425 VanDerWaalsContact C-N 3.34Å; Q423-T425 PolarHBondContact O-N 2.82Å; Q423-K426 PolarHBondContact O-N 3.4Å; Q423-F427 WeakPolarHBondContact O-CB 3.15Å; Q423-F427 PolarHBondContact O-N 3.49Å
424Y87.4Confident84.5Confident6 Ų678.6 Ų78.62%0.02437%0.372CS..Hα-helixtrans-55.5-47.2173166.2-103.4000111.7F327 L329 M332 A393 L420 K426 F427 A428F327-Y424 HydrophobicContact CD1-CD2 4.1Å; F327-Y424 AromaticContact CD1-CE2 3.75Å; F327-Y424 HydrophobicContact CD1-CE2 3.75Å; F327-Y424 HydrophobicContact CE1-CD2 4.08Å; F327-Y424 HydrophobicContact CE1-CE2 4.14Å; F327-Y424 WeakPolarHBondContact O-CE2 3.5Å; F327-Y424 PolarHBondContact O-OH 3.32Å; L329-Y424 HydrophobicContact CD2-CD1 4.16Å; L329-Y424 HydrophobicContact CD2-CD2 3.59Å; L329-Y424 HydrophobicContact CD2-CE2 4.24Å; L329-Y424 HydrophobicContact CD2-CG 3.54Å; L329-Y424 HydrophobicContact CG-CD1 4.35Å; L329-Y424 HydrophobicContact CG-CD2 3.94Å; L329-Y424 HydrophobicContact CG-CE1 4.46Å; L329-Y424 HydrophobicContact CG-CE2 4.07Å; L329-Y424 HydrophobicContact CG-CG 4.09Å; M332-Y424 HydrophobicContact SD-CD2 4.33Å; A393-Y424 HydrophobicContact CB-CD1 4.32Å; A393-Y424 HydrophobicContact CB-CE1 4.36Å; L420-Y424 WeakPolarHBondContact O-CB 3.41Å; L420-Y424 PolarHBondContact O-N 2.95Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 2.89Å; Y424-F427 PolarHBondContact O-N 2.97Å; Y424-F427 VanDerWaalsContact O-N 3.16Å; Y424-A428 HydrophobicContact CE2-CB 4.37Å; Y424-A428 VanDerWaalsContact O-CB 3.31Å; Y424-A428 WeakPolarHBondContact O-CB 3.25Å; Y424-A428 PolarHBondContact O-N 3.48Å
425T85.9Confident83Confident46 Ų4676.6 Ų76.628%0.28236%0.364SS..Hα-helixtrans-61.9-42.2-179.7-56.60000111.7A393 L421 T422 Q423 F427 Q429A393-T425 WeakPolarHBondContact CB-OG1 3.4Å; L421-T425 WeakPolarHBondContact O-CB 3.25Å; L421-T425 PolarHBondContact O-N 3.5Å; L421-T425 PolarHBondContact O-OG1 2.81Å; T422-T425 PolarHBondContact O-N 3.2Å; Q423-T425 VanDerWaalsContact C-N 3.34Å; Q423-T425 PolarHBondContact O-N 2.82Å; T425-F427 VanDerWaalsContact C-N 3.34Å; T425-Q429 WeakPolarHBondContact O-CB 3.16Å; T425-Q429 VanDerWaalsContact O-CG 3.24Å; T425-Q429 WeakPolarHBondContact O-CG 3.2Å; T425-Q429 PolarHBondContact O-N 3.35Å
426K84.6Confident81.1Confident139 Ų13970.1 Ų70.160%0.60436%0.358SS*.Hα-helixtrans-62.6-42.6175.3-72.5175-179.7178.50111.3T422 Q423 Y424 Q429 M430T422-K426 WeakPolarHBondContact O-CG 3.46Å; T422-K426 PolarHBondContact O-N 2.77Å; Q423-K426 PolarHBondContact O-N 3.4Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 2.89Å; K426-Q429 PolarHBondContact O-N 2.89Å; K426-M430 PolarHBondContact O-N 3.42Å
427F81Confident79.2Confident96 Ų9672.1 Ų72.142%0.42137%0.368SS..Hα-helixtrans-69.4-45.7-179.5-156.8-95000111.9F327 Q423 Y424 T425 Q429 M430 V431F327-F427 HydrophobicContact CD1-CD1 4.01Å; F327-F427 HydrophobicContact CE1-CB 4.49Å; F327-F427 AromaticContact CE1-CD1 3.4Å; F327-F427 HydrophobicContact CE1-CD1 3.4Å; F327-F427 HydrophobicContact CE1-CE1 4.05Å; F327-F427 HydrophobicContact CE1-CG 4.34Å; F327-F427 AromaticContact CE2-CD1 4Å; F327-F427 HydrophobicContact CE2-CD1 4Å; F327-F427 AromaticContact CE2-CE1 3.81Å; F327-F427 HydrophobicContact CE2-CE1 3.81Å; F327-F427 AromaticContact CZ-CD1 3.38Å; F327-F427 HydrophobicContact CZ-CD1 3.38Å; F327-F427 AromaticContact CZ-CE1 3.52Å; F327-F427 HydrophobicContact CZ-CE1 3.52Å; Q423-F427 WeakPolarHBondContact O-CB 3.15Å; Q423-F427 PolarHBondContact O-N 3.49Å; Y424-F427 PolarHBondContact O-N 2.97Å; Y424-F427 VanDerWaalsContact O-N 3.16Å; T425-F427 VanDerWaalsContact C-N 3.34Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 3.2Å; F427-M430 WeakPolarHBondContact O-CB 3.39Å; F427-M430 PolarHBondContact O-N 3.48Å; F427-V431 HydrophobicContact CD1-CG2 3.9Å; F427-V431 HydrophobicContact CE1-CG2 3.85Å; F427-V431 WeakPolarHBondContact O-CG2 3.37Å; F427-V431 PolarHBondContact O-N 2.94Å
428A81.7Confident77Confident23 Ų2377.2 Ų77.219%0.1939%0.39CS..Hα-helixtrans-59.1-38.4174.300000112F327 Y424 K432F327-A428 HydrophobicContact CD1-CB 4.3Å; Y424-A428 HydrophobicContact CE2-CB 4.37Å; Y424-A428 VanDerWaalsContact O-CB 3.31Å; Y424-A428 WeakPolarHBondContact O-CB 3.25Å; Y424-A428 PolarHBondContact O-N 3.48Å; A428-K432 VanDerWaalsContact O-CB 3.25Å; A428-K432 WeakPolarHBondContact O-CB 3.36Å; A428-K432 PolarHBondContact O-N 3.25Å
429Q80.8Confident74.9Confident112 Ų11275.9 Ų75.952%0.52341%0.405SS..Hα-helixtrans-64.3-41.1173-77.3176.95.500112.6T425 K426 F427 K432 K433T425-Q429 WeakPolarHBondContact O-CB 3.16Å; T425-Q429 VanDerWaalsContact O-CG 3.24Å; T425-Q429 WeakPolarHBondContact O-CG 3.2Å; T425-Q429 PolarHBondContact O-N 3.35Å; K426-Q429 PolarHBondContact O-N 2.89Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 3.2Å; Q429-K432 PolarHBondContact O-N 2.7Å; Q429-K433 WeakPolarHBondContact O-CG 3.3Å; Q429-K433 PolarHBondContact O-N 2.88Å
430M78.4Confident72.7Confident120 Ų12076.2 Ų76.259%0.59141%0.409SS*.Hα-helixtrans-64.7-47.6176.1-173.1-176.3-6700111K426 F427 K432 K433 M434K426-M430 PolarHBondContact O-N 3.42Å; F427-M430 WeakPolarHBondContact O-CB 3.39Å; F427-M430 PolarHBondContact O-N 3.48Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.07Å; M430-K433 WeakPolarHBondContact O-CB 3.33Å; M430-K433 PolarHBondContact O-N 2.81Å; M430-M434 PolarHBondContact O-N 3.13Å
431V76.2Confident70.5Confident13 Ų1384.4 Ų84.48%0.07945%0.445CS..Hα-helixtrans-59.3-43.6175.6168.80000111.1L322 F327 F427 K433 M434 G435L322-V431 HydrophobicContact CD2-CB 4.32Å; L322-V431 HydrophobicContact CD2-CG1 3.36Å; L322-V431 HydrophobicContact CD2-CG2 3.98Å; F327-V431 HydrophobicContact CB-CB 4.29Å; F327-V431 HydrophobicContact CB-CG1 4Å; F327-V431 HydrophobicContact CB-CG2 4.48Å; F327-V431 HydrophobicContact CD2-CG2 4.15Å; F327-V431 HydrophobicContact CG-CG2 4.22Å; F427-V431 HydrophobicContact CD1-CG2 3.9Å; F427-V431 HydrophobicContact CE1-CG2 3.85Å; F427-V431 WeakPolarHBondContact O-CG2 3.37Å; F427-V431 PolarHBondContact O-N 2.94Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 2.84Å; V431-M434 CarbonylContact O-C 3.54Å; V431-M434 PolarHBondContact O-N 2.86Å; V431-M434 VanDerWaalsContact O-N 3.15Å; V431-G435 PolarHBondContact O-N 2.87Å
432K75Confident68.2Low151 Ų15192 Ų9266%0.65748%0.477SS*.Hα-helixtrans-63.8-38.4177.4-170.2172.6-176.1172.90112.2A428 Q429 M430 G436A428-K432 VanDerWaalsContact O-CB 3.25Å; A428-K432 WeakPolarHBondContact O-CB 3.36Å; A428-K432 PolarHBondContact O-N 3.25Å; Q429-K432 PolarHBondContact O-N 2.7Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.07Å; K432-G436 PolarHBondContact O-N 3.43Å
433K75.7Confident65.7Low158 Ų15892.5 Ų92.569%0.68750%0.496SS*.Hα-helixtrans-64.4-41.3172.4-75.2178.2179-177.90111.3Q429 M430 V431 G436 I437Q429-K433 WeakPolarHBondContact O-CG 3.3Å; Q429-K433 PolarHBondContact O-N 2.88Å; M430-K433 WeakPolarHBondContact O-CB 3.33Å; M430-K433 PolarHBondContact O-N 2.81Å; V431-K433 VanDerWaalsContact C-N 3.33Å; V431-K433 PolarHBondContact O-N 2.84Å; K433-G436 PolarHBondContact O-N 3.34Å; K433-I437 WeakPolarHBondContact O-CG1 3.15Å; K433-I437 PolarHBondContact O-N 3.26Å
434M67.9Low63.4Low133 Ų13392.6 Ų92.666%0.65552%0.517SS*.Hα-helixtrans-73.3-37.6-180-153.2168.490.300112.9M430 V431 G436 I437M430-M434 PolarHBondContact O-N 3.13Å; V431-M434 CarbonylContact O-C 3.54Å; V431-M434 PolarHBondContact O-N 2.86Å; V431-M434 VanDerWaalsContact O-N 3.15Å; M434-G436 VanDerWaalsContact C-N 3.32Å; M434-G436 PolarHBondContact O-N 2.86Å; M434-I437 WeakPolarHBondContact O-CB 3.36Å; M434-I437 PolarHBondContact O-N 3.14Å
435G61Low60.9Low21 Ų2198.6 Ų98.622%0.21655%0.55CS..Hα-helixtrans-68.2-30172.200000112.7V431 I437 K438V431-G435 PolarHBondContact O-N 2.87Å; G435-I437 VanDerWaalsContact C-N 3.28Å; G435-I437 PolarHBondContact O-N 3.36Å; G435-K438 WeakPolarHBondContact O-CB 3.33Å; G435-K438 PolarHBondContact O-N 3.14Å
436G52Low58.7Low59 Ų59102.9 Ų102.961%0.60857%0.568SS**Hα-helixtrans-69.9-20.9171.400000114.1K432 K433 M434 K438K432-G436 PolarHBondContact O-N 3.43Å; K433-G436 PolarHBondContact O-N 3.34Å; M434-G436 VanDerWaalsContact C-N 3.32Å; M434-G436 PolarHBondContact O-N 2.86Å; G436-K438 PolarHBondContact O-N 2.8Å; G436-K438 VanDerWaalsContact O-N 3.16Å
437I51.4Low56.8Low73 Ų73101.7 Ų101.737%0.37458%0.577SS.*G310 helixtrans-72.3-1.3177-73168.1000112.2K433 M434 G435 G439 L440 F441K433-I437 WeakPolarHBondContact O-CG1 3.15Å; K433-I437 PolarHBondContact O-N 3.26Å; M434-I437 WeakPolarHBondContact O-CB 3.36Å; M434-I437 PolarHBondContact O-N 3.14Å; G435-I437 VanDerWaalsContact C-N 3.28Å; G435-I437 PolarHBondContact O-N 3.36Å; I437-G439 PolarHBondContact O-N 2.85Å; I437-L440 HydrophobicContact CG2-CB 4.3Å; I437-L440 WeakPolarHBondContact O-CA 3.16Å; I437-L440 PolarHBondContact O-N 3.46Å; I437-F441 HydrophobicContact CG2-CD2 3.22Å; I437-F441 HydrophobicContact CG2-CE2 3.53Å; I437-F441 HydrophobicContact CG2-CG 4.33Å; I437-F441 PolarHBondContact O-N 3.43Å
438K45.6Very low55.1Low107 Ų107105 Ų10547%0.46559%0.591SS.*G310 helixtrans-58.9-15.9172.8-149.3177.6-168.5178.80114.2K323 G435 G436K323-K438 PolarHBondContact O-NZ 3.06Å; K323-K438 VanDerWaalsContact O-NZ 3.13Å; G435-K438 WeakPolarHBondContact O-CB 3.33Å; G435-K438 PolarHBondContact O-N 3.14Å; G436-K438 PolarHBondContact O-N 2.8Å; G436-K438 VanDerWaalsContact O-N 3.16Å
439G46.8Very low53.3Low77 Ų77111.3 Ų111.379%0.79462%0.622SS**G310 helixtrans-75.9-18.2168.100000114.8I437I437-G439 PolarHBondContact O-N 2.85Å
440L42.8Very low51.9Low109 Ų109110.4 Ų110.457%0.57162%0.624SS**THydrogen-bonded Turntrans-110.6-14.8-175.3-94.8145.2000113.7I437 M446I437-L440 HydrophobicContact CG2-CB 4.3Å; I437-L440 WeakPolarHBondContact O-CA 3.16Å; I437-L440 PolarHBondContact O-N 3.46Å; L440-M446 HydrophobicContact CD2-CE 4.47Å; L440-M446 WeakPolarHBondContact O-CE 3.28Å
441F43.5Very low50.8Low171 Ų171107.1 Ų107.175%0.7561%0.613SS**SBendtrans-1199.7-179.6-78.5-98.4000114.2I437 G443I437-F441 HydrophobicContact CG2-CD2 3.22Å; I437-F441 HydrophobicContact CG2-CE2 3.53Å; I437-F441 HydrophobicContact CG2-CG 4.33Å; I437-F441 PolarHBondContact O-N 3.43Å; F441-G443 PolarHBondContact O-N 3.05Å
442K40.8Very low50Low174 Ų174115 Ų11576%0.75765%0.649SS**  trans-69.891.1161.4-124.1-173.7179.8-174.10107.6G444K442-G444 PolarHBondContact O-N 2.96Å
443G36.9Very low49.8Very low81 Ų81111.6 Ų111.684%0.83564%0.644SS**THydrogen-bonded Turntrans-49.5125.4168.400000109.5F441F441-G443 PolarHBondContact O-N 3.05Å
444G36.1Very low49.3Very low76 Ų76109.8 Ų109.878%0.78464%0.638SS**THydrogen-bonded Turntrans155.6-37.1175.400000115K442K442-G444 PolarHBondContact O-N 2.96Å
445D35.5Very low48.9Very low131 Ų131107.7 Ų107.770%0.70163%0.628SS**  trans-143.325.7-163.6-122.1-21000116.5S447D445-S447 PolarHBondContact O-N 2.9Å
446M38.3Very low49.4Very low136 Ų136109.2 Ų109.267%0.6764%0.639SS**THydrogen-bonded Turntrans-8210.6178.1-137.6-171.9-67.400114.2L440L440-M446 HydrophobicContact CD2-CE 4.47Å; L440-M446 WeakPolarHBondContact O-CE 3.28Å
447S44.8Very low50.4Low114 Ų114113.6 Ų113.680%0.79764%0.641SS**THydrogen-bonded Turntrans-101.8-2.8-178.6-172.30000114.4D445D445-S447 PolarHBondContact O-N 2.9Å
448K45.2Very low51.1Low165 Ų165114.7 Ų114.772%0.71765%0.647SS**SBendtrans-124.4-14.6-167.1-82.8-170.9176.3177.80120.2
449N44.1Very low52.1Low157 Ų157111.1 Ų111.184%0.8463%0.633SS**  trans-155.341.8-176.4-87.3-37.8000116.5S451N449-S451 PolarHBondContact O-N 2.92Å
450V51.5Low53.3Low93 Ų93113.8 Ų113.856%0.56463%0.625SS**  trans-75.497.5166.9-1760000108.7M455V450-M455 HydrophobicContact CG1-CG 3.82Å
451S55.1Low54.6Low50 Ų50114.4 Ų114.435%0.3562%0.624SS.*  trans-58.5138.2174.765.60000110.9N449 S453 Q454 M455N449-S451 PolarHBondContact O-N 2.92Å; S451-S453 PolarHBondContact O-N 3.22Å; S451-S453 PolarHBondContact OG-OG 3.14Å; S451-Q454 PolarHBondContact O-N 3.38Å; S451-Q454 PolarHBondContact OG-OE1 3.01Å; S451-M455 PolarHBondContact O-N 2.91Å
452Q59.8Low55.4Low179 Ų179109.7 Ų109.784%0.83661%0.606SS**Hα-helixtrans-55.7-26-179-158.2175.48.500112.6A456Q452-A456 PolarHBondContact O-N 2.99Å
453S71.5Confident56.6Low79 Ų79103.2 Ų103.255%0.55258%0.584SS**Hα-helixtrans-73.4-31.1177.666.30000113.8S451 K457S451-S453 PolarHBondContact O-N 3.22Å; S451-S453 PolarHBondContact OG-OG 3.14Å; S453-K457 PolarHBondContact O-N 2.94Å
454Q63.8Low58.2Low121 Ų121107.9 Ų107.957%0.56558%0.582SS**Hα-helixtrans-75.5-37.5176.5-79173.5-35.300111.8S451 A456 K457 L458S451-Q454 PolarHBondContact O-N 3.38Å; S451-Q454 PolarHBondContact OG-OE1 3.01Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; Q454-A456 PolarHBondContact O-N 2.93Å; Q454-K457 PolarHBondContact O-N 3.35Å; Q454-L458 PolarHBondContact O-N 3.36Å
455M59.9Low59.7Low88 Ų88111.6 Ų111.643%0.43358%0.581SS.*Hα-helixtrans-61.9-39.5170.9-93.8-83.4-87.900112V450 S451 L458 N459V450-M455 HydrophobicContact CG1-CG 3.82Å; S451-M455 PolarHBondContact O-N 2.91Å; M455-L458 PolarHBondContact O-N 3.28Å; M455-N459 WeakPolarHBondContact O-CB 3.45Å; M455-N459 PolarHBondContact O-N 2.89Å
456A72.5Confident61Low54 Ų54107.6 Ų107.645%0.44656%0.558SS.*Hα-helixtrans-64.4-40.6176.100000112.6Q452 Q454 Q460Q452-A456 PolarHBondContact O-N 2.99Å; Q454-A456 VanDerWaalsContact C-N 3.33Å; Q454-A456 PolarHBondContact O-N 2.93Å; A456-Q460 PolarHBondContact O-N 2.82Å
457K72.1Confident62.4Low151 Ų151105.1 Ų105.166%0.65755%0.548SS*.Hα-helixtrans-66.8-39.4175.3-81.3-176.2177.2178.70112.7S453 Q454 Q460 Q461S453-K457 PolarHBondContact O-N 2.94Å; Q454-K457 PolarHBondContact O-N 3.35Å; K457-Q460 PolarHBondContact O-N 3.26Å; K457-Q461 PolarHBondContact O-N 3.35Å
458L66.5Low63.3Low95 Ų95104.8 Ų104.850%0.49754%0.543SS..Hα-helixtrans-65-43.8177.4-154.994.6000111.3Q454 M455 Q460 Q461 M462Q454-L458 PolarHBondContact O-N 3.36Å; M455-L458 PolarHBondContact O-N 3.28Å; L458-Q460 PolarHBondContact O-N 3.29Å; L458-Q461 PolarHBondContact O-N 2.94Å; L458-M462 PolarHBondContact O-N 2.99Å
459N66.8Low64.6Low33 Ų33106.3 Ų106.318%0.17654%0.544CS..Hα-helixtrans-62.7-40.2174.9-86.9-2.8000112.4M455 M462 A463 M477M455-N459 WeakPolarHBondContact O-CB 3.45Å; M455-N459 PolarHBondContact O-N 2.89Å; N459-M462 PolarHBondContact O-N 3.35Å; N459-A463 WeakPolarHBondContact O-CB 3.33Å; N459-A463 PolarHBondContact O-N 2.92Å; N459-M477 HydrophobicContact CB-CE 4.33Å
460Q71.3Confident65.7Low132 Ų132102 Ų10262%0.61752%0.524SS*.Hα-helixtrans-66.4-35.2175.2-87.5-173.2-11.200113.1A456 K457 L458 K464A456-Q460 PolarHBondContact O-N 2.82Å; K457-Q460 PolarHBondContact O-N 3.26Å; L458-Q460 PolarHBondContact O-N 3.29Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 2.82Å
461Q70.9Confident66.2Low122 Ų12299.7 Ų99.757%0.5751%0.507SS*.Hα-helixtrans-73.1-39.1175.8-84.9-175.4-22.700112.5K457 L458 K464 M465K457-Q461 PolarHBondContact O-N 3.35Å; L458-Q461 PolarHBondContact O-N 2.94Å; Q461-K464 PolarHBondContact O-N 2.79Å; Q461-M465 HydrophobicContact CB-CE 4.31Å; Q461-M465 PolarHBondContact O-N 2.91Å
462M60.2Low66.9Low73 Ų73105.2 Ų105.236%0.3653%0.528SS..Hα-helixtrans-64.4-43.3174.1-82-172.868.800111.9L458 N459 K464 M465 M466 M484L458-M462 PolarHBondContact O-N 2.99Å; N459-M462 PolarHBondContact O-N 3.35Å; M462-K464 PolarHBondContact O-N 2.94Å; M462-M465 PolarHBondContact O-N 3.03Å; M462-M465 VanDerWaalsContact O-N 3.07Å; M462-M466 WeakPolarHBondContact O-CG 3.47Å; M462-M466 PolarHBondContact O-N 3.49Å; M462-M466 VanDerWaalsContact O-N 3.1Å; M462-M484 HydrophobicContact CE-CE 4.43Å; M462-M484 HydrophobicContact SD-CE 3.99Å
463A65.8Low67.3Low37 Ų37105.1 Ų105.131%0.30653%0.527SS..Hα-helixtrans-62.4-27.317700000113.1N459 M477N459-A463 WeakPolarHBondContact O-CB 3.33Å; N459-A463 PolarHBondContact O-N 2.92Å; A463-M477 HydrophobicContact CB-SD 4.27Å
464K71.4Confident66.7Low180 Ų180104.3 Ų104.378%0.78352%0.515SS*.Hα-helixtrans-83.2-17.1175.6-74.1-179.7180-175.20114.2Q460 Q461 M462Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 2.82Å; Q461-K464 PolarHBondContact O-N 2.79Å; M462-K464 PolarHBondContact O-N 2.94Å
465M66.2Low67.3Low153 Ų153101 Ų10175%0.75451%0.514SS*.Hα-helixtrans-99-12.7178.1-76-169.7-113.700113.5Q461 M462Q461-M465 HydrophobicContact CB-CE 4.31Å; Q461-M465 PolarHBondContact O-N 2.91Å; M462-M465 PolarHBondContact O-N 3.03Å; M462-M465 VanDerWaalsContact O-N 3.07Å
466M62.9Low68.1Low48 Ų4898 Ų9824%0.23650%0.504CS..SBendtrans-88.9129.7175.8-68.4-176.586.500110.5M462 V470 L471 M474 L480M462-M466 WeakPolarHBondContact O-CG 3.47Å; M462-M466 PolarHBondContact O-N 3.49Å; M462-M466 VanDerWaalsContact O-N 3.1Å; M466-V470 HydrophobicContact CE-CG1 3.86Å; M466-L471 HydrophobicContact CB-CD1 3.92Å; M466-L471 HydrophobicContact SD-CD1 4.36Å; M466-M474 HydrophobicContact CE-SD 3.73Å; M466-L480 HydrophobicContact SD-CD1 4.25Å
467D68.3Low67.9Low84 Ų8499.3 Ų99.345%0.44950%0.503SS..  trans-54.2131.5173.1-172.8-46.9000109.6R469 V470 L471D467-R469 PolarHBondContact O-N 3.37Å; D467-R469 WeakPolarHBondContact OD1-CB 3.47Å; D467-R469 WeakPolarHBondContact OD1-CG 3.45Å; D467-R469 PolarHBondContact OD1-N 2.96Å; D467-V470 HydrophobicContact CB-CG2 4.05Å; D467-V470 WeakPolarHBondContact O-CB 3.36Å; D467-V470 PolarHBondContact O-N 3.24Å; D467-L471 PolarHBondContact O-N 3.44Å
468P63.7Low68.1Low106 Ų10695.6 Ų95.669%0.68850%0.5SS*.Hα-helixtrans-50.4-29.1179.1-27.633.8000114.1H472P468-H472 PolarHBondContact O-N 3Å
469R71.8Confident68.5Low198 Ų19891.9 Ų91.975%0.74749%0.485SS*.Hα-helixtrans-72-35.7178.2-61.2177.8-175.7-179.12.3112.6D467 H472 H473D467-R469 PolarHBondContact O-N 3.37Å; D467-R469 WeakPolarHBondContact OD1-CB 3.47Å; D467-R469 WeakPolarHBondContact OD1-CG 3.45Å; D467-R469 PolarHBondContact OD1-N 2.96Å; R469-H472 PolarHBondContact O-N 3.04Å; R469-H473 PolarHBondContact O-CD2 2.98Å; R469-H473 PolarHBondContact O-N 3.37Å; R469-H473 VanDerWaalsContact O-N 3.17Å
470V67.8Low68.7Low67 Ų6791.1 Ų91.141%0.40648%0.481SS..Hα-helixtrans-72-38.3177.3179.20000110.2M466 D467 H472 H473 M474M466-V470 HydrophobicContact CE-CG1 3.86Å; D467-V470 HydrophobicContact CB-CG2 4.05Å; D467-V470 WeakPolarHBondContact O-CB 3.36Å; D467-V470 PolarHBondContact O-N 3.24Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 2.78Å; V470-H473 PolarHBondContact O-N 2.97Å; V470-M474 HydrophobicContact CG1-SD 4.14Å; V470-M474 WeakPolarHBondContact O-CB 3.3Å; V470-M474 WeakPolarHBondContact O-CG 3.43Å; V470-M474 PolarHBondContact O-N 2.96Å
471L62.6Low68.9Low43 Ų4390.6 Ų90.623%0.22548%0.478CS..Hα-helixtrans-65.4-33.3177.1-140.6114.8000112.2M466 D467 G476M466-L471 HydrophobicContact CB-CD1 3.92Å; M466-L471 HydrophobicContact SD-CD1 4.36Å; D467-L471 PolarHBondContact O-N 3.44Å; L471-G476 VanDerWaalsContact O-CA 3.32Å; L471-G476 WeakPolarHBondContact O-CA 3.28Å; L471-G476 PolarHBondContact O-N 3.28Å
472H69.5Low69.2Low167 Ų16788.1 Ų88.177%0.77348%0.475SS*.Hα-helixtrans-71.9-40.5175.1-137.959.1000112.1P468 R469 V470 M474 G475P468-H472 PolarHBondContact O-N 3Å; R469-H472 PolarHBondContact O-N 3.04Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 2.78Å; H472-M474 VanDerWaalsContact C-N 3.28Å; H472-M474 PolarHBondContact O-N 2.78Å; H472-G475 PolarHBondContact O-N 3.2Å
473H67.6Low69.8Low177 Ų17789.4 Ų89.482%0.81948%0.481SS*.Hα-helixtrans-68.4-24174.9-91.4-65.6000114R469 V470R469-H473 PolarHBondContact O-CD2 2.98Å; R469-H473 PolarHBondContact O-N 3.37Å; R469-H473 VanDerWaalsContact O-N 3.17Å; V470-H473 PolarHBondContact O-N 2.97Å
474M60Low69.9Low61 Ų6190.8 Ų90.830%0.348%0.482SS..THydrogen-bonded Turntrans-92.612.2178-74.2-175.268.400114.4M466 V470 H472 G479 L480 M483M466-M474 HydrophobicContact CE-SD 3.73Å; V470-M474 HydrophobicContact CG1-SD 4.14Å; V470-M474 WeakPolarHBondContact O-CB 3.3Å; V470-M474 WeakPolarHBondContact O-CG 3.43Å; V470-M474 PolarHBondContact O-N 2.96Å; H472-M474 VanDerWaalsContact C-N 3.28Å; H472-M474 PolarHBondContact O-N 2.78Å; M474-G479 VanDerWaalsContact O-CA 3.27Å; M474-G479 WeakPolarHBondContact O-CA 3.43Å; M474-L480 HydrophobicContact CE-CD1 3.97Å; M474-M483 HydrophobicContact CE-SD 3.49Å; M474-M483 WeakPolarHBondContact CE-SD 3.44Å
475G74.7Confident70.1Confident53 Ų5390.5 Ų90.555%0.54648%0.476SS..THydrogen-bonded Turntrans74.327.8178.300000114.1H472 G479H472-G475 PolarHBondContact O-N 3.2Å; G475-G479 PolarHBondContact O-N 3.39Å
476G77.1Confident70.5Confident23 Ų2390.2 Ų90.224%0.23747%0.473CS..Hα-helixtrans64.7-160.2179.900000113.5L471 A478 G479 L480L471-G476 VanDerWaalsContact O-CA 3.32Å; L471-G476 WeakPolarHBondContact O-CA 3.28Å; L471-G476 PolarHBondContact O-N 3.28Å; G476-A478 PolarHBondContact O-N 2.76Å; G476-G479 PolarHBondContact O-N 3Å; G476-L480 PolarHBondContact O-N 2.9Å
477M69.4Low70.7Confident83 Ų8395.5 Ų95.541%0.40949%0.494SS..Hα-helixtrans-59.8-29.2179.4-79.1-64.4-70.500113.2N459 A463 L480 Q481N459-M477 HydrophobicContact CB-CE 4.33Å; A463-M477 HydrophobicContact CB-SD 4.27Å; M477-L480 HydrophobicContact SD-CD2 4.47Å; M477-Q481 WeakPolarHBondContact O-CB 3.27Å; M477-Q481 PolarHBondContact O-N 3.24Å; M477-Q481 VanDerWaalsContact O-N 3.16Å
478A75.2Confident70.6Confident72 Ų7298.7 Ų98.760%0.59551%0.507SS*.Hα-helixtrans-67.3-42178.400000112.2G476 Q481 S482G476-A478 PolarHBondContact O-N 2.76Å; A478-Q481 WeakPolarHBondContact O-CB 3.32Å; A478-Q481 PolarHBondContact O-N 3.33Å; A478-S482 PolarHBondContact O-N 2.91Å
479G75.5Confident70.7Confident18 Ų18100.7 Ų100.719%0.18651%0.507CS..Hα-helixtrans-73.4-29.8178.500000113.8M474 G475 G476 Q481 S482 M483M474-G479 VanDerWaalsContact O-CA 3.27Å; M474-G479 WeakPolarHBondContact O-CA 3.43Å; G475-G479 PolarHBondContact O-N 3.39Å; G476-G479 PolarHBondContact O-N 3Å; G479-Q481 VanDerWaalsContact C-N 3.3Å; G479-Q481 PolarHBondContact O-N 2.72Å; G479-S482 WeakPolarHBondContact CA-OG 3.42Å; G479-S482 PolarHBondContact O-OG 2.96Å; G479-M483 WeakPolarHBondContact O-CB 3.22Å; G479-M483 PolarHBondContact O-N 3.47Å; G479-M483 VanDerWaalsContact O-N 3.09Å
480L71.8Confident69.8Low17 Ų1793.6 Ų93.69%0.08950%0.496CS..Hα-helixtrans-63.9-38.8168.6-166.877.1000111.3M466 M474 G476 M477 M483 M484M466-L480 HydrophobicContact SD-CD1 4.25Å; M474-L480 HydrophobicContact CE-CD1 3.97Å; G476-L480 PolarHBondContact O-N 2.9Å; M477-L480 HydrophobicContact SD-CD2 4.47Å; L480-M483 PolarHBondContact O-N 2.92Å; L480-M484 PolarHBondContact O-N 3.14Å
481Q74.4Confident69Low120 Ų12093.2 Ų93.256%0.56150%0.499SS*.Hα-helixtrans-71.8-35.3-178.2-149.6171.5600112.6M477 A478 G479 R485M477-Q481 WeakPolarHBondContact O-CB 3.27Å; M477-Q481 PolarHBondContact O-N 3.24Å; M477-Q481 VanDerWaalsContact O-N 3.16Å; A478-Q481 WeakPolarHBondContact O-CB 3.32Å; A478-Q481 PolarHBondContact O-N 3.33Å; G479-Q481 VanDerWaalsContact C-N 3.3Å; G479-Q481 PolarHBondContact O-N 2.72Å; Q481-R485 PolarHBondContact O-N 3.46Å
482S76.7Confident68.4Low71 Ų7194.2 Ų94.250%0.49751%0.514SS..Hα-helixtrans-69.1-40.9172.261.70000111.7A478 G479 M484 R485 Q486A478-S482 PolarHBondContact O-N 2.91Å; G479-S482 WeakPolarHBondContact CA-OG 3.42Å; G479-S482 PolarHBondContact O-OG 2.96Å; S482-M484 PolarHBondContact O-N 3.42Å; S482-R485 PolarHBondContact O-N 3.5Å; S482-Q486 PolarHBondContact O-N 3.04Å
483M72.9Confident67.4Low99 Ų9988.7 Ų88.749%0.48850%0.502SS..Hα-helixtrans-62.2-43.2176.4-164.9-174.4-16100111.8M474 G479 L480 R485 Q486 F487M474-M483 HydrophobicContact CE-SD 3.49Å; M474-M483 WeakPolarHBondContact CE-SD 3.44Å; G479-M483 WeakPolarHBondContact O-CB 3.22Å; G479-M483 PolarHBondContact O-N 3.47Å; G479-M483 VanDerWaalsContact O-N 3.09Å; L480-M483 PolarHBondContact O-N 2.92Å; M483-R485 PolarHBondContact O-N 2.87Å; M483-Q486 PolarHBondContact O-N 3.31Å; M483-F487 PolarHBondContact O-N 3.35Å
484M69.3Low66.3Low67 Ų6787 Ų8733%0.3350%0.499SS..Hα-helixtrans-62.4-42175-81.6-158.7-173.400112.3M462 L480 S482 Q486 F487 Q488M462-M484 HydrophobicContact CE-CE 4.43Å; M462-M484 HydrophobicContact SD-CE 3.99Å; L480-M484 PolarHBondContact O-N 3.14Å; S482-M484 PolarHBondContact O-N 3.42Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.06Å; M484-F487 PolarHBondContact O-N 3.38Å; M484-Q488 WeakPolarHBondContact O-CB 3.32Å; M484-Q488 PolarHBondContact O-N 3.45Å
485R75.6Confident65.5Low173 Ų17390.8 Ų90.865%0.65352%0.518SS*.Hα-helixtrans-60.4-41.5175.4-84-177.1171.3172.2-1.5112Q481 S482 M483 Q488 Q489Q481-R485 PolarHBondContact O-N 3.46Å; S482-R485 PolarHBondContact O-N 3.5Å; M483-R485 PolarHBondContact O-N 2.87Å; R485-Q488 PolarHBondContact O-N 3.44Å; R485-Q489 WeakPolarHBondContact O-CG 3.27Å; R485-Q489 PolarHBondContact O-N 3.29Å
486Q73Confident64Low148 Ų14897.1 Ų97.169%0.69253%0.53SS*.Hα-helixtrans-67.2-39.6178.8-168.6175-1.400111.9S482 M483 M484 Q488 Q489 G490S482-Q486 PolarHBondContact O-N 3.04Å; M483-Q486 PolarHBondContact O-N 3.31Å; M484-Q486 VanDerWaalsContact C-N 3.31Å; M484-Q486 PolarHBondContact O-N 3.06Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q489 PolarHBondContact O-N 3.32Å; Q486-G490 PolarHBondContact O-N 3.37Å
487F67.2Low62.4Low158 Ų15899.3 Ų99.369%0.69355%0.552SS**Hα-helixtrans-64.3-39.9174.8-123.4-87.6000112.1M483 M484 A491M483-F487 PolarHBondContact O-N 3.35Å; M484-F487 PolarHBondContact O-N 3.38Å; F487-A491 WeakPolarHBondContact O-CB 3.5Å; F487-A491 PolarHBondContact O-N 2.94Å; F487-A491 VanDerWaalsContact O-N 3.15Å
488Q66.4Low61.1Low151 Ų151103.7 Ų103.771%0.70657%0.574SS**Hα-helixtrans-69.7-35.5179.7-145.6173.920.400112.2M484 R485 Q486 A492M484-Q488 WeakPolarHBondContact O-CB 3.32Å; M484-Q488 PolarHBondContact O-N 3.45Å; R485-Q488 PolarHBondContact O-N 3.44Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q488-A492 PolarHBondContact O-N 2.95Å
489Q65.9Low59.8Low149 Ų149108.6 Ų108.670%0.69659%0.587SS**Hα-helixtrans-75.3-37.8175.8-72.8179.75.300112.7R485 Q486 A492 G493R485-Q489 WeakPolarHBondContact O-CG 3.27Å; R485-Q489 PolarHBondContact O-N 3.29Å; Q486-Q489 PolarHBondContact O-N 3.32Å; Q489-A492 PolarHBondContact O-N 3.1Å; Q489-G493 PolarHBondContact O-N 3.28Å
490G53.9Low58.3Low49 Ų49110.6 Ų110.651%0.50561%0.607SS.*Hα-helixtrans-66.5-35.2177.400000113.7Q486Q486-G490 PolarHBondContact O-N 3.37Å
491A50.4Low57Low58 Ų58119.6 Ų119.648%0.47965%0.646SS.*Hα-helixtrans-74.2-28.6176.900000113.4F487F487-A491 WeakPolarHBondContact O-CB 3.5Å; F487-A491 PolarHBondContact O-N 2.94Å; F487-A491 VanDerWaalsContact O-N 3.15Å
492A50.8Low55.2Low65 Ų65121.4 Ų121.454%0.53766%0.66SS.*Hα-helixtrans-79.1-30.6178.100000113.2Q488 Q489Q488-A492 PolarHBondContact O-N 2.95Å; Q489-A492 PolarHBondContact O-N 3.1Å
493G47.5Very low53.2Low51 Ų51125.9 Ų125.953%0.52668%0.678SS.*Hα-helixtrans-68.9-37.8179.100000113.9Q489Q489-G493 PolarHBondContact O-N 3.28Å
494N45.6Very low51.4Low142 Ų142134.1 Ų134.176%0.75972%0.719SS**Hα-helixtrans-79.2-15.2-179.7-99.68.2000114.3
495M43.2Very low50.6Low140 Ų140137.5 Ų137.569%0.6974%0.738SS**Hα-helixtrans-88.5-19-179.7-140.9179.4-74.100112.8
496K42.3Very low49.2Very low186 Ų186135.6 Ų135.681%0.80974%0.743SS**Hα-helixtrans-84.8-22.8179.5-137.8180-176.1-175.60113.5
497G43.1Very low47.9Very low68 Ų68134.9 Ų134.970%0.70175%0.746SS**SBendtrans-80.8-14.3176.500000114.8
498M43.4Very low46.8Very low176 Ų176133.6 Ų133.687%0.86775%0.749SS**SBendtrans-102.6-4.3-174.1-125.4177.4176.700114.2
499M46.3Very low45.6Very low174 Ų174132.5 Ų132.586%0.85775%0.751SS**SBendtrans-106.212.8-178.5-80.2-90.9-154.300113.4
500G44Very low44.2Very low60 Ų60131.4 Ų131.462%0.61976%0.755SS**  trans-106.32.7-168.100000117.7
501F44.2Very low43.5Very low206 Ų206137.3 Ų137.390%0.90477%0.773SS**  trans-128.873.1-177.6-88.3-87.8000111.2
502N36.9Very low43Very low158 Ų158143.4 Ų143.485%0.84580%0.795SS**  trans-163.183.7157.6-122.49.8000108.7
503N34.5Very low42.3Very low166 Ų166149.9 Ų149.989%0.88882%0.817SS**  trans174.182.9156.6-94.5-8.7000109.3
504M36.9Very low41.9Very low272 Ų272158.9 Ų158.9100%1.3484%0.843SS**  trans-174.80143-102.2-178.1-146.400109.3

Retrieved 504 of 504 residues in 417.8 ms (Link to these results)

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