A0A060XWJ1_ONCMY Loading...

Actin, alpha, cardiac muscle 2

AlphaFold DB (Q6IQL9), UniProt , Accession A0A060XWJ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522536, Length 377 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
1M34.9Very low68.9Low235 Ų235103.1 Ų103.1100%1.15856%0.56SS**  0132.10-80.8158.5165.800104.6D3M1-D3 PolarHBondContact O-N 2.76Å
2C38.4Very low71.3Confident121 Ų12194.5 Ų94.582%0.81851%0.513SS*.  trans-50.9129.8170.6-58.20000106.5D4C2-D4 PolarHBondContact O-N 3.49Å
3D44.8Very low73.4Confident154 Ų15487.5 Ų87.582%0.82448%0.475SS*.  trans-49.1114.5170.4-66.8-41.7000105.4M1 D5M1-D3 PolarHBondContact O-N 2.76Å; D3-D5 PolarHBondContact O-N 3.04Å
4D47.7Very low75Confident150 Ų15082 Ų8280%0.80245%0.445SS*.  trans-50.2120.3168.9-73.8-41000104.5C2 E6C2-D4 PolarHBondContact O-N 3.49Å; D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 3.19Å
5D51.8Low76.5Confident156 Ų15677.5 Ų77.583%0.83443%0.425SS*.  trans-47.394-176.1-73.1-50.5000109D3 T7D3-D5 PolarHBondContact O-N 3.04Å; D5-T7 PolarHBondContact O-N 2.9Å
6E65.5Low77.7Confident168 Ų16873.1 Ų73.179%0.78540%0.402SS*.  trans-65.4101.9-179.4-87.4-170.5164.700105.9D4 T8D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 3.19Å; E6-T8 PolarHBondContact O-N 2.92Å; E6-T8 VanDerWaalsContact O-N 3.16Å
7T84.6Confident78.8Confident74 Ų7469.8 Ų69.845%0.45439%0.389SS..PPolyproline II helixtrans-63.8122.9-177.2500000108.9D5 A9 E102D5-T7 PolarHBondContact O-N 2.9Å; T7-A9 PolarHBondContact O-N 3.33Å; T7-E102 WeakPolarHBondContact CB-O 3.42Å; T7-E102 WeakPolarHBondContact CG2-O 3.35Å; T7-E102 PolarHBondContact OG1-O 3.3Å
8T94.9Very high79.9Confident68 Ų6870.1 Ų70.142%0.41739%0.389SS..PPolyproline II helixtrans-64.9128.3-174.2-49.10000110E6 F23 A24 H103E6-T8 PolarHBondContact O-N 2.92Å; E6-T8 VanDerWaalsContact O-N 3.16Å; T8-F23 HydrophobicContact CG2-CB 3.91Å; T8-F23 HydrophobicContact CG2-CD1 4.23Å; T8-A24 WeakPolarHBondContact CG2-O 3.46Å; T8-H103 PolarHBondContact O-ND1 2.83Å
9A97.8Very high80.9Confident8 Ų866.4 Ų66.47%0.06637%0.368CS..PPolyproline II helixtrans-65.5148.3178.700000111.8T7 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 3.33Å; A9-A24 HydrophobicContact CB-CB 4.11Å; A9-A24 WeakPolarHBondContact O-CB 3.21Å; A9-A24 PolarHBondContact O-N 2.73Å; A9-P104 CarbonylContact C-O 3.55Å; A9-P104 WeakPolarHBondContact CA-O 3.45Å; A9-P104 HydrophobicContact CB-CB 4.08Å; A9-A349 HydrophobicContact CB-CB 4.16Å; A9-W358 HydrophobicContact CB-CH2 3.95Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å
10L98.4Very high81.7Confident0 Ų064.2 Ų64.20%036%0.355CS..EExtended strand (participates in β ladder)trans-93.6145.5170.9-61177.1000110.3G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 3.36Å; L10-F23 HydrophobicContact CD2-CD1 3.55Å; L10-F23 HydrophobicContact CD2-CE1 3.54Å; L10-F23 HydrophobicContact CD2-CG 4.19Å; L10-F23 HydrophobicContact CD2-CZ 4.16Å; L10-F92 HydrophobicContact CD1-CD1 3.75Å; L10-F92 HydrophobicContact CD1-CE1 3.69Å; L10-L96 HydrophobicContact CD1-CD1 4.23Å; L10-L96 HydrophobicContact CD2-CD1 3.95Å; L10-V98 HydrophobicContact CD1-CG2 3.78Å; L10-H103 HydrophobicContact CD1-CB 3.83Å; L10-H103 HydrophobicContact CG-CB 3.76Å; L10-P104 PolarHBondContact N-O 3Å; L10-T105 HydrophobicContact CB-CG2 4.49Å; L10-L106 PolarHBondContact O-N 3.42Å
11V98.7Very high82.6Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-120.4121.1174.11790000108.5A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 3.38Å; V11-G22 PolarHBondContact N-O 2.94Å; V11-G22 PolarHBondContact O-N 3.17Å; V11-A24 HydrophobicContact CG2-CB 4.36Å; V11-L106 HydrophobicContact CG1-CD2 4.18Å; V11-L106 HydrophobicContact CG2-CB 4.42Å; V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.38Å; V11-A349 HydrophobicContact CG2-CB 4.22Å
12C98.5Very high85.6Confident0 Ų050 Ų500%028%0.283CS..EExtended strand (participates in β ladder)trans-120.799.3-178.4-72.50000110.3N14 L106 L107 T108C12-N14 PolarHBondContact O-N 2.89Å; C12-L106 PolarHBondContact N-O 3.31Å; C12-L107 HydrophobicContact CB-CD2 3.8Å; C12-T108 PolarHBondContact O-N 2.93Å; C12-T108 VanDerWaalsContact O-N 3.1Å
13D98.4Very high88.4Confident4 Ų446.5 Ų46.52%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-82.7108172.5171.426.5000110.7G15 V19 K20 T108 Q139 V341 W342D13-G15 PolarHBondContact O-N 3.33Å; D13-V19 WeakPolarHBondContact O-CA 3.38Å; D13-K20 HydrophobicContact CB-CB 4.18Å; D13-K20 PolarHBondContact N-O 3.37Å; D13-K20 PolarHBondContact O-N 2.99Å; D13-K20 WeakPolarHBondContact OD2-CD 3.44Å; D13-K20 IonicContact OD2-NZ 3.67Å; D13-K20 PolarHBondContact OD2-NZ 3.09Å; D13-T108 VanDerWaalsContact CA-OG1 3.28Å; D13-T108 WeakPolarHBondContact CA-OG1 3.44Å; D13-T108 HydrophobicContact CB-CG2 4.02Å; D13-T108 PolarHBondContact OD1-OG1 3.15Å; D13-T108 VanDerWaalsContact OD1-OG1 3.09Å; D13-Q139 PolarHBondContact OD1-NE2 3.17Å; D13-V341 HydrophobicContact CB-CG1 4.08Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.47Å; D13-W342 HydrophobicContact CB-CB 4.2Å
14N96.3Very high90.9Very high10 Ų1039.8 Ų39.85%0.05322%0.22CC..EExtended strand (participates in β ladder)trans-91.282.1-175.9-56.7-56.9000111.1C12 I73 M84 W88 L107 T108 Q139C12-N14 PolarHBondContact O-N 2.89Å; N14-I73 HydrophobicContact CB-CD1 4.11Å; N14-M84 HydrophobicContact CB-CE 4.24Å; N14-M84 WeakPolarHBondContact OD1-CE 3.17Å; N14-W88 PolarHBondContact OD1-NE1 3.41Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.37Å; N14-T108 PolarHBondContact N-OG1 2.93Å; N14-T108 PolarHBondContact ND2-O 2.98Å; N14-Q139 PolarHBondContact O-NE2 2.99Å
15G96.5Very high93.1Very high14 Ų1435 Ų3514%0.14421%0.207CC..  trans-86.9152.7175.600000113.6D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.33Å; G15-G17 PolarHBondContact O-N 2.94Å; G15-L18 WeakPolarHBondContact CA-O 3.39Å; G15-L18 PolarHBondContact N-O 3.31Å; G15-L18 VanDerWaalsContact N-O 3.09Å; G15-S35 VanDerWaalsContact O-CB 3.3Å; G15-S35 WeakPolarHBondContact O-CB 3.35Å; G15-S35 PolarHBondContact O-OG 3.32Å
16S96.8Very high95.3Very high8 Ų829.4 Ų29.46%0.05618%0.177CC..SBendtrans-60-29.2175.4-70.40000115I73 G76 R185S16-I73 WeakPolarHBondContact OG-CG2 3.45Å; S16-I73 PolarHBondContact OG-O 2.89Å; S16-G76 PolarHBondContact OG-N 2.96Å; S16-R185 PolarHBondContact O-NH2 2.82Å; S16-R185 VanDerWaalsContact O-NH2 3.12Å
17G96.2Very high96.6Very high17 Ų1728.9 Ų28.918%0.17518%0.179CC..SBendtrans-103.8-35.5179.700000113.4G15 P34 S35G15-G17 PolarHBondContact O-N 2.94Å; G17-P34 WeakPolarHBondContact O-CA 3.32Å; G17-S35 PolarHBondContact O-N 3.02Å
18L97.8Very high97.2Very high75 Ų7527.7 Ų27.739%0.39318%0.177SC..EExtended strand (participates in β ladder)trans-140.4137.1-173.9-64172.6000110.7G15 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.39Å; G15-L18 PolarHBondContact N-O 3.31Å; G15-L18 VanDerWaalsContact N-O 3.09Å; L18-V32 HydrophobicContact CB-CG1 4.45Å; L18-V32 HydrophobicContact CD1-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG1 4.44Å; L18-F33 CarbonylContact C-O 3.16Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.35Å; L18-P34 HydrophobicContact CD2-CG 4.48Å; L18-S35 WeakPolarHBondContact CA-OG 3.47Å; L18-S35 PolarHBondContact N-OG 3.46Å
19V98.5Very high97.3Very high0 Ų025.3 Ų25.30%016%0.163CC..EExtended strand (participates in β ladder)trans-88.4140.2160.5177.30000108.3D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.38Å; V19-V32 WeakPolarHBondContact O-CA 3.21Å; V19-F33 HydrophobicContact CB-CD1 4.38Å; V19-F33 HydrophobicContact CB-CD2 4.46Å; V19-F33 HydrophobicContact CB-CE1 3.85Å; V19-F33 HydrophobicContact CB-CE2 3.93Å; V19-F33 HydrophobicContact CB-CZ 3.61Å; V19-F33 HydrophobicContact CG1-CE1 3.8Å; V19-F33 HydrophobicContact CG1-CZ 3.72Å; V19-F33 HydrophobicContact CG2-CE2 4.09Å; V19-F33 HydrophobicContact CG2-CZ 4.06Å; V19-F33 PolarHBondContact N-O 3.2Å; V19-F33 PolarHBondContact O-N 2.94Å; V19-F33 VanDerWaalsContact O-N 3.09Å; V19-S35 WeakPolarHBondContact CG2-OG 3.44Å; V19-S35 PolarHBondContact N-OG 3.38Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; V19-I87 HydrophobicContact CG2-CG2 3.64Å
20K98.6Very high97.3Very high22 Ų2232.8 Ų32.810%0.09619%0.189CC..EExtended strand (participates in β ladder)trans-125.9127.1170.5-45.8172.9-164.769.10108.2D13 P29 A31 V32 K338 Y339 W342D13-K20 HydrophobicContact CB-CB 4.18Å; D13-K20 PolarHBondContact N-O 3.37Å; D13-K20 PolarHBondContact O-N 2.99Å; D13-K20 WeakPolarHBondContact OD2-CD 3.44Å; D13-K20 IonicContact OD2-NZ 3.67Å; D13-K20 PolarHBondContact OD2-NZ 3.09Å; K20-P29 HydrophobicContact CB-CB 4Å; K20-P29 HydrophobicContact CB-CG 4.25Å; K20-A31 WeakPolarHBondContact CA-O 3.31Å; K20-V32 HydrophobicContact CB-CG2 4.3Å; K20-V32 HydrophobicContact CG-CG1 4.22Å; K20-V32 HydrophobicContact CG-CG2 4.14Å; K20-K338 WeakPolarHBondContact CE-O 3.43Å; K20-Y339 HydrophobicContact CD-CD1 3.79Å; K20-Y339 HydrophobicContact CD-CE1 4.38Å; K20-W342 HydrophobicContact CB-CB 4.29Å; K20-W342 HydrophobicContact CB-CG 4.26Å; K20-W342 HydrophobicContact CD-CB 4.43Å
21A98.7Very high97.3Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-138.5150-174.900000112V11 P29 R30 A31 T91 L96V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 3.38Å; A21-P29 CarbonylContact O-C 3.6Å; A21-R30 PolarHBondContact O-N 3.02Å; A21-A31 PolarHBondContact N-O 3.46Å; A21-A31 PolarHBondContact O-N 3.48Å; A21-T91 HydrophobicContact CB-CG2 3.26Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.33Å; A21-L96 HydrophobicContact CB-CG 4.33Å
22G98.5Very high97.3Very high0 Ų035.4 Ų35.40%021%0.205CC..EExtended strand (participates in β ladder)trans174.9-171.8178.600000111.8L10 V11L10-G22 WeakPolarHBondContact CA-O 3.36Å; V11-G22 PolarHBondContact N-O 2.94Å; V11-G22 PolarHBondContact O-N 3.17Å
23F98.1Very high97.3Very high48 Ų4835.4 Ų35.421%0.21121%0.205CC..EExtended strand (participates in β ladder)trans-91.7144.6-179.1-61.3-90.5000110.9T8 L10 D26 R30 V98T8-F23 HydrophobicContact CG2-CB 3.91Å; T8-F23 HydrophobicContact CG2-CD1 4.23Å; L10-F23 HydrophobicContact CD2-CD1 3.55Å; L10-F23 HydrophobicContact CD2-CE1 3.54Å; L10-F23 HydrophobicContact CD2-CG 4.19Å; L10-F23 HydrophobicContact CD2-CZ 4.16Å; F23-D26 WeakPolarHBondContact O-CB 3.49Å; F23-D26 PolarHBondContact O-N 2.78Å; F23-R30 HydrophobicContact CD2-CG 4.01Å; F23-R30 HydrophobicContact CE2-CG 4.38Å; F23-V98 HydrophobicContact CE1-CG1 4.13Å; F23-V98 HydrophobicContact CZ-CG1 3.68Å
24A96.9Very high97.3Very high13 Ų1336.1 Ų36.111%0.10721%0.211CC..THydrogen-bonded Turntrans-60.5139.4169.900000110.5T8 A9 V11 D26 A349T8-A24 WeakPolarHBondContact CG2-O 3.46Å; A9-A24 HydrophobicContact CB-CB 4.11Å; A9-A24 WeakPolarHBondContact O-CB 3.21Å; A9-A24 PolarHBondContact O-N 2.73Å; V11-A24 HydrophobicContact CG2-CB 4.36Å; A24-D26 VanDerWaalsContact C-N 3.33Å; A24-A349 HydrophobicContact CB-CB 3.64Å
25G94.7Very high97.3Very high51 Ų5135.7 Ų35.753%0.52621%0.208SC..THydrogen-bonded Turntrans88.7-13.2-174.600000114.8S346G25-S346 PolarHBondContact N-O 3.09Å; G25-S346 PolarHBondContact N-OG 3.46Å
26D96.3Very high97.4Very high38 Ų3835.1 Ų35.120%0.20320%0.202CC..  trans-74.3146.3170.3-75.4-28.3000110.9F23 A24 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.49Å; F23-D26 PolarHBondContact O-N 2.78Å; A24-D26 VanDerWaalsContact C-N 3.33Å; D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 2.73Å; D26-R30 IonicContact OD1-CZ 3.42Å; D26-R30 IonicContact OD1-NE 3.04Å; D26-R30 IonicContact OD1-NH2 2.66Å; D26-R30 PolarHBondContact OD1-NH2 3.35Å; D26-R30 IonicContact OD2-CZ 2.73Å; D26-R30 VanDerWaalsContact OD2-CZ 3.27Å; D26-R30 IonicContact OD2-NE 3.09Å; D26-R30 PolarHBondContact OD2-NE 2.89Å; D26-R30 IonicContact OD2-NH2 3.85Å; D26-R30 PolarHBondContact OD2-NH2 2.89Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 WeakPolarHBondContact O-CH2 3.39Å; D26-W342 WeakPolarHBondContact O-CZ3 3.43Å; D26-S346 PolarHBondContact N-OG 2.86Å; D26-S346 PolarHBondContact O-OG 3Å
27D93.7Very high97.5Very high156 Ų15634.7 Ų34.783%0.83420%0.199SC*.SBendtrans-73.4-18.9179.9-66.8-39.2000113.8
28A96.3Very high97.5Very high50 Ų5033.9 Ų33.941%0.41319%0.191SC..SBendtrans-152153.8-177.100000111.1D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.3Å; D26-A28 PolarHBondContact O-N 2.73Å; A28-R30 PolarHBondContact O-N 3.36Å; A28-W342 VanDerWaalsContact C-CH2 3.41Å; A28-W342 VanDerWaalsContact O-CH2 3.3Å; A28-W342 WeakPolarHBondContact O-CH2 3.46Å
29P98Very high97.4Very high18 Ų1834.1 Ų34.112%0.11719%0.186CC..  trans-60.6139.9176.625.5-34.2000111K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 4Å; K20-P29 HydrophobicContact CB-CG 4.25Å; A21-P29 CarbonylContact O-C 3.6Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.04Å; P29-V32 HydrophobicContact CG-CG2 3.55Å; P29-Y339 HydrophobicContact CG-CD1 4.34Å; P29-Y339 HydrophobicContact CG-CG 4.48Å; P29-W342 HydrophobicContact CB-CD2 3.76Å; P29-W342 HydrophobicContact CB-CE3 4.22Å; P29-W342 HydrophobicContact CB-CG 4.03Å; P29-W342 HydrophobicContact CB-CZ2 4.4Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.4Å
30R97.9Very high97.1Very high164 Ų16436.2 Ų36.262%0.61920%0.2SC*.SBendtrans-70.5-30.9174.5-65.6-66.9-180173.5-4.1112.2A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.02Å; F23-R30 HydrophobicContact CD2-CG 4.01Å; F23-R30 HydrophobicContact CE2-CG 4.38Å; D26-R30 IonicContact OD1-CZ 3.42Å; D26-R30 IonicContact OD1-NE 3.04Å; D26-R30 IonicContact OD1-NH2 2.66Å; D26-R30 PolarHBondContact OD1-NH2 3.35Å; D26-R30 IonicContact OD2-CZ 2.73Å; D26-R30 VanDerWaalsContact OD2-CZ 3.27Å; D26-R30 IonicContact OD2-NE 3.09Å; D26-R30 PolarHBondContact OD2-NE 2.89Å; D26-R30 IonicContact OD2-NH2 3.85Å; D26-R30 PolarHBondContact OD2-NH2 2.89Å; A28-R30 PolarHBondContact O-N 3.36Å; R30-L96 HydrophobicContact CB-CD2 3.8Å; R30-L96 HydrophobicContact CG-CD2 4.48Å
31A98.3Very high96.6Very high6 Ų641 Ų415%0.0522%0.218CC..EExtended strand (participates in β ladder)trans-135.4138.6-179.700000111K20 A21 P29 F33 E95K20-A31 WeakPolarHBondContact CA-O 3.31Å; A21-A31 PolarHBondContact N-O 3.46Å; A21-A31 PolarHBondContact O-N 3.48Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.38Å; A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.24Å
32V98.3Very high95.8Very high49 Ų4947.4 Ų47.430%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-139.2111.7172.4-179.80000107.6L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.45Å; L18-V32 HydrophobicContact CD1-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG1 4.44Å; V19-V32 WeakPolarHBondContact O-CA 3.21Å; K20-V32 HydrophobicContact CB-CG2 4.3Å; K20-V32 HydrophobicContact CG-CG1 4.22Å; K20-V32 HydrophobicContact CG-CG2 4.14Å; P29-V32 HydrophobicContact CB-CG2 4.04Å; P29-V32 HydrophobicContact CG-CG2 3.55Å; V32-Y339 HydrophobicContact CG2-CE1 4.17Å
33F98.4Very high94.7Very high0 Ų057 Ų570%029%0.292CS..EExtended strand (participates in β ladder)trans-143.2157.5-174.364.8-89.9000111.8L18 V19 A31 V56 I87 H90 T91 E95L18-F33 CarbonylContact C-O 3.16Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.35Å; V19-F33 HydrophobicContact CB-CD1 4.38Å; V19-F33 HydrophobicContact CB-CD2 4.46Å; V19-F33 HydrophobicContact CB-CE1 3.85Å; V19-F33 HydrophobicContact CB-CE2 3.93Å; V19-F33 HydrophobicContact CB-CZ 3.61Å; V19-F33 HydrophobicContact CG1-CE1 3.8Å; V19-F33 HydrophobicContact CG1-CZ 3.72Å; V19-F33 HydrophobicContact CG2-CE2 4.09Å; V19-F33 HydrophobicContact CG2-CZ 4.06Å; V19-F33 PolarHBondContact N-O 3.2Å; V19-F33 PolarHBondContact O-N 2.94Å; V19-F33 VanDerWaalsContact O-N 3.09Å; A31-F33 HydrophobicContact CB-CD1 4.38Å; F33-V56 HydrophobicContact CE2-CG1 4.38Å; F33-I87 HydrophobicContact CE2-CG2 4.2Å; F33-I87 HydrophobicContact CZ-CG2 4.33Å; F33-H90 AromaticContact CE2-CD2 3.75Å; F33-H90 AromaticContact CZ-CD2 3.97Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.29Å; F33-E95 HydrophobicContact CD1-CG 3.78Å; F33-E95 HydrophobicContact CE1-CB 4.45Å; F33-E95 HydrophobicContact CE1-CG 3.77Å
34P98Very high93.3Very high20 Ų2056.5 Ų56.513%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-58.6134179.1-28.237.1000114.7G17 L18 I36 G57 D58 Q61G17-P34 WeakPolarHBondContact O-CA 3.32Å; L18-P34 HydrophobicContact CD2-CG 4.48Å; P34-I36 HydrophobicContact CB-CD1 3.88Å; P34-I36 HydrophobicContact CB-CG1 3.86Å; P34-I36 HydrophobicContact CB-CG2 4.42Å; P34-I36 PolarHBondContact O-N 2.95Å; P34-G57 WeakPolarHBondContact O-CA 3.45Å; P34-D58 WeakPolarHBondContact CD-OD1 3.32Å; P34-Q61 HydrophobicContact CG-CB 4.37Å
35S97.8Very high91.7Very high0 Ų059 Ų590%032%0.315CS..SBendtrans-77.660.8176.7-54.70000112.1G15 G17 L18 V19 P72G15-S35 VanDerWaalsContact O-CB 3.3Å; G15-S35 WeakPolarHBondContact O-CB 3.35Å; G15-S35 PolarHBondContact O-OG 3.32Å; G17-S35 PolarHBondContact O-N 3.02Å; L18-S35 WeakPolarHBondContact CA-OG 3.47Å; L18-S35 PolarHBondContact N-OG 3.46Å; V19-S35 WeakPolarHBondContact CG2-OG 3.44Å; V19-S35 PolarHBondContact N-OG 3.38Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; S35-P72 WeakPolarHBondContact O-CD 3.47Å
36I97.8Very high90.3Very high2 Ų257.4 Ų57.41%0.0129%0.294CS..  trans-133.7150.5-173.265.6-179.4000112.8P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.88Å; P34-I36 HydrophobicContact CB-CG1 3.86Å; P34-I36 HydrophobicContact CB-CG2 4.42Å; P34-I36 PolarHBondContact O-N 2.95Å; I36-V56 WeakPolarHBondContact O-CA 3.25Å; I36-G57 PolarHBondContact O-N 3Å; I36-G57 VanDerWaalsContact O-N 3.17Å; I36-A60 HydrophobicContact CD1-CB 3.98Å; I36-A60 HydrophobicContact CG1-CB 3.96Å; I36-Q61 HydrophobicContact CD1-CB 4.01Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.28Å; I36-L69 HydrophobicContact CD1-CD1 4.11Å; I36-L69 HydrophobicContact CD1-CD2 4.42Å; I36-K70 WeakPolarHBondContact CA-O 3.2Å; I36-Y71 HydrophobicContact CG2-CD1 3.44Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.44Å; I36-Y71 HydrophobicContact CG2-CE1 3.25Å; I36-Y71 HydrophobicContact CG2-CG 4.16Å
37V98.2Very high88.6Confident0 Ų062 Ų620%032%0.322CS..EExtended strand (participates in β ladder)trans-121.6125.3168.7-178.20000109.2Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.21Å; V37-Y55 WeakPolarHBondContact CA-O 3.42Å; V37-V56 HydrophobicContact CG2-CG2 4.38Å; V37-K70 PolarHBondContact N-O 2.73Å; V37-K70 PolarHBondContact O-N 2.89Å; V37-D83 HydrophobicContact CB-CB 4.23Å; V37-D83 HydrophobicContact CG2-CB 3.75Å; V37-K86 HydrophobicContact CG1-CD 4.19Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; V37-I87 HydrophobicContact CG2-CD1 4.34Å; V37-I87 HydrophobicContact CG2-CG1 3.98Å
38G96.7Very high87.2Confident0 Ų058.5 Ų58.50%032%0.324CS..EExtended strand (participates in β ladder)trans-106.8137.5177.500000112.4S54 Y55 T68G38-S54 CarbonylContact O-C 3.48Å; G38-S54 WeakPolarHBondContact O-CA 3.35Å; G38-Y55 PolarHBondContact N-O 3.3Å; G38-Y55 PolarHBondContact O-N 3.48Å; G38-T68 WeakPolarHBondContact CA-O 3.25Å
39R95.1Very high85.5Confident79 Ų7962.5 Ų62.530%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-125.1141.2174.3-66.9179.3176.382.2-10.7111.1R41 L67 T68 D83R39-R41 PolarHBondContact O-N 2.96Å; R39-L67 CarbonylContact O-C 3.55Å; R39-L67 WeakPolarHBondContact O-CA 3.44Å; R39-T68 PolarHBondContact N-O 2.88Å; R39-T68 PolarHBondContact O-N 3.34Å; R39-D83 IonicContact CZ-OD1 2.94Å; R39-D83 VanDerWaalsContact CZ-OD1 3.31Å; R39-D83 IonicContact CZ-OD2 3.31Å; R39-D83 IonicContact NH1-OD1 3.64Å; R39-D83 PolarHBondContact NH1-OD1 3.39Å; R39-D83 VanDerWaalsContact NH1-OD1 3.16Å; R39-D83 IonicContact NH1-OD2 3.16Å; R39-D83 PolarHBondContact NH1-OD2 2.82Å; R39-D83 IonicContact NH2-OD1 2.69Å; R39-D83 PolarHBondContact NH2-OD1 2.86Å; R39-D83 IonicContact NH2-OD2 2.64Å
40P92.6Very high83.9Confident45 Ų4564.9 Ų64.929%0.29236%0.364SS..EExtended strand (participates in β ladder)trans-55.7132.9179.8-26.235.1000113M46 Y55 L67P40-M46 HydrophobicContact CG-CE 4.16Å; P40-M46 HydrophobicContact CG-SD 4.22Å; P40-Y55 HydrophobicContact CG-CE2 4.17Å; P40-L67 HydrophobicContact CB-CD2 4.42Å; P40-L67 HydrophobicContact CG-CD2 4.15Å
41R88Confident82.6Confident122 Ų12263.6 Ų63.646%0.4636%0.364SS..SBendtrans-68.9-33.2179.2-73.3-178.1-175.6-168.12.8113.6R39 I66 L67 T68R39-R41 PolarHBondContact O-N 2.96Å; R41-I66 PolarHBondContact N-O 2.98Å; R41-I66 VanDerWaalsContact N-O 3.14Å; R41-L67 PolarHBondContact NE-O 3.31Å; R41-L67 PolarHBondContact NH2-O 3.3Å; R41-T68 WeakPolarHBondContact CG-OG1 3.33Å
42H82.7Confident81.9Confident134 Ų13468 Ų6862%0.6238%0.383SS*.SBendtrans-134.8146.9178-47.5-72.4000109.9V45H42-V45 HydrophobicContact CB-CG2 3.63Å; H42-V45 WeakPolarHBondContact O-CG2 3.33Å
43Q74.1Confident81.4Confident201 Ų20172.7 Ų72.794%0.93941%0.406SS*.THydrogen-bonded Turntrans-64.6138.5170.7-70.6179.1-14.800109.5V45Q43-V45 PolarHBondContact O-N 3.12Å
44G70Confident81.2Confident38 Ų3874.2 Ų74.239%0.39242%0.416SS..THydrogen-bonded Turntrans83.4-0.9176.100000116.5M46 V47G44-M46 PolarHBondContact O-N 2.61Å; G44-M46 VanDerWaalsContact O-N 3.15Å; G44-V47 VanDerWaalsContact O-CG2 3.23Å; G44-V47 WeakPolarHBondContact O-CG2 3.05Å
45V63.4Low81.1Confident67 Ų6773.4 Ų73.441%0.40641%0.411SS..THydrogen-bonded Turntrans-61.3-25.2177178.40000112.3H42 Q43 I66H42-V45 HydrophobicContact CB-CG2 3.63Å; H42-V45 WeakPolarHBondContact O-CG2 3.33Å; Q43-V45 PolarHBondContact O-N 3.12Å; V45-I66 HydrophobicContact CG1-CB 4.05Å; V45-I66 HydrophobicContact CG1-CD1 4.3Å; V45-I66 HydrophobicContact CG1-CG2 4.03Å
46M64.2Low81.2Confident17 Ų1774 Ų748%0.08441%0.414CS..THydrogen-bonded Turntrans-103.954.6-176.2-62.7176.8174.300111.9P40 G44 G48 M49 Q51 Y55 K63 I66 L67P40-M46 HydrophobicContact CG-CE 4.16Å; P40-M46 HydrophobicContact CG-SD 4.22Å; G44-M46 PolarHBondContact O-N 2.61Å; G44-M46 VanDerWaalsContact O-N 3.15Å; M46-G48 PolarHBondContact O-N 3.36Å; M46-M49 VanDerWaalsContact O-O 3.14Å; M46-Q51 HydrophobicContact CB-CG 4.36Å; M46-Y55 HydrophobicContact CE-CD2 4.31Å; M46-Y55 HydrophobicContact CE-CE2 3.48Å; M46-Y55 VanDerWaalsContact CE-CE2 3.48Å; M46-Y55 HydrophobicContact SD-CE2 3.76Å; M46-Y55 PolarHBondContact SD-OH 3.42Å; M46-K63 HydrophobicContact CE-CD 4.35Å; M46-I66 HydrophobicContact CE-CD1 3.71Å; M46-I66 HydrophobicContact CE-CG1 4.36Å; M46-I66 HydrophobicContact CG-CD1 4.47Å; M46-L67 HydrophobicContact CE-CD2 3.66Å
47V60.9Low81.1Confident133 Ų13373.9 Ų73.981%0.80641%0.414SS*.THydrogen-bonded Turntrans-66.8117.5171.3-173.80000108.9G44G44-V47 VanDerWaalsContact O-CG2 3.23Å; G44-V47 WeakPolarHBondContact O-CG2 3.05Å
48G64.5Low81.1Confident84 Ų8477.8 Ų77.887%0.86644%0.435SS*.THydrogen-bonded Turntrans93.8-10.8173.900000116.5M46M46-G48 PolarHBondContact O-N 3.36Å
49M61.3Low81Confident133 Ų13380.4 Ų80.466%0.65545%0.447SS*.SBendtrans-104.8127.6164.9-69.5-175162.900107.2M46 Q51M46-M49 VanDerWaalsContact O-O 3.14Å; M49-Q51 PolarHBondContact O-N 3.19Å; M49-Q51 VanDerWaalsContact O-N 3.09Å
50G64.5Low81.1Confident69 Ų6976.7 Ų76.771%0.71143%0.433SS*.  trans-44.6121.1-176.600000112K52G50-K52 PolarHBondContact O-N 3.09Å
51Q70.1Confident81.2Confident136 Ų13676.5 Ų76.564%0.63643%0.428SS*.  trans-70.699.8-177.4-76.7-176.2-12.200109.2M46 M49M46-Q51 HydrophobicContact CB-CG 4.36Å; M49-Q51 PolarHBondContact O-N 3.19Å; M49-Q51 VanDerWaalsContact O-N 3.09Å
52K83.5Confident81.4Confident99 Ų9975.2 Ų75.243%0.4344%0.438SS..  trans-86.6143.4162.1-58.5-177.2-173.7171.40109.4G50 S54 Y55 E59G50-K52 PolarHBondContact O-N 3.09Å; K52-S54 WeakPolarHBondContact CB-O 3.28Å; K52-S54 PolarHBondContact O-N 3.43Å; K52-Y55 HydrophobicContact CB-CE1 3.98Å; K52-Y55 HydrophobicContact CB-CE2 4.3Å; K52-Y55 HydrophobicContact CD-CD1 4.31Å; K52-Y55 HydrophobicContact CD-CE1 3.92Å; K52-Y55 HydrophobicContact CG-CE1 4.21Å; K52-Y55 PolarHBondContact N-OH 2.9Å; K52-E59 IonicContact NZ-OE1 3.87Å; K52-E59 IonicContact NZ-OE2 3.6Å; K52-E59 PolarHBondContact NZ-OE2 2.8Å
53D88.4Confident81.8Confident147 Ų14770.9 Ų70.979%0.78642%0.417SS*.SBendtrans-68.7-25.8174.6-66.6-32.3000112.6
54S94.4Very high82.7Confident32 Ų3261.9 Ų61.922%0.22438%0.375CS..  trans-150155.9178.859.30000112.3G38 K52 K86G38-S54 CarbonylContact O-C 3.48Å; G38-S54 WeakPolarHBondContact O-CA 3.35Å; K52-S54 WeakPolarHBondContact CB-O 3.28Å; K52-S54 PolarHBondContact O-N 3.43Å; S54-K86 WeakPolarHBondContact OG-CD 3.09Å
55Y96Very high83.6Confident3 Ų363 Ų631%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-126.9147.9179.4-61.9-82.4000108.2V37 G38 P40 M46 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.21Å; V37-Y55 WeakPolarHBondContact CA-O 3.42Å; G38-Y55 PolarHBondContact N-O 3.3Å; G38-Y55 PolarHBondContact O-N 3.48Å; P40-Y55 HydrophobicContact CG-CE2 4.17Å; M46-Y55 HydrophobicContact CE-CD2 4.31Å; M46-Y55 HydrophobicContact CE-CE2 3.48Å; M46-Y55 VanDerWaalsContact CE-CE2 3.48Å; M46-Y55 HydrophobicContact SD-CE2 3.76Å; M46-Y55 PolarHBondContact SD-OH 3.42Å; K52-Y55 HydrophobicContact CB-CE1 3.98Å; K52-Y55 HydrophobicContact CB-CE2 4.3Å; K52-Y55 HydrophobicContact CD-CD1 4.31Å; K52-Y55 HydrophobicContact CD-CE1 3.92Å; K52-Y55 HydrophobicContact CG-CE1 4.21Å; K52-Y55 PolarHBondContact N-OH 2.9Å; Y55-E59 HydrophobicContact CD1-CG 3.75Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.38Å; Y55-E59 HydrophobicContact CE1-CG 4.49Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.36Å; Y55-K63 HydrophobicContact CD1-CD 4.12Å; Y55-K63 HydrophobicContact CE1-CD 4.15Å; Y55-K63 HydrophobicContact CG-CD 4.45Å; Y55-L67 HydrophobicContact CD2-CD1 3.75Å; Y55-L67 HydrophobicContact CD2-CD2 3.77Å; Y55-L67 HydrophobicContact CD2-CG 4.46Å; Y55-L67 HydrophobicContact CE2-CD2 4.1Å; Y55-L67 HydrophobicContact CG-CD1 3.97Å
56V98Very high84.8Confident12 Ų1263.2 Ų63.27%0.07339%0.385CS..EExtended strand (participates in β ladder)trans-128.5150.8-177-177.40000109.6F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.38Å; I36-V56 WeakPolarHBondContact O-CA 3.25Å; V37-V56 HydrophobicContact CG2-CG2 4.38Å; V56-E59 WeakPolarHBondContact O-CB 3.37Å; V56-E59 PolarHBondContact O-N 3.29Å; V56-A60 PolarHBondContact O-N 2.88Å; V56-K86 HydrophobicContact CG2-CB 4.17Å; V56-I87 HydrophobicContact CG1-CG1 3.9Å; V56-H90 HydrophobicContact CB-CB 3.92Å; V56-H90 HydrophobicContact CG1-CB 3.63Å; V56-H90 HydrophobicContact CG2-CB 4.31Å
57G97.5Very high86.2Confident0 Ų062.4 Ų62.40%038%0.381CS..Hα-helixtrans62-136168.600000113.9P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.45Å; I36-G57 PolarHBondContact O-N 3Å; I36-G57 VanDerWaalsContact O-N 3.17Å; G57-E59 PolarHBondContact O-N 2.96Å; G57-A60 WeakPolarHBondContact O-CB 3.25Å; G57-A60 PolarHBondContact O-N 2.74Å; G57-A60 VanDerWaalsContact O-N 3.08Å; G57-Q61 PolarHBondContact O-N 3.36Å
58D97.1Very high87.8Confident82 Ų8259.4 Ų59.444%0.43936%0.362SS..Hα-helixtrans-63.3-29.4-178.9-67.1-45.6000112.7P34 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.32Å; D58-Q61 PolarHBondContact O-N 2.8Å; D58-S62 WeakPolarHBondContact O-CB 3.42Å; D58-S62 PolarHBondContact O-N 3.05Å; D58-S62 PolarHBondContact O-OG 3.3Å
59E95.4Very high89.3Confident56 Ų5656.9 Ų56.926%0.26233%0.329SS..Hα-helixtrans-65.7-40.4174.1-164.1-177.3177.100111K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 3.87Å; K52-E59 IonicContact NZ-OE2 3.6Å; K52-E59 PolarHBondContact NZ-OE2 2.8Å; Y55-E59 HydrophobicContact CD1-CG 3.75Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.38Å; Y55-E59 HydrophobicContact CE1-CG 4.49Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.36Å; V56-E59 WeakPolarHBondContact O-CB 3.37Å; V56-E59 PolarHBondContact O-N 3.29Å; G57-E59 PolarHBondContact O-N 2.96Å; E59-S62 PolarHBondContact O-OG 3Å; E59-S62 VanDerWaalsContact O-OG 3.06Å; E59-K63 HydrophobicContact CG-CD 4.47Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.34Å; E59-K63 IonicContact OE1-NZ 2.68Å; E59-K63 PolarHBondContact OE1-NZ 3.1Å
60A96Very high91Very high0 Ų055.6 Ų55.60%032%0.32CS..Hα-helixtrans-69.4-40.6173.700000111.6I36 V56 G57 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 3.98Å; I36-A60 HydrophobicContact CG1-CB 3.96Å; V56-A60 PolarHBondContact O-N 2.88Å; G57-A60 WeakPolarHBondContact O-CB 3.25Å; G57-A60 PolarHBondContact O-N 2.74Å; G57-A60 VanDerWaalsContact O-N 3.08Å; A60-K63 CarbonylContact O-C 3.54Å; A60-K63 PolarHBondContact O-N 3.14Å; A60-R64 PolarHBondContact O-N 2.9Å; A60-L67 HydrophobicContact CB-CD1 4.41Å; A60-L69 HydrophobicContact CB-CD2 4.05Å
61Q94.6Very high92.5Very high42 Ų4255.5 Ų55.520%0.19630%0.298CS..Hα-helixtrans-62.9-47.8-178.7-172.5647.700111.9P34 I36 G57 D58 K63 R64 E209P34-Q61 HydrophobicContact CG-CB 4.37Å; I36-Q61 HydrophobicContact CD1-CB 4.01Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.28Å; G57-Q61 PolarHBondContact O-N 3.36Å; D58-Q61 PolarHBondContact O-N 2.8Å; Q61-K63 PolarHBondContact O-N 3.17Å; Q61-R64 VanDerWaalsContact O-CB 3.25Å; Q61-R64 WeakPolarHBondContact O-CB 3.36Å; Q61-R64 PolarHBondContact O-N 3.49Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; Q61-E209 PolarHBondContact NE2-OE2 3.3Å
62S92.9Very high93.8Very high95 Ų9549 Ų4966%0.66427%0.268SS*.Hα-helixtrans-62.9-26.5178.4570000113.2D58 E59D58-S62 WeakPolarHBondContact O-CB 3.42Å; D58-S62 PolarHBondContact O-N 3.05Å; D58-S62 PolarHBondContact O-OG 3.3Å; E59-S62 PolarHBondContact O-OG 3Å; E59-S62 VanDerWaalsContact O-OG 3.06Å
63K92Very high94.5Very high42 Ų4244.4 Ų44.418%0.18325%0.248CC..THydrogen-bonded Turntrans-99.512.3179-65.4172.6-177.1170.10113.3M46 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact CE-CD 4.35Å; Y55-K63 HydrophobicContact CD1-CD 4.12Å; Y55-K63 HydrophobicContact CE1-CD 4.15Å; Y55-K63 HydrophobicContact CG-CD 4.45Å; E59-K63 HydrophobicContact CG-CD 4.47Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.34Å; E59-K63 IonicContact OE1-NZ 2.68Å; E59-K63 PolarHBondContact OE1-NZ 3.1Å; A60-K63 CarbonylContact O-C 3.54Å; A60-K63 PolarHBondContact O-N 3.14Å; Q61-K63 PolarHBondContact O-N 3.17Å; K63-G65 PolarHBondContact O-N 3.48Å; K63-I66 HydrophobicContact CB-CG1 4.23Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.46Å; K63-I66 PolarHBondContact O-N 3.11Å; K63-L67 HydrophobicContact CB-CD1 3.52Å; K63-L67 HydrophobicContact CB-CG 3.82Å; K63-L67 WeakPolarHBondContact O-CG 3.36Å; K63-L67 PolarHBondContact O-N 3.16Å; K63-L67 VanDerWaalsContact O-N 3.17Å
64R91.6Very high94.9Very high13 Ų1342.2 Ų42.25%0.04923%0.233CC..THydrogen-bonded Turntrans-48.3-36.8-176.3176.4176-68.9-131.6-4.8114.7A60 Q61 I66 L67 L69 Y71 T205 E209A60-R64 PolarHBondContact O-N 2.9Å; Q61-R64 VanDerWaalsContact O-CB 3.25Å; Q61-R64 WeakPolarHBondContact O-CB 3.36Å; Q61-R64 PolarHBondContact O-N 3.49Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; R64-I66 PolarHBondContact O-N 3.37Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-O 3.12Å; R64-L69 HydrophobicContact CB-CD1 3.87Å; R64-L69 HydrophobicContact CG-CD1 3.6Å; R64-L69 HydrophobicContact CG-CG 4.34Å; R64-L69 VanDerWaalsContact CZ-CD1 3.48Å; R64-Y71 PolarHBondContact NH2-OH 3.26Å; R64-T205 WeakPolarHBondContact CD-O 3.45Å; R64-T205 PolarHBondContact NH1-O 3.41Å; R64-E209 IonicContact CZ-OE1 2.93Å; R64-E209 IonicContact NH1-OE1 3.62Å; R64-E209 PolarHBondContact NH1-OE1 3.1Å; R64-E209 IonicContact NH2-OE1 3.02Å; R64-E209 PolarHBondContact NH2-OE1 3.09Å
65G88.3Confident94.9Very high62 Ų6243.5 Ų43.564%0.63924%0.236SC*.THydrogen-bonded Turntrans-62.7-26-179.100000114.5K63K63-G65 PolarHBondContact O-N 3.48Å
66I90.2Very high94.9Very high71 Ų7144 Ų4436%0.36424%0.241SC..THydrogen-bonded Turntrans-115.5-2.4-178.360.3171000113.4R41 V45 M46 K63 R64R41-I66 PolarHBondContact N-O 2.98Å; R41-I66 VanDerWaalsContact N-O 3.14Å; V45-I66 HydrophobicContact CG1-CB 4.05Å; V45-I66 HydrophobicContact CG1-CD1 4.3Å; V45-I66 HydrophobicContact CG1-CG2 4.03Å; M46-I66 HydrophobicContact CE-CD1 3.71Å; M46-I66 HydrophobicContact CE-CG1 4.36Å; M46-I66 HydrophobicContact CG-CD1 4.47Å; K63-I66 HydrophobicContact CB-CG1 4.23Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.46Å; K63-I66 PolarHBondContact O-N 3.11Å; R64-I66 PolarHBondContact O-N 3.37Å
67L93Very high94.8Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-108.2150.9179.1-60-176.2000111.6R39 P40 R41 M46 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.55Å; R39-L67 WeakPolarHBondContact O-CA 3.44Å; P40-L67 HydrophobicContact CB-CD2 4.42Å; P40-L67 HydrophobicContact CG-CD2 4.15Å; R41-L67 PolarHBondContact NE-O 3.31Å; R41-L67 PolarHBondContact NH2-O 3.3Å; M46-L67 HydrophobicContact CE-CD2 3.66Å; Y55-L67 HydrophobicContact CD2-CD1 3.75Å; Y55-L67 HydrophobicContact CD2-CD2 3.77Å; Y55-L67 HydrophobicContact CD2-CG 4.46Å; Y55-L67 HydrophobicContact CE2-CD2 4.1Å; Y55-L67 HydrophobicContact CG-CD1 3.97Å; A60-L67 HydrophobicContact CB-CD1 4.41Å; K63-L67 HydrophobicContact CB-CD1 3.52Å; K63-L67 HydrophobicContact CB-CG 3.82Å; K63-L67 WeakPolarHBondContact O-CG 3.36Å; K63-L67 PolarHBondContact O-N 3.16Å; K63-L67 VanDerWaalsContact O-N 3.17Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-O 3.12Å; L67-L69 HydrophobicContact CB-CD2 3.95Å; L67-L69 HydrophobicContact CD1-CD2 4.41Å
68T94Very high94.9Very high69 Ų6945.4 Ų45.442%0.42325%0.248SC..EExtended strand (participates in β ladder)trans-89.2115.1157.6-61.40000107.2G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.25Å; R39-T68 PolarHBondContact N-O 2.88Å; R39-T68 PolarHBondContact O-N 3.34Å; R41-T68 WeakPolarHBondContact CG-OG1 3.33Å
69L95.5Very high94.9Very high31 Ų3144.9 Ų44.916%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-91137.3178.9-57.8-175.4000110.6I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.11Å; I36-L69 HydrophobicContact CD1-CD2 4.42Å; A60-L69 HydrophobicContact CB-CD2 4.05Å; R64-L69 HydrophobicContact CB-CD1 3.87Å; R64-L69 HydrophobicContact CG-CD1 3.6Å; R64-L69 HydrophobicContact CG-CG 4.34Å; R64-L69 VanDerWaalsContact CZ-CD1 3.48Å; L67-L69 HydrophobicContact CB-CD2 3.95Å; L67-L69 HydrophobicContact CD1-CD2 4.41Å
70K97.1Very high95Very high107 Ų10744.5 Ų44.547%0.46525%0.248SC..EExtended strand (participates in β ladder)trans-123.6148.8172.7-68.3-168.4174.3-172.80110.2I36 V37I36-K70 WeakPolarHBondContact CA-O 3.2Å; V37-K70 PolarHBondContact N-O 2.73Å; V37-K70 PolarHBondContact O-N 2.89Å
71Y96.9Very high95.1Very high66 Ų6646.8 Ų46.826%0.25926%0.256SS..  trans-115103179.2-61.4-99.6000107.2I36 R64 I73I36-Y71 HydrophobicContact CG2-CD1 3.44Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.44Å; I36-Y71 HydrophobicContact CG2-CE1 3.25Å; I36-Y71 HydrophobicContact CG2-CG 4.16Å; R64-Y71 PolarHBondContact NH2-OH 3.26Å; Y71-I73 PolarHBondContact O-N 2.81Å
72P97.9Very high95.3Very high1 Ų150 Ų501%0.00628%0.275CS..SBendtrans-73.1-6.4-17727.7-33.3000113.9S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.47Å; P72-I78 CarbonylContact O-C 3.56Å; P72-I78 WeakPolarHBondContact O-CA 3.17Å; P72-T79 PolarHBondContact O-N 3.42Å; P72-T79 PolarHBondContact O-OG1 3.03Å; P72-N80 HydrophobicContact CB-CB 4.02Å; P72-N80 WeakPolarHBondContact CB-O 3.36Å; P72-N80 PolarHBondContact O-N 3.49Å; P72-D83 HydrophobicContact CB-CB 3.82Å; P72-D83 HydrophobicContact CG-CB 4.17Å; P72-M84 HydrophobicContact CG-SD 4.48Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.44Å
73I97.9Very high95.5Very high1 Ų145.6 Ų45.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-119.2113.7176.3-51.2175.4000108.9N14 S16 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.11Å; S16-I73 WeakPolarHBondContact OG-CG2 3.45Å; S16-I73 PolarHBondContact OG-O 2.89Å; Y71-I73 PolarHBondContact O-N 2.81Å; I73-I77 CarbonylContact C-O 3.52Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.1Å; I73-I78 HydrophobicContact CG1-CG1 4.05Å; I73-M84 HydrophobicContact CD1-CE 4.08Å; I73-M84 HydrophobicContact CD1-SD 3.8Å; I73-M84 HydrophobicContact CG1-SD 3.87Å
74E95.8Very high95.9Very high101 Ų10143.6 Ų43.647%0.47224%0.235SC..EExtended strand (participates in β ladder)trans-112.6124.6177.8-67.4173.1-136.300109.4G76 I77 T79E74-G76 PolarHBondContact O-N 3.46Å; E74-G76 VanDerWaalsContact O-N 3.15Å; E74-I77 PolarHBondContact N-O 2.88Å; E74-I77 PolarHBondContact O-N 3.36Å; E74-T79 HydrophobicContact CB-CG2 3.91Å; E74-T79 HydrophobicContact CG-CG2 4.19Å; E74-T79 PolarHBondContact OE1-OG1 2.8Å; E74-T79 VanDerWaalsContact OE1-OG1 3.05Å
75H95.4Very high96.2Very high60 Ų6045.2 Ų45.228%0.27824%0.243SC..THydrogen-bonded Turntrans46.147.2-178.7-50.2160.6000113.5I77 G160 V161 R179 D181H75-I77 VanDerWaalsContact C-N 3.27Å; H75-I77 PolarHBondContact O-N 2.73Å; H75-G160 WeakPolarHBondContact CA-O 3.47Å; H75-G160 PolarHBondContact CD2-O 3.41Å; H75-V161 HydrophobicContact CB-CB 4.21Å; H75-R179 VanDerWaalsContact CB-NH2 3.28Å; H75-R179 PolarHBondContact O-NH2 3.48Å; H75-D181 IonicContact CE1-OD2 3.06Å; H75-D181 IonicContact CG-OD2 2.76Å; H75-D181 IonicContact ND1-OD2 3.75Å; H75-D181 PolarHBondContact ND1-OD2 3.14Å
76G95.1Very high96.6Very high12 Ų1245 Ų4512%0.12423%0.225CC..THydrogen-bonded Turntrans76.1-0.7-178.600000116.3S16 E74S16-G76 PolarHBondContact OG-N 2.96Å; E74-G76 PolarHBondContact O-N 3.46Å; E74-G76 VanDerWaalsContact O-N 3.15Å
77I97.4Very high97Very high27 Ų2741.7 Ų41.714%0.13821%0.208CC..EExtended strand (participates in β ladder)trans-109.8130.2-177.3-54.8-56.4000110.3I73 E74 H75 T79 N117I73-I77 CarbonylContact C-O 3.52Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.1Å; E74-I77 PolarHBondContact N-O 2.88Å; E74-I77 PolarHBondContact O-N 3.36Å; H75-I77 VanDerWaalsContact C-N 3.27Å; H75-I77 PolarHBondContact O-N 2.73Å; I77-T79 PolarHBondContact O-N 3.12Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.47Å
78I98.2Very high97.3Very high15 Ų1541.7 Ų41.78%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-68.4118.3171.7-61.5161.4000108.9P72 I73 W81 M84 W88 N117 M121P72-I78 CarbonylContact O-C 3.56Å; P72-I78 WeakPolarHBondContact O-CA 3.17Å; I73-I78 HydrophobicContact CG1-CG1 4.05Å; I78-W81 HydrophobicContact CB-CH2 4.1Å; I78-W81 HydrophobicContact CB-CZ2 4.08Å; I78-W81 HydrophobicContact CB-CZ3 4.44Å; I78-W81 HydrophobicContact CD1-CH2 3.69Å; I78-W81 HydrophobicContact CD1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CD2 3.82Å; I78-W81 HydrophobicContact CG2-CE3 3.87Å; I78-W81 HydrophobicContact CG2-CG 4.43Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4Å; I78-W81 HydrophobicContact CG2-CZ3 4.02Å; I78-M84 HydrophobicContact CD1-CG 3.99Å; I78-M84 HydrophobicContact CD1-SD 4.35Å; I78-M84 HydrophobicContact CG1-CG 4.24Å; I78-M84 HydrophobicContact CG1-SD 4.2Å; I78-M84 HydrophobicContact CG2-CB 3.95Å; I78-M84 HydrophobicContact CG2-CG 4.15Å; I78-W88 HydrophobicContact CD1-CH2 4.27Å; I78-W88 HydrophobicContact CD1-CZ2 4.27Å; I78-N117 PolarHBondContact O-ND2 2.94Å; I78-N117 VanDerWaalsContact O-ND2 3.15Å; I78-M121 HydrophobicContact CD1-CG 4.11Å; I78-M121 HydrophobicContact CD1-SD 4.03Å
79T97.4Very high97.5Very high72 Ų7242.9 Ų42.944%0.44221%0.208SC..  trans-107.3-18.1178.759.30000112.8P72 E74 I77P72-T79 PolarHBondContact O-N 3.42Å; P72-T79 PolarHBondContact O-OG1 3.03Å; E74-T79 HydrophobicContact CB-CG2 3.91Å; E74-T79 HydrophobicContact CG-CG2 4.19Å; E74-T79 PolarHBondContact OE1-OG1 2.8Å; E74-T79 VanDerWaalsContact OE1-OG1 3.05Å; I77-T79 PolarHBondContact O-N 3.12Å
80N98.2Very high97.7Very high48 Ų4842.2 Ų42.226%0.25721%0.205SC..  trans-134.6102.6178.2-169.1-55.8000111.7P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.02Å; P72-N80 WeakPolarHBondContact CB-O 3.36Å; P72-N80 PolarHBondContact O-N 3.49Å; N80-D82 PolarHBondContact OD1-N 3.42Å; N80-D83 HydrophobicContact CB-CB 4.3Å; N80-D83 PolarHBondContact O-N 3.1Å; N80-D83 WeakPolarHBondContact OD1-CB 3.36Å; N80-D83 PolarHBondContact OD1-N 3.06Å; N80-M84 WeakPolarHBondContact O-CB 3.34Å; N80-M84 PolarHBondContact O-N 2.86Å
81W98.2Very high97.7Very high47 Ų4737.1 Ų37.118%0.17818%0.182CC..Hα-helixtrans-69.4-39.5-177.3-67.8102000113.3I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.1Å; I78-W81 HydrophobicContact CB-CZ2 4.08Å; I78-W81 HydrophobicContact CB-CZ3 4.44Å; I78-W81 HydrophobicContact CD1-CH2 3.69Å; I78-W81 HydrophobicContact CD1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CD2 3.82Å; I78-W81 HydrophobicContact CG2-CE3 3.87Å; I78-W81 HydrophobicContact CG2-CG 4.43Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4Å; I78-W81 HydrophobicContact CG2-CZ3 4.02Å; W81-D83 PolarHBondContact O-N 3.38Å; W81-M84 PolarHBondContact O-N 2.85Å; W81-M84 VanDerWaalsContact O-N 3.12Å; W81-E85 WeakPolarHBondContact O-CG 2.99Å; W81-E85 PolarHBondContact O-N 2.88Å; W81-W88 AromaticContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CZ3 4.34Å; W81-N117 HydrophobicContact CH2-CB 4.23Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 3.39Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; W81-K120 HydrophobicContact CD2-CB 4.22Å; W81-K120 HydrophobicContact CD2-CG 3.4Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.36Å; W81-K120 HydrophobicContact CE3-CG 3.65Å; W81-K120 HydrophobicContact CG-CG 3.91Å; W81-K120 HydrophobicContact CH2-CB 3.81Å; W81-K120 HydrophobicContact CH2-CG 4.02Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.14Å; W81-K120 HydrophobicContact CZ3-CG 3.92Å; W81-M121 HydrophobicContact CH2-CG 3.56Å; W81-M121 HydrophobicContact CZ3-CB 4.48Å; W81-M121 HydrophobicContact CZ3-CG 3.73Å; W81-I124 HydrophobicContact CD2-CD1 4.25Å; W81-I124 HydrophobicContact CE3-CD1 3.4Å; W81-I124 HydrophobicContact CZ3-CD1 3.97Å
82D98Very high97.8Very high111 Ų11134 Ų3459%0.59417%0.17SC*.Hα-helixtrans-61-35.5178.1-61.1-15000112.2N80 K86N80-D82 PolarHBondContact OD1-N 3.42Å; D82-K86 WeakPolarHBondContact O-CG 3.39Å; D82-K86 PolarHBondContact O-NZ 3.47Å
83D98.4Very high97.8Very high1 Ų138.4 Ų38.41%0.00519%0.187CC..Hα-helixtrans-81.9-31.4176.7-77.1-7000111.7V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.23Å; V37-D83 HydrophobicContact CG2-CB 3.75Å; R39-D83 IonicContact CZ-OD1 2.94Å; R39-D83 VanDerWaalsContact CZ-OD1 3.31Å; R39-D83 IonicContact CZ-OD2 3.31Å; R39-D83 IonicContact NH1-OD1 3.64Å; R39-D83 PolarHBondContact NH1-OD1 3.39Å; R39-D83 VanDerWaalsContact NH1-OD1 3.16Å; R39-D83 IonicContact NH1-OD2 3.16Å; R39-D83 PolarHBondContact NH1-OD2 2.82Å; R39-D83 IonicContact NH2-OD1 2.69Å; R39-D83 PolarHBondContact NH2-OD1 2.86Å; R39-D83 IonicContact NH2-OD2 2.64Å; P72-D83 HydrophobicContact CB-CB 3.82Å; P72-D83 HydrophobicContact CG-CB 4.17Å; N80-D83 HydrophobicContact CB-CB 4.3Å; N80-D83 PolarHBondContact O-N 3.1Å; N80-D83 WeakPolarHBondContact OD1-CB 3.36Å; N80-D83 PolarHBondContact OD1-N 3.06Å; W81-D83 PolarHBondContact O-N 3.38Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.73Å; D83-K86 PolarHBondContact OD1-NZ 3.41Å; D83-I87 WeakPolarHBondContact O-CG1 3.47Å; D83-I87 PolarHBondContact O-N 3.22Å; D83-I87 VanDerWaalsContact O-N 3.07Å
84M98.4Very high97.8Very high0 Ų041.9 Ų41.90%021%0.206CC..Hα-helixtrans-65.5-40.7171.9-164.466.6-153.200112.3N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.24Å; N14-M84 WeakPolarHBondContact OD1-CE 3.17Å; P72-M84 HydrophobicContact CG-SD 4.48Å; I73-M84 HydrophobicContact CD1-CE 4.08Å; I73-M84 HydrophobicContact CD1-SD 3.8Å; I73-M84 HydrophobicContact CG1-SD 3.87Å; I78-M84 HydrophobicContact CD1-CG 3.99Å; I78-M84 HydrophobicContact CD1-SD 4.35Å; I78-M84 HydrophobicContact CG1-CG 4.24Å; I78-M84 HydrophobicContact CG1-SD 4.2Å; I78-M84 HydrophobicContact CG2-CB 3.95Å; I78-M84 HydrophobicContact CG2-CG 4.15Å; N80-M84 WeakPolarHBondContact O-CB 3.34Å; N80-M84 PolarHBondContact O-N 2.86Å; W81-M84 PolarHBondContact O-N 2.85Å; W81-M84 VanDerWaalsContact O-N 3.12Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.93Å; M84-I87 HydrophobicContact CE-CG2 4.05Å; M84-I87 WeakPolarHBondContact O-CA 3.44Å; M84-I87 WeakPolarHBondContact O-CB 3.3Å; M84-I87 PolarHBondContact O-N 2.95Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CD1 4.49Å; M84-W88 HydrophobicContact CE-CD2 4.05Å; M84-W88 HydrophobicContact CE-CG 4.3Å; M84-W88 HydrophobicContact CE-CZ2 3.72Å; M84-W88 HydrophobicContact CG-CD2 4.05Å; M84-W88 HydrophobicContact CG-CE3 4.06Å; M84-W88 HydrophobicContact CG-CH2 3.85Å; M84-W88 HydrophobicContact CG-CZ2 3.79Å; M84-W88 HydrophobicContact CG-CZ3 3.98Å; M84-W88 PolarHBondContact O-N 3.31Å
85E98.3Very high97.9Very high47 Ų4740.4 Ų40.422%0.2220%0.199CC..Hα-helixtrans-59.8-39.8174.3-76.1-174.7-13200111.8W81 I87 W88 H89 I124W81-E85 WeakPolarHBondContact O-CG 2.99Å; W81-E85 PolarHBondContact O-N 2.88Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 3.18Å; E85-W88 PolarHBondContact O-N 3.39Å; E85-H89 WeakPolarHBondContact O-CB 3.4Å; E85-H89 PolarHBondContact O-N 3.46Å; E85-I124 HydrophobicContact CG-CD1 3.84Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.74Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.29Å
86K98.3Very high98.1Very high59 Ų5938.3 Ų38.326%0.25719%0.19SC..Hα-helixtrans-64.4-38.7173.4-67.3-178.9-160.475.30112.3V37 S54 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.19Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; S54-K86 WeakPolarHBondContact OG-CD 3.09Å; V56-K86 HydrophobicContact CG2-CB 4.17Å; D82-K86 WeakPolarHBondContact O-CG 3.39Å; D82-K86 PolarHBondContact O-NZ 3.47Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.73Å; D83-K86 PolarHBondContact OD1-NZ 3.41Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.93Å; K86-H90 WeakPolarHBondContact O-CB 3.24Å; K86-H90 PolarHBondContact O-N 3.15Å
87I98.6Very high98.2Very high0 Ų047.7 Ų47.70%022%0.221CC..Hα-helixtrans-62.1-49.4175.1-73.7178.7000110.4V19 F33 V37 V56 P72 D83 M84 E85 H89 H90 T91V19-I87 HydrophobicContact CG2-CG2 3.64Å; F33-I87 HydrophobicContact CE2-CG2 4.2Å; F33-I87 HydrophobicContact CZ-CG2 4.33Å; V37-I87 HydrophobicContact CG2-CD1 4.34Å; V37-I87 HydrophobicContact CG2-CG1 3.98Å; V56-I87 HydrophobicContact CG1-CG1 3.9Å; P72-I87 HydrophobicContact CG-CD1 3.31Å; P72-I87 HydrophobicContact CG-CG1 4.44Å; D83-I87 WeakPolarHBondContact O-CG1 3.47Å; D83-I87 PolarHBondContact O-N 3.22Å; D83-I87 VanDerWaalsContact O-N 3.07Å; M84-I87 HydrophobicContact CE-CG2 4.05Å; M84-I87 WeakPolarHBondContact O-CA 3.44Å; M84-I87 WeakPolarHBondContact O-CB 3.3Å; M84-I87 PolarHBondContact O-N 2.95Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CD1 4.49Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 3.18Å; I87-H89 PolarHBondContact O-N 3.28Å; I87-H90 WeakPolarHBondContact O-CB 3.07Å; I87-H90 PolarHBondContact O-N 3.33Å; I87-H90 VanDerWaalsContact O-N 3.17Å; I87-T91 PolarHBondContact O-N 3.46Å; I87-T91 PolarHBondContact O-OG1 3.36Å
88W98.7Very high98.2Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-65.1-39.8178.3-70.4-37.1000113.1N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3.41Å; I78-W88 HydrophobicContact CD1-CH2 4.27Å; I78-W88 HydrophobicContact CD1-CZ2 4.27Å; W81-W88 AromaticContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CZ3 4.34Å; M84-W88 HydrophobicContact CE-CD2 4.05Å; M84-W88 HydrophobicContact CE-CG 4.3Å; M84-W88 HydrophobicContact CE-CZ2 3.72Å; M84-W88 HydrophobicContact CG-CD2 4.05Å; M84-W88 HydrophobicContact CG-CE3 4.06Å; M84-W88 HydrophobicContact CG-CH2 3.85Å; M84-W88 HydrophobicContact CG-CZ2 3.79Å; M84-W88 HydrophobicContact CG-CZ3 3.98Å; M84-W88 PolarHBondContact O-N 3.31Å; E85-W88 PolarHBondContact O-N 3.39Å; W88-H90 VanDerWaalsContact C-N 3.29Å; W88-H90 PolarHBondContact O-N 3.1Å; W88-T91 WeakPolarHBondContact O-CB 3.05Å; W88-T91 PolarHBondContact O-N 2.87Å; W88-T91 VanDerWaalsContact O-N 3.15Å; W88-F92 HydrophobicContact CB-CD2 4.47Å; W88-F92 HydrophobicContact CB-CE2 4.11Å; W88-F92 WeakPolarHBondContact O-CD2 3.37Å; W88-F92 WeakPolarHBondContact O-CG 3.42Å; W88-F92 PolarHBondContact O-N 3.44Å; W88-L107 HydrophobicContact CZ2-CD1 4.47Å; W88-L107 HydrophobicContact CZ2-CD2 4.1Å; W88-M121 HydrophobicContact CH2-CB 4.31Å; W88-M121 HydrophobicContact CH2-CG 3.98Å; W88-M121 HydrophobicContact CZ2-CG 4.49Å; W88-I124 HydrophobicContact CE3-CG2 3.83Å; W88-I124 HydrophobicContact CZ3-CB 4.15Å; W88-I124 HydrophobicContact CZ3-CD1 3.97Å; W88-I124 HydrophobicContact CZ3-CG2 3.69Å; W88-M125 HydrophobicContact CB-CE 4.26Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.35Å; W88-M125 HydrophobicContact CG-CE 3.74Å; W88-M125 HydrophobicContact CH2-CE 4.03Å; W88-M125 HydrophobicContact CZ2-CE 4.02Å; W88-M125 HydrophobicContact CZ3-CE 3.73Å; W88-F129 HydrophobicContact CB-CE2 3.72Å; W88-F129 HydrophobicContact CB-CZ 3.66Å; W88-F129 HydrophobicContact CE3-CE2 4.06Å
89H98.4Very high98.2Very high95 Ų9548 Ų4844%0.4423%0.227SC..Hα-helixtrans-57.4-44.9171.8-177.2-65.3000111E85 I87 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.4Å; E85-H89 PolarHBondContact O-N 3.46Å; I87-H89 PolarHBondContact O-N 3.28Å; H89-F92 PolarHBondContact O-N 2.88Å; H89-Y93 HydrophobicContact CB-CD2 4.4Å; H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.67Å; H89-Y93 AromaticContact CE1-CD2 3.5Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.5Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.46Å; H89-Y93 AromaticContact CG-CD2 3.64Å; H89-Y93 AromaticContact ND1-CD2 3.59Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.81Å; H89-Y93 WeakPolarHBondContact O-CB 3.25Å; H89-Y93 VanDerWaalsContact O-CD2 3.27Å; H89-Y93 WeakPolarHBondContact O-CD2 3.37Å; H89-Y93 PolarHBondContact O-N 3.39Å; H89-F129 HydrophobicContact CB-CE1 4.07Å; H89-F129 HydrophobicContact CB-CZ 4.24Å
90H98.4Very high98.2Very high17 Ų1744.5 Ų44.58%0.07921%0.206CC..Iπ-helixtrans-62.3-43.5175-175.870.6000112F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.75Å; F33-H90 AromaticContact CZ-CD2 3.97Å; V56-H90 HydrophobicContact CB-CB 3.92Å; V56-H90 HydrophobicContact CG1-CB 3.63Å; V56-H90 HydrophobicContact CG2-CB 4.31Å; K86-H90 WeakPolarHBondContact O-CB 3.24Å; K86-H90 PolarHBondContact O-N 3.15Å; I87-H90 WeakPolarHBondContact O-CB 3.07Å; I87-H90 PolarHBondContact O-N 3.33Å; I87-H90 VanDerWaalsContact O-N 3.17Å; W88-H90 VanDerWaalsContact C-N 3.29Å; W88-H90 PolarHBondContact O-N 3.1Å; H90-F92 PolarHBondContact O-N 3.37Å; H90-N94 WeakPolarHBondContact ND1-CB 3.16Å; H90-N94 PolarHBondContact ND1-OD1 2.84Å; H90-N94 WeakPolarHBondContact O-CA 3.48Å; H90-N94 VanDerWaalsContact O-CB 3.27Å; H90-N94 WeakPolarHBondContact O-CB 3.18Å; H90-N94 PolarHBondContact O-N 2.87Å; H90-E95 IonicContact CE1-OE1 2.85Å; H90-E95 IonicContact NE2-OE1 2.77Å; H90-E95 PolarHBondContact NE2-OE1 3.33Å; H90-E95 PolarHBondContact O-N 3.35Å
91T98.7Very high98.2Very high0 Ų046.8 Ų46.80%022%0.215CC..Iπ-helixtrans-54.5-53.1175.2-52.90000111.6A21 F33 I87 W88 L96A21-T91 HydrophobicContact CB-CG2 3.26Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.29Å; I87-T91 PolarHBondContact O-N 3.46Å; I87-T91 PolarHBondContact O-OG1 3.36Å; W88-T91 WeakPolarHBondContact O-CB 3.05Å; W88-T91 PolarHBondContact O-N 2.87Å; W88-T91 VanDerWaalsContact O-N 3.15Å; T91-L96 HydrophobicContact CG2-CD1 4.19Å; T91-L96 HydrophobicContact CG2-CG 4.46Å; T91-L96 WeakPolarHBondContact O-CB 3.33Å; T91-L96 WeakPolarHBondContact O-CG 3.22Å; T91-L96 PolarHBondContact O-N 3.11Å
92F98.6Very high98.2Very high0 Ų050.1 Ų50.10%023%0.233CC..Iπ-helixtrans-71.9-51.5-175-62-51.7000112.3L10 W88 H89 H90 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.75Å; L10-F92 HydrophobicContact CD1-CE1 3.69Å; W88-F92 HydrophobicContact CB-CD2 4.47Å; W88-F92 HydrophobicContact CB-CE2 4.11Å; W88-F92 WeakPolarHBondContact O-CD2 3.37Å; W88-F92 WeakPolarHBondContact O-CG 3.42Å; W88-F92 PolarHBondContact O-N 3.44Å; H89-F92 PolarHBondContact O-N 2.88Å; H90-F92 PolarHBondContact O-N 3.37Å; F92-R97 WeakPolarHBondContact O-CA 3.31Å; F92-R97 PolarHBondContact O-N 3.09Å; F92-V98 PolarHBondContact O-N 2.8Å; F92-P100 HydrophobicContact CB-CB 4.43Å; F92-P100 HydrophobicContact CB-CG 4.31Å; F92-P100 HydrophobicContact CD1-CB 4.14Å; F92-P100 HydrophobicContact CD2-CB 3.86Å; F92-P100 HydrophobicContact CD2-CG 4.05Å; F92-P100 HydrophobicContact CE1-CB 4.34Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.9Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.3Å; F92-T105 HydrophobicContact CE1-CG2 4.32Å; F92-T105 HydrophobicContact CZ-CG2 4.14Å; F92-M125 HydrophobicContact CE2-CE 4.37Å; F92-M125 HydrophobicContact CE2-SD 4.35Å; F92-M125 HydrophobicContact CZ-CE 4.49Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; F92-F129 AromaticContact CD2-CD1 3.76Å; F92-F129 HydrophobicContact CD2-CD1 3.76Å; F92-F129 AromaticContact CD2-CE1 3.92Å; F92-F129 HydrophobicContact CD2-CE1 3.92Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.94Å; F92-F129 HydrophobicContact CE2-CD1 3.94Å; F92-F129 HydrophobicContact CE2-CD2 4.19Å; F92-F129 HydrophobicContact CE2-CE1 4.26Å; F92-F129 HydrophobicContact CE2-CE2 4.49Å; F92-F129 AromaticContact CE2-CG 3.91Å; F92-F129 HydrophobicContact CE2-CG 3.91Å
93Y98.2Very high98.2Very high93 Ų9346 Ų4637%0.36521%0.21SC..Iπ-helixtrans-91.4-27-167.3-62.5-73.3000114.4H89 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.4Å; H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.67Å; H89-Y93 AromaticContact CE1-CD2 3.5Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.5Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.46Å; H89-Y93 AromaticContact CG-CD2 3.64Å; H89-Y93 AromaticContact ND1-CD2 3.59Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.81Å; H89-Y93 WeakPolarHBondContact O-CB 3.25Å; H89-Y93 VanDerWaalsContact O-CD2 3.27Å; H89-Y93 WeakPolarHBondContact O-CD2 3.37Å; H89-Y93 PolarHBondContact O-N 3.39Å; Y93-P100 HydrophobicContact CE2-CG 4.39Å; Y93-P100 WeakPolarHBondContact OH-CD 3.38Å; Y93-F129 HydrophobicContact CE2-CE1 4.41Å
94N97.5Very high98.1Very high74 Ų7446.7 Ų46.740%0.39622%0.215SC..Iπ-helixtrans-100.2-51.4-178.1-64.694.8000112.3H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.16Å; H90-N94 PolarHBondContact ND1-OD1 2.84Å; H90-N94 WeakPolarHBondContact O-CA 3.48Å; H90-N94 VanDerWaalsContact O-CB 3.27Å; H90-N94 WeakPolarHBondContact O-CB 3.18Å; H90-N94 PolarHBondContact O-N 2.87Å; N94-R97 VanDerWaalsContact O-CG 3.29Å; N94-R97 WeakPolarHBondContact O-CG 3.05Å; N94-R97 PolarHBondContact O-NE 3.18Å
95E98.2Very high98.1Very high70 Ų7046.7 Ų46.733%0.32722%0.215SC..Iπ-helixtrans-80-55.2-173.4-64.8-59.112900111.5A31 F33 H90A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.24Å; F33-E95 HydrophobicContact CD1-CG 3.78Å; F33-E95 HydrophobicContact CE1-CB 4.45Å; F33-E95 HydrophobicContact CE1-CG 3.77Å; H90-E95 IonicContact CE1-OE1 2.85Å; H90-E95 IonicContact NE2-OE1 2.77Å; H90-E95 PolarHBondContact NE2-OE1 3.33Å; H90-E95 PolarHBondContact O-N 3.35Å
96L98Very high98.2Very high17 Ų1744.5 Ų44.59%0.08920%0.204CC..Iπ-helixtrans-84.4-27.6179.1-61.4-178.4000113.3L10 A21 R30 T91 V98L10-L96 HydrophobicContact CD1-CD1 4.23Å; L10-L96 HydrophobicContact CD2-CD1 3.95Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.33Å; A21-L96 HydrophobicContact CB-CG 4.33Å; R30-L96 HydrophobicContact CB-CD2 3.8Å; R30-L96 HydrophobicContact CG-CD2 4.48Å; T91-L96 HydrophobicContact CG2-CD1 4.19Å; T91-L96 HydrophobicContact CG2-CG 4.46Å; T91-L96 WeakPolarHBondContact O-CB 3.33Å; T91-L96 WeakPolarHBondContact O-CG 3.22Å; T91-L96 PolarHBondContact O-N 3.11Å; L96-V98 HydrophobicContact CB-CG1 4.42Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
97R98.1Very high98.2Very high209 Ų20941.7 Ų41.779%0.78919%0.192SC*.  trans57.346.6-178.4-52.9-179.3-177.4-175.62113.2F92 N94F92-R97 WeakPolarHBondContact O-CA 3.31Å; F92-R97 PolarHBondContact O-N 3.09Å; N94-R97 VanDerWaalsContact O-CG 3.29Å; N94-R97 WeakPolarHBondContact O-CG 3.05Å; N94-R97 PolarHBondContact O-NE 3.18Å
98V97.9Very high98.1Very high22 Ų2241.8 Ų41.813%0.13319%0.193CC..  trans-122.5160.4179.9-62.40000111.4L10 F23 F92 L96L10-V98 HydrophobicContact CD1-CG2 3.78Å; F23-V98 HydrophobicContact CE1-CG1 4.13Å; F23-V98 HydrophobicContact CZ-CG1 3.68Å; F92-V98 PolarHBondContact O-N 2.8Å; L96-V98 HydrophobicContact CB-CG1 4.42Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
99A97.8Very high98Very high25 Ų2542.2 Ų42.221%0.20720%0.195CC..  trans-89.2110.1169.700000108.9E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.3Å; A99-E101 PolarHBondContact O-N 2.82Å; A99-E101 VanDerWaalsContact O-N 3.12Å; A99-E102 HydrophobicContact CB-CG 4.09Å; A99-E102 PolarHBondContact O-N 3.13Å; A99-H103 PolarHBondContact O-CD2 3.08Å
100P97.9Very high97.9Very high0 Ų037.8 Ų37.80%017%0.174CC..G310 helixtrans-59.1-25.8-175.323.1-32.6000113.7F92 Y93 E102 H103 F129 V131F92-P100 HydrophobicContact CB-CB 4.43Å; F92-P100 HydrophobicContact CB-CG 4.31Å; F92-P100 HydrophobicContact CD1-CB 4.14Å; F92-P100 HydrophobicContact CD2-CB 3.86Å; F92-P100 HydrophobicContact CD2-CG 4.05Å; F92-P100 HydrophobicContact CE1-CB 4.34Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.9Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.3Å; Y93-P100 HydrophobicContact CE2-CG 4.39Å; Y93-P100 WeakPolarHBondContact OH-CD 3.38Å; P100-E102 PolarHBondContact O-N 2.77Å; P100-H103 PolarHBondContact O-N 2.85Å; P100-F129 HydrophobicContact CB-CB 4.15Å; P100-F129 HydrophobicContact CG-CB 4.09Å; P100-F129 HydrophobicContact CG-CD1 4.03Å; P100-V131 HydrophobicContact CB-CG1 4.19Å
101E97.8Very high97.7Very high95 Ų9537 Ų3744%0.44417%0.171SC..G310 helixtrans-64.9-13.6174.862.3-94.3-138.100114.6A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.3Å; A99-E101 PolarHBondContact O-N 2.82Å; A99-E101 VanDerWaalsContact O-N 3.12Å; E101-N130 WeakPolarHBondContact CA-O 3.45Å; E101-N130 HydrophobicContact CB-CB 4.03Å; E101-P132 WeakPolarHBondContact O-CD 3.46Å
102E97.5Very high97.4Very high117 Ų11741.8 Ų41.855%0.54720%0.196SC..G310 helixtrans-94.9-9.8177.3-61.6-178.8166.400112.6T7 A99 P100T7-E102 WeakPolarHBondContact CB-O 3.42Å; T7-E102 WeakPolarHBondContact CG2-O 3.35Å; T7-E102 PolarHBondContact OG1-O 3.3Å; A99-E102 HydrophobicContact CB-CG 4.09Å; A99-E102 PolarHBondContact O-N 3.13Å; P100-E102 PolarHBondContact O-N 2.77Å
103H97.8Very high97.3Very high24 Ų2442.7 Ų42.711%0.11120%0.201CC..SBendtrans-130124.5-168.5-62.9-85.1000114T8 L10 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 2.83Å; L10-H103 HydrophobicContact CD1-CB 3.83Å; L10-H103 HydrophobicContact CG-CB 3.76Å; A99-H103 PolarHBondContact O-CD2 3.08Å; P100-H103 PolarHBondContact O-N 2.85Å; H103-T105 PolarHBondContact O-N 2.76Å; H103-T105 PolarHBondContact O-OG1 3.34Å; H103-P132 WeakPolarHBondContact O-CD 3.4Å
104P97.9Very high97.2Very high17 Ų1741 Ų4111%0.1120%0.202CC..  trans-53.5138.8163.9-24.434.6000110.8A9 L10 P132 A133 W358A9-P104 CarbonylContact C-O 3.55Å; A9-P104 WeakPolarHBondContact CA-O 3.45Å; A9-P104 HydrophobicContact CB-CB 4.08Å; L10-P104 PolarHBondContact N-O 3Å; P104-P132 HydrophobicContact CG-CG 4.34Å; P104-A133 CarbonylContact C-O 3.54Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.46Å; P104-A133 HydrophobicContact CB-CB 4.14Å; P104-A133 HydrophobicContact CG-CB 4.46Å; P104-W358 HydrophobicContact CB-CD2 4.44Å; P104-W358 HydrophobicContact CB-CH2 4.26Å; P104-W358 HydrophobicContact CB-CZ2 4.15Å; P104-W358 HydrophobicContact CB-CZ3 4.46Å
105T98.5Very high97.2Very high0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-125.7119.5-174.9-62.70000112.3L10 F92 H103 L107 M125 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.49Å; F92-T105 HydrophobicContact CE1-CG2 4.32Å; F92-T105 HydrophobicContact CZ-CG2 4.14Å; H103-T105 PolarHBondContact O-N 2.76Å; H103-T105 PolarHBondContact O-OG1 3.34Å; T105-L107 HydrophobicContact CG2-CD2 4.49Å; T105-L107 HydrophobicContact CG2-CG 4.33Å; T105-M125 HydrophobicContact CG2-SD 4.41Å; T105-A133 PolarHBondContact N-O 3.5Å; T105-M134 WeakPolarHBondContact O-CA 3.41Å; T105-M134 VanDerWaalsContact O-CB 3.31Å; T105-M134 WeakPolarHBondContact O-CB 3.49Å; T105-Y135 PolarHBondContact O-N 2.8Å; T105-Y135 VanDerWaalsContact O-N 3.1Å
106L98.5Very high97.1Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-89.9121.4168.4-171.4151.4000109.7L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 3.42Å; V11-L106 HydrophobicContact CG1-CD2 4.18Å; V11-L106 HydrophobicContact CG2-CB 4.42Å; C12-L106 PolarHBondContact N-O 3.31Å; L106-T108 HydrophobicContact CD2-CG2 4.24Å; L106-Y135 CarbonylContact C-O 3.59Å; L106-Y135 WeakPolarHBondContact CA-O 3.41Å; L106-Y135 HydrophobicContact CD1-CD1 4.44Å; L106-A137 HydrophobicContact CD2-CB 4.3Å; L106-L142 HydrophobicContact CD2-CD1 4.11Å; L106-L348 HydrophobicContact CD1-CD2 4.18Å; L106-A349 HydrophobicContact CD1-CB 4.28Å; L106-F354 HydrophobicContact CD1-CE1 4.33Å; L106-F354 HydrophobicContact CD1-CZ 4.18Å; L106-W358 HydrophobicContact CB-CH2 3.87Å; L106-W358 HydrophobicContact CB-CZ3 4.11Å
107L98.5Very high97.1Very high0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-103.6147.8171.9-68.8164.2000110.2C12 N14 W88 T105 M121 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 3.8Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.37Å; W88-L107 HydrophobicContact CZ2-CD1 4.47Å; W88-L107 HydrophobicContact CZ2-CD2 4.1Å; T105-L107 HydrophobicContact CG2-CD2 4.49Å; T105-L107 HydrophobicContact CG2-CG 4.33Å; L107-M121 HydrophobicContact CD1-CB 4.36Å; L107-M125 HydrophobicContact CD1-CE 3.99Å; L107-M125 HydrophobicContact CD1-CG 3.54Å; L107-M125 HydrophobicContact CD1-SD 3.99Å; L107-M125 HydrophobicContact CD2-CE 4.14Å; L107-M134 HydrophobicContact CD1-CE 4.09Å; L107-Y135 PolarHBondContact N-O 3.01Å; L107-V136 HydrophobicContact CB-CG2 4.5Å; L107-V136 CarbonylContact O-C 3.52Å; L107-V136 WeakPolarHBondContact O-CA 3.27Å; L107-A137 PolarHBondContact O-N 3.4Å
108T97.8Very high97.1Very high2 Ų235.8 Ų35.81%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-101.3152172.2750000111.9C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 2.93Å; C12-T108 VanDerWaalsContact O-N 3.1Å; D13-T108 VanDerWaalsContact CA-OG1 3.28Å; D13-T108 WeakPolarHBondContact CA-OG1 3.44Å; D13-T108 HydrophobicContact CB-CG2 4.02Å; D13-T108 PolarHBondContact OD1-OG1 3.15Å; D13-T108 VanDerWaalsContact OD1-OG1 3.09Å; N14-T108 PolarHBondContact N-OG1 2.93Å; N14-T108 PolarHBondContact ND2-O 2.98Å; L106-T108 HydrophobicContact CD2-CG2 4.24Å; T108-A137 CarbonylContact C-O 3.19Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.31Å; T108-Q139 PolarHBondContact OG1-NE2 3.43Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; T108-V341 HydrophobicContact CG2-CG1 3.79Å
109E96.7Very high97.1Very high10 Ų1038 Ų385%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-134.9153171.667.7177.2-171.700113.1N113 R118 M121 V136 A137 I138 Q139E109-N113 HydrophobicContact CB-CB 4.25Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.09Å; E109-N113 PolarHBondContact OE2-ND2 2.88Å; E109-R118 WeakPolarHBondContact OE1-CD 3.41Å; E109-R118 IonicContact OE1-CZ 2.85Å; E109-R118 IonicContact OE1-NE 3.69Å; E109-R118 IonicContact OE1-NH1 3.6Å; E109-R118 PolarHBondContact OE1-NH1 3.14Å; E109-R118 WeakPolarHBondContact OE2-CD 3.48Å; E109-R118 WeakPolarHBondContact OE2-CG 3.41Å; E109-M121 HydrophobicContact CB-CE 4.29Å; E109-V136 HydrophobicContact CB-CG1 4Å; E109-V136 VanDerWaalsContact CD-CG1 3.41Å; E109-V136 HydrophobicContact CG-CG1 3.64Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.34Å; E109-A137 PolarHBondContact N-O 2.89Å; E109-I138 WeakPolarHBondContact O-CA 3.01Å; E109-Q139 WeakPolarHBondContact O-CG 3.22Å; E109-Q139 PolarHBondContact O-N 2.96Å
110A95.3Very high97.2Very high1 Ų139.9 Ų39.91%0.00820%0.204CC..  trans-64.5149.9167.700000110.5N113A110-N113 WeakPolarHBondContact O-CB 3.41Å; A110-N113 PolarHBondContact O-N 3.13Å
111P94.5Very high97.1Very high1 Ų140 Ų401%0.00621%0.205CC..THydrogen-bonded Turntrans-59149.1172.127.8-36.4000111N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 3.23Å; P111-I138 HydrophobicContact CB-CG2 4.13Å; P111-H163 HydrophobicContact CG-CB 3.83Å; P111-H163 WeakPolarHBondContact CG-CD2 3.43Å; P111-H163 VanDerWaalsContact CG-CG 3.42Å; P111-V165 HydrophobicContact CB-CG2 4.06Å; P111-V165 HydrophobicContact CG-CG2 3.8Å; P111-I177 HydrophobicContact CB-CD1 3.86Å; P111-I177 HydrophobicContact CB-CG2 4.18Å; P111-I177 HydrophobicContact CG-CG2 4.34Å
112L93.4Very high97.2Very high101 Ų10135.5 Ų35.553%0.52918%0.183SC..THydrogen-bonded Turntrans61.824.4-179-48.1175.4000114.3P174 I177L112-P174 HydrophobicContact CD2-CB 4.39Å; L112-I177 HydrophobicContact CD1-CB 4.3Å; L112-I177 HydrophobicContact CD1-CG2 4.02Å; L112-I177 HydrophobicContact CD2-CD1 4.15Å; L112-I177 HydrophobicContact CG-CD1 4.31Å; L112-I177 HydrophobicContact CG-CG2 4.28Å
113N95.6Very high97.2Very high18 Ų1832.6 Ų32.610%0.09617%0.17CC..  trans-57.3135.9174.5-168.932.5000111.1E109 A110 P111 K115E109-N113 HydrophobicContact CB-CB 4.25Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.09Å; E109-N113 PolarHBondContact OE2-ND2 2.88Å; A110-N113 WeakPolarHBondContact O-CB 3.41Å; A110-N113 PolarHBondContact O-N 3.13Å; P111-N113 PolarHBondContact O-N 3.23Å; N113-K115 PolarHBondContact O-N 3.28Å
114P96.5Very high97.3Very high59 Ų5931.5 Ų31.538%0.38317%0.165SC..  trans-55138.7178.2-29.436.5000112.9A116 N117 R118P114-A116 VanDerWaalsContact C-N 3.26Å; P114-A116 PolarHBondContact O-N 2.65Å; P114-N117 HydrophobicContact CB-CB 4.36Å; P114-N117 WeakPolarHBondContact O-CA 3.5Å; P114-N117 WeakPolarHBondContact O-CB 3.37Å; P114-N117 PolarHBondContact O-N 2.85Å; P114-R118 PolarHBondContact O-N 3.04Å
115K96.6Very high97.3Very high145 Ų14530.7 Ų30.763%0.6316%0.16SC*.Hα-helixtrans-56.1-40.3178.4-74.4-169.3175.2-174.60113N113 N117 R118 E119 H373N113-K115 PolarHBondContact O-N 3.28Å; K115-N117 PolarHBondContact O-N 3.43Å; K115-R118 WeakPolarHBondContact O-CB 3.2Å; K115-R118 PolarHBondContact O-N 2.85Å; K115-E119 PolarHBondContact O-N 3.32Å; K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.28Å; K115-H373 PolarHBondContact O-CE1 2.99Å
116A97.6Very high97.3Very high65 Ų6530.9 Ų30.954%0.53716%0.16SC..Hα-helixtrans-60.4-34.5176.100000112.2P114 E119 K120P114-A116 VanDerWaalsContact C-N 3.26Å; P114-A116 PolarHBondContact O-N 2.65Å; A116-E119 PolarHBondContact O-N 3.03Å; A116-K120 WeakPolarHBondContact O-CB 3.38Å; A116-K120 PolarHBondContact O-N 2.89Å
117N97.8Very high97.3Very high22 Ų2235.9 Ų35.912%0.11818%0.184CC..Hα-helixtrans-69.1-42176.5-75.825.1000111.1I77 I78 W81 P114 K115 E119 K120 M121I77-N117 WeakPolarHBondContact CG2-ND2 3.47Å; I78-N117 PolarHBondContact O-ND2 2.94Å; I78-N117 VanDerWaalsContact O-ND2 3.15Å; W81-N117 HydrophobicContact CH2-CB 4.23Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 3.39Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; P114-N117 HydrophobicContact CB-CB 4.36Å; P114-N117 WeakPolarHBondContact O-CA 3.5Å; P114-N117 WeakPolarHBondContact O-CB 3.37Å; P114-N117 PolarHBondContact O-N 2.85Å; K115-N117 PolarHBondContact O-N 3.43Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.27Å; N117-K120 PolarHBondContact O-N 3.19Å; N117-M121 WeakPolarHBondContact O-CG 3.28Å; N117-M121 PolarHBondContact O-N 2.89Å
118R97.4Very high97.3Very high27 Ų2739.1 Ų39.110%0.10220%0.204CC..Hα-helixtrans-58.7-45.3174.3-72.9176.457.9161.2-9112.5E109 P114 K115 K120 M121 T122 V372 C376E109-R118 WeakPolarHBondContact OE1-CD 3.41Å; E109-R118 IonicContact OE1-CZ 2.85Å; E109-R118 IonicContact OE1-NE 3.69Å; E109-R118 IonicContact OE1-NH1 3.6Å; E109-R118 PolarHBondContact OE1-NH1 3.14Å; E109-R118 WeakPolarHBondContact OE2-CD 3.48Å; E109-R118 WeakPolarHBondContact OE2-CG 3.41Å; P114-R118 PolarHBondContact O-N 3.04Å; K115-R118 WeakPolarHBondContact O-CB 3.2Å; K115-R118 PolarHBondContact O-N 2.85Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-M121 HydrophobicContact CG-CE 4.13Å; R118-M121 PolarHBondContact O-N 3.25Å; R118-T122 WeakPolarHBondContact O-CB 3.35Å; R118-T122 PolarHBondContact O-N 3.26Å; R118-T122 PolarHBondContact O-OG1 3.14Å; R118-V372 HydrophobicContact CB-CG1 3.84Å; R118-V372 HydrophobicContact CB-CG2 4.38Å; R118-V372 PolarHBondContact NH2-O 2.73Å; R118-C376 PolarHBondContact NH2-O 3.09Å
119E98.4Very high97.3Very high70 Ų7039.3 Ų39.333%0.32721%0.205SC..Hα-helixtrans-61.1-44.7174.7-71.9172.9-15500111K115 A116 N117 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 3.32Å; A116-E119 PolarHBondContact O-N 3.03Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.27Å; E119-T122 WeakPolarHBondContact O-CB 3.3Å; E119-T122 PolarHBondContact O-N 3.44Å; E119-T122 VanDerWaalsContact O-N 3.15Å; E119-Q123 WeakPolarHBondContact O-CB 3.45Å; E119-Q123 PolarHBondContact O-N 3.42Å; E119-P369 HydrophobicContact CB-CB 3.79Å; E119-P369 HydrophobicContact CG-CB 4.14Å; E119-V372 HydrophobicContact CG-CG1 4.39Å; E119-H373 WeakPolarHBondContact CG-NE2 3.4Å; E119-H373 IonicContact OE1-CD2 2.92Å; E119-H373 PolarHBondContact OE1-CD2 3.19Å; E119-H373 IonicContact OE1-CE1 3.3Å; E119-H373 IonicContact OE1-NE2 3.86Å; E119-H373 PolarHBondContact OE1-NE2 3.22Å
120K98.4Very high97.4Very high64 Ų6442.4 Ų42.428%0.27822%0.221SC..Hα-helixtrans-67.2-38.8-179.3-170.858.7179.2171.30113.2W81 A116 N117 R118 T122 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.22Å; W81-K120 HydrophobicContact CD2-CG 3.4Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.36Å; W81-K120 HydrophobicContact CE3-CG 3.65Å; W81-K120 HydrophobicContact CG-CG 3.91Å; W81-K120 HydrophobicContact CH2-CB 3.81Å; W81-K120 HydrophobicContact CH2-CG 4.02Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.14Å; W81-K120 HydrophobicContact CZ3-CG 3.92Å; A116-K120 WeakPolarHBondContact O-CB 3.38Å; A116-K120 PolarHBondContact O-N 2.89Å; N117-K120 PolarHBondContact O-N 3.19Å; R118-K120 VanDerWaalsContact C-N 3.35Å; K120-T122 VanDerWaalsContact C-N 3.29Å; K120-T122 PolarHBondContact O-N 2.78Å; K120-Q123 VanDerWaalsContact NZ-OE1 3.09Å; K120-Q123 PolarHBondContact O-N 3.4Å; K120-I124 HydrophobicContact CD-CD1 4.29Å; K120-I124 HydrophobicContact CD-CG1 4.46Å; K120-I124 HydrophobicContact CG-CD1 4.05Å; K120-I124 WeakPolarHBondContact O-CG1 3.24Å; K120-I124 PolarHBondContact O-N 3.18Å
121M97.8Very high97.5Very high2 Ų242.3 Ų42.31%0.0122%0.221CC..Hα-helixtrans-57.7-45.8170.3-65.6-166.6-73.500110.7I78 W81 W88 L107 E109 N117 R118 I124 M125 V136I78-M121 HydrophobicContact CD1-CG 4.11Å; I78-M121 HydrophobicContact CD1-SD 4.03Å; W81-M121 HydrophobicContact CH2-CG 3.56Å; W81-M121 HydrophobicContact CZ3-CB 4.48Å; W81-M121 HydrophobicContact CZ3-CG 3.73Å; W88-M121 HydrophobicContact CH2-CB 4.31Å; W88-M121 HydrophobicContact CH2-CG 3.98Å; W88-M121 HydrophobicContact CZ2-CG 4.49Å; L107-M121 HydrophobicContact CD1-CB 4.36Å; E109-M121 HydrophobicContact CB-CE 4.29Å; N117-M121 WeakPolarHBondContact O-CG 3.28Å; N117-M121 PolarHBondContact O-N 2.89Å; R118-M121 HydrophobicContact CG-CE 4.13Å; R118-M121 PolarHBondContact O-N 3.25Å; M121-I124 PolarHBondContact O-N 3.12Å; M121-M125 WeakPolarHBondContact O-CG 3.46Å; M121-M125 PolarHBondContact O-N 3.25Å; M121-V136 HydrophobicContact CE-CG1 3.76Å; M121-V136 HydrophobicContact CE-CG2 4.17Å
122T98.3Very high97.7Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-62.1-47.9-179-54.50000111.4R118 E119 K120 I124 M125 F126 M134 Y364 I371 V372R118-T122 WeakPolarHBondContact O-CB 3.35Å; R118-T122 PolarHBondContact O-N 3.26Å; R118-T122 PolarHBondContact O-OG1 3.14Å; E119-T122 WeakPolarHBondContact O-CB 3.3Å; E119-T122 PolarHBondContact O-N 3.44Å; E119-T122 VanDerWaalsContact O-N 3.15Å; K120-T122 VanDerWaalsContact C-N 3.29Å; K120-T122 PolarHBondContact O-N 2.78Å; T122-I124 PolarHBondContact O-N 3.36Å; T122-M125 PolarHBondContact O-N 3.4Å; T122-F126 HydrophobicContact CG2-CD2 3.9Å; T122-F126 HydrophobicContact CG2-CE2 3.92Å; T122-F126 WeakPolarHBondContact O-CD2 3.33Å; T122-F126 PolarHBondContact O-N 2.91Å; T122-M134 VanDerWaalsContact CA-SD 3.57Å; T122-M134 HydrophobicContact CG2-CE 4.43Å; T122-M134 HydrophobicContact CG2-SD 3.85Å; T122-Y364 HydrophobicContact CG2-CD2 3.85Å; T122-Y364 HydrophobicContact CG2-CE2 4.03Å; T122-I371 HydrophobicContact CG2-CG2 4.47Å; T122-V372 WeakPolarHBondContact OG1-CB 3.22Å
123Q98.5Very high97.9Very high56 Ų5640.3 Ų40.326%0.26222%0.215SC..Hα-helixtrans-55.9-50.7176.4-171.2-169.25.500111.6E119 K120 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.45Å; E119-Q123 PolarHBondContact O-N 3.42Å; K120-Q123 VanDerWaalsContact NZ-OE1 3.09Å; K120-Q123 PolarHBondContact O-N 3.4Å; Q123-M125 PolarHBondContact O-N 3.39Å; Q123-F126 PolarHBondContact O-N 3.18Å; Q123-E127 HydrophobicContact CG-CG 4.16Å; Q123-E127 VanDerWaalsContact CG-OE2 3.28Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.16Å; Q123-E127 PolarHBondContact NE2-OE2 3.19Å; Q123-E127 VanDerWaalsContact O-CB 3.25Å; Q123-E127 WeakPolarHBondContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.12Å; Q123-E127 PolarHBondContact O-N 3.37Å; Q123-P369 HydrophobicContact CB-CG 4.08Å; Q123-P369 HydrophobicContact CG-CG 4.43Å
124I98.5Very high98Very high2 Ų239.5 Ų39.51%0.0121%0.21CC..Hα-helixtrans-63.1-43.8-176.6-71.6165.2000111.5W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CD2-CD1 4.25Å; W81-I124 HydrophobicContact CE3-CD1 3.4Å; W81-I124 HydrophobicContact CZ3-CD1 3.97Å; E85-I124 HydrophobicContact CG-CD1 3.84Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.74Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.29Å; W88-I124 HydrophobicContact CE3-CG2 3.83Å; W88-I124 HydrophobicContact CZ3-CB 4.15Å; W88-I124 HydrophobicContact CZ3-CD1 3.97Å; W88-I124 HydrophobicContact CZ3-CG2 3.69Å; K120-I124 HydrophobicContact CD-CD1 4.29Å; K120-I124 HydrophobicContact CD-CG1 4.46Å; K120-I124 HydrophobicContact CG-CD1 4.05Å; K120-I124 WeakPolarHBondContact O-CG1 3.24Å; K120-I124 PolarHBondContact O-N 3.18Å; M121-I124 PolarHBondContact O-N 3.12Å; T122-I124 PolarHBondContact O-N 3.36Å; I124-F126 VanDerWaalsContact C-N 3.35Å; I124-F126 PolarHBondContact O-N 3.32Å; I124-T128 WeakPolarHBondContact O-CA 3.47Å; I124-T128 VanDerWaalsContact O-CB 3.23Å; I124-T128 WeakPolarHBondContact O-CB 3.33Å; I124-T128 PolarHBondContact O-N 2.83Å; I124-F129 HydrophobicContact CG2-CD2 3.75Å; I124-F129 HydrophobicContact CG2-CE2 3.6Å; I124-F129 PolarHBondContact O-N 2.95Å; I124-F129 VanDerWaalsContact O-N 3.1Å
125M98.6Very high98.1Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-61.6-43.2-179.1-73.1-64.5134.600111.9W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.26Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.35Å; W88-M125 HydrophobicContact CG-CE 3.74Å; W88-M125 HydrophobicContact CH2-CE 4.03Å; W88-M125 HydrophobicContact CZ2-CE 4.02Å; W88-M125 HydrophobicContact CZ3-CE 3.73Å; F92-M125 HydrophobicContact CE2-CE 4.37Å; F92-M125 HydrophobicContact CE2-SD 4.35Å; F92-M125 HydrophobicContact CZ-CE 4.49Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; T105-M125 HydrophobicContact CG2-SD 4.41Å; L107-M125 HydrophobicContact CD1-CE 3.99Å; L107-M125 HydrophobicContact CD1-CG 3.54Å; L107-M125 HydrophobicContact CD1-SD 3.99Å; L107-M125 HydrophobicContact CD2-CE 4.14Å; M121-M125 WeakPolarHBondContact O-CG 3.46Å; M121-M125 PolarHBondContact O-N 3.25Å; T122-M125 PolarHBondContact O-N 3.4Å; Q123-M125 PolarHBondContact O-N 3.39Å; M125-F129 HydrophobicContact CE-CD2 3.94Å; M125-F129 HydrophobicContact CE-CE2 4.2Å; M125-F129 CarbonylContact O-C 3.36Å; M125-F129 HydrophobicContact SD-CD2 4.26Å; M125-N130 PolarHBondContact O-N 2.66Å; M125-V131 HydrophobicContact CB-CG1 4.48Å; M125-V131 HydrophobicContact CB-CG2 3.81Å; M125-V131 PolarHBondContact O-N 2.81Å; M125-V131 VanDerWaalsContact O-N 3.07Å; M125-V131 HydrophobicContact SD-CG1 4.3Å; M125-M134 HydrophobicContact CB-CE 4.48Å; M125-M134 HydrophobicContact CB-SD 3.59Å; M125-M134 VanDerWaalsContact CB-SD 3.59Å; M125-M134 HydrophobicContact CG-CE 4.35Å; M125-M134 HydrophobicContact CG-SD 4.09Å
126F98.6Very high98.2Very high3 Ų330.9 Ų30.91%0.01317%0.167CC..Hα-helixtrans-80.3-43179.3-74.7-63.1000114T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.9Å; T122-F126 HydrophobicContact CG2-CE2 3.92Å; T122-F126 WeakPolarHBondContact O-CD2 3.33Å; T122-F126 PolarHBondContact O-N 2.91Å; Q123-F126 PolarHBondContact O-N 3.18Å; I124-F126 VanDerWaalsContact C-N 3.35Å; I124-F126 PolarHBondContact O-N 3.32Å; F126-N130 VanDerWaalsContact O-CA 3.27Å; F126-N130 WeakPolarHBondContact O-CA 3.44Å; F126-N130 PolarHBondContact O-N 3.09Å; F126-N130 PolarHBondContact O-OD1 3.08Å; F126-V131 HydrophobicContact CD1-CG2 4.08Å; F126-V131 VanDerWaalsContact CD1-O 3.28Å; F126-V131 WeakPolarHBondContact CD1-O 3.39Å; F126-V131 HydrophobicContact CE1-CG2 4.14Å; F126-V131 WeakPolarHBondContact CE1-O 3.2Å; F126-M134 HydrophobicContact CD2-CG 4.31Å; F126-M134 HydrophobicContact CD2-SD 3.93Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.63Å; F126-M134 HydrophobicContact CZ-CG 3.63Å; F126-M134 HydrophobicContact CZ-SD 4.32Å; F126-I359 HydrophobicContact CE2-CG2 3.91Å; F126-I359 HydrophobicContact CZ-CB 4.41Å; F126-I359 HydrophobicContact CZ-CG2 3.93Å; F126-I359 WeakPolarHBondContact CZ-O 3.39Å; F126-K361 HydrophobicContact CD1-CB 4.07Å; F126-K361 HydrophobicContact CD1-CG 4.14Å; F126-K361 VanDerWaalsContact CE1-CA 3.45Å; F126-K361 HydrophobicContact CE1-CB 3.9Å; F126-K361 HydrophobicContact CE1-CG 4.47Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.33Å; F126-Y364 HydrophobicContact CB-CE1 3.7Å; F126-Y364 HydrophobicContact CB-CE2 4.35Å; F126-Y364 HydrophobicContact CB-CG 3.97Å; F126-Y364 HydrophobicContact CD1-CG 4.42Å; F126-Y364 AromaticContact CD2-CD1 3.94Å; F126-Y364 HydrophobicContact CD2-CD1 3.94Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CE1 4.49Å; F126-Y364 AromaticContact CD2-CE2 3.93Å; F126-Y364 HydrophobicContact CD2-CE2 3.93Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.85Å; F126-Y364 HydrophobicContact CE2-CD2 3.85Å; F126-Y364 AromaticContact CE2-CG 3.81Å; F126-Y364 HydrophobicContact CE2-CG 3.81Å; F126-Y364 AromaticContact CG-CD1 3.81Å; F126-Y364 HydrophobicContact CG-CD1 3.81Å; F126-Y364 HydrophobicContact CG-CD2 4.07Å; F126-Y364 HydrophobicContact CG-CE1 4.33Å; F126-Y364 AromaticContact CG-CG 3.66Å; F126-Y364 HydrophobicContact CG-CG 3.66Å
127E98.4Very high98.2Very high105 Ų10528.1 Ų28.149%0.49114%0.144SC..Hα-helixtrans-85.2-41.9-173.1-64.1-179.1-173.800112.7Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.16Å; Q123-E127 VanDerWaalsContact CG-OE2 3.28Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.16Å; Q123-E127 PolarHBondContact NE2-OE2 3.19Å; Q123-E127 VanDerWaalsContact O-CB 3.25Å; Q123-E127 WeakPolarHBondContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.12Å; Q123-E127 PolarHBondContact O-N 3.37Å; E127-Y364 HydrophobicContact CG-CE1 4.14Å; E127-Y364 PolarHBondContact OE1-OH 3.14Å
128T98.4Very high98.1Very high69 Ų6927.9 Ų27.942%0.42314%0.143SC..THydrogen-bonded Turntrans-87.5-50.6-178.7-54.60000111.1I124I124-T128 WeakPolarHBondContact O-CA 3.47Å; I124-T128 VanDerWaalsContact O-CB 3.23Å; I124-T128 WeakPolarHBondContact O-CB 3.33Å; I124-T128 PolarHBondContact O-N 2.83Å
129F98.5Very high98.1Very high6 Ų627.2 Ų27.23%0.02614%0.141CC..SBendtrans-94.4-6.2-174.9-65.5-69.2000114.3W88 H89 F92 Y93 P100 I124 M125 V131W88-F129 HydrophobicContact CB-CE2 3.72Å; W88-F129 HydrophobicContact CB-CZ 3.66Å; W88-F129 HydrophobicContact CE3-CE2 4.06Å; H89-F129 HydrophobicContact CB-CE1 4.07Å; H89-F129 HydrophobicContact CB-CZ 4.24Å; F92-F129 AromaticContact CD2-CD1 3.76Å; F92-F129 HydrophobicContact CD2-CD1 3.76Å; F92-F129 AromaticContact CD2-CE1 3.92Å; F92-F129 HydrophobicContact CD2-CE1 3.92Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.94Å; F92-F129 HydrophobicContact CE2-CD1 3.94Å; F92-F129 HydrophobicContact CE2-CD2 4.19Å; F92-F129 HydrophobicContact CE2-CE1 4.26Å; F92-F129 HydrophobicContact CE2-CE2 4.49Å; F92-F129 AromaticContact CE2-CG 3.91Å; F92-F129 HydrophobicContact CE2-CG 3.91Å; Y93-F129 HydrophobicContact CE2-CE1 4.41Å; P100-F129 HydrophobicContact CB-CB 4.15Å; P100-F129 HydrophobicContact CG-CB 4.09Å; P100-F129 HydrophobicContact CG-CD1 4.03Å; I124-F129 HydrophobicContact CG2-CD2 3.75Å; I124-F129 HydrophobicContact CG2-CE2 3.6Å; I124-F129 PolarHBondContact O-N 2.95Å; I124-F129 VanDerWaalsContact O-N 3.1Å; M125-F129 HydrophobicContact CE-CD2 3.94Å; M125-F129 HydrophobicContact CE-CE2 4.2Å; M125-F129 CarbonylContact O-C 3.36Å; M125-F129 HydrophobicContact SD-CD2 4.26Å; F129-V131 HydrophobicContact CB-CG1 4.17Å; F129-V131 PolarHBondContact O-N 2.88Å; F129-V131 VanDerWaalsContact O-N 3.11Å
130N98.2Very high98.1Very high74 Ų7424 Ų2440%0.39613%0.125SC..  trans54.228.9176.2-71.4-72000115.1E101 M125 F126 K361E101-N130 WeakPolarHBondContact CA-O 3.45Å; E101-N130 HydrophobicContact CB-CB 4.03Å; M125-N130 PolarHBondContact O-N 2.66Å; F126-N130 VanDerWaalsContact O-CA 3.27Å; F126-N130 WeakPolarHBondContact O-CA 3.44Å; F126-N130 PolarHBondContact O-N 3.09Å; F126-N130 PolarHBondContact O-OD1 3.08Å; N130-K361 PolarHBondContact OD1-NZ 3.11Å; N130-K361 VanDerWaalsContact OD1-NZ 3.11Å
131V98.5Very high98Very high0 Ų021.7 Ų21.70%012%0.117CC..  trans-57.5141-179.6-55.20000110.5P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.19Å; M125-V131 HydrophobicContact CB-CG1 4.48Å; M125-V131 HydrophobicContact CB-CG2 3.81Å; M125-V131 PolarHBondContact O-N 2.81Å; M125-V131 VanDerWaalsContact O-N 3.07Å; M125-V131 HydrophobicContact SD-CG1 4.3Å; F126-V131 HydrophobicContact CD1-CG2 4.08Å; F126-V131 VanDerWaalsContact CD1-O 3.28Å; F126-V131 WeakPolarHBondContact CD1-O 3.39Å; F126-V131 HydrophobicContact CE1-CG2 4.14Å; F126-V131 WeakPolarHBondContact CE1-O 3.2Å; F129-V131 HydrophobicContact CB-CG1 4.17Å; F129-V131 PolarHBondContact O-N 2.88Å; F129-V131 VanDerWaalsContact O-N 3.11Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.38Å; V131-M134 HydrophobicContact CG2-CB 4.1Å
132P97.8Very high98Very high48 Ų4821.7 Ų21.731%0.31212%0.117SC..SBendtrans-71.1-29.7-178.227.9-34.2000111.9E101 H103 P104 K361E101-P132 WeakPolarHBondContact O-CD 3.46Å; H103-P132 WeakPolarHBondContact O-CD 3.4Å; P104-P132 HydrophobicContact CG-CG 4.34Å; P132-K361 PolarHBondContact O-N 2.91Å
133A98Very high98Very high12 Ų1221.7 Ų21.710%0.09912%0.117CC..EExtended strand (participates in β ladder)trans-156.4157.2177.300000111.1P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.54Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.46Å; P104-A133 HydrophobicContact CB-CB 4.14Å; P104-A133 HydrophobicContact CG-CB 4.46Å; T105-A133 PolarHBondContact N-O 3.5Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.38Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.4Å; A133-I359 CarbonylContact C-O 3.56Å; A133-I359 WeakPolarHBondContact CA-O 3.23Å; A133-I359 WeakPolarHBondContact CB-O 3.41Å
134M97.9Very high97.9Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-150163.6175.667.9169.7-7600114T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.41Å; T105-M134 VanDerWaalsContact O-CB 3.31Å; T105-M134 WeakPolarHBondContact O-CB 3.49Å; L107-M134 HydrophobicContact CD1-CE 4.09Å; T122-M134 VanDerWaalsContact CA-SD 3.57Å; T122-M134 HydrophobicContact CG2-CE 4.43Å; T122-M134 HydrophobicContact CG2-SD 3.85Å; M125-M134 HydrophobicContact CB-CE 4.48Å; M125-M134 HydrophobicContact CB-SD 3.59Å; M125-M134 VanDerWaalsContact CB-SD 3.59Å; M125-M134 HydrophobicContact CG-CE 4.35Å; M125-M134 HydrophobicContact CG-SD 4.09Å; F126-M134 HydrophobicContact CD2-CG 4.31Å; F126-M134 HydrophobicContact CD2-SD 3.93Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.63Å; F126-M134 HydrophobicContact CZ-CG 3.63Å; F126-M134 HydrophobicContact CZ-SD 4.32Å; V131-M134 HydrophobicContact CG2-CB 4.1Å; M134-V136 HydrophobicContact CE-CG2 3.64Å; M134-I359 HydrophobicContact CG-CB 4.47Å; M134-I359 PolarHBondContact N-O 3.48Å; M134-I359 WeakPolarHBondContact O-CB 3.35Å; M134-I359 PolarHBondContact O-N 3.31Å
135Y98.1Very high97.7Very high22 Ų2222.4 Ų22.49%0.08612%0.118CC..EExtended strand (participates in β ladder)trans-146.3147.3173.1-165.9-94.2000110T105 L106 L107 A137 F354 M357 K375 C376T105-Y135 PolarHBondContact O-N 2.8Å; T105-Y135 VanDerWaalsContact O-N 3.1Å; L106-Y135 CarbonylContact C-O 3.59Å; L106-Y135 WeakPolarHBondContact CA-O 3.41Å; L106-Y135 HydrophobicContact CD1-CD1 4.44Å; L107-Y135 PolarHBondContact N-O 3.01Å; Y135-A137 HydrophobicContact CD1-CB 4.07Å; Y135-A137 HydrophobicContact CE1-CB 3.99Å; Y135-F354 HydrophobicContact CD1-CE2 4.2Å; Y135-F354 AromaticContact CD1-CZ 3.65Å; Y135-F354 HydrophobicContact CD1-CZ 3.65Å; Y135-F354 HydrophobicContact CD2-CE2 4.35Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.12Å; Y135-F354 HydrophobicContact CE1-CZ 4.05Å; Y135-F354 HydrophobicContact CE2-CE2 4.28Å; Y135-F354 HydrophobicContact CE2-CZ 4.27Å; Y135-F354 HydrophobicContact CG-CE1 4.46Å; Y135-F354 HydrophobicContact CG-CE2 4.32Å; Y135-F354 AromaticContact CG-CZ 3.56Å; Y135-F354 HydrophobicContact CG-CZ 3.56Å; Y135-M357 HydrophobicContact CD2-CB 4.44Å; Y135-M357 WeakPolarHBondContact CD2-O 3.45Å; Y135-M357 HydrophobicContact CE2-CB 4.11Å; Y135-M357 HydrophobicContact CE2-CE 4.43Å; Y135-K375 WeakPolarHBondContact CE2-O 3.3Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.42Å; Y135-C376 HydrophobicContact CE2-CB 4.24Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å
136V97.9Very high97.6Very high2 Ų223.6 Ų23.61%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-115.1124.5173.9-179.20000108.6L107 E109 M121 M134 V372 C376L107-V136 HydrophobicContact CB-CG2 4.5Å; L107-V136 CarbonylContact O-C 3.52Å; L107-V136 WeakPolarHBondContact O-CA 3.27Å; E109-V136 HydrophobicContact CB-CG1 4Å; E109-V136 VanDerWaalsContact CD-CG1 3.41Å; E109-V136 HydrophobicContact CG-CG1 3.64Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.34Å; M121-V136 HydrophobicContact CE-CG1 3.76Å; M121-V136 HydrophobicContact CE-CG2 4.17Å; M134-V136 HydrophobicContact CE-CG2 3.64Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; V136-C376 HydrophobicContact CB-CB 4.48Å; V136-C376 PolarHBondContact N-SG 2.9Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.3Å
137A97.2Very high97.4Very high7 Ų724.5 Ų24.56%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-124.2143.9-178.500000112.4L106 L107 T108 E109 Y135 Q139 L142L106-A137 HydrophobicContact CD2-CB 4.3Å; L107-A137 PolarHBondContact O-N 3.4Å; T108-A137 CarbonylContact C-O 3.19Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.31Å; E109-A137 PolarHBondContact N-O 2.89Å; Y135-A137 HydrophobicContact CD1-CB 4.07Å; Y135-A137 HydrophobicContact CE1-CB 3.99Å; A137-Q139 PolarHBondContact O-N 3.47Å; A137-L142 HydrophobicContact CB-CD1 3.89Å; A137-L142 HydrophobicContact CB-CD2 3.82Å; A137-L142 HydrophobicContact CB-CG 3.93Å
138I96.9Very high97.2Very high17 Ų1723 Ų239%0.08715%0.146CC..EExtended strand (participates in β ladder)trans-70.4126.8177.4-60.9172.1000109.5E109 P111 A140 V141 L142 A172E109-I138 WeakPolarHBondContact O-CA 3.01Å; P111-I138 HydrophobicContact CB-CG2 4.13Å; I138-A140 VanDerWaalsContact C-N 3.3Å; I138-A140 HydrophobicContact CG2-CB 4.36Å; I138-A140 PolarHBondContact O-N 3.26Å; I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.93Å; I138-V141 HydrophobicContact CG2-CG2 4.19Å; I138-V141 PolarHBondContact O-N 3.18Å; I138-L142 PolarHBondContact O-N 3.11Å; I138-A172 HydrophobicContact CD1-CB 4.13Å
139Q97.8Very high97.1Very high13 Ų1322.6 Ų22.66%0.06114%0.137CC..Hα-helixtrans-50.9-47.4-177.3-73.5175.6-34.500112.9D13 N14 T108 E109 A137 V141 L142 S143 V341D13-Q139 PolarHBondContact OD1-NE2 3.17Å; N14-Q139 PolarHBondContact O-NE2 2.99Å; T108-Q139 PolarHBondContact OG1-NE2 3.43Å; E109-Q139 WeakPolarHBondContact O-CG 3.22Å; E109-Q139 PolarHBondContact O-N 2.96Å; A137-Q139 PolarHBondContact O-N 3.47Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 2.82Å; Q139-L142 PolarHBondContact O-N 3.07Å; Q139-S143 PolarHBondContact O-N 3.45Å; Q139-S143 PolarHBondContact O-OG 3.09Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.93Å; Q139-V341 HydrophobicContact CG-CG1 3.76Å; Q139-V341 HydrophobicContact CG-CG2 4.41Å
140A97.4Very high97Very high1 Ų126 Ų261%0.00816%0.158CC..Hα-helixtrans-63.4-36.818000000113.3I138 S143 L144 V154 V165I138-A140 VanDerWaalsContact C-N 3.3Å; I138-A140 HydrophobicContact CG2-CB 4.36Å; I138-A140 PolarHBondContact O-N 3.26Å; A140-S143 PolarHBondContact O-N 3.38Å; A140-L144 PolarHBondContact O-N 3.39Å; A140-V154 HydrophobicContact CB-CB 4.07Å; A140-V154 HydrophobicContact CB-CG1 4.03Å; A140-V154 WeakPolarHBondContact O-CG2 3.42Å; A140-V165 HydrophobicContact CB-CB 3.56Å; A140-V165 HydrophobicContact CB-CG1 4Å; A140-V165 HydrophobicContact CB-CG2 3.49Å; A140-V165 VanDerWaalsContact CB-CG2 3.49Å
141V97.3Very high97Very high17 Ų1723.4 Ų23.410%0.10315%0.146CC..Hα-helixtrans-65.2-43.9177.6177.60000110.3I138 Q139 S143 L144 Y145 I167 A172I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.93Å; I138-V141 HydrophobicContact CG2-CG2 4.19Å; I138-V141 PolarHBondContact O-N 3.18Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 2.82Å; V141-S143 PolarHBondContact O-N 3.15Å; V141-L144 WeakPolarHBondContact O-CB 3.04Å; V141-L144 PolarHBondContact O-N 2.94Å; V141-Y145 HydrophobicContact CG1-CD2 4.09Å; V141-Y145 HydrophobicContact CG1-CE2 3.57Å; V141-Y145 WeakPolarHBondContact O-CD2 3.44Å; V141-Y145 PolarHBondContact O-N 3.3Å; V141-Y145 VanDerWaalsContact O-N 3.09Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.03Å; V141-I167 HydrophobicContact CG2-CG1 4.14Å; V141-A172 HydrophobicContact CG2-CB 3.99Å
142L97.7Very high97Very high1 Ų123.4 Ų23.41%0.00515%0.146CC..Hα-helixtrans-61.4-43.8174.6-60.9-179.5000111.7L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.11Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; A137-L142 HydrophobicContact CB-CD1 3.89Å; A137-L142 HydrophobicContact CB-CD2 3.82Å; A137-L142 HydrophobicContact CB-CG 3.93Å; I138-L142 PolarHBondContact O-N 3.11Å; Q139-L142 PolarHBondContact O-N 3.07Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 2.88Å; L142-Y145 WeakPolarHBondContact O-CB 3.39Å; L142-Y145 PolarHBondContact O-N 2.9Å; L142-Y145 VanDerWaalsContact O-N 3.1Å; L142-A146 PolarHBondContact O-N 3.01Å; L142-V341 WeakPolarHBondContact CB-O 3.4Å; L142-V341 HydrophobicContact CD1-CG1 4.28Å; L142-G344 VanDerWaalsContact O-CA 3.29Å; L142-G344 WeakPolarHBondContact O-CA 3.31Å; L142-L348 HydrophobicContact CD2-CB 4.32Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å
143S97.8Very high97Very high0 Ų021.2 Ų21.20%013%0.131CC..Hα-helixtrans-61.2-33.9176.8-70.90000113.6Q139 A140 V141 S147 S302 S340 V341Q139-S143 PolarHBondContact O-N 3.45Å; Q139-S143 PolarHBondContact O-OG 3.09Å; A140-S143 PolarHBondContact O-N 3.38Å; V141-S143 PolarHBondContact O-N 3.15Å; S143-S147 PolarHBondContact O-N 2.77Å; S143-S302 WeakPolarHBondContact CB-OG 3.41Å; S143-S302 PolarHBondContact OG-OG 3.39Å; S143-S340 WeakPolarHBondContact OG-CB 3.41Å; S143-V341 WeakPolarHBondContact OG-CG2 3.32Å; S143-V341 PolarHBondContact OG-N 3.42Å
144L97.3Very high97Very high1 Ų120.6 Ų20.61%0.00513%0.126CC..Hα-helixtrans-66.7-44.8173.2-170.368.6000111.1A140 V141 L142 A146 S147 R149 V154 I167 V300A140-L144 PolarHBondContact O-N 3.39Å; V141-L144 WeakPolarHBondContact O-CB 3.04Å; V141-L144 PolarHBondContact O-N 2.94Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 2.88Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.33Å; L144-S147 WeakPolarHBondContact O-CA 3.48Å; L144-S147 WeakPolarHBondContact O-CB 3.31Å; L144-S147 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-OG 3.35Å; L144-R149 CarbonylContact C-O 3.57Å; L144-R149 HydrophobicContact CD1-CB 3.72Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 WeakPolarHBondContact CG-O 3.5Å; L144-R149 PolarHBondContact O-N 2.77Å; L144-V154 HydrophobicContact CB-CG2 3.82Å; L144-V154 HydrophobicContact CD1-CG2 4.04Å; L144-V154 HydrophobicContact CG-CG2 4.45Å; L144-I167 HydrophobicContact CB-CD1 3.93Å; L144-I167 HydrophobicContact CD2-CB 3.68Å; L144-I167 HydrophobicContact CD2-CD1 3.82Å; L144-I167 HydrophobicContact CD2-CG1 4.38Å; L144-I167 HydrophobicContact CD2-CG2 3.57Å; L144-I167 HydrophobicContact CG-CD1 4.45Å; L144-V300 HydrophobicContact CD1-CB 4.45Å; L144-V300 HydrophobicContact CD1-CG2 3.79Å
145Y94.2Very high97.1Very high72 Ų7220.9 Ų20.928%0.28213%0.128SC..Hα-helixtrans-60.7-40.1176.5-72-40.1000112.8V141 L142 S147 G148 R149 T150 G170 L348V141-Y145 HydrophobicContact CG1-CD2 4.09Å; V141-Y145 HydrophobicContact CG1-CE2 3.57Å; V141-Y145 WeakPolarHBondContact O-CD2 3.44Å; V141-Y145 PolarHBondContact O-N 3.3Å; V141-Y145 VanDerWaalsContact O-N 3.09Å; L142-Y145 WeakPolarHBondContact O-CB 3.39Å; L142-Y145 PolarHBondContact O-N 2.9Å; L142-Y145 VanDerWaalsContact O-N 3.1Å; Y145-S147 PolarHBondContact O-N 3.03Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; Y145-G148 WeakPolarHBondContact O-CA 3.18Å; Y145-G148 PolarHBondContact O-N 3.25Å; Y145-R149 WeakPolarHBondContact CD1-O 3.39Å; Y145-T150 HydrophobicContact CE1-CG2 4.21Å; Y145-G170 WeakPolarHBondContact OH-CA 3.27Å; Y145-L348 HydrophobicContact CE2-CD1 4.45Å
146A96Very high97.1Very high25 Ų2520.3 Ų20.321%0.20713%0.126CC..Hα-helixtrans-57.6-28.5174.400000112.6L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 3.01Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.33Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 3.08Å; A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.49Å; A146-I343 HydrophobicContact CB-CB 4.15Å; A146-I343 HydrophobicContact CB-CG2 3.93Å
147S94.9Very high97.1Very high23 Ų2320.4 Ų20.416%0.16113%0.127CC..THydrogen-bonded Turntrans-83.8-0.2175.685.50000114.2S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 2.77Å; L144-S147 WeakPolarHBondContact O-CA 3.48Å; L144-S147 WeakPolarHBondContact O-CB 3.31Å; L144-S147 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-OG 3.35Å; Y145-S147 PolarHBondContact O-N 3.03Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact O-NH1 3.13Å; S147-R149 PolarHBondContact OG-NH1 3.33Å
148G94.4Very high97.1Very high72 Ų7221.2 Ų21.274%0.74214%0.136SC*.THydrogen-bonded Turntrans73.531.8-176.300000113.7Y145 A146Y145-G148 WeakPolarHBondContact O-CA 3.18Å; Y145-G148 PolarHBondContact O-N 3.25Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 3.08Å
149R95.8Very high97.2Very high61 Ų6122.2 Ų22.223%0.2314%0.141CC..  trans-126.3152.5-177.4-69.3174.7179.267.115.9111.4L144 Y145 S147 N298 I332L144-R149 CarbonylContact C-O 3.57Å; L144-R149 HydrophobicContact CD1-CB 3.72Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 WeakPolarHBondContact CG-O 3.5Å; L144-R149 PolarHBondContact O-N 2.77Å; Y145-R149 WeakPolarHBondContact CD1-O 3.39Å; S147-R149 PolarHBondContact O-NH1 3.13Å; S147-R149 PolarHBondContact OG-NH1 3.33Å; R149-N298 WeakPolarHBondContact CD-OD1 3.4Å; R149-N298 PolarHBondContact NE-OD1 2.96Å; R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.28Å
150T95.3Very high97.1Very high77 Ų7721.6 Ų21.647%0.47214%0.139SC..SBendtrans-115.7-19173.9560000112.3Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.21Å; T150-E169 PolarHBondContact O-N 3.31Å; T150-E169 VanDerWaalsContact O-N 3.14Å; T150-G170 PolarHBondContact O-N 3.07Å
151T98Very high97.1Very high21 Ų2122 Ų2213%0.12914%0.141CC..SBendtrans-127.4132.8176.9-61.40000110.1I167 Y168 E169 D294T151-I167 WeakPolarHBondContact CA-O 3.27Å; T151-Y168 HydrophobicContact CG2-CD2 3.67Å; T151-Y168 HydrophobicContact CG2-CE2 4.26Å; T151-E169 PolarHBondContact OG1-N 2.98Å; T151-D294 HydrophobicContact CG2-CB 3.81Å
152G98.4Very high97.2Very high0 Ų021.2 Ų21.20%014%0.136CC..EExtended strand (participates in β ladder)trans162.8178.7-179.600000111.9I167 L295 N298G152-I167 PolarHBondContact N-O 2.7Å; G152-I167 PolarHBondContact O-N 3.36Å; G152-I167 VanDerWaalsContact O-O 3.05Å; G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.32Å; G152-L295 WeakPolarHBondContact O-CD2 3.43Å; G152-N298 CarbonylContact C-O 3.6Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.35Å
153I98.7Very high97.2Very high1 Ų121.1 Ų21.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-112.6134.6170.3-173.3164000109.1N164 P166 T280 S283 I284 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.34Å; I153-P166 HydrophobicContact CD1-CB 4.5Å; I153-T280 HydrophobicContact CD1-CG2 3.84Å; I153-T280 HydrophobicContact CG1-CG2 4.43Å; I153-T280 HydrophobicContact CG2-CG2 4.21Å; I153-S283 WeakPolarHBondContact CD1-OG 2.83Å; I153-I284 HydrophobicContact CD1-CD1 4.32Å; I153-I284 HydrophobicContact CD1-CG1 3.68Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.42Å; I153-N298 PolarHBondContact N-O 3.17Å; I153-N299 HydrophobicContact CG2-CB 4.14Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.36Å; I153-N299 CarbonylContact O-C 3.58Å; I153-N299 WeakPolarHBondContact O-CA 3.48Å; I153-V300 PolarHBondContact O-N 3.04Å
154V98.7Very high97.3Very high0 Ų021.2 Ų21.20%014%0.136CC..EExtended strand (participates in β ladder)trans-108.1120.7178.6178.10000109A140 L144 D156 N164 V165 I167 V300A140-V154 HydrophobicContact CB-CB 4.07Å; A140-V154 HydrophobicContact CB-CG1 4.03Å; A140-V154 WeakPolarHBondContact O-CG2 3.42Å; L144-V154 HydrophobicContact CB-CG2 3.82Å; L144-V154 HydrophobicContact CD1-CG2 4.04Å; L144-V154 HydrophobicContact CG-CG2 4.45Å; V154-D156 HydrophobicContact CG1-CB 4.1Å; V154-N164 WeakPolarHBondContact O-CA 3.34Å; V154-V165 PolarHBondContact N-O 3.23Å; V154-V165 PolarHBondContact O-N 3.5Å; V154-I167 HydrophobicContact CG2-CD1 3.82Å; V154-V300 WeakPolarHBondContact CA-O 3.35Å; V154-V300 HydrophobicContact CG2-CB 4.23Å
155L98.7Very high97.3Very high6 Ų621.1 Ų21.13%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-90.197.6162.6171.460.4000107.3T162 H163 N164 I276 V300 L301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.43Å; L155-T162 VanDerWaalsContact CD1-CG2 3.43Å; L155-H163 WeakPolarHBondContact CA-O 3.44Å; L155-N164 VanDerWaalsContact CD1-OD1 3.28Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.4Å; L155-I276 HydrophobicContact CD1-CB 4.23Å; L155-I276 HydrophobicContact CD1-CG2 4.3Å; L155-I276 HydrophobicContact CD2-CB 4.14Å; L155-I276 HydrophobicContact CD2-CD1 3.88Å; L155-I276 HydrophobicContact CD2-CG1 4.45Å; L155-V300 PolarHBondContact N-O 3.16Å; L155-L301 HydrophobicContact CB-CD2 3.96Å; L155-L301 HydrophobicContact CD2-CD2 3.88Å; L155-L301 HydrophobicContact CG-CD2 4.29Å; L155-S302 PolarHBondContact O-N 2.66Å; L155-M315 HydrophobicContact CD2-CE 3.64Å; L155-M315 HydrophobicContact CD2-SD 4.15Å
156D98.3Very high97.5Very high9 Ų917.7 Ų17.75%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-98.8116.2175.3-174.759.9000109.8V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.1Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.07Å; D156-H163 PolarHBondContact N-O 3.28Å; D156-H163 PolarHBondContact O-N 3.18Å; D156-S302 WeakPolarHBondContact CA-O 3.19Å; D156-S302 WeakPolarHBondContact OD1-CB 3.41Å; D156-S302 PolarHBondContact OD1-OG 3.31Å
157S98.5Very high97.6Very high4 Ų416.5 Ų16.53%0.02811%0.113CC..EExtended strand (participates in β ladder)trans-127.9105.6-179.9-1700000110.8T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.22Å; S157-T162 PolarHBondContact OG-OG1 2.91Å; S157-S302 PolarHBondContact N-O 2.83Å; S157-G303 CarbonylContact O-C 3.6Å; S157-G303 WeakPolarHBondContact O-CA 3.31Å; S157-G304 PolarHBondContact O-N 3.01Å; S157-T305 WeakPolarHBondContact O-CB 3.16Å; S157-T305 PolarHBondContact O-N 2.94Å; S157-T305 VanDerWaalsContact OG-CB 3.27Å; S157-T305 WeakPolarHBondContact OG-CB 3.45Å; S157-T305 VanDerWaalsContact OG-CG2 3.28Å; S157-T305 WeakPolarHBondContact OG-CG2 3.42Å
158G97.8Very high97.8Very high24 Ų2419 Ų1925%0.24712%0.119CC..  trans-92.9-149.8-177.500000113.3V161 A183 G184 T305G158-V161 PolarHBondContact N-O 3.39Å; G158-A183 WeakPolarHBondContact O-CB 3.42Å; G158-G184 PolarHBondContact O-N 2.88Å; G158-T305 PolarHBondContact O-OG1 2.67Å
159D97.7Very high97.8Very high38 Ų3821.4 Ų21.420%0.20311%0.111CC..SBendtrans-81.4-39.3172-178.561.9000112.1A183 G184 R185D159-A183 CarbonylContact O-C 3.49Å; D159-A183 WeakPolarHBondContact O-CB 3.28Å; D159-G184 PolarHBondContact O-N 3.46Å; D159-G184 VanDerWaalsContact O-N 3.13Å; D159-R185 VanDerWaalsContact O-CB 3.23Å; D159-R185 WeakPolarHBondContact O-CB 3.31Å; D159-R185 PolarHBondContact O-N 3.42Å; D159-R185 PolarHBondContact OD1-N 3.27Å; D159-R185 IonicContact OD2-CZ 2.99Å; D159-R185 IonicContact OD2-NE 2.84Å; D159-R185 PolarHBondContact OD2-NE 3.06Å; D159-R185 IonicContact OD2-NH2 3.14Å; D159-R185 PolarHBondContact OD2-NH2 3.04Å
160G96.8Very high97.7Very high1 Ų119.1 Ų19.11%0.0111%0.106CC..SBendtrans-106.3-17.7-171.400000116H75H75-G160 WeakPolarHBondContact CA-O 3.47Å; H75-G160 PolarHBondContact CD2-O 3.41Å
161V97.8Very high97.7Very high8 Ų822.8 Ų22.85%0.04811%0.113CC..  trans-158.9152.9-174.160.10000111.3H75 G158 H163 R179H75-V161 HydrophobicContact CB-CB 4.21Å; G158-V161 PolarHBondContact N-O 3.39Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.08Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.48Å; V161-H163 WeakPolarHBondContact CG2-NE2 3.43Å; V161-R179 HydrophobicContact CG2-CG 3.99Å
162T98.6Very high97.6Very high1 Ų122.7 Ų22.71%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-117.5135171.9-61.70000110.6L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.43Å; L155-T162 VanDerWaalsContact CD1-CG2 3.43Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.07Å; S157-T162 WeakPolarHBondContact CB-OG1 3.22Å; S157-T162 PolarHBondContact OG-OG1 2.91Å; T162-L180 PolarHBondContact N-O 2.93Å; T162-L180 PolarHBondContact O-N 3.1Å; T162-L182 WeakPolarHBondContact CB-O 3.25Å; T162-L182 PolarHBondContact OG1-O 2.92Å; T162-I276 HydrophobicContact CG2-CG2 3.92Å
163H98.2Very high97.6Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-129.3139.9177.8-58.8105.6000111.4P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 3.83Å; P111-H163 WeakPolarHBondContact CG-CD2 3.43Å; P111-H163 VanDerWaalsContact CG-CG 3.42Å; L155-H163 WeakPolarHBondContact CA-O 3.44Å; D156-H163 PolarHBondContact N-O 3.28Å; D156-H163 PolarHBondContact O-N 3.18Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.08Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.48Å; V161-H163 WeakPolarHBondContact CG2-NE2 3.43Å; H163-V165 HydrophobicContact CB-CG2 3.94Å; H163-M178 CarbonylContact C-O 3.45Å; H163-M178 WeakPolarHBondContact CA-O 3.31Å
164N98.5Very high97.4Very high1 Ų128.2 Ų28.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-107.9113.4161.9-65.8-70.1000108.5I153 V154 L155 I177 M178 T279 T280I153-N164 HydrophobicContact CD1-CB 4.34Å; V154-N164 WeakPolarHBondContact O-CA 3.34Å; L155-N164 VanDerWaalsContact CD1-OD1 3.28Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.4Å; N164-I177 WeakPolarHBondContact O-CA 3.5Å; N164-M178 HydrophobicContact CB-CB 4.22Å; N164-M178 PolarHBondContact N-O 2.92Å; N164-M178 PolarHBondContact O-N 2.94Å; N164-T279 WeakPolarHBondContact ND2-CB 3.46Å; N164-T279 PolarHBondContact ND2-OG1 3.32Å; N164-T280 PolarHBondContact ND2-N 2.86Å; N164-T280 PolarHBondContact OD1-OG1 2.86Å
165V98.5Very high97.4Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-119.3107.2-174.8-172.50000108.9P111 A140 V154 H163 I167 A172 I177P111-V165 HydrophobicContact CB-CG2 4.06Å; P111-V165 HydrophobicContact CG-CG2 3.8Å; A140-V165 HydrophobicContact CB-CB 3.56Å; A140-V165 HydrophobicContact CB-CG1 4Å; A140-V165 HydrophobicContact CB-CG2 3.49Å; A140-V165 VanDerWaalsContact CB-CG2 3.49Å; V154-V165 PolarHBondContact N-O 3.23Å; V154-V165 PolarHBondContact O-N 3.5Å; H163-V165 HydrophobicContact CB-CG2 3.94Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 3.99Å; V165-A172 HydrophobicContact CG1-CB 3.84Å; V165-I177 HydrophobicContact CG1-CD1 4.09Å; V165-I177 HydrophobicContact CG1-CG1 4.14Å; V165-I177 HydrophobicContact CG2-CG2 4.31Å
166P98.6Very high97.3Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-78.1132.4171.728.5-24.7000109.1I153 L173 A176 S283 C287 L295I153-P166 HydrophobicContact CD1-CB 4.5Å; P166-L173 HydrophobicContact CB-CD1 4.36Å; P166-L173 HydrophobicContact CG-CB 4.19Å; P166-L173 PolarHBondContact O-N 3.45Å; P166-A176 HydrophobicContact CG-CB 3.55Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.32Å; P166-S283 WeakPolarHBondContact CG-OG 3.32Å; P166-C287 VanDerWaalsContact CB-SG 3.55Å; P166-L295 HydrophobicContact CB-CD1 4.1Å; P166-L295 HydrophobicContact CB-CD2 4.31Å
167I98.5Very high97.3Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-130.1132.7-174.3-59.9155.3000107.6V141 L144 T151 G152 V154 V165 Y171 A172V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4.03Å; V141-I167 HydrophobicContact CG2-CG1 4.14Å; L144-I167 HydrophobicContact CB-CD1 3.93Å; L144-I167 HydrophobicContact CD2-CB 3.68Å; L144-I167 HydrophobicContact CD2-CD1 3.82Å; L144-I167 HydrophobicContact CD2-CG1 4.38Å; L144-I167 HydrophobicContact CD2-CG2 3.57Å; L144-I167 HydrophobicContact CG-CD1 4.45Å; T151-I167 WeakPolarHBondContact CA-O 3.27Å; G152-I167 PolarHBondContact N-O 2.7Å; G152-I167 PolarHBondContact O-N 3.36Å; G152-I167 VanDerWaalsContact O-O 3.05Å; V154-I167 HydrophobicContact CG2-CD1 3.82Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 3.99Å; I167-Y171 CarbonylContact C-O 3.32Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.28Å; I167-A172 HydrophobicContact CG1-CB 4.39Å
168Y97.7Very high97.3Very high76 Ų7635.4 Ų35.430%0.29818%0.181SC..EExtended strand (participates in β ladder)trans-129.9124178.3-177.2-95.8000109.4T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.67Å; T151-Y168 HydrophobicContact CG2-CE2 4.26Å; Y168-G170 PolarHBondContact O-N 3.14Å; Y168-G170 VanDerWaalsContact O-N 3.11Å; Y168-Y171 PolarHBondContact N-O 3.49Å; Y168-Y171 PolarHBondContact O-N 3.03Å; Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.39Å; Y168-I291 HydrophobicContact CD2-CG2 3.53Å; Y168-I291 HydrophobicContact CE2-CB 4.23Å; Y168-I291 HydrophobicContact CE2-CG2 3.43Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.43Å; Y168-I291 HydrophobicContact CG-CG2 4.29Å
169E95.3Very high97.3Very high121 Ų12138.4 Ų38.457%0.56519%0.185SC*.THydrogen-bonded Turntrans50.436.8-179.3-67179.3-17700113.7T150 T151 Y171T150-E169 PolarHBondContact O-N 3.31Å; T150-E169 VanDerWaalsContact O-N 3.14Å; T151-E169 PolarHBondContact OG1-N 2.98Å; E169-Y171 WeakPolarHBondContact O-CD2 3.34Å
170G93.2Very high97.2Very high13 Ų1337 Ų3713%0.13418%0.177CC..THydrogen-bonded Turntrans88.1-6.7-179.800000115.2Y145 T150 Y168Y145-G170 WeakPolarHBondContact OH-CA 3.27Å; T150-G170 PolarHBondContact O-N 3.07Å; Y168-G170 PolarHBondContact O-N 3.14Å; Y168-G170 VanDerWaalsContact O-N 3.11Å
171Y94.6Very high97.2Very high155 Ų15539.7 Ų39.761%0.60819%0.192SC*.EExtended strand (participates in β ladder)trans-101.1123.8179.6-61.5-83.3000111.4I167 Y168 E169I167-Y171 CarbonylContact C-O 3.32Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.28Å; Y168-Y171 PolarHBondContact N-O 3.49Å; Y168-Y171 PolarHBondContact O-N 3.03Å; E169-Y171 WeakPolarHBondContact O-CD2 3.34Å
172A96.9Very high97.2Very high18 Ų1839.3 Ų39.315%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-66.4140.2169.200000110.1I138 V141 V165 I167 P174I138-A172 HydrophobicContact CD1-CB 4.13Å; V141-A172 HydrophobicContact CG2-CB 3.99Å; V165-A172 HydrophobicContact CG1-CB 3.84Å; I167-A172 HydrophobicContact CG1-CB 4.39Å; A172-P174 WeakPolarHBondContact O-CD 3.42Å
173L97.4Very high97.2Very high34 Ų3439.3 Ų39.318%0.17819%0.189CC..  trans-9795.5179.4-57175.4000110.1P166 H175 A176 I177 C287 I291P166-L173 HydrophobicContact CB-CD1 4.36Å; P166-L173 HydrophobicContact CG-CB 4.19Å; P166-L173 PolarHBondContact O-N 3.45Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.92Å; L173-A176 HydrophobicContact CB-CB 4.46Å; L173-A176 PolarHBondContact O-N 2.88Å; L173-I177 PolarHBondContact O-N 3.26Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; L173-I291 HydrophobicContact CD1-CD1 3.48Å; L173-I291 VanDerWaalsContact CD1-CD1 3.48Å
174P96.3Very high97.2Very high83 Ų8339.3 Ų39.354%0.53919%0.189SC..G310 helixtrans-65.9-31.9-163.1-2337000113.9L112 A172 A176 I177L112-P174 HydrophobicContact CD2-CB 4.39Å; A172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-A176 PolarHBondContact O-N 3.03Å; P174-I177 PolarHBondContact O-N 3.13Å
175H96.9Very high97.1Very high114 Ų11441.1 Ų41.153%0.52820%0.196SC..G310 helixtrans-66.2-20.517965.7-86.4000113.4L173L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.92Å
176A98.1Very high97.1Very high0 Ų043 Ų430%021%0.206CC..G310 helixtrans-108.83.5-176.800000113.3P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.55Å; L173-A176 HydrophobicContact CB-CB 4.46Å; L173-A176 PolarHBondContact O-N 2.88Å; P174-A176 PolarHBondContact O-N 3.03Å; A176-M178 PolarHBondContact O-N 2.82Å; A176-S283 WeakPolarHBondContact O-CA 3.5Å; A176-S283 WeakPolarHBondContact O-CB 3.28Å; A176-S283 PolarHBondContact O-OG 3.02Å; A176-K286 HydrophobicContact CB-CB 3.69Å; A176-C287 VanDerWaalsContact CB-SG 3.52Å
177I98.4Very high97.1Very high16 Ų1643 Ų438%0.08221%0.206CC..  trans-69.1131.3175.3-62.5179.2000109.7P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 3.86Å; P111-I177 HydrophobicContact CB-CG2 4.18Å; P111-I177 HydrophobicContact CG-CG2 4.34Å; L112-I177 HydrophobicContact CD1-CB 4.3Å; L112-I177 HydrophobicContact CD1-CG2 4.02Å; L112-I177 HydrophobicContact CD2-CD1 4.15Å; L112-I177 HydrophobicContact CG-CD1 4.31Å; L112-I177 HydrophobicContact CG-CG2 4.28Å; N164-I177 WeakPolarHBondContact O-CA 3.5Å; V165-I177 HydrophobicContact CG1-CD1 4.09Å; V165-I177 HydrophobicContact CG1-CG1 4.14Å; V165-I177 HydrophobicContact CG2-CG2 4.31Å; L173-I177 PolarHBondContact O-N 3.26Å; P174-I177 PolarHBondContact O-N 3.13Å
178M98Very high97Very high40 Ų4043 Ų4320%0.19721%0.206CC..EExtended strand (participates in β ladder)trans-111.8126.4172.1-56.9-64-65.100108.9H163 N164 A176 T279 N282 K286H163-M178 CarbonylContact C-O 3.45Å; H163-M178 WeakPolarHBondContact CA-O 3.31Å; N164-M178 HydrophobicContact CB-CB 4.22Å; N164-M178 PolarHBondContact N-O 2.92Å; N164-M178 PolarHBondContact O-N 2.94Å; A176-M178 PolarHBondContact O-N 2.82Å; M178-T279 WeakPolarHBondContact CG-O 3.31Å; M178-N282 HydrophobicContact CE-CB 4.47Å; M178-K286 HydrophobicContact SD-CD 4.15Å; M178-K286 PolarHBondContact SD-NZ 2.95Å
179R96.6Very high97Very high88 Ų8842.3 Ų42.333%0.33221%0.208SC..EExtended strand (participates in β ladder)trans-112.6136.5177.7175.4174.2167.9151.72.9109.6H75 V161 D181H75-R179 VanDerWaalsContact CB-NH2 3.28Å; H75-R179 PolarHBondContact O-NH2 3.48Å; V161-R179 HydrophobicContact CG2-CG 3.99Å; R179-D181 IonicContact CZ-OD1 3.23Å; R179-D181 IonicContact NE-OD1 3.57Å; R179-D181 PolarHBondContact NE-OD1 3.01Å; R179-D181 IonicContact NH2-OD1 3.38Å; R179-D181 PolarHBondContact NH2-OD1 2.84Å; R179-D181 IonicContact NH2-OD2 3.81Å
180L96.7Very high97.1Very high9 Ų937.4 Ų37.45%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-132.8115.4175.3-176.570.4000108.4T162 L182 M271 I276T162-L180 PolarHBondContact N-O 2.93Å; T162-L180 PolarHBondContact O-N 3.1Å; L180-L182 HydrophobicContact CD1-CB 4.44Å; L180-L182 HydrophobicContact CD2-CB 3.84Å; L180-L182 HydrophobicContact CD2-CD2 4.15Å; L180-L182 HydrophobicContact CD2-CG 4.42Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.47Å; L180-M271 HydrophobicContact CD1-CE 4.26Å; L180-I276 HydrophobicContact CD2-CG2 4.39Å
181D96.1Very high97.4Very high57 Ų5736.8 Ų36.831%0.30518%0.178SC..SBendtrans-7858.9174.2-734.2000109.6H75 R179 M271H75-D181 IonicContact CE1-OD2 3.06Å; H75-D181 IonicContact CG-OD2 2.76Å; H75-D181 IonicContact ND1-OD2 3.75Å; H75-D181 PolarHBondContact ND1-OD2 3.14Å; R179-D181 IonicContact CZ-OD1 3.23Å; R179-D181 IonicContact NE-OD1 3.57Å; R179-D181 PolarHBondContact NE-OD1 3.01Å; R179-D181 IonicContact NH2-OD1 3.38Å; R179-D181 PolarHBondContact NH2-OD1 2.84Å; R179-D181 IonicContact NH2-OD2 3.81Å; D181-M271 WeakPolarHBondContact O-CE 3.28Å
182L97.9Very high97.5Very high0 Ų031.5 Ų31.50%016%0.159CC..  trans-141.5116.3175172.651.8000108.2T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.25Å; T162-L182 PolarHBondContact OG1-O 2.92Å; L180-L182 HydrophobicContact CD1-CB 4.44Å; L180-L182 HydrophobicContact CD2-CB 3.84Å; L180-L182 HydrophobicContact CD2-CD2 4.15Å; L180-L182 HydrophobicContact CD2-CG 4.42Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.47Å; L182-D186 WeakPolarHBondContact CA-OD2 3.38Å; L182-D186 HydrophobicContact CD1-CB 3.59Å; L182-L187 HydrophobicContact CD1-CD2 4.41Å; L182-T262 VanDerWaalsContact CD2-O 3.31Å; L182-T262 WeakPolarHBondContact CD2-O 3.25Å; L182-L263 HydrophobicContact CG-CD2 4.41Å; L182-P266 HydrophobicContact CD2-CB 3.92Å; L182-P266 HydrophobicContact CD2-CG 3.92Å; L182-I269 HydrophobicContact CD1-CD1 3.39Å; L182-I269 HydrophobicContact CD2-CD1 4.12Å; L182-I269 HydrophobicContact CG-CD1 4.34Å; L182-M271 HydrophobicContact CB-CE 4.08Å; L182-M271 HydrophobicContact CB-SD 4.06Å; L182-M271 HydrophobicContact CD1-SD 4.38Å; L182-M271 HydrophobicContact CD2-SD 4.32Å; L182-M271 HydrophobicContact CG-SD 4.47Å
183A98.1Very high97.5Very high0 Ų036.3 Ų36.30%018%0.177CC..SBendtrans-157.8-162.9-17600000112.2G158 D159 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.42Å; D159-A183 CarbonylContact O-C 3.49Å; D159-A183 WeakPolarHBondContact O-CB 3.28Å; A183-R185 PolarHBondContact O-N 2.97Å; A183-D186 PolarHBondContact N-OD2 2.65Å; A183-D186 PolarHBondContact O-N 3.04Å; A183-D186 VanDerWaalsContact O-N 3.12Å; A183-L187 WeakPolarHBondContact O-CG 3.47Å; A183-L187 PolarHBondContact O-N 3.38Å
184G98.2Very high97.5Very high1 Ų134.8 Ų34.81%0.0117%0.168CC..Hα-helixtrans-54.4-30.8-170.700000115.5G158 D159 T188 K215 T305G158-G184 PolarHBondContact O-N 2.88Å; D159-G184 PolarHBondContact O-N 3.46Å; D159-G184 VanDerWaalsContact O-N 3.13Å; G184-T188 PolarHBondContact O-N 3.22Å; G184-T188 VanDerWaalsContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 3.31Å; G184-K215 WeakPolarHBondContact O-CE 3.34Å; G184-T305 WeakPolarHBondContact CA-OG1 3.45Å; G184-T305 PolarHBondContact N-OG1 3.1Å
185R96.9Very high97.6Very high39 Ų3930.8 Ų30.815%0.14714%0.143CC..Hα-helixtrans-67.5-51.7177.7-170173.6-63.3177.42.9111S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 2.82Å; S16-R185 VanDerWaalsContact O-NH2 3.12Å; D159-R185 VanDerWaalsContact O-CB 3.23Å; D159-R185 WeakPolarHBondContact O-CB 3.31Å; D159-R185 PolarHBondContact O-N 3.42Å; D159-R185 PolarHBondContact OD1-N 3.27Å; D159-R185 IonicContact OD2-CZ 2.99Å; D159-R185 IonicContact OD2-NE 2.84Å; D159-R185 PolarHBondContact OD2-NE 3.06Å; D159-R185 IonicContact OD2-NH2 3.14Å; D159-R185 PolarHBondContact OD2-NH2 3.04Å; A183-R185 PolarHBondContact O-N 2.97Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.86Å; R185-T188 VanDerWaalsContact O-CB 3.27Å; R185-T188 WeakPolarHBondContact O-CB 3.48Å; R185-T188 PolarHBondContact O-N 3.33Å; R185-D189 PolarHBondContact O-N 3.08Å; R185-D189 VanDerWaalsContact O-N 3.1Å; R185-R208 PolarHBondContact O-NH2 2.6Å
186D98Very high97.6Very high40 Ų4028.5 Ų28.521%0.21414%0.137CC..Hα-helixtrans-63.3-38.5178.8-44.9-76.5000111.1L182 A183 T188 D189 Y190L182-D186 WeakPolarHBondContact CA-OD2 3.38Å; L182-D186 HydrophobicContact CD1-CB 3.59Å; A183-D186 PolarHBondContact N-OD2 2.65Å; A183-D186 PolarHBondContact O-N 3.04Å; A183-D186 VanDerWaalsContact O-N 3.12Å; D186-T188 VanDerWaalsContact C-N 3.28Å; D186-T188 PolarHBondContact O-N 2.96Å; D186-D189 PolarHBondContact O-N 2.97Å; D186-Y190 WeakPolarHBondContact O-CB 3.32Å; D186-Y190 PolarHBondContact O-N 2.77Å
187L98.4Very high97.5Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-61.6-37174.2-62.8-172.7000112.3L182 A183 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.41Å; A183-L187 WeakPolarHBondContact O-CG 3.47Å; A183-L187 PolarHBondContact O-N 3.38Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.86Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 PolarHBondContact O-N 2.96Å; L187-K215 HydrophobicContact CB-CD 3.75Å; L187-C259 PolarHBondContact O-SG 3.28Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.5Å; L187-L263 HydrophobicContact CD1-CD1 4.15Å; L187-L263 HydrophobicContact CD1-CD2 4.2Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CD2 4.43Å; L187-L263 HydrophobicContact CD2-CG 4.32Å; L187-T305 HydrophobicContact CD1-CG2 3.72Å; L187-Y308 HydrophobicContact CD1-CE2 3.66Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.35Å
188T98.1Very high97.2Very high0 Ų037.4 Ų37.40%017%0.174CC..Hα-helixtrans-65.4-45.5175.5-53.50000110.6G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 3.22Å; G184-T188 VanDerWaalsContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 3.31Å; R185-T188 VanDerWaalsContact O-CB 3.27Å; R185-T188 WeakPolarHBondContact O-CB 3.48Å; R185-T188 PolarHBondContact O-N 3.33Å; D186-T188 VanDerWaalsContact C-N 3.28Å; D186-T188 PolarHBondContact O-N 2.96Å; T188-L191 PolarHBondContact O-N 3.43Å; T188-M192 WeakPolarHBondContact O-CB 3.43Å; T188-M192 PolarHBondContact O-N 3.1Å; T188-R208 HydrophobicContact CG2-CG 4.04Å; T188-V211 HydrophobicContact CG2-CB 4.25Å; T188-V211 HydrophobicContact CG2-CG1 4.08Å; T188-V211 WeakPolarHBondContact O-CG1 3.42Å; T188-R212 HydrophobicContact CG2-CB 3.92Å; T188-K215 WeakPolarHBondContact OG1-CE 3.29Å
189D97.2Very high97.1Very high61 Ų6138.4 Ų38.433%0.32619%0.194SC..Hα-helixtrans-68.1-37.2-179.3-64.3-38.8000111.6R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 3.08Å; R185-D189 VanDerWaalsContact O-N 3.1Å; D186-D189 PolarHBondContact O-N 2.97Å; D189-M192 WeakPolarHBondContact O-CB 3.33Å; D189-M192 PolarHBondContact O-N 2.78Å; D189-K193 PolarHBondContact O-N 3.16Å; D189-K193 VanDerWaalsContact O-N 3.09Å; D189-R208 IonicContact OD1-CZ 3.57Å; D189-R208 VanDerWaalsContact OD1-CZ 3.3Å; D189-R208 IonicContact OD1-NE 3.27Å; D189-R208 PolarHBondContact OD1-NE 2.7Å; D189-R208 IonicContact OD1-NH2 3.38Å; D189-R208 PolarHBondContact OD1-NH2 3.05Å; D189-R208 IonicContact OD2-CZ 2.77Å; D189-R208 IonicContact OD2-NE 2.86Å; D189-R208 IonicContact OD2-NH2 3.84Å; D189-R208 PolarHBondContact OD2-NH2 2.84Å
190Y98Very high97Very high17 Ų1737.1 Ų37.17%0.06719%0.19CC..Hα-helixtrans-66.3-42.7172.3179.9-120.4000112.4D186 M192 K193 I194 C259 T262 I269D186-Y190 WeakPolarHBondContact O-CB 3.32Å; D186-Y190 PolarHBondContact O-N 2.77Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.02Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 2.94Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; Y190-I194 HydrophobicContact CD1-CD1 4.36Å; Y190-I194 HydrophobicContact CD2-CG2 4.17Å; Y190-I194 HydrophobicContact CE1-CD1 4.01Å; Y190-I194 HydrophobicContact CE1-CG2 4.18Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 3.21Å; Y190-C259 HydrophobicContact CD1-CB 4.47Å; Y190-T262 HydrophobicContact CD1-CG2 3.34Å; Y190-T262 HydrophobicContact CE1-CG2 3.32Å; Y190-T262 HydrophobicContact CG-CG2 4.03Å; Y190-I269 HydrophobicContact CD1-CG2 4.23Å; Y190-I269 HydrophobicContact CD2-CG2 3.39Å; Y190-I269 HydrophobicContact CE2-CG2 3.99Å; Y190-I269 HydrophobicContact CG-CG2 3.51Å
191L98.4Very high96.9Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-59.7-41.8175.3-177.159.6000110.9L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 PolarHBondContact O-N 2.96Å; T188-L191 PolarHBondContact O-N 3.43Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.26Å; L191-I194 HydrophobicContact CD1-CD1 4.01Å; L191-I194 HydrophobicContact CD1-CG1 4.06Å; L191-I194 WeakPolarHBondContact O-CG1 3.28Å; L191-I194 PolarHBondContact O-N 3.22Å; L191-L195 HydrophobicContact CD1-CD1 4.14Å; L191-L195 HydrophobicContact CD1-CD2 4.47Å; L191-L195 HydrophobicContact CD1-CG 4Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.17Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.18Å; L191-V211 HydrophobicContact CB-CG1 3.81Å; L191-V211 HydrophobicContact CD2-CG1 3.8Å; L191-V211 HydrophobicContact CG-CG1 3.74Å; L191-I214 HydrophobicContact CD2-CB 4.45Å; L191-I214 HydrophobicContact CD2-CG2 4.07Å; L191-K215 HydrophobicContact CD2-CB 3.62Å; L191-K215 HydrophobicContact CD2-CG 4.34Å; L191-E255 HydrophobicContact CD1-CB 3.85Å; L191-C259 HydrophobicContact CB-CB 4.27Å; L191-C259 HydrophobicContact CD1-CB 4.02Å
192M97.7Very high96.8Very high45 Ų4538.1 Ų38.122%0.22220%0.201CC..Hα-helixtrans-58.3-42.8176.2-166.4168.771.300111.7T188 D189 Y190 T196 F202 R208 V211T188-M192 WeakPolarHBondContact O-CB 3.43Å; T188-M192 PolarHBondContact O-N 3.1Å; D189-M192 WeakPolarHBondContact O-CB 3.33Å; D189-M192 PolarHBondContact O-N 2.78Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.02Å; M192-T196 PolarHBondContact O-N 2.8Å; M192-T196 VanDerWaalsContact O-N 3.07Å; M192-T196 PolarHBondContact O-OG1 3.06Å; M192-F202 HydrophobicContact CG-CB 3.96Å; M192-F202 WeakPolarHBondContact CG-O 3.46Å; M192-F202 HydrophobicContact SD-CB 4.25Å; M192-R208 HydrophobicContact SD-CB 4.44Å; M192-R208 HydrophobicContact SD-CG 4.44Å; M192-V211 HydrophobicContact CB-CG1 4.09Å; M192-V211 HydrophobicContact CB-CG2 4.3Å; M192-V211 HydrophobicContact CG-CG2 4.18Å
193K96.9Very high96.6Very high119 Ų11943.6 Ų43.652%0.51723%0.234SC..Hα-helixtrans-61.7-52175.8-178.9-174.9173-174.30112.1D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 3.16Å; D189-K193 VanDerWaalsContact O-N 3.09Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 2.94Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.26Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.17Å; K193-T196 VanDerWaalsContact O-CB 3.3Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.39Å; K193-T196 VanDerWaalsContact O-N 3.11Å; K193-E197 PolarHBondContact O-N 3.09Å; K193-E197 VanDerWaalsContact O-N 3.08Å
194I97.2Very high96.3Very high1 Ų146.8 Ų46.81%0.00525%0.254CS..Hα-helixtrans-72.5-25.7-17764.5-177.4000112.9Y190 L191 T196 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.36Å; Y190-I194 HydrophobicContact CD2-CG2 4.17Å; Y190-I194 HydrophobicContact CE1-CD1 4.01Å; Y190-I194 HydrophobicContact CE1-CG2 4.18Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 3.21Å; L191-I194 HydrophobicContact CD1-CD1 4.01Å; L191-I194 HydrophobicContact CD1-CG1 4.06Å; L191-I194 WeakPolarHBondContact O-CG1 3.28Å; L191-I194 PolarHBondContact O-N 3.22Å; I194-T196 VanDerWaalsContact C-N 3.33Å; I194-E197 WeakPolarHBondContact O-CB 3.48Å; I194-E197 PolarHBondContact O-N 2.66Å; I194-R198 PolarHBondContact O-N 3.13Å; I194-E255 HydrophobicContact CB-CG 4.26Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 3.93Å; I194-E255 HydrophobicContact CG1-CB 3.97Å; I194-E255 HydrophobicContact CG1-CG 3.79Å; I194-R258 HydrophobicContact CD1-CB 4.31Å; I194-C259 HydrophobicContact CD1-CB 4.22Å
195L98Very high95.8Very high0 Ų050.1 Ų50.10%027%0.274CS..Hα-helixtrans-67.4-36.7168.4-71.5174.6000111.6L191 K193 E197 R198 G199 Y200 F202 V211 I214 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.14Å; L191-L195 HydrophobicContact CD1-CD2 4.47Å; L191-L195 HydrophobicContact CD1-CG 4Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.17Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.18Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.17Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-R198 WeakPolarHBondContact O-CB 3.46Å; L195-R198 PolarHBondContact O-N 3.39Å; L195-G199 PolarHBondContact O-N 3.42Å; L195-Y200 CarbonylContact C-O 3.52Å; L195-Y200 PolarHBondContact O-N 2.84Å; L195-F202 HydrophobicContact CB-CD2 4.39Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.29Å; L195-F202 HydrophobicContact CD1-CE2 3.84Å; L195-V211 HydrophobicContact CD1-CG1 4.21Å; L195-V211 HydrophobicContact CD1-CG2 4.33Å; L195-I214 HydrophobicContact CD1-CD1 4.32Å; L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.24Å; L195-E255 HydrophobicContact CD2-CB 4.39Å; L195-E255 HydrophobicContact CD2-CG 4.21Å
196T97Very high95.5Very high65 Ų6550.8 Ų50.840%0.39929%0.288SS..Hα-helixtrans-64.4-39.2174.2-55.90000111.1M192 K193 I194 R198 G199 Y200M192-T196 PolarHBondContact O-N 2.8Å; M192-T196 VanDerWaalsContact O-N 3.07Å; M192-T196 PolarHBondContact O-OG1 3.06Å; K193-T196 VanDerWaalsContact O-CB 3.3Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.39Å; K193-T196 VanDerWaalsContact O-N 3.11Å; I194-T196 VanDerWaalsContact C-N 3.33Å; T196-R198 PolarHBondContact O-N 3.06Å; T196-G199 WeakPolarHBondContact O-CA 3.25Å; T196-G199 PolarHBondContact O-N 3.05Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.44Å; T196-Y200 PolarHBondContact N-O 3.12Å
197E95Very high95.3Very high116 Ų11651.8 Ų51.854%0.54229%0.291SS..Hα-helixtrans-59.4-34.4173.9-66.6169.2-170.200112.4K193 I194 L195 G199 R258K193-E197 PolarHBondContact O-N 3.09Å; K193-E197 VanDerWaalsContact O-N 3.08Å; I194-E197 WeakPolarHBondContact O-CB 3.48Å; I194-E197 PolarHBondContact O-N 2.66Å; L195-E197 VanDerWaalsContact C-N 3.33Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-R258 IonicContact OE2-NH2 3.37Å
198R92.4Very high95.1Very high88 Ų8853.4 Ų53.433%0.33230%0.297SS..Hα-helixtrans-74.5-16.9174-166.4-179.6-175.91060.5113.2I194 L195 T196 Y200 E239 T251 E255I194-R198 PolarHBondContact O-N 3.13Å; L195-R198 WeakPolarHBondContact O-CB 3.46Å; L195-R198 PolarHBondContact O-N 3.39Å; T196-R198 PolarHBondContact O-N 3.06Å; R198-Y200 HydrophobicContact CB-CD2 4.47Å; R198-Y200 HydrophobicContact CG-CD2 4.39Å; R198-Y200 HydrophobicContact CG-CE2 4.23Å; R198-E239 IonicContact CZ-OE1 3.9Å; R198-E239 IonicContact NH2-OE1 2.74Å; R198-E239 PolarHBondContact NH2-OE1 2.83Å; R198-T251 PolarHBondContact NE-O 2.83Å; R198-E255 WeakPolarHBondContact CD-OE1 3.19Å; R198-E255 IonicContact NH1-OE1 3.44Å; R198-E255 PolarHBondContact NH1-OE1 3.29Å; R198-E255 IonicContact NH1-OE2 2.72Å; R198-E255 PolarHBondContact NH1-OE2 3.34Å
199G95.3Very high95Very high60 Ų6054.9 Ų54.962%0.61930%0.304SS*.THydrogen-bonded Turntrans107.25.6-17800000114.9L195 T196 E197L195-G199 PolarHBondContact O-N 3.42Å; T196-G199 WeakPolarHBondContact O-CA 3.25Å; T196-G199 PolarHBondContact O-N 3.05Å; E197-G199 VanDerWaalsContact C-N 3.28Å
200Y95.3Very high94.9Very high61 Ų6153.5 Ų53.524%0.23930%0.296CS..  trans-99.6100.9173.3-56.2-52.8000110.2L195 T196 R198 I250 T251L195-Y200 CarbonylContact C-O 3.52Å; L195-Y200 PolarHBondContact O-N 2.84Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.44Å; T196-Y200 PolarHBondContact N-O 3.12Å; R198-Y200 HydrophobicContact CB-CD2 4.47Å; R198-Y200 HydrophobicContact CG-CD2 4.39Å; R198-Y200 HydrophobicContact CG-CE2 4.23Å; Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.38Å; Y200-I250 HydrophobicContact CD2-CD1 4.49Å; Y200-I250 HydrophobicContact CE1-CB 3.89Å; Y200-I250 HydrophobicContact CE1-CG2 3.59Å; Y200-I250 HydrophobicContact CE2-CB 4Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; Y200-T251 WeakPolarHBondContact CE2-O 3.25Å; Y200-T251 PolarHBondContact OH-N 3.33Å
201S94.4Very high94.9Very high74 Ų7452.7 Ų52.752%0.51729%0.293SS..  trans-91126.9-178.1-168.20000111.2V203S201-V203 WeakPolarHBondContact OG-CG1 3.26Å
202F95.1Very high94.9Very high14 Ų1456.2 Ų56.26%0.06131%0.306CS..  trans-123.8114.2173.7-62.9-82.1000106.8M192 L195 E207 I210 V211 I214 L244 I250M192-F202 HydrophobicContact CG-CB 3.96Å; M192-F202 WeakPolarHBondContact CG-O 3.46Å; M192-F202 HydrophobicContact SD-CB 4.25Å; L195-F202 HydrophobicContact CB-CD2 4.39Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.29Å; L195-F202 HydrophobicContact CD1-CE2 3.84Å; F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.88Å; F202-E207 HydrophobicContact CD1-CG 4.22Å; F202-E207 HydrophobicContact CG-CB 4.38Å; F202-I210 HydrophobicContact CE1-CB 4.47Å; F202-I210 HydrophobicContact CE1-CG2 4.25Å; F202-V211 HydrophobicContact CB-CG2 3.84Å; F202-V211 HydrophobicContact CD1-CG2 4.13Å; F202-V211 HydrophobicContact CD2-CG2 3.61Å; F202-V211 HydrophobicContact CE2-CG2 4.14Å; F202-V211 HydrophobicContact CG-CG2 3.58Å; F202-I214 HydrophobicContact CZ-CD1 4.3Å; F202-L244 HydrophobicContact CE1-CD2 3.93Å; F202-L244 HydrophobicContact CZ-CD2 4.09Å; F202-I250 HydrophobicContact CZ-CD1 3.9Å
203V92.4Very high94.9Very high114 Ų11455.9 Ų55.969%0.69131%0.306SS*.  trans-118.5-22.9-167.7-65.10000113.3S201 E207S201-V203 WeakPolarHBondContact OG-CG1 3.26Å; V203-E207 WeakPolarHBondContact CG2-OE2 3.45Å; V203-E207 PolarHBondContact N-OE2 3.4Å
204T91.8Very high95Very high68 Ų6850.2 Ų50.242%0.41728%0.281SS..SBendtrans-94.4160.1-177.769.60000112.4A206 E207 R208T204-A206 PolarHBondContact O-N 3.38Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.44Å; T204-E207 PolarHBondContact N-OE2 3.22Å; T204-E207 PolarHBondContact O-N 3.44Å; T204-E207 WeakPolarHBondContact OG1-CB 3.37Å; T204-E207 VanDerWaalsContact OG1-CD 3.31Å; T204-E207 VanDerWaalsContact OG1-CG 3.25Å; T204-E207 WeakPolarHBondContact OG1-CG 3.49Å; T204-E207 PolarHBondContact OG1-N 2.9Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; T204-R208 PolarHBondContact O-N 3.37Å
205T88.8Confident95Very high71 Ų7150.6 Ų50.644%0.43628%0.283SS..THydrogen-bonded Turntrans-66.2-20.5175590000113.4R64R64-T205 WeakPolarHBondContact CD-O 3.45Å; R64-T205 PolarHBondContact NH1-O 3.41Å
206A89.7Confident95.1Very high53 Ų5356 Ų5644%0.43831%0.308SS..THydrogen-bonded Turntrans-78-45173.600000110.6T204 R208 E209T204-A206 PolarHBondContact O-N 3.38Å; A206-R208 VanDerWaalsContact C-N 3.26Å; A206-R208 PolarHBondContact O-N 2.86Å; A206-E209 WeakPolarHBondContact O-CB 3.25Å; A206-E209 PolarHBondContact O-N 3.21Å
207E94Very high95.1Very high60 Ų6059.3 Ų59.328%0.2832%0.317SS..Hα-helixtrans-61.7-33.8174.3-76.8166.1161.300112.5F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.88Å; F202-E207 HydrophobicContact CD1-CG 4.22Å; F202-E207 HydrophobicContact CG-CB 4.38Å; V203-E207 WeakPolarHBondContact CG2-OE2 3.45Å; V203-E207 PolarHBondContact N-OE2 3.4Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.44Å; T204-E207 PolarHBondContact N-OE2 3.22Å; T204-E207 PolarHBondContact O-N 3.44Å; T204-E207 WeakPolarHBondContact OG1-CB 3.37Å; T204-E207 VanDerWaalsContact OG1-CD 3.31Å; T204-E207 VanDerWaalsContact OG1-CG 3.25Å; T204-E207 WeakPolarHBondContact OG1-CG 3.49Å; T204-E207 PolarHBondContact OG1-N 2.9Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; E207-E209 PolarHBondContact O-N 2.67Å; E207-I210 HydrophobicContact CG-CD1 4.45Å; E207-I210 WeakPolarHBondContact O-CA 3.27Å; E207-I210 VanDerWaalsContact O-CB 3.26Å; E207-I210 WeakPolarHBondContact O-CB 3.41Å; E207-I210 PolarHBondContact O-N 3.23Å; E207-V211 PolarHBondContact O-N 3.48Å; E207-V211 VanDerWaalsContact O-N 3.08Å
208R94.8Very high95.3Very high35 Ų3555 Ų5513%0.13230%0.297CS..Hα-helixtrans-55.2-34171.2-170.2-175.3-176.8-77.4-4.7113R185 T188 D189 M192 T204 A206 I210 V211 R212R185-R208 PolarHBondContact O-NH2 2.6Å; T188-R208 HydrophobicContact CG2-CG 4.04Å; D189-R208 IonicContact OD1-CZ 3.57Å; D189-R208 VanDerWaalsContact OD1-CZ 3.3Å; D189-R208 IonicContact OD1-NE 3.27Å; D189-R208 PolarHBondContact OD1-NE 2.7Å; D189-R208 IonicContact OD1-NH2 3.38Å; D189-R208 PolarHBondContact OD1-NH2 3.05Å; D189-R208 IonicContact OD2-CZ 2.77Å; D189-R208 IonicContact OD2-NE 2.86Å; D189-R208 IonicContact OD2-NH2 3.84Å; D189-R208 PolarHBondContact OD2-NH2 2.84Å; M192-R208 HydrophobicContact SD-CB 4.44Å; M192-R208 HydrophobicContact SD-CG 4.44Å; T204-R208 PolarHBondContact O-N 3.37Å; A206-R208 VanDerWaalsContact C-N 3.26Å; A206-R208 PolarHBondContact O-N 2.86Å; R208-I210 VanDerWaalsContact C-N 3.35Å; R208-V211 PolarHBondContact O-N 3.33Å; R208-R212 PolarHBondContact O-N 2.97Å
209E94.7Very high95.6Very high31 Ų3151 Ų5115%0.14528%0.283CS..Hα-helixtrans-72.6-30.1176.4-62.2-61.4140.300112.3Q61 R64 A206 E207 V211 R212 D213Q61-E209 PolarHBondContact NE2-OE2 3.3Å; R64-E209 IonicContact CZ-OE1 2.93Å; R64-E209 IonicContact NH1-OE1 3.62Å; R64-E209 PolarHBondContact NH1-OE1 3.1Å; R64-E209 IonicContact NH2-OE1 3.02Å; R64-E209 PolarHBondContact NH2-OE1 3.09Å; A206-E209 WeakPolarHBondContact O-CB 3.25Å; A206-E209 PolarHBondContact O-N 3.21Å; E207-E209 PolarHBondContact O-N 2.67Å; E209-V211 VanDerWaalsContact C-N 3.32Å; E209-R212 PolarHBondContact O-N 2.9Å; E209-R212 IonicContact OE2-CZ 2.73Å; E209-R212 IonicContact OE2-NE 2.81Å; E209-R212 PolarHBondContact OE2-NE 3.18Å; E209-R212 IonicContact OE2-NH2 3.49Å; E209-R212 PolarHBondContact OE2-NH2 3.01Å; E209-D213 PolarHBondContact O-N 2.79Å
210I96.7Very high95.7Very high31 Ų3149.9 Ų49.916%0.15926%0.26CS..Hα-helixtrans-63.3-44.5170.4-53.2174.7000109.1F202 E207 R208 R212 D213 I214 Y242 L244 P245F202-I210 HydrophobicContact CE1-CB 4.47Å; F202-I210 HydrophobicContact CE1-CG2 4.25Å; E207-I210 HydrophobicContact CG-CD1 4.45Å; E207-I210 WeakPolarHBondContact O-CA 3.27Å; E207-I210 VanDerWaalsContact O-CB 3.26Å; E207-I210 WeakPolarHBondContact O-CB 3.41Å; E207-I210 PolarHBondContact O-N 3.23Å; R208-I210 VanDerWaalsContact C-N 3.35Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 3.04Å; I210-D213 PolarHBondContact O-N 2.87Å; I210-D213 VanDerWaalsContact O-N 3.17Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.84Å; I210-Y242 HydrophobicContact CG2-CE1 3.74Å; I210-L244 HydrophobicContact CG2-CD2 3.69Å; I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.23Å
211V98.1Very high95.9Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-61.9-40.3176-179.10000111.6T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215T188-V211 HydrophobicContact CG2-CB 4.25Å; T188-V211 HydrophobicContact CG2-CG1 4.08Å; T188-V211 WeakPolarHBondContact O-CG1 3.42Å; L191-V211 HydrophobicContact CB-CG1 3.81Å; L191-V211 HydrophobicContact CD2-CG1 3.8Å; L191-V211 HydrophobicContact CG-CG1 3.74Å; M192-V211 HydrophobicContact CB-CG1 4.09Å; M192-V211 HydrophobicContact CB-CG2 4.3Å; M192-V211 HydrophobicContact CG-CG2 4.18Å; L195-V211 HydrophobicContact CD1-CG1 4.21Å; L195-V211 HydrophobicContact CD1-CG2 4.33Å; F202-V211 HydrophobicContact CB-CG2 3.84Å; F202-V211 HydrophobicContact CD1-CG2 4.13Å; F202-V211 HydrophobicContact CD2-CG2 3.61Å; F202-V211 HydrophobicContact CE2-CG2 4.14Å; F202-V211 HydrophobicContact CG-CG2 3.58Å; E207-V211 PolarHBondContact O-N 3.48Å; E207-V211 VanDerWaalsContact O-N 3.08Å; R208-V211 PolarHBondContact O-N 3.33Å; E209-V211 VanDerWaalsContact C-N 3.32Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 2.86Å; V211-I214 PolarHBondContact O-N 3Å; V211-K215 WeakPolarHBondContact O-CB 3.49Å; V211-K215 PolarHBondContact O-N 3.11Å
212R97.6Very high96.1Very high74 Ų7443.7 Ų43.728%0.27923%0.226SC..Hα-helixtrans-60.8-42.2174.1-171.7-175.262.874.74.2111.7T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 3.92Å; R208-R212 PolarHBondContact O-N 2.97Å; E209-R212 PolarHBondContact O-N 2.9Å; E209-R212 IonicContact OE2-CZ 2.73Å; E209-R212 IonicContact OE2-NE 2.81Å; E209-R212 PolarHBondContact OE2-NE 3.18Å; E209-R212 IonicContact OE2-NH2 3.49Å; E209-R212 PolarHBondContact OE2-NH2 3.01Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 3.04Å; R212-K215 WeakPolarHBondContact O-CB 3.19Å; R212-K215 PolarHBondContact O-N 2.89Å; R212-E216 WeakPolarHBondContact CG-OE1 3.25Å; R212-E216 IonicContact CZ-OE1 3.57Å; R212-E216 IonicContact NH1-OE1 3.5Å; R212-E216 PolarHBondContact NH1-OE1 3.4Å; R212-E216 IonicContact NH1-OE2 2.81Å; R212-E216 PolarHBondContact NH1-OE2 3.05Å; R212-E216 WeakPolarHBondContact O-CG 3.45Å; R212-E216 PolarHBondContact O-N 3.29Å
213D97.9Very high96.3Very high39 Ų3947.5 Ų47.521%0.20925%0.246CC..Hα-helixtrans-67.5-42.3177.8-172.683000112.2E209 I210 V211 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 2.79Å; I210-D213 PolarHBondContact O-N 2.87Å; I210-D213 VanDerWaalsContact O-N 3.17Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 2.86Å; D213-K215 VanDerWaalsContact C-N 3.29Å; D213-K215 PolarHBondContact O-N 3.19Å; D213-E216 PolarHBondContact O-N 2.85Å; D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.46Å; D213-K217 WeakPolarHBondContact O-CG 3.13Å; D213-K217 PolarHBondContact O-N 3.48Å; D213-K217 WeakPolarHBondContact OD1-CE 3.4Å; D213-K217 IonicContact OD1-NZ 3.65Å; D213-K217 PolarHBondContact OD1-NZ 3.49Å; D213-K217 VanDerWaalsContact OD1-NZ 3.09Å; D213-K217 VanDerWaalsContact OD2-CD 3.24Å; D213-K217 WeakPolarHBondContact OD2-CD 3.38Å; D213-K217 WeakPolarHBondContact OD2-CE 3.43Å; D213-K217 IonicContact OD2-NZ 3.55Å; D213-K217 PolarHBondContact OD2-NZ 3.38Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.33Å; D213-Y242 PolarHBondContact OD2-OH 2.69Å
214I98.5Very high96.5Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-54.8-48170.6-68.5166.8000110.1L191 L195 F202 I210 V211 E216 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CB 4.45Å; L191-I214 HydrophobicContact CD2-CG2 4.07Å; L195-I214 HydrophobicContact CD1-CD1 4.32Å; F202-I214 HydrophobicContact CZ-CD1 4.3Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.84Å; V211-I214 PolarHBondContact O-N 3Å; I214-E216 PolarHBondContact O-N 2.92Å; I214-K217 PolarHBondContact O-N 2.88Å; I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.5Å; I214-L218 PolarHBondContact O-N 3.23Å; I214-Y242 HydrophobicContact CB-CD2 4.49Å; I214-Y242 HydrophobicContact CD1-CD1 3.98Å; I214-Y242 HydrophobicContact CD1-CE1 4.15Å; I214-Y242 HydrophobicContact CD1-CG 4.27Å; I214-Y242 HydrophobicContact CG1-CD1 3.73Å; I214-Y242 HydrophobicContact CG1-CD2 3.62Å; I214-Y242 HydrophobicContact CG1-CE1 3.78Å; I214-Y242 HydrophobicContact CG1-CE2 3.64Å; I214-Y242 HydrophobicContact CG1-CG 3.67Å; I214-I250 HydrophobicContact CD1-CD1 4.02Å; I214-I252 HydrophobicContact CD1-CD1 4.42Å; I214-I252 HydrophobicContact CG2-CD1 4.18Å; I214-I252 HydrophobicContact CG2-CG1 4Å; I214-I252 HydrophobicContact CG2-CG2 4.41Å
215K98.5Very high96.8Very high9 Ų942.7 Ų42.74%0.03921%0.213CC..Hα-helixtrans-56.9-50178.7-177.117966.869.70111.5G184 L187 T188 L191 V211 R212 D213 C219 Y308G184-K215 WeakPolarHBondContact O-CE 3.34Å; L187-K215 HydrophobicContact CB-CD 3.75Å; T188-K215 WeakPolarHBondContact OG1-CE 3.29Å; L191-K215 HydrophobicContact CD2-CB 3.62Å; L191-K215 HydrophobicContact CD2-CG 4.34Å; V211-K215 WeakPolarHBondContact O-CB 3.49Å; V211-K215 PolarHBondContact O-N 3.11Å; R212-K215 WeakPolarHBondContact O-CB 3.19Å; R212-K215 PolarHBondContact O-N 2.89Å; D213-K215 VanDerWaalsContact C-N 3.29Å; D213-K215 PolarHBondContact O-N 3.19Å; K215-C219 VanDerWaalsContact O-CB 3.24Å; K215-C219 WeakPolarHBondContact O-CB 3.47Å; K215-C219 PolarHBondContact O-N 3.25Å; K215-Y308 VanDerWaalsContact CD-OH 3.22Å; K215-Y308 WeakPolarHBondContact CD-OH 3.23Å; K215-Y308 HydrophobicContact CG-CE1 4.29Å; K215-Y308 WeakPolarHBondContact CG-OH 3.35Å
216E98.2Very high97.2Very high112 Ų11245.3 Ų45.352%0.52322%0.221SC..Hα-helixtrans-70.7-33.7-176.4-73172.3-160.800112.8R212 D213 I214R212-E216 WeakPolarHBondContact CG-OE1 3.25Å; R212-E216 IonicContact CZ-OE1 3.57Å; R212-E216 IonicContact NH1-OE1 3.5Å; R212-E216 PolarHBondContact NH1-OE1 3.4Å; R212-E216 IonicContact NH1-OE2 2.81Å; R212-E216 PolarHBondContact NH1-OE2 3.05Å; R212-E216 WeakPolarHBondContact O-CG 3.45Å; R212-E216 PolarHBondContact O-N 3.29Å; D213-E216 PolarHBondContact O-N 2.85Å; I214-E216 PolarHBondContact O-N 2.92Å
217K98.3Very high97.6Very high136 Ų13647.6 Ų47.659%0.59123%0.226SC*.Hα-helixtrans-85.7-36.6-177.8-71.7-178.5-176.6157.90114.3D213 I214 Y242D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.46Å; D213-K217 WeakPolarHBondContact O-CG 3.13Å; D213-K217 PolarHBondContact O-N 3.48Å; D213-K217 WeakPolarHBondContact OD1-CE 3.4Å; D213-K217 IonicContact OD1-NZ 3.65Å; D213-K217 PolarHBondContact OD1-NZ 3.49Å; D213-K217 VanDerWaalsContact OD1-NZ 3.09Å; D213-K217 VanDerWaalsContact OD2-CD 3.24Å; D213-K217 WeakPolarHBondContact OD2-CD 3.38Å; D213-K217 WeakPolarHBondContact OD2-CE 3.43Å; D213-K217 IonicContact OD2-NZ 3.55Å; D213-K217 PolarHBondContact OD2-NZ 3.38Å; I214-K217 PolarHBondContact O-N 2.88Å; K217-Y242 HydrophobicContact CD-CE2 4.41Å
218L98.4Very high97.8Very high26 Ų2646.6 Ų46.614%0.13622%0.221CC..Hα-helixtrans-114.6-25.5-164.9-59-173.6000114.4I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.5Å; I214-L218 PolarHBondContact O-N 3.23Å; L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.14Å; L218-Y242 HydrophobicContact CD1-CD2 4.01Å; L218-Y242 HydrophobicContact CD1-CG 4.4Å; L218-I252 HydrophobicContact CD1-CB 4.37Å; L218-I252 HydrophobicContact CD1-CG1 3.84Å; L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.31Å; L218-R256 PolarHBondContact O-NE 2.91Å; L218-R256 PolarHBondContact O-NH2 3.43Å
219C98.7Very high97.9Very high4 Ų447.2 Ų47.23%0.02723%0.226CC..  trans-77.3153.5-177.3-67.50000112.7K215 R256 P260 Y308K215-C219 VanDerWaalsContact O-CB 3.24Å; K215-C219 WeakPolarHBondContact O-CB 3.47Å; K215-C219 PolarHBondContact O-N 3.25Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.46Å; C219-R256 WeakPolarHBondContact CB-O 3.49Å; C219-R256 PolarHBondContact SG-O 3.22Å; C219-R256 VanDerWaalsContact SG-O 3.39Å; C219-P260 HydrophobicContact CB-CG 4.48Å; C219-Y308 HydrophobicContact CB-CD1 4.1Å; C219-Y308 HydrophobicContact CB-CE1 3.57Å
220Y98.7Very high98.1Very high35 Ų3548.6 Ų48.614%0.13724%0.242CC..  trans-155.4159-179.865.9-81.4000110.1E228 R256 F257 P260Y220-E228 PolarHBondContact OH-OE1 2.84Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.81Å; Y220-R256 PolarHBondContact N-O 3.14Å; Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.27Å; Y220-F257 HydrophobicContact CE1-CD1 4.31Å; Y220-F257 HydrophobicContact CE2-CB 4.04Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.25Å; Y220-F257 WeakPolarHBondContact O-CA 3.4Å; Y220-F257 WeakPolarHBondContact O-CB 3.31Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.44Å; Y220-P260 WeakPolarHBondContact O-CG 3.46Å
221V98.8Very high98.1Very high4 Ų449.3 Ų49.32%0.02425%0.248CC..  trans-90.9124.3176.4173.20000109.3P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.88Å; V221-P260 HydrophobicContact CG2-CG 4.24Å; V221-F264 HydrophobicContact CG1-CD2 4.45Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.04Å; V221-F264 HydrophobicContact CG2-CE2 4.12Å; V221-Y308 HydrophobicContact CG2-CD2 4.46Å; V221-Y308 HydrophobicContact CG2-CG 4.34Å; V221-P309 PolarHBondContact N-O 2.81Å; V221-I311 HydrophobicContact CB-CB 4.29Å; V221-I311 HydrophobicContact CG2-CB 3.94Å; V221-I311 HydrophobicContact CG2-CG1 4.11Å; V221-R314 HydrophobicContact CG1-CB 3.49Å; V221-R314 VanDerWaalsContact CG1-CB 3.49Å; V221-R314 HydrophobicContact CG1-CG 3.67Å
222A98.4Very high98Very high2 Ų250.4 Ų50.42%0.01726%0.258CS..  trans-73.4141.6172.700000111E228 F257 R314A222-E228 HydrophobicContact CB-CB 3.79Å; A222-E228 HydrophobicContact CB-CG 3.87Å; A222-F257 HydrophobicContact CB-CB 4.17Å; A222-F257 HydrophobicContact CB-CD2 4.24Å; A222-F257 HydrophobicContact CB-CG 4.38Å; A222-R314 WeakPolarHBondContact O-CD 3.38Å; A222-R314 PolarHBondContact O-NH1 3.02Å
223L98.5Very high97.9Very high93 Ų9351.4 Ų51.449%0.48728%0.281SS..SBendtrans-70.7-35.2174.8-17764.3000111.8D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.23Å; L223-R314 WeakPolarHBondContact O-CD 3.39Å; L223-K317 HydrophobicContact CD1-CB 4.08Å; L223-K317 HydrophobicContact CD1-CD 3.85Å; L223-K317 HydrophobicContact CG-CD 4.18Å; L223-K317 WeakPolarHBondContact O-CD 3.3Å; L223-K317 PolarHBondContact O-NZ 3.36Å
224D98.2Very high97.8Very high66 Ų6654.4 Ų54.435%0.35331%0.306SS..SBendtrans-135.5105.2174.5-166.5-61.6000108.6E226 N227 E228 K317D224-E226 PolarHBondContact O-N 3.25Å; D224-E226 PolarHBondContact OD1-N 2.99Å; D224-N227 HydrophobicContact CB-CB 4.02Å; D224-N227 PolarHBondContact OD1-N 2.79Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; D224-E228 WeakPolarHBondContact O-CB 3.38Å; D224-E228 PolarHBondContact O-N 3.28Å; D224-K317 IonicContact OD2-NZ 3Å; D224-K317 PolarHBondContact OD2-NZ 2.79Å; D224-K317 VanDerWaalsContact OD2-NZ 3.17Å
225F97.9Very high97.5Very high15 Ų1556.7 Ų56.77%0.06632%0.322CS..Hα-helixtrans-61.9-44.2-172.2176.6-102.4000112.4E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 2.99Å; F225-M229 HydrophobicContact CD1-CG 4.29Å; F225-M229 HydrophobicContact CD2-CG 4.5Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.03Å; F225-M229 HydrophobicContact CE2-SD 4.3Å; F225-M229 HydrophobicContact CZ-CG 3.66Å; F225-M229 HydrophobicContact CZ-SD 4.02Å; F225-M229 WeakPolarHBondContact O-CB 3.48Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 2.89Å; F225-F257 AromaticContact CD2-CD2 3.98Å; F225-F257 HydrophobicContact CD2-CD2 3.98Å; F225-F257 HydrophobicContact CD2-CE2 4.22Å; F225-F257 AromaticContact CE2-CD2 3.96Å; F225-F257 HydrophobicContact CE2-CD2 3.96Å; F225-F257 HydrophobicContact CE2-CE2 4.04Å; F225-R258 HydrophobicContact CE2-CB 4.47Å; F225-R258 HydrophobicContact CE2-CG 3.83Å; F225-R258 HydrophobicContact CZ-CG 4.02Å; F225-E261 HydrophobicContact CB-CG 4.43Å; F225-E261 HydrophobicContact CD1-CG 4.33Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.44Å; F225-E261 VanDerWaalsContact CD2-CG 3.44Å; F225-E261 HydrophobicContact CE2-CB 3.81Å; F225-E261 HydrophobicContact CE2-CG 3.69Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.23Å; F225-F268 AromaticContact CE1-CE2 3.99Å; F225-F268 HydrophobicContact CE1-CE2 3.99Å; F225-F268 AromaticContact CE1-CZ 3.81Å; F225-F268 HydrophobicContact CE1-CZ 3.81Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.66Å; F225-F268 HydrophobicContact CZ-CE2 3.66Å; F225-F268 AromaticContact CZ-CZ 3.95Å; F225-F268 HydrophobicContact CZ-CZ 3.95Å
226E97.7Very high97.3Very high127 Ų12760.3 Ų60.359%0.59335%0.348SS*.Hα-helixtrans-68-42-177.3-63.2-56.6147.400111.7D224 M229 A230D224-E226 PolarHBondContact O-N 3.25Å; D224-E226 PolarHBondContact OD1-N 2.99Å; E226-M229 WeakPolarHBondContact O-CB 3.47Å; E226-M229 PolarHBondContact O-N 3.06Å; E226-A230 PolarHBondContact O-N 2.76Å
227N97.6Very high97.1Very high101 Ų10158.8 Ų58.854%0.5435%0.35SS..Hα-helixtrans-65.5-39.5175.5-177.764.4000112.3D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.02Å; D224-N227 PolarHBondContact OD1-N 2.79Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; N227-A230 PolarHBondContact O-N 2.68Å; N227-T231 PolarHBondContact O-N 3.49Å; N227-T231 PolarHBondContact O-OG1 3.09Å
228E97.8Very high96.9Very high38 Ų3853.6 Ų53.618%0.17833%0.328CS..Hα-helixtrans-66.1-38.9176.1-159.183.8-163.300111.1Y220 A222 D224 F225 T231 A232 L238 F257Y220-E228 PolarHBondContact OH-OE1 2.84Å; A222-E228 HydrophobicContact CB-CB 3.79Å; A222-E228 HydrophobicContact CB-CG 3.87Å; D224-E228 WeakPolarHBondContact O-CB 3.38Å; D224-E228 PolarHBondContact O-N 3.28Å; F225-E228 PolarHBondContact O-N 2.99Å; E228-T231 PolarHBondContact O-N 2.83Å; E228-A232 WeakPolarHBondContact O-CB 3.42Å; E228-A232 PolarHBondContact O-N 3.04Å; E228-L238 HydrophobicContact CG-CD1 3.98Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.31Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.39Å; E228-F257 HydrophobicContact CB-CD2 4.16Å; E228-F257 HydrophobicContact CB-CE1 4.45Å; E228-F257 HydrophobicContact CB-CE2 3.85Å; E228-F257 HydrophobicContact CB-CZ 4.01Å; E228-F257 HydrophobicContact CG-CD1 3.72Å; E228-F257 HydrophobicContact CG-CD2 3.93Å; E228-F257 HydrophobicContact CG-CE1 3.61Å; E228-F257 HydrophobicContact CG-CE2 3.83Å; E228-F257 HydrophobicContact CG-CG 3.87Å; E228-F257 HydrophobicContact CG-CZ 3.68Å
229M97.7Very high96.9Very high49 Ų4956 Ų5624%0.24134%0.339CS..Hα-helixtrans-60.2-45.6172.5-80.2-58.6-63.700112.3F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.29Å; F225-M229 HydrophobicContact CD2-CG 4.5Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.03Å; F225-M229 HydrophobicContact CE2-SD 4.3Å; F225-M229 HydrophobicContact CZ-CG 3.66Å; F225-M229 HydrophobicContact CZ-SD 4.02Å; F225-M229 WeakPolarHBondContact O-CB 3.48Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 2.89Å; E226-M229 WeakPolarHBondContact O-CB 3.47Å; E226-M229 PolarHBondContact O-N 3.06Å; M229-T231 VanDerWaalsContact C-N 3.32Å; M229-T231 PolarHBondContact O-N 2.91Å; M229-A232 PolarHBondContact O-N 3.04Å; M229-A233 PolarHBondContact O-N 2.92Å; M229-N254 HydrophobicContact SD-CB 4.15Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.53Å; M229-F257 VanDerWaalsContact SD-CE2 3.53Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; M229-R258 HydrophobicContact SD-CG 3.73Å
230A97.7Very high96.8Very high59 Ų5960.8 Ų60.849%0.48836%0.359SS..Hα-helixtrans-63.3-38.4176.900000112.2E226 N227 A233 S234E226-A230 PolarHBondContact O-N 2.76Å; N227-A230 PolarHBondContact O-N 2.68Å; A230-A233 PolarHBondContact O-N 3Å; A230-S234 PolarHBondContact O-N 2.91Å; A230-S234 PolarHBondContact O-OG 3.43Å
231T97.2Very high96.8Very high46 Ų4663 Ų6328%0.28238%0.38SS..Hα-helixtrans-65.2-45.3175-57.20000111N227 E228 M229 A233 S234 S235 L238N227-T231 PolarHBondContact O-N 3.49Å; N227-T231 PolarHBondContact O-OG1 3.09Å; E228-T231 PolarHBondContact O-N 2.83Å; M229-T231 VanDerWaalsContact C-N 3.32Å; M229-T231 PolarHBondContact O-N 2.91Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 2.74Å; T231-S234 PolarHBondContact O-N 2.94Å; T231-S234 VanDerWaalsContact O-N 3.15Å; T231-S234 PolarHBondContact O-OG 2.88Å; T231-S235 WeakPolarHBondContact O-CB 3.3Å; T231-S235 PolarHBondContact O-N 3.27Å; T231-L238 HydrophobicContact CG2-CD1 3.95Å; T231-L238 HydrophobicContact CG2-CG 4.31Å
232A95.8Very high96.8Very high24 Ų2464.2 Ų64.220%0.19838%0.384CS..Hα-helixtrans-64.7-29.4178.100000113.2E228 M229 S234 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.42Å; E228-A232 PolarHBondContact O-N 3.04Å; M229-A232 PolarHBondContact O-N 3.04Å; A232-S234 VanDerWaalsContact C-N 3.33Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; A232-N254 HydrophobicContact CB-CB 3.86Å; A232-F257 HydrophobicContact CB-CE1 4.03Å; A232-F257 HydrophobicContact CB-CZ 3.91Å
233A95.4Very high96.7Very high94 Ų9470.7 Ų70.778%0.77741%0.414SS*.Hα-helixtrans-74.1-23.7176.300000113.2M229 A230 T231M229-A233 PolarHBondContact O-N 2.92Å; A230-A233 PolarHBondContact O-N 3Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 2.74Å
234S95.1Very high96.6Very high103 Ų10367.2 Ų67.272%0.7240%0.396SS*.Hα-helixtrans-109.5-13.6-174.654.90000114.1A230 T231 A232A230-S234 PolarHBondContact O-N 2.91Å; A230-S234 PolarHBondContact O-OG 3.43Å; T231-S234 PolarHBondContact O-N 2.94Å; T231-S234 VanDerWaalsContact O-N 3.15Å; T231-S234 PolarHBondContact O-OG 2.88Å; A232-S234 VanDerWaalsContact C-N 3.33Å
235S93Very high96.4Very high48 Ų4869.2 Ų69.234%0.33641%0.413SS..  trans-144.5140.5-174179.90000112.1T231 S237T231-S235 WeakPolarHBondContact O-CB 3.3Å; T231-S235 PolarHBondContact O-N 3.27Å; S235-S237 PolarHBondContact O-N 3.5Å; S235-S237 WeakPolarHBondContact OG-CB 3.34Å; S235-S237 PolarHBondContact OG-N 3Å; S235-S237 PolarHBondContact OG-OG 2.72Å
236S93.7Very high96.2Very high85 Ų8574.1 Ų74.159%0.59444%0.44SS*.G310 helixtrans-83.13.3169.257.80000113.4L238 E239S236-L238 PolarHBondContact O-N 3.09Å; S236-L238 VanDerWaalsContact O-N 3.09Å; S236-E239 WeakPolarHBondContact CB-OE2 3.35Å; S236-E239 WeakPolarHBondContact O-CB 3.35Å; S236-E239 PolarHBondContact O-N 3.24Å
237S94.6Very high96.1Very high80 Ų8070 Ų7056%0.55943%0.43SS*.G310 helixtrans-60.2-22.7-17858.20000114.1S235S235-S237 PolarHBondContact O-N 3.5Å; S235-S237 WeakPolarHBondContact OG-CB 3.34Å; S235-S237 PolarHBondContact OG-N 3Å; S235-S237 PolarHBondContact OG-OG 2.72Å
238L95.1Very high96Very high27 Ų2770.1 Ų70.114%0.14143%0.428CS..G310 helixtrans-89.8-7.7178-57.5-178.4000112.8E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 3.98Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.31Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.39Å; T231-L238 HydrophobicContact CG2-CD1 3.95Å; T231-L238 HydrophobicContact CG2-CG 4.31Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; S236-L238 PolarHBondContact O-N 3.09Å; S236-L238 VanDerWaalsContact O-N 3.09Å; L238-R256 WeakPolarHBondContact O-CD 3.41Å; L238-R256 PolarHBondContact O-NH1 3.3Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å
239E97.1Very high96Very high77 Ų7772.3 Ų72.336%0.3644%0.444SS..  trans-73.8145.9179.4-59.9-168.8139.100111.7R198 S236 T251 I252R198-E239 IonicContact CZ-OE1 3.9Å; R198-E239 IonicContact NH2-OE1 2.74Å; R198-E239 PolarHBondContact NH2-OE1 2.83Å; S236-E239 WeakPolarHBondContact CB-OE2 3.35Å; S236-E239 WeakPolarHBondContact O-CB 3.35Å; S236-E239 PolarHBondContact O-N 3.24Å; E239-T251 HydrophobicContact CB-CG2 3.74Å; E239-T251 HydrophobicContact CG-CG2 4.16Å; E239-I252 CarbonylContact C-O 3.33Å; E239-I252 WeakPolarHBondContact CA-O 3.45Å
240K97.9Very high95.9Very high103 Ų10370 Ų7045%0.44843%0.433SS..EExtended strand (participates in β ladder)trans-133.5140.8171.6-69.1-65.9178.5-1720110.4L218 I252L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.14Å; K240-I252 PolarHBondContact N-O 3.4Å; K240-I252 PolarHBondContact O-N 3.12Å
241S97.5Very high95.9Very high82 Ų8269.1 Ų69.157%0.57342%0.421SS*.EExtended strand (participates in β ladder)trans-82.6146.3172.7-55.90000110.8I250S241-I250 CarbonylContact C-O 3.55Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.41Å
242Y98.1Very high96Very high30 Ų3066.9 Ų66.912%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-133.8132.4173.4-176.8-86.6000109I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.74Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.33Å; D213-Y242 PolarHBondContact OD2-OH 2.69Å; I214-Y242 HydrophobicContact CB-CD2 4.49Å; I214-Y242 HydrophobicContact CD1-CD1 3.98Å; I214-Y242 HydrophobicContact CD1-CE1 4.15Å; I214-Y242 HydrophobicContact CD1-CG 4.27Å; I214-Y242 HydrophobicContact CG1-CD1 3.73Å; I214-Y242 HydrophobicContact CG1-CD2 3.62Å; I214-Y242 HydrophobicContact CG1-CE1 3.78Å; I214-Y242 HydrophobicContact CG1-CE2 3.64Å; I214-Y242 HydrophobicContact CG1-CG 3.67Å; K217-Y242 HydrophobicContact CD-CE2 4.41Å; L218-Y242 HydrophobicContact CD1-CD2 4.01Å; L218-Y242 HydrophobicContact CD1-CG 4.4Å; Y242-L244 HydrophobicContact CD1-CD2 4.05Å; Y242-L244 HydrophobicContact CE1-CD2 4.02Å; Y242-V249 CarbonylContact O-C 3.53Å; Y242-V249 WeakPolarHBondContact O-CA 3.26Å; Y242-I250 HydrophobicContact CD1-CG1 4.39Å; Y242-I250 PolarHBondContact N-O 2.91Å; Y242-I250 PolarHBondContact O-N 3.18Å
243E97.9Very high96Very high137 Ų13765.9 Ų65.964%0.6440%0.399SS*.EExtended strand (participates in β ladder)trans-92.6118.3178-171.2177.6164.200109.9V249E243-V249 HydrophobicContact CB-CG2 4.43Å; E243-V249 HydrophobicContact CG-CG2 4.36Å
244L96.3Very high96.1Very high20 Ų2063.1 Ų63.111%0.10537%0.371CS..  trans-72.3158.3174.8-64.5179.5000110.6F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 3.93Å; F202-L244 HydrophobicContact CZ-CD2 4.09Å; I210-L244 HydrophobicContact CG2-CD2 3.69Å; Y242-L244 HydrophobicContact CD1-CD2 4.05Å; Y242-L244 HydrophobicContact CE1-CD2 4.02Å; L244-D246 WeakPolarHBondContact CB-OD1 3.45Å; L244-D246 PolarHBondContact O-N 3.3Å; L244-G247 PolarHBondContact O-N 3.09Å; L244-Q248 HydrophobicContact CB-CB 4.4Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.33Å; L244-Q248 HydrophobicContact CD1-CB 4.14Å; L244-Q248 HydrophobicContact CD1-CG 4.33Å; L244-Q248 WeakPolarHBondContact CG-O 3.45Å; L244-Q248 PolarHBondContact N-O 3.37Å; L244-I250 HydrophobicContact CD1-CG2 3.76Å; L244-I250 HydrophobicContact CD2-CD1 3.93Å; L244-I250 HydrophobicContact CD2-CG1 4.39Å; L244-I250 HydrophobicContact CG-CD1 4.33Å; L244-I250 HydrophobicContact CG-CG1 4.35Å; L244-I250 HydrophobicContact CG-CG2 4.22Å
245P93.3Very high96.2Very high109 Ų10958.5 Ų58.571%0.70834%0.339SS*.THydrogen-bonded Turntrans-58.7-19-179.6-26.535.9000115.7I210 G247I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.23Å; P245-G247 VanDerWaalsContact C-N 3.33Å
246D93.5Very high96.5Very high118 Ų11857.7 Ų57.763%0.63133%0.328SS*.THydrogen-bonded Turntrans-88.61.8175.263.5-1000113.5L244 Q248L244-D246 WeakPolarHBondContact CB-OD1 3.45Å; L244-D246 PolarHBondContact O-N 3.3Å; D246-Q248 VanDerWaalsContact C-N 3.35Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.22Å; D246-Q248 PolarHBondContact OD1-N 3.35Å
247G95Very high96.7Very high39 Ų3953.7 Ų53.740%0.40230%0.3SS..SBendtrans86.4-2.6-177.600000114.3L244 P245 V249L244-G247 PolarHBondContact O-N 3.09Å; P245-G247 VanDerWaalsContact C-N 3.33Å; G247-V249 PolarHBondContact O-N 3.15Å
248Q95.7Very high96.9Very high105 Ų10552.3 Ų52.349%0.49128%0.283SS..  trans-69.8127.9175.5179.8-180-1.300110.3L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.4Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.33Å; L244-Q248 HydrophobicContact CD1-CB 4.14Å; L244-Q248 HydrophobicContact CD1-CG 4.33Å; L244-Q248 WeakPolarHBondContact CG-O 3.45Å; L244-Q248 PolarHBondContact N-O 3.37Å; D246-Q248 VanDerWaalsContact C-N 3.35Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.22Å; D246-Q248 PolarHBondContact OD1-N 3.35Å; Q248-I250 HydrophobicContact CG-CG2 4.34Å
249V97.4Very high97.1Very high84 Ų8451 Ų5151%0.50928%0.276SS..EExtended strand (participates in β ladder)trans-93.7121.1175.2-177.70000109.9Y242 E243 G247Y242-V249 CarbonylContact O-C 3.53Å; Y242-V249 WeakPolarHBondContact O-CA 3.26Å; E243-V249 HydrophobicContact CB-CG2 4.43Å; E243-V249 HydrophobicContact CG-CG2 4.36Å; G247-V249 PolarHBondContact O-N 3.15Å
250I97.1Very high97.1Very high1 Ų147.4 Ų47.41%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-107.5158174.762.9170.6000110.8Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.38Å; Y200-I250 HydrophobicContact CD2-CD1 4.49Å; Y200-I250 HydrophobicContact CE1-CB 3.89Å; Y200-I250 HydrophobicContact CE1-CG2 3.59Å; Y200-I250 HydrophobicContact CE2-CB 4Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; F202-I250 HydrophobicContact CZ-CD1 3.9Å; I214-I250 HydrophobicContact CD1-CD1 4.02Å; S241-I250 CarbonylContact C-O 3.55Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.41Å; Y242-I250 HydrophobicContact CD1-CG1 4.39Å; Y242-I250 PolarHBondContact N-O 2.91Å; Y242-I250 PolarHBondContact O-N 3.18Å; L244-I250 HydrophobicContact CD1-CG2 3.76Å; L244-I250 HydrophobicContact CD2-CD1 3.93Å; L244-I250 HydrophobicContact CD2-CG1 4.39Å; L244-I250 HydrophobicContact CG-CD1 4.33Å; L244-I250 HydrophobicContact CG-CG1 4.35Å; L244-I250 HydrophobicContact CG-CG2 4.22Å; Q248-I250 HydrophobicContact CG-CG2 4.34Å; I250-I252 HydrophobicContact CD1-CD1 3.7Å; I250-I252 HydrophobicContact CG1-CD1 3.98Å
251T97.5Very high97.2Very high39 Ų3942.5 Ų42.524%0.23924%0.238CC..EExtended strand (participates in β ladder)trans-113.3122.1-179.3-59.90000110.4R198 Y200 E239R198-T251 PolarHBondContact NE-O 2.83Å; Y200-T251 WeakPolarHBondContact CE2-O 3.25Å; Y200-T251 PolarHBondContact OH-N 3.33Å; E239-T251 HydrophobicContact CB-CG2 3.74Å; E239-T251 HydrophobicContact CG-CG2 4.16Å
252I97.9Very high97.2Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-103.1120.9178-39.6-58.4000108.2L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.24Å; I214-I252 HydrophobicContact CD1-CD1 4.42Å; I214-I252 HydrophobicContact CG2-CD1 4.18Å; I214-I252 HydrophobicContact CG2-CG1 4Å; I214-I252 HydrophobicContact CG2-CG2 4.41Å; L218-I252 HydrophobicContact CD1-CB 4.37Å; L218-I252 HydrophobicContact CD1-CG1 3.84Å; E239-I252 CarbonylContact C-O 3.33Å; E239-I252 WeakPolarHBondContact CA-O 3.45Å; K240-I252 PolarHBondContact N-O 3.4Å; K240-I252 PolarHBondContact O-N 3.12Å; I250-I252 HydrophobicContact CD1-CD1 3.7Å; I250-I252 HydrophobicContact CG1-CD1 3.98Å; I252-E255 HydrophobicContact CG2-CB 4.06Å; I252-R256 HydrophobicContact CB-CG 4.12Å; I252-R256 HydrophobicContact CG2-CG 3.64Å; I252-R256 WeakPolarHBondContact O-CD 3.38Å
253G97.2Very high97.2Very high3 Ų337.2 Ų37.23%0.03121%0.205CC..  trans-105.8-118.1-176.900000112.2E255 R256G253-E255 VanDerWaalsContact CA-OE2 3.25Å; G253-E255 WeakPolarHBondContact CA-OE2 3.47Å; G253-E255 PolarHBondContact N-OE2 3.09Å; G253-E255 PolarHBondContact O-N 3.13Å; G253-E255 VanDerWaalsContact O-N 3.16Å; G253-R256 WeakPolarHBondContact O-CB 3.34Å; G253-R256 WeakPolarHBondContact O-CG 3.31Å; G253-R256 PolarHBondContact O-N 3.01Å; G253-R256 VanDerWaalsContact O-N 3.17Å
254N97.5Very high97.2Very high35 Ų3531 Ų3119%0.18718%0.176CC..THydrogen-bonded Turntrans-66.2-14.9-177.465.532.9000113.8M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.15Å; A232-N254 HydrophobicContact CB-CB 3.86Å; N254-R256 PolarHBondContact O-N 3.22Å; N254-R256 VanDerWaalsContact O-N 3.11Å; N254-F257 HydrophobicContact CB-CE1 3.72Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 2.81Å; N254-F257 VanDerWaalsContact O-N 3.14Å; N254-R258 HydrophobicContact CB-CG 4.42Å; N254-R258 VanDerWaalsContact CG-CD 3.45Å; N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 VanDerWaalsContact O-CG 3.28Å; N254-R258 WeakPolarHBondContact O-CG 3.38Å; N254-R258 PolarHBondContact O-N 3.03Å; N254-R258 WeakPolarHBondContact OD1-CD 3.42Å; N254-R258 PolarHBondContact OD1-NH1 2.91Å; N254-R258 VanDerWaalsContact OD1-NH1 3.1Å
255E97.9Very high97.3Very high7 Ų732.9 Ų32.93%0.03318%0.184CC..Hα-helixtrans-56.9-28173.4-55.380.2-17200111.3L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 3.85Å; I194-E255 HydrophobicContact CB-CG 4.26Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 3.93Å; I194-E255 HydrophobicContact CG1-CB 3.97Å; I194-E255 HydrophobicContact CG1-CG 3.79Å; L195-E255 HydrophobicContact CD2-CB 4.39Å; L195-E255 HydrophobicContact CD2-CG 4.21Å; R198-E255 WeakPolarHBondContact CD-OE1 3.19Å; R198-E255 IonicContact NH1-OE1 3.44Å; R198-E255 PolarHBondContact NH1-OE1 3.29Å; R198-E255 IonicContact NH1-OE2 2.72Å; R198-E255 PolarHBondContact NH1-OE2 3.34Å; I252-E255 HydrophobicContact CG2-CB 4.06Å; G253-E255 VanDerWaalsContact CA-OE2 3.25Å; G253-E255 WeakPolarHBondContact CA-OE2 3.47Å; G253-E255 PolarHBondContact N-OE2 3.09Å; G253-E255 PolarHBondContact O-N 3.13Å; G253-E255 VanDerWaalsContact O-N 3.16Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 3.02Å; E255-C259 VanDerWaalsContact O-CB 3.25Å; E255-C259 WeakPolarHBondContact O-CB 3.31Å; E255-C259 PolarHBondContact O-N 2.98Å; E255-C259 VanDerWaalsContact O-N 3.1Å
256R98.4Very high97.5Very high31 Ų3127.9 Ų27.912%0.11715%0.151CC..Hα-helixtrans-56.9-39.9177.4-64.7178.166.2-138.7-10.4112.9L218 C219 Y220 L238 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.31Å; L218-R256 PolarHBondContact O-NE 2.91Å; L218-R256 PolarHBondContact O-NH2 3.43Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.46Å; C219-R256 WeakPolarHBondContact CB-O 3.49Å; C219-R256 PolarHBondContact SG-O 3.22Å; C219-R256 VanDerWaalsContact SG-O 3.39Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.81Å; Y220-R256 PolarHBondContact N-O 3.14Å; L238-R256 WeakPolarHBondContact O-CD 3.41Å; L238-R256 PolarHBondContact O-NH1 3.3Å; I252-R256 HydrophobicContact CB-CG 4.12Å; I252-R256 HydrophobicContact CG2-CG 3.64Å; I252-R256 WeakPolarHBondContact O-CD 3.38Å; G253-R256 WeakPolarHBondContact O-CB 3.34Å; G253-R256 WeakPolarHBondContact O-CG 3.31Å; G253-R256 PolarHBondContact O-N 3.01Å; G253-R256 VanDerWaalsContact O-N 3.17Å; N254-R256 PolarHBondContact O-N 3.22Å; N254-R256 VanDerWaalsContact O-N 3.11Å; R256-P260 WeakPolarHBondContact O-CD 3.46Å
257F98.4Very high97.7Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-110.7-20.3-18064-95000113.8Y220 A222 F225 E228 M229 A232 L238 N254 E255 P260 E261Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.27Å; Y220-F257 HydrophobicContact CE1-CD1 4.31Å; Y220-F257 HydrophobicContact CE2-CB 4.04Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.25Å; Y220-F257 WeakPolarHBondContact O-CA 3.4Å; Y220-F257 WeakPolarHBondContact O-CB 3.31Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.44Å; A222-F257 HydrophobicContact CB-CB 4.17Å; A222-F257 HydrophobicContact CB-CD2 4.24Å; A222-F257 HydrophobicContact CB-CG 4.38Å; F225-F257 AromaticContact CD2-CD2 3.98Å; F225-F257 HydrophobicContact CD2-CD2 3.98Å; F225-F257 HydrophobicContact CD2-CE2 4.22Å; F225-F257 AromaticContact CE2-CD2 3.96Å; F225-F257 HydrophobicContact CE2-CD2 3.96Å; F225-F257 HydrophobicContact CE2-CE2 4.04Å; E228-F257 HydrophobicContact CB-CD2 4.16Å; E228-F257 HydrophobicContact CB-CE1 4.45Å; E228-F257 HydrophobicContact CB-CE2 3.85Å; E228-F257 HydrophobicContact CB-CZ 4.01Å; E228-F257 HydrophobicContact CG-CD1 3.72Å; E228-F257 HydrophobicContact CG-CD2 3.93Å; E228-F257 HydrophobicContact CG-CE1 3.61Å; E228-F257 HydrophobicContact CG-CE2 3.83Å; E228-F257 HydrophobicContact CG-CG 3.87Å; E228-F257 HydrophobicContact CG-CZ 3.68Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.53Å; M229-F257 VanDerWaalsContact SD-CE2 3.53Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; A232-F257 HydrophobicContact CB-CE1 4.03Å; A232-F257 HydrophobicContact CB-CZ 3.91Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å; N254-F257 HydrophobicContact CB-CE1 3.72Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 2.81Å; N254-F257 VanDerWaalsContact O-N 3.14Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 3.02Å; F257-P260 WeakPolarHBondContact O-CD 3.36Å; F257-E261 PolarHBondContact O-N 2.93Å
258R98Very high97.6Very high52 Ų5227.1 Ų27.120%0.19614%0.141CC..Hα-helixtrans-65.7-38.8170.4-72.3172.669.5-158-3112.8I194 E197 F225 M229 N254 E261I194-R258 HydrophobicContact CD1-CB 4.31Å; E197-R258 IonicContact OE2-NH2 3.37Å; F225-R258 HydrophobicContact CE2-CB 4.47Å; F225-R258 HydrophobicContact CE2-CG 3.83Å; F225-R258 HydrophobicContact CZ-CG 4.02Å; M229-R258 HydrophobicContact SD-CG 3.73Å; N254-R258 HydrophobicContact CB-CG 4.42Å; N254-R258 VanDerWaalsContact CG-CD 3.45Å; N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 VanDerWaalsContact O-CG 3.28Å; N254-R258 WeakPolarHBondContact O-CG 3.38Å; N254-R258 PolarHBondContact O-N 3.03Å; N254-R258 WeakPolarHBondContact OD1-CD 3.42Å; N254-R258 PolarHBondContact OD1-NH1 2.91Å; N254-R258 VanDerWaalsContact OD1-NH1 3.1Å; R258-E261 WeakPolarHBondContact O-CB 3.4Å; R258-E261 PolarHBondContact O-N 3.31Å
259C98.6Very high97.6Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-56.4-58.5178.9168.40000112.5L187 Y190 L191 I194 E255 E261 T262L187-C259 PolarHBondContact O-SG 3.28Å; Y190-C259 HydrophobicContact CD1-CB 4.47Å; L191-C259 HydrophobicContact CB-CB 4.27Å; L191-C259 HydrophobicContact CD1-CB 4.02Å; I194-C259 HydrophobicContact CD1-CB 4.22Å; E255-C259 VanDerWaalsContact O-CB 3.25Å; E255-C259 WeakPolarHBondContact O-CB 3.31Å; E255-C259 PolarHBondContact O-N 2.98Å; E255-C259 VanDerWaalsContact O-N 3.1Å; C259-E261 VanDerWaalsContact C-N 3.26Å; C259-E261 PolarHBondContact O-N 3.26Å; C259-T262 WeakPolarHBondContact O-CG2 3.19Å; C259-T262 PolarHBondContact O-N 2.93Å; C259-T262 PolarHBondContact O-OG1 3.06Å
260P98.5Very high97.5Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-73.6-13.618030.1-36.7000113.9C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.48Å; Y220-P260 WeakPolarHBondContact O-CG 3.46Å; V221-P260 HydrophobicContact CG2-CB 3.88Å; V221-P260 HydrophobicContact CG2-CG 4.24Å; R256-P260 WeakPolarHBondContact O-CD 3.46Å; F257-P260 WeakPolarHBondContact O-CD 3.36Å; P260-T262 PolarHBondContact O-N 3.26Å; P260-L263 WeakPolarHBondContact O-CB 3.34Å; P260-L263 PolarHBondContact O-N 3.03Å; P260-L263 VanDerWaalsContact O-N 3.09Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.85Å; P260-Y308 HydrophobicContact CB-CE1 4.3Å; P260-Y308 HydrophobicContact CB-CE2 3.75Å; P260-Y308 HydrophobicContact CB-CG 4.18Å
261E98.6Very high97.4Very high1 Ų125.8 Ų25.81%0.00515%0.149CC..Hα-helixtrans-59-26.9173.1-174.163-163.200111.8F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.43Å; F225-E261 HydrophobicContact CD1-CG 4.33Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.44Å; F225-E261 VanDerWaalsContact CD2-CG 3.44Å; F225-E261 HydrophobicContact CE2-CB 3.81Å; F225-E261 HydrophobicContact CE2-CG 3.69Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.23Å; F257-E261 PolarHBondContact O-N 2.93Å; R258-E261 WeakPolarHBondContact O-CB 3.4Å; R258-E261 PolarHBondContact O-N 3.31Å; C259-E261 VanDerWaalsContact C-N 3.26Å; C259-E261 PolarHBondContact O-N 3.26Å; E261-L263 PolarHBondContact O-N 3.44Å; E261-L263 VanDerWaalsContact O-N 3.11Å; E261-F264 CarbonylContact O-C 3.58Å; E261-F264 WeakPolarHBondContact O-CA 3.38Å; E261-F264 PolarHBondContact O-N 3.3Å; E261-Q265 HydrophobicContact CG-CG 4.34Å; E261-Q265 PolarHBondContact O-N 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 2.89Å; E261-F268 HydrophobicContact CB-CD2 4.47Å; E261-F268 HydrophobicContact CB-CE2 4.16Å; E261-F268 HydrophobicContact CG-CD2 4.3Å; E261-F268 HydrophobicContact CG-CE2 3.68Å; E261-F268 HydrophobicContact CG-CZ 4.38Å; E261-R314 IonicContact OE1-CZ 3.85Å; E261-R314 IonicContact OE1-NH1 3.3Å; E261-R314 IonicContact OE1-NH2 3.18Å; E261-R314 PolarHBondContact OE1-NH2 3.16Å; E261-R314 IonicContact OE2-CZ 3.17Å; E261-R314 IonicContact OE2-NH1 3.36Å; E261-R314 PolarHBondContact OE2-NH1 2.68Å; E261-R314 IonicContact OE2-NH2 2.83Å; E261-R314 PolarHBondContact OE2-NH2 3.18Å
262T98.1Very high97.3Very high0 Ų033.5 Ų33.50%018%0.182CC..THydrogen-bonded Turntrans-59.3-24.5176.662.10000113.2L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 VanDerWaalsContact CD2-O 3.31Å; L182-T262 WeakPolarHBondContact CD2-O 3.25Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.5Å; Y190-T262 HydrophobicContact CD1-CG2 3.34Å; Y190-T262 HydrophobicContact CE1-CG2 3.32Å; Y190-T262 HydrophobicContact CG-CG2 4.03Å; C259-T262 WeakPolarHBondContact O-CG2 3.19Å; C259-T262 PolarHBondContact O-N 2.93Å; C259-T262 PolarHBondContact O-OG1 3.06Å; P260-T262 PolarHBondContact O-N 3.26Å; T262-F264 PolarHBondContact O-N 3.28Å; T262-Q265 CarbonylContact O-C 3.52Å; T262-Q265 PolarHBondContact O-N 3.49Å; T262-P266 VanDerWaalsContact O-CA 3.31Å; T262-P266 WeakPolarHBondContact O-CA 3.1Å; T262-P266 WeakPolarHBondContact O-CD 3.45Å; T262-F268 HydrophobicContact CG2-CB 3.83Å; T262-F268 HydrophobicContact CG2-CD2 4.43Å; T262-I269 HydrophobicContact CG2-CG2 3.83Å
263L98.6Very high97.2Very high1 Ų136.3 Ų36.31%0.00520%0.202CC..THydrogen-bonded Turntrans-62.9-33.1171.1-65172.4000111.8L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.41Å; L187-L263 HydrophobicContact CD1-CD1 4.15Å; L187-L263 HydrophobicContact CD1-CD2 4.2Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CD2 4.43Å; L187-L263 HydrophobicContact CD2-CG 4.32Å; P260-L263 WeakPolarHBondContact O-CB 3.34Å; P260-L263 PolarHBondContact O-N 3.03Å; P260-L263 VanDerWaalsContact O-N 3.09Å; E261-L263 PolarHBondContact O-N 3.44Å; E261-L263 VanDerWaalsContact O-N 3.11Å; L263-G275 CarbonylContact O-C 3.52Å; L263-G275 VanDerWaalsContact O-CA 3.27Å; L263-G275 WeakPolarHBondContact O-CA 3.38Å; L263-I276 HydrophobicContact CB-CD1 3.93Å; L263-I276 HydrophobicContact CB-CG1 4.15Å; L263-I276 HydrophobicContact CB-CG2 4.24Å; L263-I276 HydrophobicContact CD1-CD1 4.46Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 WeakPolarHBondContact O-CG1 3.31Å; L263-I276 PolarHBondContact O-N 2.84Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.01Å; L263-T305 HydrophobicContact CG-CG2 4.49Å; L263-Y308 HydrophobicContact CD1-CD2 4.34Å; L263-Y308 HydrophobicContact CD1-CE2 4.32Å; L263-I311 HydrophobicContact CD1-CD1 4.39Å
264F98.6Very high97.2Very high6 Ų637.5 Ų37.53%0.02621%0.212CC..THydrogen-bonded Turntrans-91.8-30.5177.4-61.2-93000111.5V221 E261 T262 G275 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CD2 4.45Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.04Å; V221-F264 HydrophobicContact CG2-CE2 4.12Å; E261-F264 CarbonylContact O-C 3.58Å; E261-F264 WeakPolarHBondContact O-CA 3.38Å; E261-F264 PolarHBondContact O-N 3.3Å; T262-F264 PolarHBondContact O-N 3.28Å; F264-G275 WeakPolarHBondContact O-CA 3.37Å; F264-I276 HydrophobicContact CD1-CG1 4.24Å; F264-I276 HydrophobicContact CE1-CD1 4.1Å; F264-I276 HydrophobicContact CE1-CG1 4.03Å; F264-I276 HydrophobicContact CE2-CD1 4.05Å; F264-I276 HydrophobicContact CZ-CD1 3.75Å; F264-I276 HydrophobicContact CZ-CG1 4.17Å; F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.99Å; F264-H277 AromaticContact CD1-ND1 3.41Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.46Å; F264-H277 HydrophobicContact CE1-CB 4.37Å; F264-H277 PolarHBondContact O-CE1 3.27Å; F264-I311 HydrophobicContact CZ-CG1 4.2Å; F264-R314 HydrophobicContact CD1-CG 4Å; F264-R314 HydrophobicContact CE1-CB 4.29Å; F264-R314 HydrophobicContact CE1-CG 3.44Å; F264-R314 VanDerWaalsContact CE1-CG 3.44Å; F264-R314 HydrophobicContact CE2-CG 4Å; F264-R314 HydrophobicContact CZ-CB 3.98Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; F264-M315 HydrophobicContact CE1-CG 4.32Å; F264-M315 HydrophobicContact CE1-SD 3.81Å; F264-M315 HydrophobicContact CZ-CG 4.28Å; F264-M315 HydrophobicContact CZ-SD 4.2Å; F264-E318 HydrophobicContact CD1-CG 4.32Å; F264-E318 HydrophobicContact CE1-CG 4.43Å
265Q97.8Very high97.2Very high59 Ų5935.9 Ų35.928%0.27620%0.203SC..  trans-129.477.2-179.8-57.2-172.534.800111.4E261 T262 S267 F268E261-Q265 HydrophobicContact CG-CG 4.34Å; E261-Q265 PolarHBondContact O-N 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 2.89Å; T262-Q265 CarbonylContact O-C 3.52Å; T262-Q265 PolarHBondContact O-N 3.49Å; Q265-S267 PolarHBondContact O-N 3.23Å; Q265-F268 HydrophobicContact CB-CD1 4.21Å; Q265-F268 HydrophobicContact CB-CE1 4.22Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 HydrophobicContact CB-CZ 4.39Å; Q265-F268 WeakPolarHBondContact O-CB 3.33Å; Q265-F268 PolarHBondContact O-N 2.9Å; Q265-F268 VanDerWaalsContact O-N 3.08Å
266P98.1Very high97.2Very high4 Ų435.7 Ų35.73%0.02620%0.202CC..G310 helixtrans-58.5-20.5-179.2-27.336.9000114.2L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 3.92Å; L182-P266 HydrophobicContact CD2-CG 3.92Å; T262-P266 VanDerWaalsContact O-CA 3.31Å; T262-P266 WeakPolarHBondContact O-CA 3.1Å; T262-P266 WeakPolarHBondContact O-CD 3.45Å; P266-F268 PolarHBondContact O-N 3.2Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.43Å; P266-I269 PolarHBondContact O-N 3.2Å; P266-I269 VanDerWaalsContact O-N 3.1Å; P266-M271 CarbonylContact C-O 3.55Å; P266-M271 HydrophobicContact CB-CB 3.79Å; P266-M271 PolarHBondContact O-N 2.84Å; P266-M271 VanDerWaalsContact O-N 3.13Å; P266-S273 WeakPolarHBondContact CG-O 3.25Å
267S96.8Very high97.2Very high79 Ų7935 Ų3555%0.55220%0.2SC*.G310 helixtrans-57.7-25.217560.50000113.7Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 3.23Å; S267-I269 PolarHBondContact O-N 2.87Å; S267-G270 PolarHBondContact O-N 3.11Å; S267-M271 WeakPolarHBondContact CA-O 3.46Å; S267-M271 PolarHBondContact N-O 2.8Å
268F93.6Very high97.2Very high62 Ų6238.9 Ų38.927%0.27222%0.219SC..G310 helixtrans-62.1-22.9176.8-79.211.3000113.6F225 E261 T262 Q265 P266F225-F268 AromaticContact CE1-CE2 3.99Å; F225-F268 HydrophobicContact CE1-CE2 3.99Å; F225-F268 AromaticContact CE1-CZ 3.81Å; F225-F268 HydrophobicContact CE1-CZ 3.81Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.66Å; F225-F268 HydrophobicContact CZ-CE2 3.66Å; F225-F268 AromaticContact CZ-CZ 3.95Å; F225-F268 HydrophobicContact CZ-CZ 3.95Å; E261-F268 HydrophobicContact CB-CD2 4.47Å; E261-F268 HydrophobicContact CB-CE2 4.16Å; E261-F268 HydrophobicContact CG-CD2 4.3Å; E261-F268 HydrophobicContact CG-CE2 3.68Å; E261-F268 HydrophobicContact CG-CZ 4.38Å; T262-F268 HydrophobicContact CG2-CB 3.83Å; T262-F268 HydrophobicContact CG2-CD2 4.43Å; Q265-F268 HydrophobicContact CB-CD1 4.21Å; Q265-F268 HydrophobicContact CB-CE1 4.22Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 HydrophobicContact CB-CZ 4.39Å; Q265-F268 WeakPolarHBondContact O-CB 3.33Å; Q265-F268 PolarHBondContact O-N 2.9Å; Q265-F268 VanDerWaalsContact O-N 3.08Å; P266-F268 PolarHBondContact O-N 3.2Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I95.6Very high97.3Very high49 Ų4936.8 Ų36.825%0.25121%0.212SC..G310 helixtrans-109.713.3174.156.4170.4000112.3L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.39Å; L182-I269 HydrophobicContact CD2-CD1 4.12Å; L182-I269 HydrophobicContact CG-CD1 4.34Å; Y190-I269 HydrophobicContact CD1-CG2 4.23Å; Y190-I269 HydrophobicContact CD2-CG2 3.39Å; Y190-I269 HydrophobicContact CE2-CG2 3.99Å; Y190-I269 HydrophobicContact CG-CG2 3.51Å; T262-I269 HydrophobicContact CG2-CG2 3.83Å; P266-I269 WeakPolarHBondContact O-CG1 3.43Å; P266-I269 PolarHBondContact O-N 3.2Å; P266-I269 VanDerWaalsContact O-N 3.1Å; S267-I269 PolarHBondContact O-N 2.87Å; I269-M271 HydrophobicContact CD1-CG 4.02Å; I269-M271 HydrophobicContact CD1-SD 3.43Å; I269-M271 WeakPolarHBondContact CD1-SD 3.47Å; I269-M271 HydrophobicContact CG1-CB 4.39Å; I269-M271 HydrophobicContact CG1-CG 3.97Å; I269-M271 HydrophobicContact CG1-SD 4.04Å
270G94.9Very high97.3Very high65 Ų6536.9 Ų36.967%0.6721%0.212SC*.THydrogen-bonded Turntrans78.315.3179.400000114.4S267S267-G270 PolarHBondContact O-N 3.11Å
271M95.5Very high97.3Very high48 Ų4839.6 Ų39.624%0.23622%0.223CC..  trans-88.4121.1175.3-68.1179.372.400110.8L180 D181 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 4.26Å; D181-M271 WeakPolarHBondContact O-CE 3.28Å; L182-M271 HydrophobicContact CB-CE 4.08Å; L182-M271 HydrophobicContact CB-SD 4.06Å; L182-M271 HydrophobicContact CD1-SD 4.38Å; L182-M271 HydrophobicContact CD2-SD 4.32Å; L182-M271 HydrophobicContact CG-SD 4.47Å; P266-M271 CarbonylContact C-O 3.55Å; P266-M271 HydrophobicContact CB-CB 3.79Å; P266-M271 PolarHBondContact O-N 2.84Å; P266-M271 VanDerWaalsContact O-N 3.13Å; S267-M271 WeakPolarHBondContact CA-O 3.46Å; S267-M271 PolarHBondContact N-O 2.8Å; I269-M271 HydrophobicContact CD1-CG 4.02Å; I269-M271 HydrophobicContact CD1-SD 3.43Å; I269-M271 WeakPolarHBondContact CD1-SD 3.47Å; I269-M271 HydrophobicContact CG1-CB 4.39Å; I269-M271 HydrophobicContact CG1-CG 3.97Å; I269-M271 HydrophobicContact CG1-SD 4.04Å; M271-S273 VanDerWaalsContact C-N 3.25Å; M271-S273 PolarHBondContact O-N 2.88Å
272E94.2Very high97.2Very high201 Ų20142.3 Ų42.394%0.93924%0.237SC*.  trans-81.371.7171.4-65.4-174.9175.400109.9
273S95.4Very high97.3Very high60 Ų6042.3 Ų42.342%0.4224%0.237SC..SBendtrans-144.2152.6-180-680000111P266 M271P266-S273 WeakPolarHBondContact CG-O 3.25Å; M271-S273 VanDerWaalsContact C-N 3.25Å; M271-S273 PolarHBondContact O-N 2.88Å
274A97.5Very high97.3Very high28 Ų2842.3 Ų42.323%0.23124%0.237CC..  trans-67.5147.8174.300000111.1E278 T279A274-E278 HydrophobicContact CB-CB 3.87Å; A274-E278 WeakPolarHBondContact CB-OE2 3.32Å; A274-T279 HydrophobicContact CB-CG2 3.85Å
275G98.3Very high97.2Very high1 Ų144.3 Ų44.31%0.0125%0.247CC..  trans-68.5171.7176.100000113.5L263 F264 H277 E278 T279L263-G275 CarbonylContact O-C 3.52Å; L263-G275 VanDerWaalsContact O-CA 3.27Å; L263-G275 WeakPolarHBondContact O-CA 3.38Å; F264-G275 WeakPolarHBondContact O-CA 3.37Å; G275-H277 VanDerWaalsContact C-N 3.28Å; G275-H277 PolarHBondContact O-N 2.64Å; G275-E278 PolarHBondContact O-N 2.79Å; G275-T279 WeakPolarHBondContact O-CB 3.3Å; G275-T279 WeakPolarHBondContact O-CG2 3.27Å; G275-T279 PolarHBondContact O-N 3.47Å; G275-T279 PolarHBondContact O-OG1 2.82Å
276I98.5Very high97.2Very high2 Ų246.7 Ų46.71%0.0126%0.257CS..Hα-helixtrans-59.6-35.8-178.657.2168.7000113.2L155 T162 L180 L263 F264 T279 T280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.23Å; L155-I276 HydrophobicContact CD1-CG2 4.3Å; L155-I276 HydrophobicContact CD2-CB 4.14Å; L155-I276 HydrophobicContact CD2-CD1 3.88Å; L155-I276 HydrophobicContact CD2-CG1 4.45Å; T162-I276 HydrophobicContact CG2-CG2 3.92Å; L180-I276 HydrophobicContact CD2-CG2 4.39Å; L263-I276 HydrophobicContact CB-CD1 3.93Å; L263-I276 HydrophobicContact CB-CG1 4.15Å; L263-I276 HydrophobicContact CB-CG2 4.24Å; L263-I276 HydrophobicContact CD1-CD1 4.46Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 WeakPolarHBondContact O-CG1 3.31Å; L263-I276 PolarHBondContact O-N 2.84Å; F264-I276 HydrophobicContact CD1-CG1 4.24Å; F264-I276 HydrophobicContact CE1-CD1 4.1Å; F264-I276 HydrophobicContact CE1-CG1 4.03Å; F264-I276 HydrophobicContact CE2-CD1 4.05Å; F264-I276 HydrophobicContact CZ-CD1 3.75Å; F264-I276 HydrophobicContact CZ-CG1 4.17Å; I276-T279 VanDerWaalsContact CA-OG1 3.25Å; I276-T279 WeakPolarHBondContact CA-OG1 3.41Å; I276-T279 PolarHBondContact O-OG1 3.02Å; I276-T279 VanDerWaalsContact O-OG1 3.04Å; I276-T280 WeakPolarHBondContact O-CB 3.49Å; I276-T280 PolarHBondContact O-N 3.33Å; I276-T280 PolarHBondContact O-OG1 2.86Å; I276-I311 HydrophobicContact CD1-CD1 4.19Å; I276-M315 HydrophobicContact CD1-SD 3.77Å; I276-M315 HydrophobicContact CG1-SD 3.84Å
277H98.4Very high97.2Very high17 Ų1746.6 Ų46.68%0.07926%0.256CS..Hα-helixtrans-68.8-46.417861.3-67.6000112F264 G275 T280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.99Å; F264-H277 AromaticContact CD1-ND1 3.41Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.46Å; F264-H277 HydrophobicContact CE1-CB 4.37Å; F264-H277 PolarHBondContact O-CE1 3.27Å; G275-H277 VanDerWaalsContact C-N 3.28Å; G275-H277 PolarHBondContact O-N 2.64Å; H277-T280 WeakPolarHBondContact O-CB 3.31Å; H277-T280 PolarHBondContact O-N 3.49Å; H277-Y281 PolarHBondContact O-N 3.28Å; H277-M315 HydrophobicContact CB-SD 3.97Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.25Å
278E98.3Very high97.2Very high82 Ų8248.3 Ų48.338%0.38326%0.259SS..Hα-helixtrans-66.3-42.5175.2-76177.3-172.400111.9A274 G275 T280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.87Å; A274-E278 WeakPolarHBondContact CB-OE2 3.32Å; G275-E278 PolarHBondContact O-N 2.79Å; E278-T280 VanDerWaalsContact C-N 3.33Å; E278-T280 PolarHBondContact O-N 3.02Å; E278-Y281 PolarHBondContact O-N 3.47Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.35Å; E278-N282 PolarHBondContact O-N 3.27Å; E278-N282 PolarHBondContact O-ND2 3.1Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; E278-L322 HydrophobicContact CG-CD1 4.11Å
279T98.3Very high97.4Very high8 Ų851.2 Ų51.25%0.04928%0.276CS..Hα-helixtrans-66.2-34.717750.90000112N164 M178 A274 G275 I276 S283N164-T279 WeakPolarHBondContact ND2-CB 3.46Å; N164-T279 PolarHBondContact ND2-OG1 3.32Å; M178-T279 WeakPolarHBondContact CG-O 3.31Å; A274-T279 HydrophobicContact CB-CG2 3.85Å; G275-T279 WeakPolarHBondContact O-CB 3.3Å; G275-T279 WeakPolarHBondContact O-CG2 3.27Å; G275-T279 PolarHBondContact O-N 3.47Å; G275-T279 PolarHBondContact O-OG1 2.82Å; I276-T279 VanDerWaalsContact CA-OG1 3.25Å; I276-T279 WeakPolarHBondContact CA-OG1 3.41Å; I276-T279 PolarHBondContact O-OG1 3.02Å; I276-T279 VanDerWaalsContact O-OG1 3.04Å; T279-S283 WeakPolarHBondContact O-CB 3.5Å; T279-S283 PolarHBondContact O-N 2.91Å
280T98.6Very high97.4Very high2 Ų255.6 Ų55.61%0.01230%0.3CS..Hα-helixtrans-61.3-51.2169.6-54.80000110.4I153 N164 I276 H277 E278 N282 S283 I284 N299 I319I153-T280 HydrophobicContact CD1-CG2 3.84Å; I153-T280 HydrophobicContact CG1-CG2 4.43Å; I153-T280 HydrophobicContact CG2-CG2 4.21Å; N164-T280 PolarHBondContact ND2-N 2.86Å; N164-T280 PolarHBondContact OD1-OG1 2.86Å; I276-T280 WeakPolarHBondContact O-CB 3.49Å; I276-T280 PolarHBondContact O-N 3.33Å; I276-T280 PolarHBondContact O-OG1 2.86Å; H277-T280 WeakPolarHBondContact O-CB 3.31Å; H277-T280 PolarHBondContact O-N 3.49Å; E278-T280 VanDerWaalsContact C-N 3.33Å; E278-T280 PolarHBondContact O-N 3.02Å; T280-N282 PolarHBondContact O-N 3.34Å; T280-S283 WeakPolarHBondContact O-CB 3.44Å; T280-S283 PolarHBondContact O-N 3.15Å; T280-I284 HydrophobicContact CG2-CD1 4.42Å; T280-I284 WeakPolarHBondContact O-CG1 3.35Å; T280-I284 PolarHBondContact O-N 2.92Å; T280-I284 VanDerWaalsContact O-N 3.12Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.12Å; T280-I319 HydrophobicContact CG2-CD1 3.72Å
281Y98.4Very high97.5Very high56 Ų5653.5 Ų53.522%0.2227%0.273CS..Hα-helixtrans-58.4-46.7177.8170.3-95.9000112.3H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 3.28Å; E278-Y281 PolarHBondContact O-N 3.47Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.37Å; Y281-I284 PolarHBondContact O-N 3.36Å; Y281-M285 HydrophobicContact CD1-CG 4.13Å; Y281-M285 HydrophobicContact CD2-CE 4.45Å; Y281-M285 HydrophobicContact CD2-CG 4.38Å; Y281-M285 HydrophobicContact CE1-CG 3.63Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 3.9Å; Y281-M285 HydrophobicContact CE2-SD 4.33Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.41Å; Y281-M285 PolarHBondContact O-N 2.97Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.34Å; Y281-L322 HydrophobicContact CD2-CB 3.69Å; Y281-L322 HydrophobicContact CE2-CB 4.12Å; Y281-L322 WeakPolarHBondContact CE2-O 3.34Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å
282N98.5Very high97.6Very high59 Ų5953.8 Ų53.832%0.31627%0.272SS..Hα-helixtrans-62.7-37.5179.2-71.7-26.8000111.9M178 E278 T280 M285 K286M178-N282 HydrophobicContact CE-CB 4.47Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.35Å; E278-N282 PolarHBondContact O-N 3.27Å; E278-N282 PolarHBondContact O-ND2 3.1Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; T280-N282 PolarHBondContact O-N 3.34Å; N282-M285 PolarHBondContact O-N 2.77Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 3.3Å
283S98.6Very high97.8Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-60.7-47.4173.5-178.20000111.5I153 P166 A176 T279 T280 Y281 M285 K286 C287I153-S283 WeakPolarHBondContact CD1-OG 2.83Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.32Å; P166-S283 WeakPolarHBondContact CG-OG 3.32Å; A176-S283 WeakPolarHBondContact O-CA 3.5Å; A176-S283 WeakPolarHBondContact O-CB 3.28Å; A176-S283 PolarHBondContact O-OG 3.02Å; T279-S283 WeakPolarHBondContact O-CB 3.5Å; T279-S283 PolarHBondContact O-N 2.91Å; T280-S283 WeakPolarHBondContact O-CB 3.44Å; T280-S283 PolarHBondContact O-N 3.15Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.37Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 2.92Å; S283-K286 PolarHBondContact O-N 3.33Å; S283-C287 PolarHBondContact O-N 2.89Å; S283-C287 PolarHBondContact O-SG 2.86Å
284I98.4Very high97.9Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-63.6-38.4175.8-60.7171.5000111.1I153 T280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.32Å; I153-I284 HydrophobicContact CD1-CG1 3.68Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.42Å; T280-I284 HydrophobicContact CG2-CD1 4.42Å; T280-I284 WeakPolarHBondContact O-CG1 3.35Å; T280-I284 PolarHBondContact O-N 2.92Å; T280-I284 VanDerWaalsContact O-N 3.12Å; Y281-I284 PolarHBondContact O-N 3.36Å; I284-K286 VanDerWaalsContact C-N 3.27Å; I284-K286 PolarHBondContact O-N 3.41Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.29Å; I284-C287 PolarHBondContact O-N 3.38Å; I284-C287 VanDerWaalsContact O-N 3.08Å; I284-R292 HydrophobicContact CG2-CB 3.85Å; I284-R292 HydrophobicContact CG2-CG 3.85Å; I284-R292 PolarHBondContact O-NE 2.83Å; I284-L295 HydrophobicContact CD1-CB 4.34Å; I284-L295 HydrophobicContact CG1-CB 4.08Å; I284-L295 HydrophobicContact CG1-CD1 4.38Å; I284-L295 HydrophobicContact CG2-CB 4.27Å; I284-L295 HydrophobicContact CG2-CD1 4.27Å; I284-Y296 HydrophobicContact CB-CE1 4.41Å; I284-Y296 HydrophobicContact CD1-CD1 3.44Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.44Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.16Å; I284-Y296 HydrophobicContact CG2-CD1 4.49Å; I284-Y296 HydrophobicContact CG2-CD2 4.14Å; I284-Y296 HydrophobicContact CG2-CE1 4.1Å; I284-Y296 HydrophobicContact CG2-CE2 3.7Å
285M97.7Very high97.9Very high49 Ų4949.9 Ų49.924%0.24124%0.242CC..Hα-helixtrans-68.6-22.3178.3-75.5-65.8133.400114.1Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.13Å; Y281-M285 HydrophobicContact CD2-CE 4.45Å; Y281-M285 HydrophobicContact CD2-CG 4.38Å; Y281-M285 HydrophobicContact CE1-CG 3.63Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 3.9Å; Y281-M285 HydrophobicContact CE2-SD 4.33Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.41Å; Y281-M285 PolarHBondContact O-N 2.97Å; N282-M285 PolarHBondContact O-N 2.77Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 2.92Å; M285-C287 VanDerWaalsContact C-N 3.32Å; M285-R292 PolarHBondContact O-NH2 3.46Å; M285-R292 PolarHBondContact SD-NH1 2.85Å; M285-Y296 HydrophobicContact CE-CE2 4.34Å; M285-Y296 WeakPolarHBondContact CE-OH 3.4Å
286K98.3Very high97.9Very high109 Ų10949.9 Ų49.947%0.47424%0.242SC..Hα-helixtrans-79.2-15.8171.1-74.6178.9175.9-176.90113.3A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.69Å; M178-K286 HydrophobicContact SD-CD 4.15Å; M178-K286 PolarHBondContact SD-NZ 2.95Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 3.3Å; S283-K286 PolarHBondContact O-N 3.33Å; I284-K286 VanDerWaalsContact C-N 3.27Å; I284-K286 PolarHBondContact O-N 3.41Å
287C98Very high97.8Very high1 Ų151.1 Ų51.11%0.00725%0.253CS..SBendtrans-82.8159177.4-61.60000111.8P166 L173 A176 S283 I284 M285 I291 R292 L295P166-C287 VanDerWaalsContact CB-SG 3.55Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; A176-C287 VanDerWaalsContact CB-SG 3.52Å; S283-C287 PolarHBondContact O-N 2.89Å; S283-C287 PolarHBondContact O-SG 2.86Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.29Å; I284-C287 PolarHBondContact O-N 3.38Å; I284-C287 VanDerWaalsContact O-N 3.08Å; M285-C287 VanDerWaalsContact C-N 3.32Å; C287-I291 HydrophobicContact CB-CD1 3.93Å; C287-I291 HydrophobicContact CB-CG1 4.11Å; C287-R292 VanDerWaalsContact O-CZ 3.31Å; C287-R292 PolarHBondContact O-NE 2.93Å; C287-R292 PolarHBondContact O-NH2 3.07Å; C287-L295 HydrophobicContact CB-CD1 3.76Å
288D97.2Very high97.8Very high116 Ų11651.9 Ų51.962%0.6226%0.257SS*.  trans-60.3145176.2-68.3-34.7000112.1D290 I291 R292D288-D290 PolarHBondContact O-N 3.08Å; D288-I291 HydrophobicContact CB-CG1 4.46Å; D288-I291 VanDerWaalsContact O-CG1 3.25Å; D288-I291 WeakPolarHBondContact O-CG1 3.27Å; D288-I291 PolarHBondContact O-N 3.17Å; D288-R292 WeakPolarHBondContact O-CG 3.4Å
289I95.9Very high97.8Very high122 Ų12248.2 Ų48.263%0.62624%0.24SC*.Hα-helixtrans-58.2-35.4-172.5-166.8167.4000113I291 R292I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3Å; I289-R292 PolarHBondContact O-N 2.98Å
290D96.3Very high97.8Very high141 Ų14147.9 Ų47.975%0.75424%0.238SC*.Hα-helixtrans-67.3-29.6-174.5-65-24.7000112.6D288D288-D290 PolarHBondContact O-N 3.08Å
291I97Very high97.8Very high21 Ų2147.8 Ų47.811%0.10824%0.238CC..Hα-helixtrans-94.8-14.5-177.466.4166.7000113.3Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.39Å; Y168-I291 HydrophobicContact CD2-CG2 3.53Å; Y168-I291 HydrophobicContact CE2-CB 4.23Å; Y168-I291 HydrophobicContact CE2-CG2 3.43Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.43Å; Y168-I291 HydrophobicContact CG-CG2 4.29Å; L173-I291 HydrophobicContact CD1-CD1 3.48Å; L173-I291 VanDerWaalsContact CD1-CD1 3.48Å; C287-I291 HydrophobicContact CB-CD1 3.93Å; C287-I291 HydrophobicContact CB-CG1 4.11Å; D288-I291 HydrophobicContact CB-CG1 4.46Å; D288-I291 VanDerWaalsContact O-CG1 3.25Å; D288-I291 WeakPolarHBondContact O-CG1 3.27Å; D288-I291 PolarHBondContact O-N 3.17Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3Å; I291-K293 PolarHBondContact O-N 2.98Å; I291-D294 PolarHBondContact O-N 3.46Å; I291-L295 HydrophobicContact CD1-CD1 4.22Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 3.17Å; I291-L295 VanDerWaalsContact O-N 3.09Å
292R97.9Very high97.9Very high54 Ų5445.1 Ų45.120%0.20423%0.227CC..Hα-helixtrans-58.3-36.1-175.1-63.4-174.7-171.6-179.7-0.4112.9I284 M285 C287 D288 I289 D294 L295 Y296 M327I284-R292 HydrophobicContact CG2-CB 3.85Å; I284-R292 HydrophobicContact CG2-CG 3.85Å; I284-R292 PolarHBondContact O-NE 2.83Å; M285-R292 PolarHBondContact O-NH2 3.46Å; M285-R292 PolarHBondContact SD-NH1 2.85Å; C287-R292 VanDerWaalsContact O-CZ 3.31Å; C287-R292 PolarHBondContact O-NE 2.93Å; C287-R292 PolarHBondContact O-NH2 3.07Å; D288-R292 WeakPolarHBondContact O-CG 3.4Å; I289-R292 PolarHBondContact O-N 2.98Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.42Å; R292-L295 PolarHBondContact O-N 2.78Å; R292-Y296 HydrophobicContact CB-CD2 4.33Å; R292-Y296 HydrophobicContact CB-CE2 4.25Å; R292-Y296 WeakPolarHBondContact O-CB 3.36Å; R292-Y296 WeakPolarHBondContact O-CD2 3.39Å; R292-Y296 PolarHBondContact O-N 2.98Å; R292-M327 HydrophobicContact CB-CE 4.46Å
293K97.5Very high97.8Very high140 Ų14042.8 Ų42.861%0.60922%0.217SC*.Hα-helixtrans-58.9-43.2177.6-178.4-174.4173.9-170.30111.3I291 A297 M327I291-K293 PolarHBondContact O-N 2.98Å; K293-A297 WeakPolarHBondContact O-CB 3.35Å; K293-A297 PolarHBondContact O-N 3.47Å; K293-M327 HydrophobicContact CB-SD 4.1Å; K293-M327 HydrophobicContact CG-SD 4.43Å
294D97.4Very high97.8Very high68 Ų6844.8 Ų44.836%0.36424%0.238SC..Hα-helixtrans-73.8-35.7-179.8-62.8-41.1000111.7T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.81Å; I291-D294 PolarHBondContact O-N 3.46Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.42Å; D294-A297 PolarHBondContact O-N 2.93Å; D294-N298 WeakPolarHBondContact O-CB 3.39Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.49Å
295L98.2Very high97.8Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-62.5-47.7173-60.4-179.9000111.3G152 P166 I284 C287 I291 R292 A297 N298 N299G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.32Å; G152-L295 WeakPolarHBondContact O-CD2 3.43Å; P166-L295 HydrophobicContact CB-CD1 4.1Å; P166-L295 HydrophobicContact CB-CD2 4.31Å; I284-L295 HydrophobicContact CD1-CB 4.34Å; I284-L295 HydrophobicContact CG1-CB 4.08Å; I284-L295 HydrophobicContact CG1-CD1 4.38Å; I284-L295 HydrophobicContact CG2-CB 4.27Å; I284-L295 HydrophobicContact CG2-CD1 4.27Å; C287-L295 HydrophobicContact CB-CD1 3.76Å; I291-L295 HydrophobicContact CD1-CD1 4.22Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 3.17Å; I291-L295 VanDerWaalsContact O-N 3.09Å; R292-L295 PolarHBondContact O-N 2.78Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 2.99Å; L295-N298 CarbonylContact O-C 3.52Å; L295-N298 VanDerWaalsContact O-C 3.32Å; L295-N298 PolarHBondContact O-N 2.85Å; L295-N298 VanDerWaalsContact O-N 3.13Å; L295-N299 PolarHBondContact O-ND2 2.84Å
296Y98.3Very high97.8Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-62.7-35.4176.2-79.3-52.3000113.4Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.34Å; I284-Y296 HydrophobicContact CB-CE1 4.41Å; I284-Y296 HydrophobicContact CD1-CD1 3.44Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.44Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.16Å; I284-Y296 HydrophobicContact CG2-CD1 4.49Å; I284-Y296 HydrophobicContact CG2-CD2 4.14Å; I284-Y296 HydrophobicContact CG2-CE1 4.1Å; I284-Y296 HydrophobicContact CG2-CE2 3.7Å; M285-Y296 HydrophobicContact CE-CE2 4.34Å; M285-Y296 WeakPolarHBondContact CE-OH 3.4Å; R292-Y296 HydrophobicContact CB-CD2 4.33Å; R292-Y296 HydrophobicContact CB-CE2 4.25Å; R292-Y296 WeakPolarHBondContact O-CB 3.36Å; R292-Y296 WeakPolarHBondContact O-CD2 3.39Å; R292-Y296 PolarHBondContact O-N 2.98Å; Y296-N298 PolarHBondContact O-N 2.8Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.48Å; Y296-N299 PolarHBondContact O-ND2 3.32Å; Y296-I319 HydrophobicContact CD1-CG2 4.06Å; Y296-I319 HydrophobicContact CE1-CG2 4.06Å; Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.36Å; Y296-M327 HydrophobicContact CD2-CB 3.89Å; Y296-M327 HydrophobicContact CD2-CG 3.65Å; Y296-M327 HydrophobicContact CD2-SD 3.94Å; Y296-M327 HydrophobicContact CE2-CB 4.41Å; Y296-M327 HydrophobicContact CE2-CG 3.9Å; Y296-M327 HydrophobicContact CE2-SD 4.48Å; Y296-M327 HydrophobicContact CG-CB 4.29Å; Y296-K328 CarbonylContact C-O 3.59Å; Y296-I329 HydrophobicContact CD1-CD1 3.35Å; Y296-I329 HydrophobicContact CD2-CD1 4.44Å; Y296-I329 HydrophobicContact CE1-CD1 4.11Å; Y296-I329 HydrophobicContact CG-CD1 3.55Å; Y296-I329 WeakPolarHBondContact O-CA 3.49Å; Y296-K330 PolarHBondContact O-N 2.85Å
297A97.7Very high97.8Very high29 Ų2940.7 Ų40.724%0.2422%0.221CC..Hα-helixtrans-76.8-10177.600000113.5K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.35Å; K293-A297 PolarHBondContact O-N 3.47Å; D294-A297 PolarHBondContact O-N 2.93Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 2.99Å; A297-K330 WeakPolarHBondContact O-CB 3.11Å
298N98.1Very high97.8Very high33 Ų3341.2 Ų41.218%0.17622%0.223CC..  trans-137.964.3-175.9-62.9-63.7000111.8R149 G152 I153 D294 L295 Y296 V300 I332R149-N298 WeakPolarHBondContact CD-OD1 3.4Å; R149-N298 PolarHBondContact NE-OD1 2.96Å; G152-N298 CarbonylContact C-O 3.6Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.35Å; I153-N298 PolarHBondContact N-O 3.17Å; D294-N298 WeakPolarHBondContact O-CB 3.39Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.49Å; L295-N298 CarbonylContact O-C 3.52Å; L295-N298 VanDerWaalsContact O-C 3.32Å; L295-N298 PolarHBondContact O-N 2.85Å; L295-N298 VanDerWaalsContact O-N 3.13Å; Y296-N298 PolarHBondContact O-N 2.8Å; N298-V300 PolarHBondContact O-N 3.26Å; N298-I332 HydrophobicContact CB-CD1 4.36Å
299N98.4Very high97.9Very high5 Ų539.8 Ų39.83%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-87.9103.8171.3-69.1-101.4000109.2I153 T280 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.14Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.36Å; I153-N299 CarbonylContact O-C 3.58Å; I153-N299 WeakPolarHBondContact O-CA 3.48Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.12Å; L295-N299 PolarHBondContact O-ND2 2.84Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.48Å; Y296-N299 PolarHBondContact O-ND2 3.32Å; N299-K330 WeakPolarHBondContact CB-O 3.34Å; N299-K330 PolarHBondContact N-O 3.16Å; N299-K330 VanDerWaalsContact N-O 3.12Å; N299-I331 HydrophobicContact CB-CD1 3.61Å; N299-I331 CarbonylContact O-C 3.6Å; N299-I332 PolarHBondContact O-N 2.64Å
300V98.6Very high98Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-97.5126.5-177.7179.70000110.2L144 I153 V154 L155 N298 I332L144-V300 HydrophobicContact CD1-CB 4.45Å; L144-V300 HydrophobicContact CD1-CG2 3.79Å; I153-V300 PolarHBondContact O-N 3.04Å; V154-V300 WeakPolarHBondContact CA-O 3.35Å; V154-V300 HydrophobicContact CG2-CB 4.23Å; L155-V300 PolarHBondContact N-O 3.16Å; N298-V300 PolarHBondContact O-N 3.26Å; V300-I332 WeakPolarHBondContact CA-O 3.44Å; V300-I332 HydrophobicContact CG2-CB 4.16Å; V300-I332 HydrophobicContact CG2-CD1 3.93Å; V300-I332 HydrophobicContact CG2-CG2 4.38Å
301L98.8Very high98.1Very high1 Ų128.7 Ų28.71%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-88.6132.9173.4-56.2-168.8000110.3L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.96Å; L155-L301 HydrophobicContact CD2-CD2 3.88Å; L155-L301 HydrophobicContact CG-CD2 4.29Å; L301-T306 HydrophobicContact CB-CG2 4.38Å; L301-I311 HydrophobicContact CD1-CG2 3.98Å; L301-A312 HydrophobicContact CD1-CB 4.16Å; L301-I331 HydrophobicContact CD1-CG2 3.83Å; L301-I331 HydrophobicContact CD2-CG2 4.16Å; L301-I331 HydrophobicContact CG-CG2 3.79Å; L301-I332 PolarHBondContact N-O 2.94Å; L301-A333 HydrophobicContact CB-CB 4.36Å; L301-A333 HydrophobicContact CD1-CB 4Å; L301-A333 HydrophobicContact CG-CB 4.37Å; L301-R337 WeakPolarHBondContact O-CB 3.48Å
302S98.4Very high98.2Very high0 Ų029 Ų290%017%0.174CC..EExtended strand (participates in β ladder)trans-138.3151.6-179.5174.30000111.5S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact CB-OG 3.41Å; S143-S302 PolarHBondContact OG-OG 3.39Å; L155-S302 PolarHBondContact O-N 2.66Å; D156-S302 WeakPolarHBondContact CA-O 3.19Å; D156-S302 WeakPolarHBondContact OD1-CB 3.41Å; D156-S302 PolarHBondContact OD1-OG 3.31Å; S157-S302 PolarHBondContact N-O 2.83Å; S302-T306 WeakPolarHBondContact O-CG2 3.27Å; S302-T306 PolarHBondContact O-OG1 2.93Å
303G97.7Very high98.2Very high9 Ų931.5 Ų31.59%0.09319%0.191CC..SBendtrans90.9159.2173.100000114.2S157 T305 T306 R337S157-G303 CarbonylContact O-C 3.6Å; S157-G303 WeakPolarHBondContact O-CA 3.31Å; G303-T305 VanDerWaalsContact C-N 3.33Å; G303-T305 PolarHBondContact O-N 2.85Å; G303-T306 PolarHBondContact O-N 2.78Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.3Å; G303-R337 PolarHBondContact N-O 2.84Å
304G97.4Very high98.3Very high43 Ų4325.4 Ų25.444%0.44316%0.164SC..G310 helixtrans-62.8-33.3-170.500000114.4S157 T306 M307S157-G304 PolarHBondContact O-N 3.01Å; G304-T306 PolarHBondContact O-N 3.24Å; G304-M307 WeakPolarHBondContact O-CB 3.34Å; G304-M307 VanDerWaalsContact O-CG 3.31Å; G304-M307 WeakPolarHBondContact O-CG 2.98Å; G304-M307 PolarHBondContact O-N 2.84Å
305T98.5Very high98.4Very high6 Ų622.2 Ų22.24%0.03715%0.147CC..G310 helixtrans-71.8-21.3179.3-66.40000111.8S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.16Å; S157-T305 PolarHBondContact O-N 2.94Å; S157-T305 VanDerWaalsContact OG-CB 3.27Å; S157-T305 WeakPolarHBondContact OG-CB 3.45Å; S157-T305 VanDerWaalsContact OG-CG2 3.28Å; S157-T305 WeakPolarHBondContact OG-CG2 3.42Å; G158-T305 PolarHBondContact O-OG1 2.67Å; G184-T305 WeakPolarHBondContact CA-OG1 3.45Å; G184-T305 PolarHBondContact N-OG1 3.1Å; L187-T305 HydrophobicContact CD1-CG2 3.72Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.01Å; L263-T305 HydrophobicContact CG-CG2 4.49Å; G303-T305 VanDerWaalsContact C-N 3.33Å; G303-T305 PolarHBondContact O-N 2.85Å; T305-M307 PolarHBondContact O-N 3.4Å; T305-Y308 HydrophobicContact CG2-CE2 4.13Å; T305-Y308 WeakPolarHBondContact O-CD2 3.42Å; T305-Y308 WeakPolarHBondContact O-CE2 3.36Å
306T98.6Very high98.4Very high0 Ų025.1 Ų25.10%016%0.161CC..G310 helixtrans-79.63.5171.474.90000113.5L301 S302 G303 G304 Y308 I311 R337L301-T306 HydrophobicContact CB-CG2 4.38Å; S302-T306 WeakPolarHBondContact O-CG2 3.27Å; S302-T306 PolarHBondContact O-OG1 2.93Å; G303-T306 PolarHBondContact O-N 2.78Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.3Å; G304-T306 PolarHBondContact O-N 3.24Å; T306-Y308 VanDerWaalsContact C-N 3.27Å; T306-Y308 PolarHBondContact O-N 3.05Å; T306-I311 VanDerWaalsContact O-CG2 3.31Å; T306-I311 WeakPolarHBondContact O-CG2 3.33Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 3.28Å; T306-R337 PolarHBondContact O-NH2 2.91Å; T306-R337 WeakPolarHBondContact OG1-CD 3.13Å; T306-R337 PolarHBondContact OG1-NE 3.49Å
307M98.3Very high98.4Very high65 Ų6528.8 Ų28.832%0.3218%0.177SC..G310 helixtrans-78.4-6.8178.2-65.6-63.2-63.900113.8G304 T305 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.34Å; G304-M307 VanDerWaalsContact O-CG 3.31Å; G304-M307 WeakPolarHBondContact O-CG 2.98Å; G304-M307 PolarHBondContact O-N 2.84Å; T305-M307 PolarHBondContact O-N 3.4Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.43Å; M307-K338 HydrophobicContact CG-CB 4.05Å; M307-K338 HydrophobicContact SD-CB 4.09Å; M307-K338 HydrophobicContact SD-CG 4.33Å
308Y98.5Very high98.4Very high13 Ų1329.2 Ų29.25%0.05117%0.174CC..SBendtrans-56131.1177.2-72.7-60.9000112.1L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.66Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.35Å; K215-Y308 VanDerWaalsContact CD-OH 3.22Å; K215-Y308 WeakPolarHBondContact CD-OH 3.23Å; K215-Y308 HydrophobicContact CG-CE1 4.29Å; K215-Y308 WeakPolarHBondContact CG-OH 3.35Å; C219-Y308 HydrophobicContact CB-CD1 4.1Å; C219-Y308 HydrophobicContact CB-CE1 3.57Å; V221-Y308 HydrophobicContact CG2-CD2 4.46Å; V221-Y308 HydrophobicContact CG2-CG 4.34Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.85Å; P260-Y308 HydrophobicContact CB-CE1 4.3Å; P260-Y308 HydrophobicContact CB-CE2 3.75Å; P260-Y308 HydrophobicContact CB-CG 4.18Å; L263-Y308 HydrophobicContact CD1-CD2 4.34Å; L263-Y308 HydrophobicContact CD1-CE2 4.32Å; T305-Y308 HydrophobicContact CG2-CE2 4.13Å; T305-Y308 WeakPolarHBondContact O-CD2 3.42Å; T305-Y308 WeakPolarHBondContact O-CE2 3.36Å; T306-Y308 VanDerWaalsContact C-N 3.27Å; T306-Y308 PolarHBondContact O-N 3.05Å; Y308-G310 PolarHBondContact O-N 2.91Å; Y308-I311 WeakPolarHBondContact O-CG2 3.42Å; Y308-I311 PolarHBondContact O-N 3.28Å
309P98.5Very high98.4Very high86 Ų8627.6 Ų27.656%0.55817%0.166SC*.THydrogen-bonded Turntrans-55.6140.1167.1-23.233.7000110.6V221 I311V221-P309 PolarHBondContact N-O 2.81Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.38Å
310G98.5Very high98.4Very high29 Ų2930.9 Ų30.930%0.29919%0.186SC..THydrogen-bonded Turntrans82.3-10.4178.700000116.1Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 2.91Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.78Å; G310-D313 PolarHBondContact O-N 3.15Å; G310-R314 PolarHBondContact O-N 2.81Å
311I98.7Very high98.4Very high1 Ų134.7 Ų34.71%0.00522%0.217CC..Hα-helixtrans-63.7-37.5-177.1-163.9174.8000112.7V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.29Å; V221-I311 HydrophobicContact CG2-CB 3.94Å; V221-I311 HydrophobicContact CG2-CG1 4.11Å; L263-I311 HydrophobicContact CD1-CD1 4.39Å; F264-I311 HydrophobicContact CZ-CG1 4.2Å; I276-I311 HydrophobicContact CD1-CD1 4.19Å; L301-I311 HydrophobicContact CD1-CG2 3.98Å; T306-I311 VanDerWaalsContact O-CG2 3.31Å; T306-I311 WeakPolarHBondContact O-CG2 3.33Å; Y308-I311 WeakPolarHBondContact O-CG2 3.42Å; Y308-I311 PolarHBondContact O-N 3.28Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.38Å; I311-R314 PolarHBondContact O-N 3.46Å; I311-M315 HydrophobicContact CG1-CG 4.35Å; I311-M315 VanDerWaalsContact O-CB 3.32Å; I311-M315 WeakPolarHBondContact O-CB 3.37Å; I311-M315 VanDerWaalsContact O-CG 3.25Å; I311-M315 WeakPolarHBondContact O-CG 3.48Å; I311-M315 PolarHBondContact O-N 3.38Å
312A98.6Very high98.3Very high27 Ų2737.6 Ų37.622%0.22323%0.233CC..Hα-helixtrans-65.5-42.9179.600000111.4L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.16Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.78Å; A312-M315 PolarHBondContact O-N 3.17Å; A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.37Å; A312-Q316 PolarHBondContact O-N 3.45Å; A312-I331 HydrophobicContact CB-CG2 4Å; A312-A333 HydrophobicContact CB-CB 4.07Å
313D98.6Very high98.2Very high106 Ų10638.1 Ų38.157%0.56724%0.237SC*.Hα-helixtrans-67.8-41.3178.3-58.9-53.7000111.6L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.23Å; G310-D313 PolarHBondContact O-N 3.15Å; D313-Q316 WeakPolarHBondContact O-CB 3.2Å; D313-Q316 PolarHBondContact O-N 3.09Å; D313-K317 PolarHBondContact O-N 2.94Å
314R98.7Very high98.1Very high12 Ų1240.4 Ų40.45%0.04525%0.25CC..Hα-helixtrans-62.7-48.1174.2-176.963.8176.2-72.4-8.1111.2V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.49Å; V221-R314 VanDerWaalsContact CG1-CB 3.49Å; V221-R314 HydrophobicContact CG1-CG 3.67Å; A222-R314 WeakPolarHBondContact O-CD 3.38Å; A222-R314 PolarHBondContact O-NH1 3.02Å; L223-R314 WeakPolarHBondContact O-CD 3.39Å; E261-R314 IonicContact OE1-CZ 3.85Å; E261-R314 IonicContact OE1-NH1 3.3Å; E261-R314 IonicContact OE1-NH2 3.18Å; E261-R314 PolarHBondContact OE1-NH2 3.16Å; E261-R314 IonicContact OE2-CZ 3.17Å; E261-R314 IonicContact OE2-NH1 3.36Å; E261-R314 PolarHBondContact OE2-NH1 2.68Å; E261-R314 IonicContact OE2-NH2 2.83Å; E261-R314 PolarHBondContact OE2-NH2 3.18Å; F264-R314 HydrophobicContact CD1-CG 4Å; F264-R314 HydrophobicContact CE1-CB 4.29Å; F264-R314 HydrophobicContact CE1-CG 3.44Å; F264-R314 VanDerWaalsContact CE1-CG 3.44Å; F264-R314 HydrophobicContact CE2-CG 4Å; F264-R314 HydrophobicContact CZ-CB 3.98Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; G310-R314 PolarHBondContact O-N 2.81Å; I311-R314 PolarHBondContact O-N 3.46Å; R314-Q316 VanDerWaalsContact C-N 3.29Å; R314-Q316 PolarHBondContact O-N 2.92Å; R314-K317 PolarHBondContact O-N 2.96Å; R314-E318 HydrophobicContact CG-CG 4.34Å; R314-E318 IonicContact CZ-OE1 2.78Å; R314-E318 IonicContact NE-OE1 3.8Å; R314-E318 PolarHBondContact NE-OE1 3.43Å; R314-E318 IonicContact NH2-OE1 3.69Å; R314-E318 PolarHBondContact NH2-OE1 2.93Å; R314-E318 WeakPolarHBondContact O-CG 3.41Å; R314-E318 PolarHBondContact O-N 3.39Å
315M98.6Very high98Very high1 Ų144.5 Ų44.51%0.00527%0.272CS..Hα-helixtrans-58.7-40.5175.1-76.6-65.1-69.100112.2L155 F264 I276 H277 I311 A312 I319 I331L155-M315 HydrophobicContact CD2-CE 3.64Å; L155-M315 HydrophobicContact CD2-SD 4.15Å; F264-M315 HydrophobicContact CE1-CG 4.32Å; F264-M315 HydrophobicContact CE1-SD 3.81Å; F264-M315 HydrophobicContact CZ-CG 4.28Å; F264-M315 HydrophobicContact CZ-SD 4.2Å; I276-M315 HydrophobicContact CD1-SD 3.77Å; I276-M315 HydrophobicContact CG1-SD 3.84Å; H277-M315 HydrophobicContact CB-SD 3.97Å; I311-M315 HydrophobicContact CG1-CG 4.35Å; I311-M315 VanDerWaalsContact O-CB 3.32Å; I311-M315 WeakPolarHBondContact O-CB 3.37Å; I311-M315 VanDerWaalsContact O-CG 3.25Å; I311-M315 WeakPolarHBondContact O-CG 3.48Å; I311-M315 PolarHBondContact O-N 3.38Å; A312-M315 PolarHBondContact O-N 3.17Å; M315-I319 HydrophobicContact CE-CD1 3.55Å; M315-I319 HydrophobicContact CE-CG1 4.33Å; M315-I319 WeakPolarHBondContact O-CB 3.45Å; M315-I319 WeakPolarHBondContact O-CG1 3.11Å; M315-I319 PolarHBondContact O-N 3.21Å; M315-I331 HydrophobicContact CB-CD1 4.15Å; M315-I331 HydrophobicContact CB-CG1 4.15Å
316Q98.6Very high97.7Very high61 Ų6150 Ų5029%0.28531%0.306SS..Hα-helixtrans-60.9-47.3176.1-177.969.761.800110.8A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.37Å; A312-Q316 PolarHBondContact O-N 3.45Å; D313-Q316 WeakPolarHBondContact O-CB 3.2Å; D313-Q316 PolarHBondContact O-N 3.09Å; R314-Q316 VanDerWaalsContact C-N 3.29Å; R314-Q316 PolarHBondContact O-N 2.92Å; Q316-T320 PolarHBondContact NE2-OG1 3.25Å; Q316-T320 WeakPolarHBondContact O-CB 3.46Å; Q316-T320 PolarHBondContact O-N 2.84Å; Q316-T320 VanDerWaalsContact O-N 3.12Å; Q316-T320 PolarHBondContact O-OG1 3Å; Q316-I329 PolarHBondContact NE2-O 3.35Å; Q316-I329 PolarHBondContact OE1-O 3.26Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å
317K98.5Very high97.5Very high78 Ų7852.2 Ų52.234%0.33932%0.317SS..Hα-helixtrans-59-54.3176.6176.2-176.9168.7-175.70111.3L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.08Å; L223-K317 HydrophobicContact CD1-CD 3.85Å; L223-K317 HydrophobicContact CG-CD 4.18Å; L223-K317 WeakPolarHBondContact O-CD 3.3Å; L223-K317 PolarHBondContact O-NZ 3.36Å; D224-K317 IonicContact OD2-NZ 3Å; D224-K317 PolarHBondContact OD2-NZ 2.79Å; D224-K317 VanDerWaalsContact OD2-NZ 3.17Å; D313-K317 PolarHBondContact O-N 2.94Å; R314-K317 PolarHBondContact O-N 2.96Å; K317-T320 PolarHBondContact O-N 3.12Å; K317-A321 PolarHBondContact O-N 2.96Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318E98.5Very high97.4Very high37 Ų3757 Ų5717%0.17334%0.335CS..Hα-helixtrans-68-44.3-172.8-61.4-58.2172.400112.7F264 H277 R314 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.32Å; F264-E318 HydrophobicContact CE1-CG 4.43Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.25Å; R314-E318 HydrophobicContact CG-CG 4.34Å; R314-E318 IonicContact CZ-OE1 2.78Å; R314-E318 IonicContact NE-OE1 3.8Å; R314-E318 PolarHBondContact NE-OE1 3.43Å; R314-E318 IonicContact NH2-OE1 3.69Å; R314-E318 PolarHBondContact NH2-OE1 2.93Å; R314-E318 WeakPolarHBondContact O-CG 3.41Å; R314-E318 PolarHBondContact O-N 3.39Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 3.34Å; E318-A321 PolarHBondContact O-N 3.39Å; E318-L322 WeakPolarHBondContact O-CG 3.18Å; E318-L322 PolarHBondContact O-N 3.14Å; E318-L322 VanDerWaalsContact O-N 3.1Å
319I98.2Very high97.4Very high0 Ų057.1 Ų57.10%034%0.337CS..Hα-helixtrans-66.6-36178-66.3176.4000110.7T280 Y296 M315 A321 L322 A323 I329 I331T280-I319 HydrophobicContact CG2-CD1 3.72Å; Y296-I319 HydrophobicContact CD1-CG2 4.06Å; Y296-I319 HydrophobicContact CE1-CG2 4.06Å; M315-I319 HydrophobicContact CE-CD1 3.55Å; M315-I319 HydrophobicContact CE-CG1 4.33Å; M315-I319 WeakPolarHBondContact O-CB 3.45Å; M315-I319 WeakPolarHBondContact O-CG1 3.11Å; M315-I319 PolarHBondContact O-N 3.21Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.94Å; I319-L322 PolarHBondContact O-N 2.87Å; I319-A323 WeakPolarHBondContact O-CB 3.47Å; I319-A323 PolarHBondContact O-N 3.49Å; I319-I329 HydrophobicContact CB-CG2 4.01Å; I319-I329 HydrophobicContact CG2-CD1 4.07Å; I319-I329 HydrophobicContact CG2-CG1 4.13Å; I319-I329 HydrophobicContact CG2-CG2 3.58Å; I319-I331 HydrophobicContact CD1-CD1 4.03Å
320T98Very high97.4Very high74 Ų7457.9 Ų57.945%0.45433%0.331SS..Hα-helixtrans-64-34.7175.5-57.50000111.8Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 3.25Å; Q316-T320 WeakPolarHBondContact O-CB 3.46Å; Q316-T320 PolarHBondContact O-N 2.84Å; Q316-T320 VanDerWaalsContact O-N 3.12Å; Q316-T320 PolarHBondContact O-OG1 3Å; K317-T320 PolarHBondContact O-N 3.12Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 3.34Å
321A97.9Very high97.4Very high80 Ų8057.6 Ų57.666%0.66132%0.323SS*.Hα-helixtrans-71.4-34.4176.600000113K317 E318 I319K317-A321 PolarHBondContact O-N 2.96Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 3.39Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.94Å
322L97.8Very high97.4Very high62 Ų6258.5 Ų58.533%0.32533%0.327SS..Hα-helixtrans-83.2-34.8-179.9-66.3174.2000113.4E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.11Å; Y281-L322 HydrophobicContact CD2-CB 3.69Å; Y281-L322 HydrophobicContact CE2-CB 4.12Å; Y281-L322 WeakPolarHBondContact CE2-O 3.34Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å; E318-L322 WeakPolarHBondContact O-CG 3.18Å; E318-L322 PolarHBondContact O-N 3.14Å; E318-L322 VanDerWaalsContact O-N 3.1Å; I319-L322 PolarHBondContact O-N 2.87Å
323A96.6Very high97.4Very high11 Ų1158.9 Ų58.99%0.09133%0.331CS..SBendtrans-75.6155-174.400000113Y296 I319 S325 I329Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.36Å; I319-A323 WeakPolarHBondContact O-CB 3.47Å; I319-A323 PolarHBondContact O-N 3.49Å; A323-S325 PolarHBondContact O-N 3.08Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.22Å
324P95.2Very high97.3Very high56 Ų5654.6 Ų54.636%0.36431%0.308SS..  trans-56.8139.4171.6-22.732.8000111.8T326 M327P324-T326 PolarHBondContact O-N 3.07Å; P324-M327 HydrophobicContact CB-CG 4.15Å; P324-M327 HydrophobicContact CG-CG 4.28Å; P324-M327 WeakPolarHBondContact O-CB 3.27Å; P324-M327 PolarHBondContact O-N 3.4Å
325S93.9Very high97.2Very high129 Ų12958.9 Ų58.990%0.90234%0.338SS*.THydrogen-bonded Turntrans-61.4-16.2-175.257.80000115.2A323A323-S325 PolarHBondContact O-N 3.08Å
326T93.5Very high97Very high122 Ų12262.8 Ų62.875%0.74836%0.356SS*.THydrogen-bonded Turntrans-81.1-14.1174.853.50000113.4P324P324-T326 PolarHBondContact O-N 3.07Å
327M94.8Very high97Very high47 Ų4761.2 Ų61.223%0.23235%0.348CS..SBendtrans-85.2134.8-178.4-62.9-63.5-177.100110.8R292 K293 Y296 P324 I329R292-M327 HydrophobicContact CB-CE 4.46Å; K293-M327 HydrophobicContact CB-SD 4.1Å; K293-M327 HydrophobicContact CG-SD 4.43Å; Y296-M327 HydrophobicContact CD2-CB 3.89Å; Y296-M327 HydrophobicContact CD2-CG 3.65Å; Y296-M327 HydrophobicContact CD2-SD 3.94Å; Y296-M327 HydrophobicContact CE2-CB 4.41Å; Y296-M327 HydrophobicContact CE2-CG 3.9Å; Y296-M327 HydrophobicContact CE2-SD 4.48Å; Y296-M327 HydrophobicContact CG-CB 4.29Å; P324-M327 HydrophobicContact CB-CG 4.15Å; P324-M327 HydrophobicContact CG-CG 4.28Å; P324-M327 WeakPolarHBondContact O-CB 3.27Å; P324-M327 PolarHBondContact O-N 3.4Å; M327-I329 HydrophobicContact CB-CD1 4.05Å
328K95.8Very high96.9Very high165 Ų16561.5 Ų61.572%0.71735%0.349SS*.  trans-90.4111.9171.6-176.5177.6-179.9177.20109.2Y296Y296-K328 CarbonylContact C-O 3.59Å
329I98Very high96.9Very high16 Ų1662.7 Ų62.78%0.08235%0.352CS..  trans-88.3130.7178.4-49.1-46.2000109.5Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.35Å; Y296-I329 HydrophobicContact CD2-CD1 4.44Å; Y296-I329 HydrophobicContact CE1-CD1 4.11Å; Y296-I329 HydrophobicContact CG-CD1 3.55Å; Y296-I329 WeakPolarHBondContact O-CA 3.49Å; Q316-I329 PolarHBondContact NE2-O 3.35Å; Q316-I329 PolarHBondContact OE1-O 3.26Å; I319-I329 HydrophobicContact CB-CG2 4.01Å; I319-I329 HydrophobicContact CG2-CD1 4.07Å; I319-I329 HydrophobicContact CG2-CG1 4.13Å; I319-I329 HydrophobicContact CG2-CG2 3.58Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.22Å; M327-I329 HydrophobicContact CB-CD1 4.05Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å
330K98.3Very high96.9Very high101 Ų10162.7 Ų62.744%0.43935%0.353SS..  trans-136.4119.1172.5-178.5-173.5-179.2-176.20110.3Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 2.85Å; A297-K330 WeakPolarHBondContact O-CB 3.11Å; N299-K330 WeakPolarHBondContact CB-O 3.34Å; N299-K330 PolarHBondContact N-O 3.16Å; N299-K330 VanDerWaalsContact N-O 3.12Å; K330-I332 HydrophobicContact CD-CG1 4.29Å; K330-I332 HydrophobicContact CG-CG1 4.26Å
331I98.5Very high96.9Very high23 Ų2359.6 Ų59.612%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-88.4133.9169.3-49.4-51.9000109.7N299 L301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.61Å; N299-I331 CarbonylContact O-C 3.6Å; L301-I331 HydrophobicContact CD1-CG2 3.83Å; L301-I331 HydrophobicContact CD2-CG2 4.16Å; L301-I331 HydrophobicContact CG-CG2 3.79Å; A312-I331 HydrophobicContact CB-CG2 4Å; M315-I331 HydrophobicContact CB-CD1 4.15Å; M315-I331 HydrophobicContact CB-CG1 4.15Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å; I319-I331 HydrophobicContact CD1-CD1 4.03Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å
332I98.4Very high96.9Very high20 Ų2055.8 Ų55.810%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-120.3113.3-180-60.5152.1000106.8R149 N298 N299 V300 L301 K330 P334R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.28Å; N298-I332 HydrophobicContact CB-CD1 4.36Å; N299-I332 PolarHBondContact O-N 2.64Å; V300-I332 WeakPolarHBondContact CA-O 3.44Å; V300-I332 HydrophobicContact CG2-CB 4.16Å; V300-I332 HydrophobicContact CG2-CD1 3.93Å; V300-I332 HydrophobicContact CG2-CG2 4.38Å; L301-I332 PolarHBondContact N-O 2.94Å; K330-I332 HydrophobicContact CD-CG1 4.29Å; K330-I332 HydrophobicContact CG-CG1 4.26Å; I332-P334 HydrophobicContact CG2-CG 4.41Å
333A98Very high96.9Very high36 Ų3654.2 Ų54.230%0.29829%0.293SS..  trans-123.186-179.100000109.6L301 A312L301-A333 HydrophobicContact CB-CB 4.36Å; L301-A333 HydrophobicContact CD1-CB 4Å; L301-A333 HydrophobicContact CG-CB 4.37Å; A312-A333 HydrophobicContact CB-CB 4.07Å
334P97.2Very high97Very high15 Ų1553.7 Ų53.710%0.09729%0.289CS..  trans-55.1141.8176.5-22.633.4000111I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.41Å; P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 WeakPolarHBondContact CB-OE1 3.39Å; P334-E336 PolarHBondContact O-N 2.98Å; P334-R337 HydrophobicContact CB-CB 4.19Å; P334-R337 HydrophobicContact CG-CB 4.46Å; P334-R337 WeakPolarHBondContact O-CB 3.37Å; P334-R337 WeakPolarHBondContact O-CD 3.47Å; P334-R337 WeakPolarHBondContact O-CG 3.38Å; P334-R337 PolarHBondContact O-N 3.44Å; P334-R337 VanDerWaalsContact O-N 3.15Å; P334-R337 PolarHBondContact O-NH1 3.18Å
335P96.8Very high97.1Very high103 Ų10351 Ų5167%0.66927%0.272SS*.THydrogen-bonded Turntrans-63.7-34.2-177.715-18.4000112.5R337P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.2Å
336E95.6Very high97.3Very high82 Ų8245 Ų4538%0.38323%0.23SC..THydrogen-bonded Turntrans-87.213.8176.566.9-69.315500114P334 K338 Y339 I343P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 WeakPolarHBondContact CB-OE1 3.39Å; P334-E336 PolarHBondContact O-N 2.98Å; E336-K338 PolarHBondContact O-N 3.38Å; E336-Y339 WeakPolarHBondContact O-CA 3.46Å; E336-Y339 PolarHBondContact O-N 2.91Å; E336-I343 HydrophobicContact CB-CD1 4.26Å; E336-I343 HydrophobicContact CG-CD1 3.51Å
337R97.3Very high97.4Very high28 Ų2842.6 Ų42.611%0.10621%0.212CC..G310 helixtrans-58.6-16.1-170.566.9-171.1172.5-78.61.8117.2L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.48Å; G303-R337 PolarHBondContact N-O 2.84Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 3.28Å; T306-R337 PolarHBondContact O-NH2 2.91Å; T306-R337 WeakPolarHBondContact OG1-CD 3.13Å; T306-R337 PolarHBondContact OG1-NE 3.49Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.43Å; P334-R337 HydrophobicContact CB-CB 4.19Å; P334-R337 HydrophobicContact CG-CB 4.46Å; P334-R337 WeakPolarHBondContact O-CB 3.37Å; P334-R337 WeakPolarHBondContact O-CD 3.47Å; P334-R337 WeakPolarHBondContact O-CG 3.38Å; P334-R337 PolarHBondContact O-N 3.44Å; P334-R337 VanDerWaalsContact O-N 3.15Å; P334-R337 PolarHBondContact O-NH1 3.18Å; P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.2Å; R337-Y339 PolarHBondContact O-N 3.12Å; R337-S340 VanDerWaalsContact CA-OG 3.27Å; R337-S340 WeakPolarHBondContact CA-OG 3.34Å; R337-S340 PolarHBondContact O-N 2.99Å
338K97Very high97.4Very high85 Ų8541.4 Ų41.437%0.3721%0.206SC..G310 helixtrans-61.2-19.7166.756.6168.2172164.80113.4K20 M307 E336K20-K338 WeakPolarHBondContact CE-O 3.43Å; M307-K338 HydrophobicContact CG-CB 4.05Å; M307-K338 HydrophobicContact SD-CB 4.09Å; M307-K338 HydrophobicContact SD-CG 4.33Å; E336-K338 PolarHBondContact O-N 3.38Å
339Y97.8Very high97.4Very high61 Ų6133.7 Ų33.724%0.23917%0.173CC..G310 helixtrans-116.42.8-179.5-53.5-39.5000113.1K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CD-CD1 3.79Å; K20-Y339 HydrophobicContact CD-CE1 4.38Å; P29-Y339 HydrophobicContact CG-CD1 4.34Å; P29-Y339 HydrophobicContact CG-CG 4.48Å; V32-Y339 HydrophobicContact CG2-CE1 4.17Å; E336-Y339 WeakPolarHBondContact O-CA 3.46Å; E336-Y339 PolarHBondContact O-N 2.91Å; R337-Y339 PolarHBondContact O-N 3.12Å; Y339-V341 VanDerWaalsContact C-N 3.26Å; Y339-V341 PolarHBondContact O-N 3.33Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; Y339-W342 PolarHBondContact O-N 3.46Å; Y339-I343 WeakPolarHBondContact O-CG1 3.49Å; Y339-I343 PolarHBondContact O-N 3.07Å
340S98.1Very high97.2Very high1 Ų136 Ų361%0.00719%0.191CC..Hα-helixtrans-50.7-43.4-176.2-780000113.4S143 A146 R337 W342 I343 G344S143-S340 WeakPolarHBondContact OG-CB 3.41Å; A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.49Å; R337-S340 VanDerWaalsContact CA-OG 3.27Å; R337-S340 WeakPolarHBondContact CA-OG 3.34Å; R337-S340 PolarHBondContact O-N 2.99Å; S340-W342 PolarHBondContact O-N 3.46Å; S340-I343 PolarHBondContact O-N 2.89Å; S340-G344 PolarHBondContact O-N 3.15Å
341V98.2Very high97Very high9 Ų934.7 Ų34.76%0.05519%0.188CC..Hα-helixtrans-56.8-51.6178.4174.30000110.9D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.08Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.47Å; T108-V341 HydrophobicContact CG2-CG1 3.79Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.93Å; Q139-V341 HydrophobicContact CG-CG1 3.76Å; Q139-V341 HydrophobicContact CG-CG2 4.41Å; L142-V341 WeakPolarHBondContact CB-O 3.4Å; L142-V341 HydrophobicContact CD1-CG1 4.28Å; S143-V341 WeakPolarHBondContact OG-CG2 3.32Å; S143-V341 PolarHBondContact OG-N 3.42Å; Y339-V341 VanDerWaalsContact C-N 3.26Å; Y339-V341 PolarHBondContact O-N 3.33Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 3.06Å; V341-G345 PolarHBondContact O-N 3.45Å
342W98.6Very high96.6Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-67.2-42.4-178.1-175.891000111.3V11 D13 K20 D26 A28 P29 Y339 S340 G344 G345 S346V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.38Å; D13-W342 HydrophobicContact CB-CB 4.2Å; K20-W342 HydrophobicContact CB-CB 4.29Å; K20-W342 HydrophobicContact CB-CG 4.26Å; K20-W342 HydrophobicContact CD-CB 4.43Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 WeakPolarHBondContact O-CH2 3.39Å; D26-W342 WeakPolarHBondContact O-CZ3 3.43Å; A28-W342 VanDerWaalsContact C-CH2 3.41Å; A28-W342 VanDerWaalsContact O-CH2 3.3Å; A28-W342 WeakPolarHBondContact O-CH2 3.46Å; P29-W342 HydrophobicContact CB-CD2 3.76Å; P29-W342 HydrophobicContact CB-CE3 4.22Å; P29-W342 HydrophobicContact CB-CG 4.03Å; P29-W342 HydrophobicContact CB-CZ2 4.4Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.4Å; Y339-W342 PolarHBondContact O-N 3.46Å; S340-W342 PolarHBondContact O-N 3.46Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.49Å; W342-G345 CarbonylContact O-C 3.53Å; W342-G345 PolarHBondContact O-N 3.19Å; W342-G345 VanDerWaalsContact O-N 3.13Å; W342-S346 PolarHBondContact O-N 2.84Å
343I98.1Very high96.2Very high28 Ų2842.8 Ų42.814%0.14424%0.244CC..Hα-helixtrans-59.6-43.8176.4-67.1168.2000110.4A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.15Å; A146-I343 HydrophobicContact CB-CG2 3.93Å; E336-I343 HydrophobicContact CB-CD1 4.26Å; E336-I343 HydrophobicContact CG-CD1 3.51Å; Y339-I343 WeakPolarHBondContact O-CG1 3.49Å; Y339-I343 PolarHBondContact O-N 3.07Å; S340-I343 PolarHBondContact O-N 2.89Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.97Å; I343-S346 WeakPolarHBondContact O-CB 3.08Å; I343-S346 PolarHBondContact O-N 2.75Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.32Å; I343-I347 PolarHBondContact O-N 3.46Å
344G97.5Very high95.8Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-61.8-39.8175.800000112.9L142 S340 V341 W342 L348L142-G344 VanDerWaalsContact O-CA 3.29Å; L142-G344 WeakPolarHBondContact O-CA 3.31Å; S340-G344 PolarHBondContact O-N 3.15Å; V341-G344 PolarHBondContact O-N 3.06Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.49Å; G344-L348 VanDerWaalsContact O-CB 3.25Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 2.88Å
345G97.6Very high95.4Very high0 Ų044.6 Ų44.60%025%0.245CC..Hα-helixtrans-64.4-42172.600000112.7V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 3.45Å; W342-G345 CarbonylContact O-C 3.53Å; W342-G345 PolarHBondContact O-N 3.19Å; W342-G345 VanDerWaalsContact O-N 3.13Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.97Å; G345-L348 PolarHBondContact O-N 2.93Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.48Å; G345-A349 PolarHBondContact O-N 3.4Å
346S97.7Very high95.1Very high4 Ų447.8 Ų47.83%0.02825%0.251CS..Hα-helixtrans-60.6-48176.6179.40000111.1G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-O 3.09Å; G25-S346 PolarHBondContact N-OG 3.46Å; D26-S346 PolarHBondContact N-OG 2.86Å; D26-S346 PolarHBondContact O-OG 3Å; W342-S346 PolarHBondContact O-N 2.84Å; I343-S346 WeakPolarHBondContact O-CB 3.08Å; I343-S346 PolarHBondContact O-N 2.75Å; S346-S350 WeakPolarHBondContact O-CB 3.23Å; S346-S350 PolarHBondContact O-N 3.03Å; S346-S350 VanDerWaalsContact O-N 3.15Å; S346-S350 PolarHBondContact O-OG 3.33Å
347I95.9Very high95Very high70 Ų7047.1 Ų47.136%0.35925%0.249SC..Hα-helixtrans-60.3-54.9175-66.7165.8000109.9I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.32Å; I343-I347 PolarHBondContact O-N 3.46Å; I347-A349 PolarHBondContact O-N 3.16Å; I347-S350 PolarHBondContact O-N 3.5Å; I347-S350 VanDerWaalsContact O-N 3.09Å; I347-S350 PolarHBondContact O-OG 3.14Å; I347-L351 WeakPolarHBondContact O-CG 3.23Å; I347-L351 PolarHBondContact O-N 2.69Å
348L95.2Very high95Very high22 Ų2246.6 Ų46.612%0.11525%0.247CC..Hα-helixtrans-57.2-47.8-175.5-177.964.2000112.4L106 L142 Y145 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.18Å; L142-L348 HydrophobicContact CD2-CB 4.32Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å; Y145-L348 HydrophobicContact CE2-CD1 4.45Å; G344-L348 VanDerWaalsContact O-CB 3.25Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 2.88Å; G345-L348 PolarHBondContact O-N 2.93Å; L348-S350 PolarHBondContact O-N 3.37Å; L348-L351 HydrophobicContact CD1-CD1 4.36Å; L348-L351 PolarHBondContact O-N 3.14Å; L348-F354 HydrophobicContact CD1-CD2 3.52Å; L348-F354 HydrophobicContact CD1-CE2 3.88Å; L348-F354 HydrophobicContact CD1-CG 4.17Å; L348-F354 HydrophobicContact CD2-CD2 4.22Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.08Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.11Å; L348-F354 HydrophobicContact CG-CZ 4.06Å; L348-F354 WeakPolarHBondContact O-CB 3.39Å; L348-F354 VanDerWaalsContact O-CG 3.31Å; L348-F354 WeakPolarHBondContact O-CG 3.46Å
349A95.7Very high95.1Very high3 Ų342.5 Ų42.53%0.02523%0.229CC..Hα-helixtrans-69.5-21.1-179.300000113.2A9 V11 A24 L106 G345 I347 Q355 W358A9-A349 HydrophobicContact CB-CB 4.16Å; V11-A349 HydrophobicContact CG2-CB 4.22Å; A24-A349 HydrophobicContact CB-CB 3.64Å; L106-A349 HydrophobicContact CD1-CB 4.28Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.48Å; G345-A349 PolarHBondContact O-N 3.4Å; I347-A349 PolarHBondContact O-N 3.16Å; A349-Q355 PolarHBondContact O-NE2 3.15Å; A349-W358 HydrophobicContact CB-CH2 4.24Å; A349-W358 HydrophobicContact CB-CZ2 4.06Å
350S94Very high95.1Very high64 Ų6441.4 Ų41.445%0.44823%0.23SC..Hα-helixtrans-83.7-10.617575.20000114.1S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.23Å; S346-S350 PolarHBondContact O-N 3.03Å; S346-S350 VanDerWaalsContact O-N 3.15Å; S346-S350 PolarHBondContact O-OG 3.33Å; I347-S350 PolarHBondContact O-N 3.5Å; I347-S350 VanDerWaalsContact O-N 3.09Å; I347-S350 PolarHBondContact O-OG 3.14Å; L348-S350 PolarHBondContact O-N 3.37Å
351L92.9Very high95Very high74 Ų7444.8 Ų44.839%0.38725%0.245SC..  trans-73.9130-179.6-63.8176.8000110.8I347 L348 T353 F354 Q355I347-L351 WeakPolarHBondContact O-CG 3.23Å; I347-L351 PolarHBondContact O-N 2.69Å; L348-L351 HydrophobicContact CD1-CD1 4.36Å; L348-L351 PolarHBondContact O-N 3.14Å; L351-T353 PolarHBondContact O-N 3.47Å; L351-F354 HydrophobicContact CB-CB 4.02Å; L351-F354 WeakPolarHBondContact O-CB 3.47Å; L351-F354 PolarHBondContact O-N 2.73Å; L351-Q355 PolarHBondContact O-NE2 3Å
352S90.2Very high95Very high104 Ų10450.6 Ų50.673%0.72727%0.271SS*.G310 helixtrans-60.1-34175570000112.7F354 Q355S352-F354 PolarHBondContact O-N 3.46Å; S352-Q355 WeakPolarHBondContact O-CG 3.5Å; S352-Q355 PolarHBondContact O-N 3.09Å
353T89.8Confident95Very high109 Ų10953.1 Ų53.167%0.66928%0.283SS*.G310 helixtrans-68.7-21175.452.80000113.4L351 Q355L351-T353 PolarHBondContact O-N 3.47Å; T353-Q355 VanDerWaalsContact C-N 3.34Å
354F91.1Very high95Very high10 Ų1052.3 Ų52.34%0.04428%0.278CS..G310 helixtrans-79.6-17.6179.5-174.2-103000112.6L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.33Å; L106-F354 HydrophobicContact CD1-CZ 4.18Å; Y135-F354 HydrophobicContact CD1-CE2 4.2Å; Y135-F354 AromaticContact CD1-CZ 3.65Å; Y135-F354 HydrophobicContact CD1-CZ 3.65Å; Y135-F354 HydrophobicContact CD2-CE2 4.35Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.12Å; Y135-F354 HydrophobicContact CE1-CZ 4.05Å; Y135-F354 HydrophobicContact CE2-CE2 4.28Å; Y135-F354 HydrophobicContact CE2-CZ 4.27Å; Y135-F354 HydrophobicContact CG-CE1 4.46Å; Y135-F354 HydrophobicContact CG-CE2 4.32Å; Y135-F354 AromaticContact CG-CZ 3.56Å; Y135-F354 HydrophobicContact CG-CZ 3.56Å; L348-F354 HydrophobicContact CD1-CD2 3.52Å; L348-F354 HydrophobicContact CD1-CE2 3.88Å; L348-F354 HydrophobicContact CD1-CG 4.17Å; L348-F354 HydrophobicContact CD2-CD2 4.22Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.08Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.11Å; L348-F354 HydrophobicContact CG-CZ 4.06Å; L348-F354 WeakPolarHBondContact O-CB 3.39Å; L348-F354 VanDerWaalsContact O-CG 3.31Å; L348-F354 WeakPolarHBondContact O-CG 3.46Å; L351-F354 HydrophobicContact CB-CB 4.02Å; L351-F354 WeakPolarHBondContact O-CB 3.47Å; L351-F354 PolarHBondContact O-N 2.73Å; S352-F354 PolarHBondContact O-N 3.46Å; F354-Q356 PolarHBondContact O-N 3.25Å; F354-M357 HydrophobicContact CD2-CB 3.86Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.81Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.43Å; F354-M357 HydrophobicContact CZ-CB 4.34Å; F354-M357 VanDerWaalsContact O-CB 3.31Å; F354-M357 WeakPolarHBondContact O-CB 3.46Å; F354-M357 PolarHBondContact O-N 3.15Å; F354-W358 AromaticContact CD1-CE2 3.89Å; F354-W358 HydrophobicContact CD1-CZ2 4.01Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.65Å; F354-W358 HydrophobicContact CE1-CE3 4.23Å; F354-W358 AromaticContact CE1-CH2 3.93Å; F354-W358 HydrophobicContact CE1-CH2 3.93Å; F354-W358 AromaticContact CE1-CZ2 3.63Å; F354-W358 HydrophobicContact CE1-CZ2 3.63Å; F354-W358 HydrophobicContact CE1-CZ3 4.22Å
355Q88.7Confident95Very high80 Ų8057.8 Ų57.837%0.37431%0.307SS..G310 helixtrans-59.9-23.9-175.9-58.5-52.4-34.800113.8A349 L351 S352 T353 M357A349-Q355 PolarHBondContact O-NE2 3.15Å; L351-Q355 PolarHBondContact O-NE2 3Å; S352-Q355 WeakPolarHBondContact O-CG 3.5Å; S352-Q355 PolarHBondContact O-N 3.09Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; Q355-M357 VanDerWaalsContact C-N 3.35Å
356Q90.4Very high95Very high169 Ų16964.7 Ų64.779%0.7934%0.34SS*.G310 helixtrans-81.2-12.8176.2-61.4-178.6-1.400114F354F354-Q356 PolarHBondContact O-N 3.25Å
357M93.9Very high95Very high68 Ų6866.1 Ų66.134%0.33535%0.352SS..THydrogen-bonded Turntrans-87.8-19.6-176.1-64.5-58.1-60.800113.1Y135 F354 Q355Y135-M357 HydrophobicContact CD2-CB 4.44Å; Y135-M357 WeakPolarHBondContact CD2-O 3.45Å; Y135-M357 HydrophobicContact CE2-CB 4.11Å; Y135-M357 HydrophobicContact CE2-CE 4.43Å; F354-M357 HydrophobicContact CD2-CB 3.86Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.81Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.43Å; F354-M357 HydrophobicContact CZ-CB 4.34Å; F354-M357 VanDerWaalsContact O-CB 3.31Å; F354-M357 WeakPolarHBondContact O-CB 3.46Å; F354-M357 PolarHBondContact O-N 3.15Å; Q355-M357 VanDerWaalsContact C-N 3.35Å
358W96.8Very high95.1Very high17 Ų1763.8 Ų63.86%0.06435%0.345CS..SBendtrans-53.7144.2175.4-67.5120.4000111.5A9 P104 L106 A133 A349 F354A9-W358 HydrophobicContact CB-CH2 3.95Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å; P104-W358 HydrophobicContact CB-CD2 4.44Å; P104-W358 HydrophobicContact CB-CH2 4.26Å; P104-W358 HydrophobicContact CB-CZ2 4.15Å; P104-W358 HydrophobicContact CB-CZ3 4.46Å; L106-W358 HydrophobicContact CB-CH2 3.87Å; L106-W358 HydrophobicContact CB-CZ3 4.11Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.4Å; A349-W358 HydrophobicContact CB-CH2 4.24Å; A349-W358 HydrophobicContact CB-CZ2 4.06Å; F354-W358 AromaticContact CD1-CE2 3.89Å; F354-W358 HydrophobicContact CD1-CZ2 4.01Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.65Å; F354-W358 HydrophobicContact CE1-CE3 4.23Å; F354-W358 AromaticContact CE1-CH2 3.93Å; F354-W358 HydrophobicContact CE1-CH2 3.93Å; F354-W358 AromaticContact CE1-CZ2 3.63Å; F354-W358 HydrophobicContact CE1-CZ2 3.63Å; F354-W358 HydrophobicContact CE1-CZ3 4.22Å
359I98Very high95.2Very high0 Ų064.5 Ų64.50%035%0.351CS..EExtended strand (participates in β ladder)trans-86115.4162.4-58.7162.7000105.3F126 A133 M134 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.91Å; F126-I359 HydrophobicContact CZ-CB 4.41Å; F126-I359 HydrophobicContact CZ-CG2 3.93Å; F126-I359 WeakPolarHBondContact CZ-O 3.39Å; A133-I359 CarbonylContact C-O 3.56Å; A133-I359 WeakPolarHBondContact CA-O 3.23Å; A133-I359 WeakPolarHBondContact CB-O 3.41Å; M134-I359 HydrophobicContact CG-CB 4.47Å; M134-I359 PolarHBondContact N-O 3.48Å; M134-I359 WeakPolarHBondContact O-CB 3.35Å; M134-I359 PolarHBondContact O-N 3.31Å; I359-E363 HydrophobicContact CG2-CB 4.47Å; I359-I371 HydrophobicContact CD1-CG2 4.38Å; I359-I371 HydrophobicContact CG2-CG1 4.12Å; I359-I371 HydrophobicContact CG2-CG2 3.62Å; I359-V372 HydrophobicContact CD1-CB 4.18Å; I359-V372 HydrophobicContact CD1-CG2 4.2Å; I359-K375 HydrophobicContact CD1-CB 4.14Å; I359-K375 HydrophobicContact CG1-CB 3.67Å; I359-K375 HydrophobicContact CG1-CG 4.03Å
360S97.6Very high95.2Very high38 Ų3866.6 Ų66.627%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-79.8157.8174.762.70000111.6Q362 E363 Y364S360-Q362 PolarHBondContact O-N 3.1Å; S360-E363 PolarHBondContact N-OE2 3.45Å; S360-E363 PolarHBondContact O-N 3.41Å; S360-E363 VanDerWaalsContact O-N 3.14Å; S360-E363 VanDerWaalsContact OG-CG 3.29Å; S360-E363 WeakPolarHBondContact OG-CG 3.25Å; S360-E363 PolarHBondContact OG-N 3.45Å; S360-E363 PolarHBondContact OG-OE2 3.05Å; S360-Y364 PolarHBondContact O-N 2.8Å
361K97.7Very high95.4Very high72 Ų7264.2 Ų64.231%0.31335%0.348SS..Hα-helixtrans-55.7-37.4172.4-173.1167.3-173.1163.30112.5F126 N130 P132 Y364 D365F126-K361 HydrophobicContact CD1-CB 4.07Å; F126-K361 HydrophobicContact CD1-CG 4.14Å; F126-K361 VanDerWaalsContact CE1-CA 3.45Å; F126-K361 HydrophobicContact CE1-CB 3.9Å; F126-K361 HydrophobicContact CE1-CG 4.47Å; N130-K361 PolarHBondContact OD1-NZ 3.11Å; N130-K361 VanDerWaalsContact OD1-NZ 3.11Å; P132-K361 PolarHBondContact O-N 2.91Å; K361-Y364 WeakPolarHBondContact O-CB 3.42Å; K361-Y364 PolarHBondContact O-N 3.37Å; K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 3.01Å
362Q97.6Very high95.6Very high130 Ų13060.7 Ų60.761%0.60733%0.329SS*.Hα-helixtrans-62.1-47.3175.3-175.7-175.6-11.700112.2S360 Y364 D365 E366S360-Q362 PolarHBondContact O-N 3.1Å; Q362-Y364 VanDerWaalsContact C-N 3.26Å; Q362-Y364 PolarHBondContact O-N 3.07Å; Q362-D365 PolarHBondContact O-N 3.45Å; Q362-E366 PolarHBondContact NE2-OE1 2.82Å; Q362-E366 WeakPolarHBondContact O-CG 3.28Å; Q362-E366 PolarHBondContact O-N 2.94Å; Q362-E366 VanDerWaalsContact O-N 3.08Å
363E97.9Very high95.9Very high54 Ų5458 Ų5825%0.25231%0.305SS..Hα-helixtrans-62.7-35.5177.4-73.4169.4125.900111.8I359 S360 A367 I371 K375I359-E363 HydrophobicContact CG2-CB 4.47Å; S360-E363 PolarHBondContact N-OE2 3.45Å; S360-E363 PolarHBondContact O-N 3.41Å; S360-E363 VanDerWaalsContact O-N 3.14Å; S360-E363 VanDerWaalsContact OG-CG 3.29Å; S360-E363 WeakPolarHBondContact OG-CG 3.25Å; S360-E363 PolarHBondContact OG-N 3.45Å; S360-E363 PolarHBondContact OG-OE2 3.05Å; E363-A367 WeakPolarHBondContact O-CB 3.27Å; E363-A367 PolarHBondContact O-N 3.41Å; E363-I371 HydrophobicContact CB-CG1 4.45Å; E363-K375 WeakPolarHBondContact OE1-CE 3.45Å; E363-K375 IonicContact OE1-NZ 3.46Å; E363-K375 PolarHBondContact OE1-NZ 3.21Å; E363-K375 IonicContact OE2-NZ 3.87Å
364Y98.2Very high96.1Very high11 Ų1161.1 Ų61.14%0.04331%0.305CS..Hα-helixtrans-64.1-48.1172.6175-97.2000112.1T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.85Å; T122-Y364 HydrophobicContact CG2-CE2 4.03Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.33Å; F126-Y364 HydrophobicContact CB-CE1 3.7Å; F126-Y364 HydrophobicContact CB-CE2 4.35Å; F126-Y364 HydrophobicContact CB-CG 3.97Å; F126-Y364 HydrophobicContact CD1-CG 4.42Å; F126-Y364 AromaticContact CD2-CD1 3.94Å; F126-Y364 HydrophobicContact CD2-CD1 3.94Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CE1 4.49Å; F126-Y364 AromaticContact CD2-CE2 3.93Å; F126-Y364 HydrophobicContact CD2-CE2 3.93Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.85Å; F126-Y364 HydrophobicContact CE2-CD2 3.85Å; F126-Y364 AromaticContact CE2-CG 3.81Å; F126-Y364 HydrophobicContact CE2-CG 3.81Å; F126-Y364 AromaticContact CG-CD1 3.81Å; F126-Y364 HydrophobicContact CG-CD1 3.81Å; F126-Y364 HydrophobicContact CG-CD2 4.07Å; F126-Y364 HydrophobicContact CG-CE1 4.33Å; F126-Y364 AromaticContact CG-CG 3.66Å; F126-Y364 HydrophobicContact CG-CG 3.66Å; E127-Y364 HydrophobicContact CG-CE1 4.14Å; E127-Y364 PolarHBondContact OE1-OH 3.14Å; S360-Y364 PolarHBondContact O-N 2.8Å; K361-Y364 WeakPolarHBondContact O-CB 3.42Å; K361-Y364 PolarHBondContact O-N 3.37Å; Q362-Y364 VanDerWaalsContact C-N 3.26Å; Q362-Y364 PolarHBondContact O-N 3.07Å; Y364-E366 PolarHBondContact O-N 3.28Å; Y364-A367 PolarHBondContact O-N 2.88Å; Y364-G368 WeakPolarHBondContact O-CA 3.33Å; Y364-G368 PolarHBondContact O-N 3.29Å; Y364-P369 HydrophobicContact CE2-CB 4.31Å; Y364-P369 HydrophobicContact CE2-CG 3.85Å
365D98Very high96.2Very high114 Ų11463 Ų6361%0.6131%0.313SS*.Hα-helixtrans-61.3-31.5-179.8-68.4-23.3000111.8K361 Q362K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 3.01Å; Q362-D365 PolarHBondContact O-N 3.45Å
366E97.7Very high96.4Very high145 Ų14559.2 Ų59.268%0.67830%0.296SS*.Hα-helixtrans-79.9-40.6178.2-70.6176.5-165.600114Q362 Y364Q362-E366 PolarHBondContact NE2-OE1 2.82Å; Q362-E366 WeakPolarHBondContact O-CG 3.28Å; Q362-E366 PolarHBondContact O-N 2.94Å; Q362-E366 VanDerWaalsContact O-N 3.08Å; Y364-E366 PolarHBondContact O-N 3.28Å
367A97.4Very high96Very high34 Ų3458.8 Ų58.828%0.28129%0.291SS..Hα-helixtrans-111-9.2-170.700000114.8E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.27Å; E363-A367 PolarHBondContact O-N 3.41Å; Y364-A367 PolarHBondContact O-N 2.88Å; A367-S370 PolarHBondContact O-OG 3.23Å; A367-I371 HydrophobicContact CB-CB 3.98Å; A367-I371 HydrophobicContact CB-CD1 4.08Å; A367-I371 HydrophobicContact CB-CG1 4.36Å
368G97.7Very high96.1Very high22 Ų2258.3 Ų58.323%0.22729%0.289CS..  trans63.8-168.5-172.200000113.7Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.33Å; Y364-G368 PolarHBondContact O-N 3.29Å; G368-S370 PolarHBondContact O-N 3.21Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.43Å; G368-I371 PolarHBondContact O-N 3.02Å
369P97.3Very high96.1Very high36 Ų3660.5 Ų60.523%0.23430%0.301CS..G310 helixtrans-55.6-26.2-175.9-27.934000115.6E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.79Å; E119-P369 HydrophobicContact CG-CB 4.14Å; Q123-P369 HydrophobicContact CB-CG 4.08Å; Q123-P369 HydrophobicContact CG-CG 4.43Å; Y364-P369 HydrophobicContact CE2-CB 4.31Å; Y364-P369 HydrophobicContact CE2-CG 3.85Å; P369-I371 PolarHBondContact O-N 2.62Å; P369-I371 VanDerWaalsContact O-N 3.15Å; P369-V372 VanDerWaalsContact O-CG1 3.32Å; P369-V372 WeakPolarHBondContact O-CG1 3.35Å; P369-V372 PolarHBondContact O-N 3.25Å
370S97.4Very high96Very high48 Ų4863.8 Ų63.834%0.33632%0.317SS..G310 helixtrans-65.4-15.5-177.775.20000114.3A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 3.23Å; G368-S370 PolarHBondContact O-N 3.21Å; S370-V372 PolarHBondContact O-N 3.36Å; S370-V372 VanDerWaalsContact O-N 3.16Å; S370-H373 PolarHBondContact O-CD2 3.08Å; S370-H373 PolarHBondContact O-N 3Å; S370-H373 VanDerWaalsContact O-N 3.14Å
371I97.5Very high95.9Very high13 Ų1365.4 Ų65.47%0.06732%0.32CS..G310 helixtrans-55.7-30.3176.9-170.357.9000112.6T122 I359 E363 A367 G368 P369 H373 R374 K375T122-I371 HydrophobicContact CG2-CG2 4.47Å; I359-I371 HydrophobicContact CD1-CG2 4.38Å; I359-I371 HydrophobicContact CG2-CG1 4.12Å; I359-I371 HydrophobicContact CG2-CG2 3.62Å; E363-I371 HydrophobicContact CB-CG1 4.45Å; A367-I371 HydrophobicContact CB-CB 3.98Å; A367-I371 HydrophobicContact CB-CD1 4.08Å; A367-I371 HydrophobicContact CB-CG1 4.36Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.43Å; G368-I371 PolarHBondContact O-N 3.02Å; P369-I371 PolarHBondContact O-N 2.62Å; P369-I371 VanDerWaalsContact O-N 3.15Å; I371-H373 PolarHBondContact O-N 3.37Å; I371-H373 VanDerWaalsContact O-N 3.14Å; I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 PolarHBondContact O-N 3.11Å; I371-K375 HydrophobicContact CD1-CG 4.39Å; I371-K375 HydrophobicContact CG1-CG 4.4Å; I371-K375 PolarHBondContact O-N 2.82Å
372V97.4Very high95.8Very high0 Ų064.9 Ų64.90%032%0.321CS..Hα-helixtrans-57.2-30.9179.373.20000112.9R118 E119 T122 V136 I359 P369 S370 R374 C376R118-V372 HydrophobicContact CB-CG1 3.84Å; R118-V372 HydrophobicContact CB-CG2 4.38Å; R118-V372 PolarHBondContact NH2-O 2.73Å; E119-V372 HydrophobicContact CG-CG1 4.39Å; T122-V372 WeakPolarHBondContact OG1-CB 3.22Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; I359-V372 HydrophobicContact CD1-CB 4.18Å; I359-V372 HydrophobicContact CD1-CG2 4.2Å; P369-V372 VanDerWaalsContact O-CG1 3.32Å; P369-V372 WeakPolarHBondContact O-CG1 3.35Å; P369-V372 PolarHBondContact O-N 3.25Å; S370-V372 PolarHBondContact O-N 3.36Å; S370-V372 VanDerWaalsContact O-N 3.16Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 3.04Å; V372-C376 HydrophobicContact CG2-CB 4.24Å; V372-C376 WeakPolarHBondContact O-CB 3.29Å; V372-C376 PolarHBondContact O-N 3.04Å; V372-C376 VanDerWaalsContact O-N 3.09Å
373H96Very high95.7Very high47 Ų4760.6 Ų60.622%0.21830%0.302CS..Hα-helixtrans-77.7-14.5179.2-55.2-51.8000113.5K115 E119 S370 I371K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.28Å; K115-H373 PolarHBondContact O-CE1 2.99Å; E119-H373 WeakPolarHBondContact CG-NE2 3.4Å; E119-H373 IonicContact OE1-CD2 2.92Å; E119-H373 PolarHBondContact OE1-CD2 3.19Å; E119-H373 IonicContact OE1-CE1 3.3Å; E119-H373 IonicContact OE1-NE2 3.86Å; E119-H373 PolarHBondContact OE1-NE2 3.22Å; S370-H373 PolarHBondContact O-CD2 3.08Å; S370-H373 PolarHBondContact O-N 3Å; S370-H373 VanDerWaalsContact O-N 3.14Å; I371-H373 PolarHBondContact O-N 3.37Å; I371-H373 VanDerWaalsContact O-N 3.14Å
374R93.8Very high95.5Very high176 Ų17661.1 Ų61.166%0.66431%0.305SS*.Hα-helixtrans-95.7-27.8178.9-61.3-177.1-177.1171.62.8112.6I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 PolarHBondContact O-N 3.11Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 3.04Å; R374-F377 WeakPolarHBondContact O-CE2 3.17Å; R374-F377 WeakPolarHBondContact O-CZ 3.42Å
375K93.5Very high95.3Very high48 Ų4864.9 Ų64.921%0.20933%0.326CS..Hα-helixtrans-105.6-33.5-172.8-77.7-81.3-169.2134.10113.8Y135 I359 E363 I371Y135-K375 WeakPolarHBondContact CE2-O 3.3Å; I359-K375 HydrophobicContact CD1-CB 4.14Å; I359-K375 HydrophobicContact CG1-CB 3.67Å; I359-K375 HydrophobicContact CG1-CG 4.03Å; E363-K375 WeakPolarHBondContact OE1-CE 3.45Å; E363-K375 IonicContact OE1-NZ 3.46Å; E363-K375 PolarHBondContact OE1-NZ 3.21Å; E363-K375 IonicContact OE2-NZ 3.87Å; I371-K375 HydrophobicContact CD1-CG 4.39Å; I371-K375 HydrophobicContact CG1-CG 4.4Å; I371-K375 PolarHBondContact O-N 2.82Å
376C92.8Very high95.1Very high2 Ų260.8 Ų60.81%0.01430%0.302CS..  trans-103.9120.6180-55.30000109.2R118 Y135 V136 V372R118-C376 PolarHBondContact NH2-O 3.09Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.42Å; Y135-C376 HydrophobicContact CE2-CB 4.24Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å; V136-C376 HydrophobicContact CB-CB 4.48Å; V136-C376 PolarHBondContact N-SG 2.9Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.3Å; V372-C376 HydrophobicContact CG2-CB 4.24Å; V372-C376 WeakPolarHBondContact O-CB 3.29Å; V372-C376 PolarHBondContact O-N 3.04Å; V372-C376 VanDerWaalsContact O-N 3.09Å
377F82.5Confident94.8Very high159 Ų15953.2 Ų53.270%0.69727%0.268SS*.  trans-108.80-176.2-66.5-77.1000112.1R374R374-F377 WeakPolarHBondContact O-CE2 3.17Å; R374-F377 WeakPolarHBondContact O-CZ 3.42Å

Retrieved 377 of 377 residues in 274.3 ms (Link to these results)

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