A0A090BWQ4_HORSE Loading...

Actin, alpha skeletal muscle

AlphaFold DB (P68136), UniProt , Accession A0A090BWQ4, Species HORSE (Equus caballus, Horse), Gene ACTA1, 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
1M34.5Very low68.6Low234 Ų234104 Ų104100%1.15356%0.556SS**  0112.60-73.5168174.100103.3D3M1-D3 PolarHBondContact O-N 3.42Å; M1-D3 VanDerWaalsContact O-N 3.07Å
2C35.2Very low71.1Confident127 Ų12795.3 Ų95.386%0.85851%0.509SS*.  trans-59.6113.1169-60.30000104.1E4C2-E4 PolarHBondContact O-N 2.88Å
3D45.9Very low73.2Confident143 Ų14388.2 Ų88.277%0.76547%0.471SS*.  trans-48121162.3-66.4-40.1000104.2M1 D5M1-D3 PolarHBondContact O-N 3.42Å; M1-D3 VanDerWaalsContact O-N 3.07Å; D3-D5 PolarHBondContact O-N 2.8Å
4E48.1Very low74.9Confident182 Ų18282.6 Ų82.685%0.8544%0.441SS*.  trans-47.5112.1169.4-72.2175.8155.100104.8C2 E6C2-E4 PolarHBondContact O-N 2.88Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 WeakPolarHBondContact O-CA 3.28Å; E4-E6 PolarHBondContact O-N 3.27Å
5D52.9Low76.3Confident153 Ų15377.9 Ų77.982%0.81842%0.42SS*.  trans-48102.2-170-76.2-52.3000107.4D3 T7D3-D5 PolarHBondContact O-N 2.8Å; D5-T7 VanDerWaalsContact C-N 3.33Å; D5-T7 PolarHBondContact O-N 2.6Å
6E65.5Low77.6Confident151 Ų15173.5 Ų73.571%0.70640%0.397SS*.  trans-64.7101.4-170-126.1-174.9-179.600105.7E4 T8E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 WeakPolarHBondContact O-CA 3.28Å; E4-E6 PolarHBondContact O-N 3.27Å; E6-T8 PolarHBondContact O-N 3.06Å
7T83.9Confident78.7Confident78 Ų7870 Ų7048%0.47938%0.382SS..PPolyproline II helixtrans-58.7117.1-173.242.40000108.3D5 A9 E102D5-T7 VanDerWaalsContact C-N 3.33Å; D5-T7 PolarHBondContact O-N 2.6Å; T7-A9 PolarHBondContact O-N 2.9Å; T7-E102 VanDerWaalsContact CB-O 3.22Å; T7-E102 WeakPolarHBondContact CB-O 3.47Å; T7-E102 VanDerWaalsContact CG2-O 3.26Å; T7-E102 WeakPolarHBondContact CG2-O 3.23Å
8T94.3Very high79.7Confident68 Ų6870.3 Ų70.342%0.41738%0.383SS..PPolyproline II helixtrans-62.5127.5-174-50.10000110.1E6 F23 A24 H103E6-T8 PolarHBondContact O-N 3.06Å; T8-F23 HydrophobicContact CG2-CB 3.93Å; T8-F23 HydrophobicContact CG2-CD1 4.11Å; T8-A24 WeakPolarHBondContact CG2-O 3.42Å; T8-H103 PolarHBondContact O-ND1 3.33Å
9A97.7Very high80.7Confident8 Ų866.6 Ų66.67%0.06636%0.363CS..PPolyproline II helixtrans-66.9148.918000000112T7 F23 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 2.9Å; A9-F23 WeakPolarHBondContact O-CA 3.24Å; A9-A24 HydrophobicContact CB-CB 4.11Å; A9-A24 WeakPolarHBondContact O-CB 3.16Å; A9-A24 PolarHBondContact O-N 3.2Å; A9-P104 CarbonylContact C-O 3.48Å; A9-P104 WeakPolarHBondContact CA-O 3.4Å; A9-P104 HydrophobicContact CB-CB 4.08Å; A9-P104 WeakPolarHBondContact CB-O 3.49Å; A9-A349 HydrophobicContact CB-CB 4.16Å; A9-W358 HydrophobicContact CB-CH2 3.91Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å
10L98.4Very high81.6Confident0 Ų064.4 Ų64.40%035%0.35CS..EExtended strand (participates in β ladder)trans-92.6145.6169.8-58.4179.7000110.3G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 3.23Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.35Å; L10-F23 HydrophobicContact CD2-CE1 3.64Å; L10-F23 HydrophobicContact CD2-CE2 4.31Å; L10-F23 HydrophobicContact CD2-CG 4.07Å; L10-F23 HydrophobicContact CD2-CZ 4Å; L10-F92 HydrophobicContact CD1-CD1 3.8Å; L10-F92 HydrophobicContact CD1-CE1 3.87Å; L10-L96 HydrophobicContact CD1-CD1 4.14Å; L10-L96 HydrophobicContact CD2-CD1 4.01Å; L10-V98 HydrophobicContact CD1-CG2 3.82Å; L10-H103 HydrophobicContact CD1-CB 3.91Å; L10-H103 HydrophobicContact CG-CB 3.72Å; L10-P104 PolarHBondContact N-O 3.38Å; L10-T105 HydrophobicContact CB-CG2 4.47Å; L10-L106 PolarHBondContact O-N 2.73Å
11V98.7Very high82.4Confident0 Ų061.3 Ų61.30%033%0.333CS..EExtended strand (participates in β ladder)trans-119.2118.1173.1178.60000108.3A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.43Å; V11-G22 PolarHBondContact N-O 2.96Å; V11-G22 PolarHBondContact O-N 3.4Å; V11-A24 HydrophobicContact CG2-CB 4.34Å; V11-L106 WeakPolarHBondContact CA-O 3.44Å; V11-L106 HydrophobicContact CG1-CD2 4.14Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; V11-W342 HydrophobicContact CG1-CG 4.25Å; V11-W342 PolarHBondContact O-NE1 3.32Å; V11-A349 HydrophobicContact CG2-CB 4.24Å
12C98.5Very high85.5Confident0 Ų050.2 Ų50.20%028%0.278CS..EExtended strand (participates in β ladder)trans-115.6100.4179-67.70000110.4N14 L106 L107 T108C12-N14 PolarHBondContact O-N 3.01Å; C12-L106 PolarHBondContact N-O 2.99Å; C12-L107 HydrophobicContact CB-CD2 4.05Å; C12-L107 HydrophobicContact CB-CG 4.48Å; C12-L107 WeakPolarHBondContact O-CA 3.3Å; C12-T108 PolarHBondContact O-N 3.34Å; C12-T108 VanDerWaalsContact O-N 3.1Å
13D98.6Very high88.5Confident3 Ų345 Ų452%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-83.2106.4172.3175.533.2000111G15 V19 K20 T108 Q139 V341 W342D13-G15 PolarHBondContact O-N 3.19Å; D13-V19 WeakPolarHBondContact O-CA 3.4Å; D13-K20 HydrophobicContact CB-CB 4.17Å; D13-K20 PolarHBondContact N-O 3.25Å; D13-K20 PolarHBondContact O-N 3.38Å; D13-K20 IonicContact OD2-NZ 3.14Å; D13-K20 PolarHBondContact OD2-NZ 3.02Å; D13-T108 VanDerWaalsContact CA-OG1 3.26Å; D13-T108 WeakPolarHBondContact CA-OG1 3.42Å; D13-T108 HydrophobicContact CB-CG2 4.04Å; D13-T108 PolarHBondContact OD1-OG1 3.38Å; D13-Q139 PolarHBondContact OD1-NE2 3.15Å; D13-Q139 VanDerWaalsContact OD1-NE2 3.15Å; D13-V341 HydrophobicContact CB-CG1 4.16Å; D13-V341 VanDerWaalsContact OD1-CG1 3.29Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.39Å; D13-W342 HydrophobicContact CB-CB 4.23Å
14N96.2Very high90.9Very high9 Ų938.8 Ų38.85%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-89.882.9-175.3-56.9-54.9000111.2C12 I73 M84 W88 L107 T108 Q139C12-N14 PolarHBondContact O-N 3.01Å; N14-I73 HydrophobicContact CB-CD1 4.15Å; N14-M84 HydrophobicContact CB-CE 4.26Å; N14-M84 WeakPolarHBondContact OD1-CE 3.16Å; N14-W88 PolarHBondContact OD1-NE1 3.37Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.38Å; N14-T108 PolarHBondContact N-OG1 3.12Å; N14-T108 PolarHBondContact ND2-O 2.82Å; N14-Q139 PolarHBondContact O-NE2 2.9Å
15G96.4Very high93.1Very high12 Ų1232.5 Ų32.512%0.12419%0.193CC..  trans-87.1152.9175.500000113.4D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.19Å; G15-G17 PolarHBondContact O-N 3.42Å; G15-L18 WeakPolarHBondContact CA-O 3.22Å; G15-L18 PolarHBondContact N-O 3.41Å; G15-L18 VanDerWaalsContact N-O 3.12Å; G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.44Å
16S96.3Very high95.2Very high8 Ų827.6 Ų27.66%0.05617%0.167CC..SBendtrans-63.7-27.6176.5-51.70000114.5I73 G76S16-I73 WeakPolarHBondContact OG-CG2 3.38Å; S16-G76 WeakPolarHBondContact OG-CA 3.49Å; S16-G76 PolarHBondContact OG-N 3.43Å
17G96.3Very high96.5Very high14 Ų1427.9 Ų27.914%0.14417%0.173CC..SBendtrans-100.9-3917800000113.4G15 P34 S35G15-G17 PolarHBondContact O-N 3.42Å; G17-P34 WeakPolarHBondContact O-CA 3.36Å; G17-S35 PolarHBondContact O-N 3.46Å
18L97.6Very high97.1Very high76 Ų7626.6 Ų26.640%0.39817%0.171SC..EExtended strand (participates in β ladder)trans-139.6137.6-174-62.4171.1000110.6G15 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.22Å; G15-L18 PolarHBondContact N-O 3.41Å; G15-L18 VanDerWaalsContact N-O 3.12Å; L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.1Å; L18-V32 HydrophobicContact CD2-CG1 4.5Å; L18-F33 CarbonylContact C-O 3.59Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.32Å; L18-P34 HydrophobicContact CD2-CG 4.43Å; L18-S35 WeakPolarHBondContact CA-OG 3.49Å; L18-S35 PolarHBondContact N-OG 3.28Å
19V98.5Very high97.3Very high0 Ų024.2 Ų24.20%016%0.157CC..EExtended strand (participates in β ladder)trans-87.8139.8160.91770000108.2D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.4Å; V19-V32 WeakPolarHBondContact O-CA 3.41Å; V19-F33 HydrophobicContact CB-CD1 4.33Å; V19-F33 HydrophobicContact CB-CD2 4.49Å; V19-F33 HydrophobicContact CB-CE1 3.78Å; V19-F33 HydrophobicContact CB-CE2 3.97Å; V19-F33 HydrophobicContact CB-CZ 3.59Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.1Å; V19-F33 HydrophobicContact CG2-CZ 4Å; V19-F33 PolarHBondContact N-O 2.86Å; V19-F33 PolarHBondContact O-N 3.06Å; V19-F33 VanDerWaalsContact O-N 3.08Å; V19-S35 WeakPolarHBondContact CG2-OG 3.36Å; V19-S35 PolarHBondContact N-OG 2.92Å; V19-S35 VanDerWaalsContact N-OG 3.1Å; V19-I87 HydrophobicContact CG2-CG2 3.65Å
20K98.7Very high97.3Very high22 Ų2231 Ų3110%0.09618%0.181CC..EExtended strand (participates in β ladder)trans-124128.2168.9-49169.4-160.969.80108.2D13 P29 A31 V32 K338 Y339 W342D13-K20 HydrophobicContact CB-CB 4.17Å; D13-K20 PolarHBondContact N-O 3.25Å; D13-K20 PolarHBondContact O-N 3.38Å; D13-K20 IonicContact OD2-NZ 3.14Å; D13-K20 PolarHBondContact OD2-NZ 3.02Å; K20-P29 HydrophobicContact CB-CB 3.98Å; K20-P29 HydrophobicContact CB-CG 4.25Å; K20-A31 CarbonylContact C-O 3.56Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.35Å; K20-V32 HydrophobicContact CB-CG2 4.34Å; K20-V32 HydrophobicContact CG-CG1 4.15Å; K20-V32 HydrophobicContact CG-CG2 4.09Å; K20-K338 WeakPolarHBondContact CE-O 3.19Å; K20-Y339 HydrophobicContact CD-CD1 3.77Å; K20-Y339 HydrophobicContact CD-CE1 4.39Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.3Å; K20-W342 HydrophobicContact CD-CB 4.45Å
21A98.8Very high97.3Very high0 Ų031.3 Ų31.30%018%0.183CC..EExtended strand (participates in β ladder)trans-138.6150.9-175.600000111.9V11 P29 R30 A31 T91 L96V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.43Å; A21-P29 CarbonylContact O-C 3.17Å; A21-R30 PolarHBondContact O-N 3.43Å; A21-A31 PolarHBondContact N-O 3.14Å; A21-A31 PolarHBondContact O-N 3.01Å; A21-T91 HydrophobicContact CB-CG2 3.31Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.3Å; A21-L96 HydrophobicContact CB-CG 4.31Å
22G98.5Very high97.2Very high0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans175.2-170.3179.300000111.4L10 V11L10-G22 WeakPolarHBondContact CA-O 3.23Å; V11-G22 PolarHBondContact N-O 2.96Å; V11-G22 PolarHBondContact O-N 3.4Å
23F98Very high97.2Very high19 Ų1933.8 Ų33.88%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-96.9143.5-176.9-65.1-103.8000109.9T8 A9 L10 D26 R30 L96 V98 H103T8-F23 HydrophobicContact CG2-CB 3.93Å; T8-F23 HydrophobicContact CG2-CD1 4.11Å; A9-F23 WeakPolarHBondContact O-CA 3.24Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.35Å; L10-F23 HydrophobicContact CD2-CE1 3.64Å; L10-F23 HydrophobicContact CD2-CE2 4.31Å; L10-F23 HydrophobicContact CD2-CG 4.07Å; L10-F23 HydrophobicContact CD2-CZ 4Å; F23-D26 WeakPolarHBondContact O-CB 3.36Å; F23-D26 PolarHBondContact O-N 3.38Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CD2-NH1 3.34Å; F23-R30 VanDerWaalsContact CE2-CZ 3.42Å; F23-L96 HydrophobicContact CE2-CD2 4.39Å; F23-V98 HydrophobicContact CE1-CG1 4.2Å; F23-V98 HydrophobicContact CZ-CG1 3.62Å; F23-H103 AromaticContact CE1-CE1 3.9Å
24A97.2Very high97.2Very high12 Ų1234.6 Ų34.610%0.09920%0.203CC..THydrogen-bonded Turntrans-60.7139171.800000110.4T8 A9 V11 D26 A349T8-A24 WeakPolarHBondContact CG2-O 3.42Å; A9-A24 HydrophobicContact CB-CB 4.11Å; A9-A24 WeakPolarHBondContact O-CB 3.16Å; A9-A24 PolarHBondContact O-N 3.2Å; V11-A24 HydrophobicContact CG2-CB 4.34Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-A349 HydrophobicContact CB-CB 3.64Å
25G94.9Very high97.3Very high49 Ų4934.1 Ų34.151%0.50520%0.201SC..THydrogen-bonded Turntrans89.5-15.1-174.100000114.9S346G25-S346 PolarHBondContact N-O 2.94Å; G25-S346 PolarHBondContact N-OG 2.88Å
26D96.2Very high97.3Very high51 Ų5133.6 Ų33.627%0.27320%0.195SC..  trans-73.3146171-73.9-10.9000110.1F23 A24 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.36Å; F23-D26 PolarHBondContact O-N 3.38Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-A28 VanDerWaalsContact C-N 3.31Å; D26-A28 PolarHBondContact O-N 3.48Å; D26-R30 IonicContact OD1-NH2 3.23Å; D26-R30 IonicContact OD2-CZ 2.87Å; D26-R30 IonicContact OD2-NE 3.56Å; D26-R30 PolarHBondContact OD2-NE 3.19Å; D26-R30 IonicContact OD2-NH2 2.76Å; D26-R30 PolarHBondContact OD2-NH2 3.45Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 WeakPolarHBondContact O-CH2 3.49Å; D26-W342 VanDerWaalsContact O-CZ3 3.31Å; D26-W342 WeakPolarHBondContact O-CZ3 3.38Å; D26-S346 PolarHBondContact N-OG 3.06Å; D26-S346 PolarHBondContact O-OG 3.37Å
27D93.4Very high97.4Very high156 Ų15633.2 Ų33.283%0.83419%0.193SC*.SBendtrans-75-17.5-179.2-68.2-40.1000113.8
28A95.9Very high97.5Very high52 Ų5232.6 Ų32.643%0.4319%0.186SC..SBendtrans-150.8153.4-177.700000111D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.31Å; D26-A28 PolarHBondContact O-N 3.48Å; A28-R30 PolarHBondContact O-N 3.35Å; A28-W342 VanDerWaalsContact CA-CZ3 3.48Å; A28-W342 WeakPolarHBondContact O-CH2 3.31Å; A28-W342 WeakPolarHBondContact O-CZ3 3.45Å
29P98Very high97.3Very high18 Ų1832.7 Ų32.712%0.11718%0.181CC..  trans-60.9138.9176.225.5-33.8000110.7K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 3.98Å; K20-P29 HydrophobicContact CB-CG 4.25Å; A21-P29 CarbonylContact O-C 3.17Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.1Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; P29-Y339 HydrophobicContact CG-CD1 4.38Å; P29-Y339 HydrophobicContact CG-CG 4.46Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.4Å; P29-W342 HydrophobicContact CG-CG 4.48Å
30R97.8Very high97.1Very high151 Ų15134.9 Ų34.957%0.5720%0.195SC*.SBendtrans-72.1-28.7174.5-66.2-159.3-176.4173.65.4112.5A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.43Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CD2-NH1 3.34Å; F23-R30 VanDerWaalsContact CE2-CZ 3.42Å; D26-R30 IonicContact OD1-NH2 3.23Å; D26-R30 IonicContact OD2-CZ 2.87Å; D26-R30 IonicContact OD2-NE 3.56Å; D26-R30 PolarHBondContact OD2-NE 3.19Å; D26-R30 IonicContact OD2-NH2 2.76Å; D26-R30 PolarHBondContact OD2-NH2 3.45Å; A28-R30 PolarHBondContact O-N 3.35Å; R30-L96 HydrophobicContact CB-CD2 3.96Å
31A98.4Very high96.6Very high6 Ų639.5 Ų39.55%0.0521%0.212CC..EExtended strand (participates in β ladder)trans-134.2137.7-179.700000111K20 A21 P29 F33 E95K20-A31 CarbonylContact C-O 3.56Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.35Å; A21-A31 PolarHBondContact N-O 3.14Å; A21-A31 PolarHBondContact O-N 3.01Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.24Å
32V98.3Very high95.8Very high51 Ų5145.9 Ų45.931%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-139112.8171.8-178.10000107.5L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.1Å; L18-V32 HydrophobicContact CD2-CG1 4.5Å; V19-V32 WeakPolarHBondContact O-CA 3.41Å; K20-V32 HydrophobicContact CB-CG2 4.34Å; K20-V32 HydrophobicContact CG-CG1 4.15Å; K20-V32 HydrophobicContact CG-CG2 4.09Å; P29-V32 HydrophobicContact CB-CG2 4.1Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; V32-Y339 HydrophobicContact CG2-CE1 4.27Å
33F98.4Very high94.5Very high0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-143.5156.5-174.665.9-89.6000112L18 V19 A31 S35 V56 I87 H90 T91 E95L18-F33 CarbonylContact C-O 3.59Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.32Å; V19-F33 HydrophobicContact CB-CD1 4.33Å; V19-F33 HydrophobicContact CB-CD2 4.49Å; V19-F33 HydrophobicContact CB-CE1 3.78Å; V19-F33 HydrophobicContact CB-CE2 3.97Å; V19-F33 HydrophobicContact CB-CZ 3.59Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.1Å; V19-F33 HydrophobicContact CG2-CZ 4Å; V19-F33 PolarHBondContact N-O 2.86Å; V19-F33 PolarHBondContact O-N 3.06Å; V19-F33 VanDerWaalsContact O-N 3.08Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; F33-S35 PolarHBondContact O-N 3.23Å; F33-V56 HydrophobicContact CE2-CG1 4.28Å; F33-I87 HydrophobicContact CE2-CG2 4.14Å; F33-I87 HydrophobicContact CZ-CG2 4.21Å; F33-H90 AromaticContact CE2-CD2 3.74Å; F33-H90 AromaticContact CZ-CD2 3.97Å; F33-T91 VanDerWaalsContact CZ-OG1 3.3Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.11Å; F33-E95 HydrophobicContact CD1-CG 3.76Å; F33-E95 HydrophobicContact CE1-CB 4.49Å; F33-E95 HydrophobicContact CE1-CG 3.79Å; F33-E95 HydrophobicContact CG-CG 4.5Å
34P98Very high93.1Very high20 Ų2056.5 Ų56.513%0.1330%0.302CS..EExtended strand (participates in β ladder)trans-57.9132.7178.5-28.537.8000114.4G17 L18 I36 G57 D58G17-P34 WeakPolarHBondContact O-CA 3.36Å; L18-P34 HydrophobicContact CD2-CG 4.43Å; P34-I36 HydrophobicContact CB-CD1 3.87Å; P34-I36 HydrophobicContact CB-CG1 3.82Å; P34-I36 PolarHBondContact O-N 2.84Å; P34-G57 WeakPolarHBondContact O-CA 3.39Å; P34-D58 WeakPolarHBondContact CD-OD1 3.46Å
35S97.8Very high91.5Very high0 Ų059.7 Ų59.70%032%0.321CS..  trans-77.162.3176.8-54.70000111.8G15 G17 L18 V19 F33 P72G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.44Å; G17-S35 PolarHBondContact O-N 3.46Å; L18-S35 WeakPolarHBondContact CA-OG 3.49Å; L18-S35 PolarHBondContact N-OG 3.28Å; V19-S35 WeakPolarHBondContact CG2-OG 3.36Å; V19-S35 PolarHBondContact N-OG 2.92Å; V19-S35 VanDerWaalsContact N-OG 3.1Å; F33-S35 PolarHBondContact O-N 3.23Å; S35-P72 WeakPolarHBondContact O-CD 3.37Å
36I97.7Very high89.9Confident1 Ų157.7 Ų57.71%0.00530%0.298CS..  trans-134.6149.4-173.661.8179.3000113P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.87Å; P34-I36 HydrophobicContact CB-CG1 3.82Å; P34-I36 PolarHBondContact O-N 2.84Å; I36-V56 WeakPolarHBondContact O-CA 3.36Å; I36-G57 PolarHBondContact O-N 2.86Å; I36-G57 VanDerWaalsContact O-N 3.14Å; I36-A60 HydrophobicContact CD1-CB 3.99Å; I36-A60 HydrophobicContact CG1-CB 4.03Å; I36-Q61 HydrophobicContact CD1-CB 4.03Å; I36-L69 HydrophobicContact CD1-CD1 4.13Å; I36-K70 WeakPolarHBondContact CA-O 3.42Å; I36-Y71 HydrophobicContact CG2-CD1 3.37Å; I36-Y71 HydrophobicContact CG2-CE1 3.14Å; I36-Y71 HydrophobicContact CG2-CE2 4.32Å; I36-Y71 HydrophobicContact CG2-CG 4.08Å
37V98.3Very high88.2Confident0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-121126.1168.5-176.30000109Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.44Å; V37-Y55 WeakPolarHBondContact CA-O 3.29Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V37-K70 PolarHBondContact N-O 3.39Å; V37-K70 PolarHBondContact O-N 2.88Å; V37-D83 HydrophobicContact CB-CB 4.25Å; V37-D83 HydrophobicContact CG2-CB 3.75Å; V37-D83 WeakPolarHBondContact CG2-O 3.22Å; V37-K86 HydrophobicContact CG1-CD 4.26Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; V37-I87 HydrophobicContact CG2-CD1 4.36Å; V37-I87 HydrophobicContact CG2-CG1 3.99Å
38G96.7Very high86.8Confident0 Ų057.4 Ų57.40%032%0.32CS..EExtended strand (participates in β ladder)trans-107.2135.2177.100000112.2S54 Y55 T68G38-S54 CarbonylContact O-C 3.58Å; G38-S54 VanDerWaalsContact O-CA 3.29Å; G38-S54 WeakPolarHBondContact O-CA 3.49Å; G38-Y55 PolarHBondContact N-O 3.41Å; G38-Y55 PolarHBondContact O-N 3.21Å; G38-T68 WeakPolarHBondContact CA-O 3.5Å
39R95.1Very high85.2Confident78 Ų7861.6 Ų61.629%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-121.7140.2174.1-67.3177174.880-9.6110.8R41 L67 T68 D83 K86R39-R41 PolarHBondContact O-N 3.17Å; R39-L67 CarbonylContact O-C 3.55Å; R39-L67 WeakPolarHBondContact O-CA 3.11Å; R39-T68 PolarHBondContact N-O 3.41Å; R39-T68 PolarHBondContact O-N 3.12Å; R39-D83 IonicContact CZ-OD1 3.86Å; R39-D83 IonicContact CZ-OD2 3.5Å; R39-D83 VanDerWaalsContact NH1-CG 3.34Å; R39-D83 IonicContact NH1-OD1 3.08Å; R39-D83 PolarHBondContact NH1-OD1 3.24Å; R39-D83 IonicContact NH1-OD2 2.83Å; R39-D83 PolarHBondContact NH1-OD2 2.84Å; R39-D83 IonicContact NH2-OD1 2.73Å; R39-D83 PolarHBondContact NH2-OD1 3.41Å; R39-D83 IonicContact NH2-OD2 3.83Å; R39-K86 VanDerWaalsContact NH2-NZ 3.14Å
40P92.4Very high83.7Confident47 Ų4763.3 Ų63.331%0.30535%0.353SS..EExtended strand (participates in β ladder)trans-55.8133.2179.7-26.135.1000112.8H42 M46 Y55 L67P40-H42 VanDerWaalsContact C-N 3.34Å; P40-M46 HydrophobicContact CB-SD 4.47Å; P40-M46 HydrophobicContact CG-SD 3.87Å; P40-Y55 HydrophobicContact CG-CE2 4.2Å; P40-L67 HydrophobicContact CB-CD2 4.35Å; P40-L67 HydrophobicContact CG-CD2 4.08Å
41R88.7Confident82.4Confident119 Ų11961.9 Ų61.945%0.44935%0.353SS..SBendtrans-69.6-32.5177.9-71.8179.6-171.9-172.85.6113.1R39 I66 L67 T68R39-R41 PolarHBondContact O-N 3.17Å; R41-I66 PolarHBondContact N-O 3.01Å; R41-L67 PolarHBondContact NE-O 3.19Å; R41-L67 PolarHBondContact NH2-O 3.33Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; R41-T68 WeakPolarHBondContact CG-OG1 3.3Å
42H82.5Confident81.7Confident133 Ų13366.3 Ų66.362%0.61637%0.371SS*.SBendtrans-136.3136.4-178-52.6-63.5000109.4P40 V45P40-H42 VanDerWaalsContact C-N 3.34Å; H42-V45 HydrophobicContact CB-CG2 3.68Å
43Q71.9Confident81.3Confident202 Ų20271.1 Ų71.194%0.94440%0.395SS*.THydrogen-bonded Turntrans-64.5139172.8-70.9-179.1-16.200109.6
44G68.2Low81.1Confident41 Ų4172.3 Ų72.342%0.42340%0.404SS..THydrogen-bonded Turntrans88.8-10.2176.300000116.6M46 V47G44-M46 PolarHBondContact O-N 2.72Å; G44-M46 VanDerWaalsContact O-N 3.1Å; G44-V47 VanDerWaalsContact O-CG2 3.25Å; G44-V47 WeakPolarHBondContact O-CG2 3.41Å; G44-V47 PolarHBondContact O-N 3.5Å
45V62.4Low81Confident79 Ų7971.5 Ų71.548%0.47940%0.398SS..THydrogen-bonded Turntrans-64.9-18177.4-1800000112.4H42 I66H42-V45 HydrophobicContact CB-CG2 3.68Å; V45-I66 HydrophobicContact CG1-CB 4.38Å; V45-I66 HydrophobicContact CG1-CG2 4.13Å
46M63Low81Confident7 Ų772 Ų723%0.03440%0.401CS..THydrogen-bonded Turntrans-107.721.6-176.7-69.5177.4156.300114.2P40 G44 G48 M49 Q51 Y55 K63 I66 L67P40-M46 HydrophobicContact CB-SD 4.47Å; P40-M46 HydrophobicContact CG-SD 3.87Å; G44-M46 PolarHBondContact O-N 2.72Å; G44-M46 VanDerWaalsContact O-N 3.1Å; M46-G48 PolarHBondContact O-N 3.43Å; M46-G48 VanDerWaalsContact O-N 3.09Å; M46-M49 PolarHBondContact O-N 3.15Å; M46-M49 VanDerWaalsContact O-N 3.11Å; M46-Q51 HydrophobicContact CB-CG 3.89Å; M46-Y55 HydrophobicContact CE-CD2 4.27Å; M46-Y55 HydrophobicContact CE-CE2 3.5Å; M46-Y55 HydrophobicContact SD-CE2 3.56Å; M46-Y55 VanDerWaalsContact SD-CE2 3.56Å; M46-Y55 PolarHBondContact SD-OH 2.74Å; M46-K63 HydrophobicContact CE-CD 3.94Å; M46-I66 HydrophobicContact CE-CD1 3.48Å; M46-I66 VanDerWaalsContact CE-CD1 3.48Å; M46-I66 HydrophobicContact CE-CG1 4.15Å; M46-I66 HydrophobicContact CG-CD1 4.34Å; M46-L67 HydrophobicContact CE-CD2 3.72Å
47V59.1Low81Confident119 Ų11972 Ų7272%0.72140%0.401SS*.THydrogen-bonded Turntrans-56.6117.5174.5172.80000109.3G44G44-V47 VanDerWaalsContact O-CG2 3.25Å; G44-V47 WeakPolarHBondContact O-CG2 3.41Å; G44-V47 PolarHBondContact O-N 3.5Å
48G64.5Low81Confident82 Ų8276.2 Ų76.285%0.84542%0.423SS*.THydrogen-bonded Turntrans98.2-11.4-179.800000116.5M46M46-G48 PolarHBondContact O-N 3.43Å; M46-G48 VanDerWaalsContact O-N 3.09Å
49M63.1Low80.9Confident140 Ų14078.9 Ų78.969%0.6944%0.436SS*.SBendtrans-100.37.9-177.4-62.9-169.892.900114.9M46M46-M49 PolarHBondContact O-N 3.15Å; M46-M49 VanDerWaalsContact O-N 3.11Å
50G64.9Low80.9Confident54 Ų5475.2 Ų75.256%0.55742%0.422SS*.  trans72.790.9-168.400000110.1K52 Y55G50-K52 PolarHBondContact O-N 3.2Å; G50-Y55 PolarHBondContact O-OH 3.1Å
51Q71.2Confident81Confident121 Ų12175 Ų7557%0.56542%0.417SS*.  trans-66.3108.4179-79.6-177.6-18.600109.7M46M46-Q51 HydrophobicContact CB-CG 3.89Å
52K84.7Confident81.2Confident99 Ų9973.9 Ų73.943%0.4343%0.428SS..  trans-99.3146.1164.5-60.8179.1-175.3171.20108.4G50 S54 Y55 E59G50-K52 PolarHBondContact O-N 3.2Å; K52-S54 WeakPolarHBondContact CB-O 3.5Å; K52-S54 PolarHBondContact O-N 3.36Å; K52-Y55 HydrophobicContact CB-CE1 4.08Å; K52-Y55 HydrophobicContact CB-CE2 4.2Å; K52-Y55 HydrophobicContact CD-CD1 4.26Å; K52-Y55 HydrophobicContact CD-CE1 3.93Å; K52-Y55 HydrophobicContact CG-CE1 4.25Å; K52-Y55 PolarHBondContact N-OH 3.03Å; K52-E59 IonicContact NZ-OE1 3.82Å; K52-E59 PolarHBondContact NZ-OE1 3.18Å; K52-E59 IonicContact NZ-OE2 3.18Å; K52-E59 PolarHBondContact NZ-OE2 3.16Å
53D88.7Confident81.7Confident151 Ų15169.8 Ų69.881%0.80741%0.408SS*.SBendtrans-69.3-26.1175.1-64.1-32.9000112.4
54S94.4Very high82.6Confident26 Ų2661.1 Ų61.118%0.18237%0.366CS..  trans-148.2152.6176.454.10000112.7G38 K52G38-S54 CarbonylContact O-C 3.58Å; G38-S54 VanDerWaalsContact O-CA 3.29Å; G38-S54 WeakPolarHBondContact O-CA 3.49Å; K52-S54 WeakPolarHBondContact CB-O 3.5Å; K52-S54 PolarHBondContact O-N 3.36Å
55Y96.1Very high83.6Confident3 Ų362.2 Ų62.21%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-121149.2175.9-61.5-87.1000108.2V37 G38 P40 M46 G50 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.44Å; V37-Y55 WeakPolarHBondContact CA-O 3.29Å; G38-Y55 PolarHBondContact N-O 3.41Å; G38-Y55 PolarHBondContact O-N 3.21Å; P40-Y55 HydrophobicContact CG-CE2 4.2Å; M46-Y55 HydrophobicContact CE-CD2 4.27Å; M46-Y55 HydrophobicContact CE-CE2 3.5Å; M46-Y55 HydrophobicContact SD-CE2 3.56Å; M46-Y55 VanDerWaalsContact SD-CE2 3.56Å; M46-Y55 PolarHBondContact SD-OH 2.74Å; G50-Y55 PolarHBondContact O-OH 3.1Å; K52-Y55 HydrophobicContact CB-CE1 4.08Å; K52-Y55 HydrophobicContact CB-CE2 4.2Å; K52-Y55 HydrophobicContact CD-CD1 4.26Å; K52-Y55 HydrophobicContact CD-CE1 3.93Å; K52-Y55 HydrophobicContact CG-CE1 4.25Å; K52-Y55 PolarHBondContact N-OH 3.03Å; Y55-E59 VanDerWaalsContact CD1-CD 3.42Å; Y55-E59 HydrophobicContact CD1-CG 3.78Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.48Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.28Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.5Å; Y55-K63 HydrophobicContact CD1-CD 4.07Å; Y55-K63 HydrophobicContact CE1-CD 4.1Å; Y55-K63 HydrophobicContact CG-CD 4.43Å; Y55-L67 HydrophobicContact CD2-CD1 3.74Å; Y55-L67 HydrophobicContact CD2-CD2 3.79Å; Y55-L67 HydrophobicContact CD2-CG 4.45Å; Y55-L67 HydrophobicContact CE2-CD2 4.13Å; Y55-L67 HydrophobicContact CG-CD1 3.93Å
56V98.1Very high84.9Confident11 Ų1161.5 Ų61.57%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-127.5151.4-177.5-177.80000109.8F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.28Å; I36-V56 WeakPolarHBondContact O-CA 3.36Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V56-E59 WeakPolarHBondContact O-CB 3.4Å; V56-E59 PolarHBondContact O-N 3.37Å; V56-A60 PolarHBondContact O-N 3.4Å; V56-K86 HydrophobicContact CG2-CB 4.25Å; V56-I87 HydrophobicContact CG1-CG1 3.89Å; V56-H90 HydrophobicContact CB-CB 3.94Å; V56-H90 HydrophobicContact CG1-CB 3.68Å; V56-H90 HydrophobicContact CG2-CB 4.28Å
57G97.7Very high86.3Confident0 Ų061.2 Ų61.20%037%0.369CS..Hα-helixtrans61.8-137.1168.300000114P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.39Å; I36-G57 PolarHBondContact O-N 2.86Å; I36-G57 VanDerWaalsContact O-N 3.14Å; G57-E59 PolarHBondContact O-N 3.06Å; G57-A60 WeakPolarHBondContact O-CB 3.27Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-Q61 PolarHBondContact O-N 2.82Å
58D97.1Very high88Confident88 Ų8858.7 Ų58.747%0.47136%0.355SS..Hα-helixtrans-62.7-29.9-179.2-67.3-42000112.6P34 A60 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.46Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.35Å; D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.48Å; D58-S62 PolarHBondContact O-OG 2.93Å
59E95.3Very high89.5Confident57 Ų5756.3 Ų56.327%0.26632%0.322SS..Hα-helixtrans-65.4-39.4174.3-165.3-176.4179.200111.1K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 3.82Å; K52-E59 PolarHBondContact NZ-OE1 3.18Å; K52-E59 IonicContact NZ-OE2 3.18Å; K52-E59 PolarHBondContact NZ-OE2 3.16Å; Y55-E59 VanDerWaalsContact CD1-CD 3.42Å; Y55-E59 HydrophobicContact CD1-CG 3.78Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.48Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.28Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.5Å; V56-E59 WeakPolarHBondContact O-CB 3.4Å; V56-E59 PolarHBondContact O-N 3.37Å; G57-E59 PolarHBondContact O-N 3.06Å; E59-S62 PolarHBondContact O-OG 2.91Å; E59-S62 VanDerWaalsContact O-OG 3.07Å; E59-K63 IonicContact OE1-NZ 3.82Å; E59-K63 PolarHBondContact OE1-NZ 2.62Å
60A95.9Very high91.1Very high0 Ų055 Ų550%031%0.312CS..Hα-helixtrans-70.4-41.6173.600000111.5I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 3.99Å; I36-A60 HydrophobicContact CG1-CB 4.03Å; V56-A60 PolarHBondContact O-N 3.4Å; G57-A60 WeakPolarHBondContact O-CB 3.27Å; G57-A60 PolarHBondContact O-N 2.91Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.59Å; A60-K63 PolarHBondContact O-N 3.28Å; A60-R64 PolarHBondContact O-N 3.07Å; A60-L67 HydrophobicContact CB-CD1 4.42Å; A60-L69 HydrophobicContact CB-CD2 3.98Å
61Q94.7Very high92.6Very high44 Ų4454.9 Ų54.921%0.20630%0.296CS..Hα-helixtrans-61.7-47.7-178.5-172.962.71000112.1I36 G57 D58 K63 R64 E209I36-Q61 HydrophobicContact CD1-CB 4.03Å; G57-Q61 PolarHBondContact O-N 2.82Å; D58-Q61 PolarHBondContact O-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.1Å; Q61-R64 VanDerWaalsContact O-CB 3.28Å; Q61-R64 WeakPolarHBondContact O-CB 3.14Å; Q61-R64 PolarHBondContact O-N 2.89Å; Q61-E209 VanDerWaalsContact NE2-CG 3.31Å; Q61-E209 PolarHBondContact NE2-OE1 3.08Å; Q61-E209 PolarHBondContact NE2-OE2 3.32Å
62S93Very high93.8Very high95 Ų9549.1 Ų49.166%0.66427%0.269SS*.Hα-helixtrans-62.7-23.6178.556.90000113.5D58 E59D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.48Å; D58-S62 PolarHBondContact O-OG 2.93Å; E59-S62 PolarHBondContact O-OG 2.91Å; E59-S62 VanDerWaalsContact O-OG 3.07Å
63K92Very high94.5Very high47 Ų4744.6 Ų44.620%0.20425%0.249CC..THydrogen-bonded Turntrans-103.413.4179.9-66.1173.7179125.50113.4M46 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact CE-CD 3.94Å; Y55-K63 HydrophobicContact CD1-CD 4.07Å; Y55-K63 HydrophobicContact CE1-CD 4.1Å; Y55-K63 HydrophobicContact CG-CD 4.43Å; E59-K63 IonicContact OE1-NZ 3.82Å; E59-K63 PolarHBondContact OE1-NZ 2.62Å; A60-K63 CarbonylContact O-C 3.59Å; A60-K63 PolarHBondContact O-N 3.28Å; Q61-K63 PolarHBondContact O-N 3.1Å; K63-G65 PolarHBondContact O-N 3.09Å; K63-I66 HydrophobicContact CB-CG1 4.24Å; K63-I66 VanDerWaalsContact O-CG1 3.3Å; K63-I66 WeakPolarHBondContact O-CG1 3.49Å; K63-I66 PolarHBondContact O-N 3.5Å; K63-L67 HydrophobicContact CB-CD1 3.54Å; K63-L67 HydrophobicContact CB-CG 3.82Å; K63-L67 WeakPolarHBondContact O-CG 3.3Å; K63-L67 PolarHBondContact O-N 3.02Å; K63-L67 VanDerWaalsContact O-N 3.15Å
64R91.9Very high94.8Very high19 Ų1942.4 Ų42.47%0.07223%0.234CC..THydrogen-bonded Turntrans-49.3-34.2-176.2179.2176.5-71.2-119.2-1.9114.8A60 Q61 I66 L67 L69 Y71 T205 E209A60-R64 PolarHBondContact O-N 3.07Å; Q61-R64 VanDerWaalsContact O-CB 3.28Å; Q61-R64 WeakPolarHBondContact O-CB 3.14Å; Q61-R64 PolarHBondContact O-N 2.89Å; R64-I66 VanDerWaalsContact C-N 3.25Å; R64-I66 PolarHBondContact O-N 3.17Å; R64-L67 PolarHBondContact O-N 3.14Å; R64-L67 VanDerWaalsContact O-O 3.07Å; R64-L69 HydrophobicContact CB-CD1 3.85Å; R64-L69 HydrophobicContact CG-CD1 3.61Å; R64-L69 HydrophobicContact CG-CG 4.34Å; R64-Y71 PolarHBondContact NH2-OH 3.37Å; R64-T205 WeakPolarHBondContact CD-O 3.47Å; R64-T205 PolarHBondContact NH1-O 2.9Å; R64-E209 IonicContact CZ-OE1 3.89Å; R64-E209 VanDerWaalsContact CZ-OE1 3.25Å; R64-E209 IonicContact NH1-OE1 3.85Å; R64-E209 PolarHBondContact NH1-OE1 3.04Å; R64-E209 IonicContact NH2-OE1 3.13Å; R64-E209 PolarHBondContact NH2-OE1 2.93Å
65G88.2Confident94.8Very high65 Ų6544.4 Ų44.467%0.6724%0.241SC*.THydrogen-bonded Turntrans-62.5-28.3179.900000114.4K63K63-G65 PolarHBondContact O-N 3.09Å
66I90Very high94.8Very high64 Ų6444.9 Ų44.933%0.32825%0.246SC..THydrogen-bonded Turntrans-114-4.5-177.860.9174.1000113.2R41 V45 M46 K63 R64R41-I66 PolarHBondContact N-O 3.01Å; V45-I66 HydrophobicContact CG1-CB 4.38Å; V45-I66 HydrophobicContact CG1-CG2 4.13Å; M46-I66 HydrophobicContact CE-CD1 3.48Å; M46-I66 VanDerWaalsContact CE-CD1 3.48Å; M46-I66 HydrophobicContact CE-CG1 4.15Å; M46-I66 HydrophobicContact CG-CD1 4.34Å; K63-I66 HydrophobicContact CB-CG1 4.24Å; K63-I66 VanDerWaalsContact O-CG1 3.3Å; K63-I66 WeakPolarHBondContact O-CG1 3.49Å; K63-I66 PolarHBondContact O-N 3.5Å; R64-I66 VanDerWaalsContact C-N 3.25Å; R64-I66 PolarHBondContact O-N 3.17Å
67L92.6Very high94.7Very high0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-108.1148.3179.6-59-175.2000111.8R39 P40 R41 M46 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.55Å; R39-L67 WeakPolarHBondContact O-CA 3.11Å; P40-L67 HydrophobicContact CB-CD2 4.35Å; P40-L67 HydrophobicContact CG-CD2 4.08Å; R41-L67 PolarHBondContact NE-O 3.19Å; R41-L67 PolarHBondContact NH2-O 3.33Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; M46-L67 HydrophobicContact CE-CD2 3.72Å; Y55-L67 HydrophobicContact CD2-CD1 3.74Å; Y55-L67 HydrophobicContact CD2-CD2 3.79Å; Y55-L67 HydrophobicContact CD2-CG 4.45Å; Y55-L67 HydrophobicContact CE2-CD2 4.13Å; Y55-L67 HydrophobicContact CG-CD1 3.93Å; A60-L67 HydrophobicContact CB-CD1 4.42Å; K63-L67 HydrophobicContact CB-CD1 3.54Å; K63-L67 HydrophobicContact CB-CG 3.82Å; K63-L67 WeakPolarHBondContact O-CG 3.3Å; K63-L67 PolarHBondContact O-N 3.02Å; K63-L67 VanDerWaalsContact O-N 3.15Å; R64-L67 PolarHBondContact O-N 3.14Å; R64-L67 VanDerWaalsContact O-O 3.07Å; L67-L69 HydrophobicContact CB-CD2 3.86Å; L67-L69 HydrophobicContact CD1-CD2 4.34Å
68T93.8Very high94.7Very high67 Ų6746.3 Ų46.341%0.41125%0.253SS..EExtended strand (participates in β ladder)trans-88.9114.4158.7-61.90000107.2G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.5Å; R39-T68 PolarHBondContact N-O 3.41Å; R39-T68 PolarHBondContact O-N 3.12Å; R41-T68 WeakPolarHBondContact CG-OG1 3.3Å
69L95.3Very high94.8Very high31 Ų3145.6 Ų45.616%0.16225%0.252CS..EExtended strand (participates in β ladder)trans-91.7137.3179.7-56.2-175.7000110.4I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.13Å; A60-L69 HydrophobicContact CB-CD2 3.98Å; R64-L69 HydrophobicContact CB-CD1 3.85Å; R64-L69 HydrophobicContact CG-CD1 3.61Å; R64-L69 HydrophobicContact CG-CG 4.34Å; L67-L69 HydrophobicContact CB-CD2 3.86Å; L67-L69 HydrophobicContact CD1-CD2 4.34Å
70K96.9Very high94.9Very high112 Ų11245.2 Ų45.249%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-126.8151.3173.8-68.1-167.1174.6-170.90110.3I36 V37I36-K70 WeakPolarHBondContact CA-O 3.42Å; V37-K70 PolarHBondContact N-O 3.39Å; V37-K70 PolarHBondContact O-N 2.88Å
71Y96.6Very high95Very high53 Ų5347.5 Ų47.521%0.20826%0.261CS..  trans-112.8115.4177.3-61.6-97000107.2I36 R64 I73 R185I36-Y71 HydrophobicContact CG2-CD1 3.37Å; I36-Y71 HydrophobicContact CG2-CE1 3.14Å; I36-Y71 HydrophobicContact CG2-CE2 4.32Å; I36-Y71 HydrophobicContact CG2-CG 4.08Å; R64-Y71 PolarHBondContact NH2-OH 3.37Å; Y71-I73 PolarHBondContact O-N 3.2Å; Y71-R185 VanDerWaalsContact CD2-NH1 3.3Å; Y71-R185 VanDerWaalsContact CG-NH1 3.28Å
72P98Very high95.2Very high0 Ų050.7 Ų50.70%028%0.279CS..SBendtrans-78.7-7.9-179.127.7-29.9000113.8S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.37Å; P72-I78 CarbonylContact O-C 3.55Å; P72-I78 WeakPolarHBondContact O-CA 3.16Å; P72-T79 PolarHBondContact O-N 3.3Å; P72-T79 PolarHBondContact O-OG1 2.94Å; P72-N80 HydrophobicContact CB-CB 4.09Å; P72-N80 WeakPolarHBondContact CB-O 3.45Å; P72-N80 PolarHBondContact O-N 3.07Å; P72-D83 HydrophobicContact CB-CB 3.79Å; P72-D83 HydrophobicContact CG-CB 4.22Å; P72-M84 HydrophobicContact CB-CB 4.39Å; P72-M84 HydrophobicContact CG-SD 4.22Å; P72-I87 HydrophobicContact CG-CD1 3.34Å; P72-I87 HydrophobicContact CG-CG1 4.43Å
73I97.9Very high95.4Very high3 Ų346.2 Ų46.22%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-119.1119.7178.4-53174.5000108.5N14 S16 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.15Å; S16-I73 WeakPolarHBondContact OG-CG2 3.38Å; Y71-I73 PolarHBondContact O-N 3.2Å; I73-I77 CarbonylContact C-O 3.49Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.31Å; I73-I78 HydrophobicContact CD1-CG1 4.5Å; I73-I78 HydrophobicContact CG1-CG1 3.97Å; I73-M84 HydrophobicContact CD1-CE 4.16Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.91Å
74E95.2Very high95.7Very high106 Ų10644 Ų4450%0.49524%0.238SC..EExtended strand (participates in β ladder)trans-118.7126.8177.5-66.1176.2-155.400109.1G76 I77 T79E74-G76 PolarHBondContact O-N 3.18Å; E74-G76 VanDerWaalsContact O-N 3.15Å; E74-I77 PolarHBondContact N-O 3.09Å; E74-I77 PolarHBondContact O-N 2.98Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.28Å; E74-T79 PolarHBondContact OE1-OG1 3.32Å
75H95.1Very high96.1Very high68 Ų6845.4 Ų45.432%0.31525%0.245SC..THydrogen-bonded Turntrans46.944-177.5-48.1105.2000113.8I77 G160 V161H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.11Å; H75-G160 WeakPolarHBondContact CA-O 3.35Å; H75-G160 PolarHBondContact CD2-O 2.83Å; H75-V161 HydrophobicContact CB-CB 4.29Å
76G94.8Very high96.5Very high13 Ų1345.5 Ų45.513%0.13423%0.228CC..THydrogen-bonded Turntrans78.6-2.2-17900000116.1S16 E74S16-G76 WeakPolarHBondContact OG-CA 3.49Å; S16-G76 PolarHBondContact OG-N 3.43Å; E74-G76 PolarHBondContact O-N 3.18Å; E74-G76 VanDerWaalsContact O-N 3.15Å
77I97.4Very high97Very high25 Ų2542.5 Ų42.513%0.12821%0.212CC..EExtended strand (participates in β ladder)trans-110131-176.9-54.7-55.6000110.4I73 E74 H75 T79 N117I73-I77 CarbonylContact C-O 3.49Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.31Å; E74-I77 PolarHBondContact N-O 3.09Å; E74-I77 PolarHBondContact O-N 2.98Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.11Å; I77-T79 PolarHBondContact O-N 3.07Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.38Å
78I98.2Very high97.2Very high15 Ų1542.5 Ų42.58%0.07721%0.212CC..EExtended strand (participates in β ladder)trans-67.7119.7171.7-61.6160.9000109P72 I73 W81 M84 W88 N117 M121P72-I78 CarbonylContact O-C 3.55Å; P72-I78 WeakPolarHBondContact O-CA 3.16Å; I73-I78 HydrophobicContact CD1-CG1 4.5Å; I73-I78 HydrophobicContact CG1-CG1 3.97Å; I78-W81 HydrophobicContact CB-CH2 4.05Å; I78-W81 HydrophobicContact CB-CZ2 4.1Å; I78-W81 HydrophobicContact CB-CZ3 4.35Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.75Å; I78-W81 HydrophobicContact CD1-CZ3 3.67Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.82Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 3.99Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.42Å; I78-M84 HydrophobicContact CG1-CG 4.21Å; I78-M84 HydrophobicContact CG1-SD 4.27Å; I78-M84 HydrophobicContact CG2-CB 3.99Å; I78-M84 HydrophobicContact CG2-CG 4.23Å; I78-W88 HydrophobicContact CD1-CH2 4.07Å; I78-W88 HydrophobicContact CD1-CZ2 4.14Å; I78-N117 PolarHBondContact O-ND2 2.83Å; I78-M121 HydrophobicContact CD1-CG 4.05Å; I78-M121 HydrophobicContact CD1-SD 4Å
79T97.4Very high97.5Very high74 Ų7443.8 Ų43.845%0.45421%0.213SC..  trans-109-18.3177.758.60000112.6P72 E74 I77P72-T79 PolarHBondContact O-N 3.3Å; P72-T79 PolarHBondContact O-OG1 2.94Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.28Å; E74-T79 PolarHBondContact OE1-OG1 3.32Å; I77-T79 PolarHBondContact O-N 3.07Å
80N98.3Very high97.6Very high49 Ų4943.1 Ų43.126%0.26221%0.209SC..  trans-132.3104177.4-170.5-46.2000111.5P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.09Å; P72-N80 WeakPolarHBondContact CB-O 3.45Å; P72-N80 PolarHBondContact O-N 3.07Å; N80-D82 PolarHBondContact OD1-N 3.1Å; N80-D83 HydrophobicContact CB-CB 4.25Å; N80-D83 WeakPolarHBondContact OD1-CB 3.36Å; N80-D83 PolarHBondContact OD1-N 3.07Å; N80-M84 WeakPolarHBondContact O-CB 3.04Å; N80-M84 PolarHBondContact O-N 2.97Å
81W98.3Very high97.7Very high47 Ų4737.8 Ų37.818%0.17819%0.186CC..Hα-helixtrans-71.4-39.8-177-66.4101.5000113.3I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.05Å; I78-W81 HydrophobicContact CB-CZ2 4.1Å; I78-W81 HydrophobicContact CB-CZ3 4.35Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.75Å; I78-W81 HydrophobicContact CD1-CZ3 3.67Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.82Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.07Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 3.99Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 3.24Å; W81-M84 PolarHBondContact O-N 3.33Å; W81-M84 VanDerWaalsContact O-N 3.1Å; W81-E85 WeakPolarHBondContact O-CG 3.46Å; W81-E85 PolarHBondContact O-N 2.93Å; W81-W88 HydrophobicContact CE3-CH2 4.48Å; W81-W88 HydrophobicContact CZ3-CH2 4.01Å; W81-W88 HydrophobicContact CZ3-CZ3 4.45Å; W81-N117 HydrophobicContact CH2-CB 4.14Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 3.46Å; W81-N117 HydrophobicContact CZ2-CB 3.87Å; W81-K120 HydrophobicContact CD2-CB 4.23Å; W81-K120 HydrophobicContact CD2-CG 3.41Å; W81-K120 VanDerWaalsContact CD2-CG 3.41Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.33Å; W81-K120 HydrophobicContact CE3-CG 3.64Å; W81-K120 HydrophobicContact CG-CG 3.93Å; W81-K120 HydrophobicContact CH2-CB 3.76Å; W81-K120 HydrophobicContact CH2-CG 3.99Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.8Å; W81-K120 HydrophobicContact CZ3-CB 4.08Å; W81-K120 HydrophobicContact CZ3-CG 3.89Å; W81-M121 HydrophobicContact CH2-CG 3.67Å; W81-M121 HydrophobicContact CZ3-CB 4.49Å; W81-M121 HydrophobicContact CZ3-CG 3.68Å; W81-I124 HydrophobicContact CB-CD1 4.47Å; W81-I124 HydrophobicContact CD2-CD1 4.26Å; W81-I124 HydrophobicContact CE3-CD1 3.45Å; W81-I124 VanDerWaalsContact CE3-CD1 3.45Å; W81-I124 HydrophobicContact CZ3-CD1 4.07Å
82D98.1Very high97.8Very high111 Ų11135.2 Ų35.259%0.59418%0.176SC*.Hα-helixtrans-60.9-38.7178.4-60.4-10.7000112N80 K86N80-D82 PolarHBondContact OD1-N 3.1Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.11Å
83D98.4Very high97.8Very high1 Ų139.5 Ų39.51%0.00519%0.193CC..Hα-helixtrans-76.2-32.6176.3-78.6-7.3000111.5V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.25Å; V37-D83 HydrophobicContact CG2-CB 3.75Å; V37-D83 WeakPolarHBondContact CG2-O 3.22Å; R39-D83 IonicContact CZ-OD1 3.86Å; R39-D83 IonicContact CZ-OD2 3.5Å; R39-D83 VanDerWaalsContact NH1-CG 3.34Å; R39-D83 IonicContact NH1-OD1 3.08Å; R39-D83 PolarHBondContact NH1-OD1 3.24Å; R39-D83 IonicContact NH1-OD2 2.83Å; R39-D83 PolarHBondContact NH1-OD2 2.84Å; R39-D83 IonicContact NH2-OD1 2.73Å; R39-D83 PolarHBondContact NH2-OD1 3.41Å; R39-D83 IonicContact NH2-OD2 3.83Å; P72-D83 HydrophobicContact CB-CB 3.79Å; P72-D83 HydrophobicContact CG-CB 4.22Å; N80-D83 HydrophobicContact CB-CB 4.25Å; N80-D83 WeakPolarHBondContact OD1-CB 3.36Å; N80-D83 PolarHBondContact OD1-N 3.07Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 3.24Å; D83-K86 PolarHBondContact O-N 3.41Å; D83-K86 IonicContact OD1-NZ 2.74Å; D83-I87 WeakPolarHBondContact O-CG1 3.48Å; D83-I87 PolarHBondContact O-N 2.97Å; D83-I87 VanDerWaalsContact O-N 3.09Å
84M98.4Very high97.8Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-67.7-39.8173.6-163.566.2-151.600112.3N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.26Å; N14-M84 WeakPolarHBondContact OD1-CE 3.16Å; P72-M84 HydrophobicContact CB-CB 4.39Å; P72-M84 HydrophobicContact CG-SD 4.22Å; I73-M84 HydrophobicContact CD1-CE 4.16Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.91Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.42Å; I78-M84 HydrophobicContact CG1-CG 4.21Å; I78-M84 HydrophobicContact CG1-SD 4.27Å; I78-M84 HydrophobicContact CG2-CB 3.99Å; I78-M84 HydrophobicContact CG2-CG 4.23Å; N80-M84 WeakPolarHBondContact O-CB 3.04Å; N80-M84 PolarHBondContact O-N 2.97Å; W81-M84 PolarHBondContact O-N 3.33Å; W81-M84 VanDerWaalsContact O-N 3.1Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 3.37Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.92Å; M84-I87 WeakPolarHBondContact O-CA 3.26Å; M84-I87 WeakPolarHBondContact O-CB 3.46Å; M84-I87 PolarHBondContact O-N 3.49Å; M84-I87 VanDerWaalsContact O-N 3.07Å; M84-I87 HydrophobicContact SD-CB 4.48Å; M84-I87 HydrophobicContact SD-CD1 4.45Å; M84-W88 HydrophobicContact CB-CZ3 4.4Å; M84-W88 HydrophobicContact CE-CD2 4.09Å; M84-W88 HydrophobicContact CE-CG 4.35Å; M84-W88 HydrophobicContact CE-CZ2 3.71Å; M84-W88 HydrophobicContact CG-CD2 4.02Å; M84-W88 HydrophobicContact CG-CE3 4.01Å; M84-W88 HydrophobicContact CG-CH2 3.61Å; M84-W88 HydrophobicContact CG-CZ2 3.61Å; M84-W88 HydrophobicContact CG-CZ3 3.81Å; M84-W88 PolarHBondContact O-N 2.91Å; M84-W88 HydrophobicContact SD-CZ2 4.48Å
85E98.4Very high97.9Very high49 Ų4941.2 Ų41.223%0.22920%0.203CC..Hα-helixtrans-59.3-40.5173.9-76.8-174.5-133.800111.6W81 I87 W88 H89 I124W81-E85 WeakPolarHBondContact O-CG 3.46Å; W81-E85 PolarHBondContact O-N 2.93Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.72Å; E85-W88 PolarHBondContact O-N 2.77Å; E85-H89 WeakPolarHBondContact O-CB 3.4Å; E85-H89 PolarHBondContact O-N 2.86Å; E85-I124 HydrophobicContact CG-CD1 3.87Å; E85-I124 HydrophobicContact CG-CG1 4.25Å; E85-I124 HydrophobicContact CG-CG2 3.7Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.25Å
86K98.4Very high98.1Very high68 Ų6838.7 Ų38.730%0.29619%0.192SC..Hα-helixtrans-64.1-38.5173.2-72.5169-177.2158.70112.6V37 R39 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.26Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; R39-K86 VanDerWaalsContact NH2-NZ 3.14Å; V56-K86 HydrophobicContact CG2-CB 4.25Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.11Å; D83-K86 PolarHBondContact O-N 3.41Å; D83-K86 IonicContact OD1-NZ 2.74Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 3.37Å; K86-H90 WeakPolarHBondContact O-CB 3.34Å; K86-H90 PolarHBondContact O-N 3.16Å
87I98.7Very high98.2Very high0 Ų048.1 Ų48.10%022%0.223CC..Hα-helixtrans-62.8-48.5174.8-74.3-179000110.4V19 F33 V37 V56 P72 D83 M84 E85 H90 T91V19-I87 HydrophobicContact CG2-CG2 3.65Å; F33-I87 HydrophobicContact CE2-CG2 4.14Å; F33-I87 HydrophobicContact CZ-CG2 4.21Å; V37-I87 HydrophobicContact CG2-CD1 4.36Å; V37-I87 HydrophobicContact CG2-CG1 3.99Å; V56-I87 HydrophobicContact CG1-CG1 3.89Å; P72-I87 HydrophobicContact CG-CD1 3.34Å; P72-I87 HydrophobicContact CG-CG1 4.43Å; D83-I87 WeakPolarHBondContact O-CG1 3.48Å; D83-I87 PolarHBondContact O-N 2.97Å; D83-I87 VanDerWaalsContact O-N 3.09Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.92Å; M84-I87 WeakPolarHBondContact O-CA 3.26Å; M84-I87 WeakPolarHBondContact O-CB 3.46Å; M84-I87 PolarHBondContact O-N 3.49Å; M84-I87 VanDerWaalsContact O-N 3.07Å; M84-I87 HydrophobicContact SD-CB 4.48Å; M84-I87 HydrophobicContact SD-CD1 4.45Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.72Å; I87-H90 WeakPolarHBondContact O-CB 3.29Å; I87-H90 PolarHBondContact O-N 2.94Å; I87-H90 VanDerWaalsContact O-N 3.16Å; I87-T91 PolarHBondContact O-N 2.82Å; I87-T91 PolarHBondContact O-OG1 3.45Å
88W98.7Very high98.2Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-65.2-40.5178.3-70-40.8000112.9N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3.37Å; I78-W88 HydrophobicContact CD1-CH2 4.07Å; I78-W88 HydrophobicContact CD1-CZ2 4.14Å; W81-W88 HydrophobicContact CE3-CH2 4.48Å; W81-W88 HydrophobicContact CZ3-CH2 4.01Å; W81-W88 HydrophobicContact CZ3-CZ3 4.45Å; M84-W88 HydrophobicContact CB-CZ3 4.4Å; M84-W88 HydrophobicContact CE-CD2 4.09Å; M84-W88 HydrophobicContact CE-CG 4.35Å; M84-W88 HydrophobicContact CE-CZ2 3.71Å; M84-W88 HydrophobicContact CG-CD2 4.02Å; M84-W88 HydrophobicContact CG-CE3 4.01Å; M84-W88 HydrophobicContact CG-CH2 3.61Å; M84-W88 HydrophobicContact CG-CZ2 3.61Å; M84-W88 HydrophobicContact CG-CZ3 3.81Å; M84-W88 PolarHBondContact O-N 2.91Å; M84-W88 HydrophobicContact SD-CZ2 4.48Å; E85-W88 PolarHBondContact O-N 2.77Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 3.24Å; W88-T91 WeakPolarHBondContact O-CB 3.33Å; W88-T91 PolarHBondContact O-N 3.3Å; W88-T91 VanDerWaalsContact O-N 3.14Å; W88-F92 HydrophobicContact CB-CD2 4.43Å; W88-F92 HydrophobicContact CB-CE2 3.97Å; W88-F92 WeakPolarHBondContact O-CD2 3.38Å; W88-F92 WeakPolarHBondContact O-CG 3.49Å; W88-F92 PolarHBondContact O-N 3.05Å; W88-L107 HydrophobicContact CZ2-CD2 4Å; W88-M121 HydrophobicContact CH2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-CG 4.46Å; W88-I124 HydrophobicContact CE3-CG2 3.88Å; W88-I124 HydrophobicContact CZ3-CB 4.27Å; W88-I124 HydrophobicContact CZ3-CD1 4Å; W88-I124 HydrophobicContact CZ3-CG2 3.76Å; W88-M125 HydrophobicContact CB-CE 4.29Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 HydrophobicContact CE3-CE 3.52Å; W88-M125 HydrophobicContact CG-CE 3.68Å; W88-M125 HydrophobicContact CH2-CE 4.18Å; W88-M125 HydrophobicContact CZ2-CE 4Å; W88-M125 HydrophobicContact CZ3-CE 3.96Å; W88-F129 HydrophobicContact CB-CE2 3.71Å; W88-F129 HydrophobicContact CB-CZ 3.64Å; W88-F129 HydrophobicContact CE3-CE2 4.09Å
89H98.4Very high98.2Very high94 Ų9448.4 Ų48.444%0.43523%0.23SC..Hα-helixtrans-57.1-44.5171.9-176.8-63.9000111E85 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.4Å; E85-H89 PolarHBondContact O-N 2.86Å; H89-F92 PolarHBondContact O-N 2.8Å; H89-Y93 HydrophobicContact CB-CD2 4.44Å; H89-Y93 AromaticContact CD2-CD2 3.65Å; H89-Y93 AromaticContact CD2-CE2 3.73Å; H89-Y93 AromaticContact CE1-CD2 3.49Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.49Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.22Å; H89-Y93 AromaticContact CG-CD2 3.68Å; H89-Y93 AromaticContact ND1-CD2 3.58Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.82Å; H89-Y93 WeakPolarHBondContact O-CB 3.17Å; H89-Y93 VanDerWaalsContact O-CD2 3.29Å; H89-Y93 WeakPolarHBondContact O-CD2 3.4Å; H89-Y93 PolarHBondContact O-N 2.83Å; H89-F129 HydrophobicContact CB-CE1 4.09Å; H89-F129 HydrophobicContact CB-CZ 4.23Å
90H98.4Very high98.2Very high17 Ų1744.9 Ų44.98%0.07921%0.208CC..Iπ-helixtrans-62.8-44.2175.3-176.269.5000112F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.74Å; F33-H90 AromaticContact CZ-CD2 3.97Å; V56-H90 HydrophobicContact CB-CB 3.94Å; V56-H90 HydrophobicContact CG1-CB 3.68Å; V56-H90 HydrophobicContact CG2-CB 4.28Å; K86-H90 WeakPolarHBondContact O-CB 3.34Å; K86-H90 PolarHBondContact O-N 3.16Å; I87-H90 WeakPolarHBondContact O-CB 3.29Å; I87-H90 PolarHBondContact O-N 2.94Å; I87-H90 VanDerWaalsContact O-N 3.16Å; W88-H90 VanDerWaalsContact C-N 3.27Å; W88-H90 PolarHBondContact O-N 3.24Å; H90-F92 PolarHBondContact O-N 2.97Å; H90-N94 WeakPolarHBondContact ND1-CB 3.44Å; H90-N94 PolarHBondContact ND1-OD1 3.07Å; H90-N94 WeakPolarHBondContact O-CA 3.46Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 3.09Å; H90-E95 IonicContact CE1-OE1 2.92Å; H90-E95 IonicContact NE2-OE1 2.84Å; H90-E95 PolarHBondContact NE2-OE1 3.43Å; H90-E95 PolarHBondContact O-N 2.9Å
91T98.7Very high98.2Very high0 Ų047.1 Ų47.10%022%0.217CC..Iπ-helixtrans-53.6-53.5174.8-55.90000111.5A21 F33 I87 W88 E95 L96A21-T91 HydrophobicContact CB-CG2 3.31Å; F33-T91 VanDerWaalsContact CZ-OG1 3.3Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.11Å; I87-T91 PolarHBondContact O-N 2.82Å; I87-T91 PolarHBondContact O-OG1 3.45Å; W88-T91 WeakPolarHBondContact O-CB 3.33Å; W88-T91 PolarHBondContact O-N 3.3Å; W88-T91 VanDerWaalsContact O-N 3.14Å; T91-E95 WeakPolarHBondContact O-CB 3.47Å; T91-L96 HydrophobicContact CG2-CD1 4.19Å; T91-L96 HydrophobicContact CG2-CG 4.45Å; T91-L96 WeakPolarHBondContact O-CB 3.48Å; T91-L96 WeakPolarHBondContact O-CG 3.34Å; T91-L96 PolarHBondContact O-N 3.42Å
92F98.7Very high98.2Very high0 Ų050.6 Ų50.60%024%0.235CC..Iπ-helixtrans-72.4-51.3-174.1-58.5-46.9000112L10 W88 H89 H90 L96 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.8Å; L10-F92 HydrophobicContact CD1-CE1 3.87Å; W88-F92 HydrophobicContact CB-CD2 4.43Å; W88-F92 HydrophobicContact CB-CE2 3.97Å; W88-F92 WeakPolarHBondContact O-CD2 3.38Å; W88-F92 WeakPolarHBondContact O-CG 3.49Å; W88-F92 PolarHBondContact O-N 3.05Å; H89-F92 PolarHBondContact O-N 2.8Å; H90-F92 PolarHBondContact O-N 2.97Å; F92-L96 CarbonylContact O-C 3.54Å; F92-R97 WeakPolarHBondContact O-CA 3.48Å; F92-R97 PolarHBondContact O-N 2.99Å; F92-V98 PolarHBondContact O-N 2.78Å; F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.32Å; F92-P100 HydrophobicContact CD1-CB 4.33Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE2-CB 4.09Å; F92-P100 HydrophobicContact CG-CB 3.95Å; F92-P100 HydrophobicContact CG-CG 4.24Å; F92-P100 HydrophobicContact CZ-CB 4.48Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.19Å; F92-M125 HydrophobicContact CE2-CE 4.42Å; F92-M125 HydrophobicContact CE2-SD 4.37Å; F92-M125 HydrophobicContact CZ-CE 4.35Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; F92-F129 AromaticContact CD2-CD1 3.73Å; F92-F129 HydrophobicContact CD2-CD1 3.73Å; F92-F129 AromaticContact CD2-CE1 3.85Å; F92-F129 HydrophobicContact CD2-CE1 3.85Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CD2-CZ 4.44Å; F92-F129 HydrophobicContact CE2-CB 4.43Å; F92-F129 AromaticContact CE2-CD1 3.88Å; F92-F129 HydrophobicContact CE2-CD1 3.88Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.14Å; F92-F129 HydrophobicContact CE2-CE2 4.39Å; F92-F129 AromaticContact CE2-CG 3.88Å; F92-F129 HydrophobicContact CE2-CG 3.88Å; F92-F129 HydrophobicContact CE2-CZ 4.39Å
93Y98.2Very high98.1Very high90 Ų9046.3 Ų46.335%0.35321%0.211SC..Iπ-helixtrans-91.1-28.2-167.9-63.2-73000114.5H89 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.44Å; H89-Y93 AromaticContact CD2-CD2 3.65Å; H89-Y93 AromaticContact CD2-CE2 3.73Å; H89-Y93 AromaticContact CE1-CD2 3.49Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.49Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.22Å; H89-Y93 AromaticContact CG-CD2 3.68Å; H89-Y93 AromaticContact ND1-CD2 3.58Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.82Å; H89-Y93 WeakPolarHBondContact O-CB 3.17Å; H89-Y93 VanDerWaalsContact O-CD2 3.29Å; H89-Y93 WeakPolarHBondContact O-CD2 3.4Å; H89-Y93 PolarHBondContact O-N 2.83Å; Y93-P100 HydrophobicContact CE2-CG 4.36Å; Y93-P100 WeakPolarHBondContact OH-CD 3.4Å; Y93-F129 HydrophobicContact CE2-CE1 4.48Å
94N97.5Very high98.1Very high76 Ų7647 Ų4741%0.40622%0.215SC..Iπ-helixtrans-99.9-49-177.7-64.299.2000112.3H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.44Å; H90-N94 PolarHBondContact ND1-OD1 3.07Å; H90-N94 WeakPolarHBondContact O-CA 3.46Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 3.09Å; N94-R97 WeakPolarHBondContact O-CG 3.4Å
95E98.3Very high98.1Very high68 Ų6847 Ų4732%0.31822%0.215SC..Iπ-helixtrans-81.1-55.9-174.5-64.4-59.4128.900111.3A31 F33 H90 T91A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.24Å; F33-E95 HydrophobicContact CD1-CG 3.76Å; F33-E95 HydrophobicContact CE1-CB 4.49Å; F33-E95 HydrophobicContact CE1-CG 3.79Å; F33-E95 HydrophobicContact CG-CG 4.5Å; H90-E95 IonicContact CE1-OE1 2.92Å; H90-E95 IonicContact NE2-OE1 2.84Å; H90-E95 PolarHBondContact NE2-OE1 3.43Å; H90-E95 PolarHBondContact O-N 2.9Å; T91-E95 WeakPolarHBondContact O-CB 3.47Å
96L98Very high98.1Very high16 Ų1644.6 Ų44.68%0.08421%0.205CC..Iπ-helixtrans-84.3-25.9179.8-61.5-177.4000113.4L10 A21 F23 R30 T91 F92 V98L10-L96 HydrophobicContact CD1-CD1 4.14Å; L10-L96 HydrophobicContact CD2-CD1 4.01Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.3Å; A21-L96 HydrophobicContact CB-CG 4.31Å; F23-L96 HydrophobicContact CE2-CD2 4.39Å; R30-L96 HydrophobicContact CB-CD2 3.96Å; T91-L96 HydrophobicContact CG2-CD1 4.19Å; T91-L96 HydrophobicContact CG2-CG 4.45Å; T91-L96 WeakPolarHBondContact O-CB 3.48Å; T91-L96 WeakPolarHBondContact O-CG 3.34Å; T91-L96 PolarHBondContact O-N 3.42Å; F92-L96 CarbonylContact O-C 3.54Å; L96-V98 HydrophobicContact CB-CG2 3.89Å
97R98Very high98.1Very high210 Ų21041.4 Ų41.479%0.79219%0.19SC*.  trans56.947.1-179-53.4-179.7-175.8-179.52113F92 N94F92-R97 WeakPolarHBondContact O-CA 3.48Å; F92-R97 PolarHBondContact O-N 2.99Å; N94-R97 WeakPolarHBondContact O-CG 3.4Å
98V97.8Very high98.1Very high24 Ų2441.5 Ų41.515%0.14519%0.191CC..  trans-126.1160.1178.7-65.10000111.5L10 F23 F92 L96L10-V98 HydrophobicContact CD1-CG2 3.82Å; F23-V98 HydrophobicContact CE1-CG1 4.2Å; F23-V98 HydrophobicContact CZ-CG1 3.62Å; F92-V98 PolarHBondContact O-N 2.78Å; L96-V98 HydrophobicContact CB-CG2 3.89Å
99A97.7Very high98Very high23 Ų2342 Ų4219%0.1919%0.194CC..  trans-87.8113.8169.500000108.9E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.27Å; A99-E101 PolarHBondContact O-N 3Å; A99-E102 HydrophobicContact CB-CG 4.12Å; A99-E102 PolarHBondContact O-N 2.83Å; A99-H103 PolarHBondContact O-CD2 2.92Å
100P97.7Very high97.9Very high0 Ų037.7 Ų37.70%017%0.174CC..G310 helixtrans-61.1-25.2-175.923.8-32.5000113.8F92 Y93 E102 H103 F129 V131F92-P100 HydrophobicContact CB-CB 4.42Å; F92-P100 HydrophobicContact CB-CG 4.32Å; F92-P100 HydrophobicContact CD1-CB 4.33Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE2-CB 4.09Å; F92-P100 HydrophobicContact CG-CB 3.95Å; F92-P100 HydrophobicContact CG-CG 4.24Å; F92-P100 HydrophobicContact CZ-CB 4.48Å; Y93-P100 HydrophobicContact CE2-CG 4.36Å; Y93-P100 WeakPolarHBondContact OH-CD 3.4Å; P100-E102 PolarHBondContact O-N 3.11Å; P100-H103 PolarHBondContact O-N 3.05Å; P100-H103 VanDerWaalsContact O-N 3.16Å; P100-F129 HydrophobicContact CB-CB 4.16Å; P100-F129 HydrophobicContact CG-CB 4.06Å; P100-F129 HydrophobicContact CG-CD1 3.94Å; P100-F129 HydrophobicContact CG-CG 4.45Å; P100-V131 HydrophobicContact CB-CG1 4.17Å
101E97.8Very high97.8Very high96 Ų9637 Ų3745%0.44917%0.171SC..G310 helixtrans-64.5-14174.161.9-94.1-139.300114.2A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.27Å; A99-E101 PolarHBondContact O-N 3Å; E101-N130 WeakPolarHBondContact CA-O 3.5Å; E101-N130 HydrophobicContact CB-CB 4.2Å; E101-P132 WeakPolarHBondContact O-CD 3.46Å
102E97.2Very high97.5Very high119 Ų11941.7 Ų41.756%0.55620%0.196SC*.G310 helixtrans-95.7-2.9177-61.1-179.1172.600112.8T7 A99 P100T7-E102 VanDerWaalsContact CB-O 3.22Å; T7-E102 WeakPolarHBondContact CB-O 3.47Å; T7-E102 VanDerWaalsContact CG2-O 3.26Å; T7-E102 WeakPolarHBondContact CG2-O 3.23Å; A99-E102 HydrophobicContact CB-CG 4.12Å; A99-E102 PolarHBondContact O-N 2.83Å; P100-E102 PolarHBondContact O-N 3.11Å
103H97.5Very high97.4Very high22 Ų2242.6 Ų42.610%0.10220%0.2CC..SBendtrans-136.8124.6-170.6-62.7-82.7000114.2T8 L10 F23 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 3.33Å; L10-H103 HydrophobicContact CD1-CB 3.91Å; L10-H103 HydrophobicContact CG-CB 3.72Å; F23-H103 AromaticContact CE1-CE1 3.9Å; A99-H103 PolarHBondContact O-CD2 2.92Å; P100-H103 PolarHBondContact O-N 3.05Å; P100-H103 VanDerWaalsContact O-N 3.16Å; H103-T105 PolarHBondContact O-N 2.86Å; H103-T105 PolarHBondContact O-OG1 3.04Å; H103-P132 WeakPolarHBondContact O-CD 3.43Å
104P97.9Very high97.3Very high14 Ų1441.1 Ų41.19%0.09120%0.202CC..  trans-53.3138.7163.1-24.234.4000110.5A9 L10 P132 A133 W358A9-P104 CarbonylContact C-O 3.48Å; A9-P104 WeakPolarHBondContact CA-O 3.4Å; A9-P104 HydrophobicContact CB-CB 4.08Å; A9-P104 WeakPolarHBondContact CB-O 3.49Å; L10-P104 PolarHBondContact N-O 3.38Å; P104-P132 HydrophobicContact CG-CG 4.35Å; P104-A133 CarbonylContact C-O 3.37Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.33Å; P104-A133 HydrophobicContact CB-CB 4.08Å; P104-A133 HydrophobicContact CG-CB 4.42Å; P104-W358 HydrophobicContact CB-CD2 4.38Å; P104-W358 HydrophobicContact CB-CE3 4.46Å; P104-W358 HydrophobicContact CB-CH2 4.11Å; P104-W358 HydrophobicContact CB-CZ2 4.01Å; P104-W358 HydrophobicContact CB-CZ3 4.34Å
105T98.5Very high97.3Very high0 Ų044.3 Ų44.30%021%0.212CC..EExtended strand (participates in β ladder)trans-126.8117-174-63.50000112.1L10 F92 H103 L107 M125 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.47Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.19Å; H103-T105 PolarHBondContact O-N 2.86Å; H103-T105 PolarHBondContact O-OG1 3.04Å; T105-L107 HydrophobicContact CG2-CD1 4.12Å; T105-L107 HydrophobicContact CG2-CG 4.09Å; T105-M125 HydrophobicContact CG2-SD 4.49Å; T105-A133 PolarHBondContact N-O 3.44Å; T105-M134 WeakPolarHBondContact O-CA 3.3Å; T105-M134 VanDerWaalsContact O-CB 3.3Å; T105-M134 WeakPolarHBondContact O-CB 3.44Å; T105-Y135 PolarHBondContact O-N 2.82Å; T105-Y135 VanDerWaalsContact O-N 3.11Å
106L98.6Very high97.3Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-88.2124.6168.8-173.2151.6000109.5L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 2.73Å; V11-L106 WeakPolarHBondContact CA-O 3.44Å; V11-L106 HydrophobicContact CG1-CD2 4.14Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; C12-L106 PolarHBondContact N-O 2.99Å; L106-T108 HydrophobicContact CD2-CG2 4.24Å; L106-Y135 CarbonylContact C-O 3.54Å; L106-Y135 WeakPolarHBondContact CA-O 3.26Å; L106-Y135 HydrophobicContact CD1-CD1 4.31Å; L106-A137 HydrophobicContact CD2-CB 4.31Å; L106-L142 HydrophobicContact CD2-CD1 4.05Å; L106-L348 HydrophobicContact CD1-CD2 4.21Å; L106-A349 HydrophobicContact CD1-CB 4.27Å; L106-F354 HydrophobicContact CD1-CE1 4.25Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; L106-W358 HydrophobicContact CB-CH2 3.87Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å
107L98.6Very high97.3Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-110.8148.2174.1-66.3126.1000110.3C12 N14 W88 T105 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 4.05Å; C12-L107 HydrophobicContact CB-CG 4.48Å; C12-L107 WeakPolarHBondContact O-CA 3.3Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.38Å; W88-L107 HydrophobicContact CZ2-CD2 4Å; T105-L107 HydrophobicContact CG2-CD1 4.12Å; T105-L107 HydrophobicContact CG2-CG 4.09Å; L107-M125 HydrophobicContact CD1-CE 4Å; L107-M125 HydrophobicContact CD1-CG 3.55Å; L107-M125 HydrophobicContact CD1-SD 3.8Å; L107-M125 HydrophobicContact CD2-CE 3.61Å; L107-M125 HydrophobicContact CD2-SD 4.38Å; L107-M125 HydrophobicContact CG-CE 4.41Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; L107-Y135 PolarHBondContact N-O 3.4Å; L107-V136 CarbonylContact O-C 3.53Å; L107-V136 WeakPolarHBondContact O-CA 3.26Å; L107-A137 PolarHBondContact O-N 2.92Å
108T98.1Very high97.3Very high2 Ų235.7 Ų35.71%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-100.2150.317675.60000111.7C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 3.34Å; C12-T108 VanDerWaalsContact O-N 3.1Å; D13-T108 VanDerWaalsContact CA-OG1 3.26Å; D13-T108 WeakPolarHBondContact CA-OG1 3.42Å; D13-T108 HydrophobicContact CB-CG2 4.04Å; D13-T108 PolarHBondContact OD1-OG1 3.38Å; N14-T108 PolarHBondContact N-OG1 3.12Å; N14-T108 PolarHBondContact ND2-O 2.82Å; L106-T108 HydrophobicContact CD2-CG2 4.24Å; T108-A137 CarbonylContact C-O 3.58Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.37Å; T108-Q139 PolarHBondContact OG1-NE2 3.49Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; T108-V341 HydrophobicContact CG2-CG1 3.77Å
109E97.1Very high97.3Very high12 Ų1237.8 Ų37.86%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-134.5149.7172.669.1-177.9174.100112.2N113 R118 M121 V136 A137 I138 Q139E109-N113 HydrophobicContact CB-CB 4.3Å; E109-N113 HydrophobicContact CG-CB 4.43Å; E109-N113 WeakPolarHBondContact OE2-CB 3.4Å; E109-N113 PolarHBondContact OE2-ND2 2.8Å; E109-R118 IonicContact OE1-CZ 2.62Å; E109-R118 IonicContact OE1-NE 3.41Å; E109-R118 PolarHBondContact OE1-NE 3.25Å; E109-R118 IonicContact OE1-NH2 2.91Å; E109-R118 PolarHBondContact OE1-NH2 2.91Å; E109-R118 WeakPolarHBondContact OE2-CG 3.38Å; E109-R118 IonicContact OE2-NE 3.78Å; E109-R118 PolarHBondContact OE2-NE 3.23Å; E109-M121 HydrophobicContact CB-CE 4.36Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.34Å; E109-A137 PolarHBondContact N-O 3.29Å; E109-I138 HydrophobicContact CG-CG1 4.45Å; E109-I138 WeakPolarHBondContact O-CA 3.35Å; E109-Q139 WeakPolarHBondContact O-CG 3.38Å; E109-Q139 PolarHBondContact O-N 2.87Å
110A95.8Very high97.3Very high2 Ų239.9 Ų39.92%0.01720%0.204CC..  trans-64.6150.3166.400000110.2N113A110-N113 WeakPolarHBondContact O-CB 3.32Å; A110-N113 PolarHBondContact O-N 3.01Å
111P95.5Very high97.3Very high2 Ų240 Ų401%0.01321%0.205CC..THydrogen-bonded Turntrans-59.3152.8171.828.7-37000111.1N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 2.81Å; P111-I138 HydrophobicContact CB-CG2 4.16Å; P111-H163 HydrophobicContact CG-CB 3.88Å; P111-H163 WeakPolarHBondContact CG-CD2 3.41Å; P111-H163 VanDerWaalsContact CG-CG 3.46Å; P111-V165 HydrophobicContact CB-CG2 4.12Å; P111-V165 HydrophobicContact CG-CG2 3.78Å; P111-I177 HydrophobicContact CB-CD1 3.8Å; P111-I177 HydrophobicContact CB-CG2 4.15Å; P111-I177 HydrophobicContact CG-CG2 4.25Å
112L93.7Very high97.4Very high100 Ų10035.4 Ų35.452%0.52418%0.184SC..THydrogen-bonded Turntrans62.524.4-179.2-47.4174.9000114.2I177L112-I177 HydrophobicContact CD1-CB 4.41Å; L112-I177 HydrophobicContact CD1-CG2 4.05Å; L112-I177 HydrophobicContact CD2-CD1 4.24Å; L112-I177 HydrophobicContact CG-CD1 4.45Å; L112-I177 HydrophobicContact CG-CG2 4.27Å
113N95.7Very high97.4Very high19 Ų1932.6 Ų32.610%0.10217%0.17CC..  trans-58.5132174.4-165.819.7000111.1E109 A110 P111 K115 N117 M121E109-N113 HydrophobicContact CB-CB 4.3Å; E109-N113 HydrophobicContact CG-CB 4.43Å; E109-N113 WeakPolarHBondContact OE2-CB 3.4Å; E109-N113 PolarHBondContact OE2-ND2 2.8Å; A110-N113 WeakPolarHBondContact O-CB 3.32Å; A110-N113 PolarHBondContact O-N 3.01Å; P111-N113 PolarHBondContact O-N 2.81Å; N113-K115 PolarHBondContact O-N 2.99Å; N113-N117 WeakPolarHBondContact OD1-CB 3.35Å; N113-M121 WeakPolarHBondContact ND2-CE 3.21Å
114P96.7Very high97.5Very high59 Ų5931.7 Ų31.738%0.38317%0.166SC..  trans-54.9138178.5-28.936.2000112.4A116 N117 R118P114-A116 PolarHBondContact O-N 2.79Å; P114-N117 HydrophobicContact CB-CB 4.37Å; P114-N117 WeakPolarHBondContact O-CA 3.32Å; P114-N117 WeakPolarHBondContact O-CB 3.48Å; P114-N117 PolarHBondContact O-N 2.87Å; P114-R118 PolarHBondContact O-N 3.03Å
115K96.9Very high97.5Very high143 Ų14331 Ų3162%0.62216%0.162SC*.Hα-helixtrans-54.5-40.7179.8-73.8-169.1176.1-174.60113.1N113 N117 R118 E119 H373N113-K115 PolarHBondContact O-N 2.99Å; K115-N117 PolarHBondContact O-N 3.32Å; K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.07Å; K115-R118 VanDerWaalsContact O-N 3.14Å; K115-E119 PolarHBondContact O-N 2.82Å; K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.39Å; K115-H373 PolarHBondContact O-CE1 3.23Å
116A97.9Very high97.5Very high66 Ų6631 Ų3155%0.54516%0.162SC..Hα-helixtrans-60.3-34.2176.200000112.5P114 K120P114-A116 PolarHBondContact O-N 2.79Å; A116-K120 WeakPolarHBondContact O-CB 3.47Å; A116-K120 PolarHBondContact O-N 3.49Å
117N98.1Very high97.5Very high22 Ų2235.8 Ų35.812%0.11818%0.184CC..Hα-helixtrans-70.2-39.9175.8-77.333.3000111.4I77 I78 W81 N113 P114 K115 E119 K120 M121I77-N117 WeakPolarHBondContact CG2-ND2 3.38Å; I78-N117 PolarHBondContact O-ND2 2.83Å; W81-N117 HydrophobicContact CH2-CB 4.14Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 3.46Å; W81-N117 HydrophobicContact CZ2-CB 3.87Å; N113-N117 WeakPolarHBondContact OD1-CB 3.35Å; P114-N117 HydrophobicContact CB-CB 4.37Å; P114-N117 WeakPolarHBondContact O-CA 3.32Å; P114-N117 WeakPolarHBondContact O-CB 3.48Å; P114-N117 PolarHBondContact O-N 2.87Å; K115-N117 PolarHBondContact O-N 3.32Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.76Å; N117-K120 PolarHBondContact O-N 3.15Å; N117-M121 WeakPolarHBondContact O-CG 3.28Å; N117-M121 PolarHBondContact O-N 3.14Å
118R98Very high97.5Very high25 Ų2539.1 Ų39.19%0.09420%0.204CC..Hα-helixtrans-58.9-48.5174.3-50.7-176.283.7-155.710.3110.7E109 P114 K115 K120 M121 T122 V372 C376E109-R118 IonicContact OE1-CZ 2.62Å; E109-R118 IonicContact OE1-NE 3.41Å; E109-R118 PolarHBondContact OE1-NE 3.25Å; E109-R118 IonicContact OE1-NH2 2.91Å; E109-R118 PolarHBondContact OE1-NH2 2.91Å; E109-R118 WeakPolarHBondContact OE2-CG 3.38Å; E109-R118 IonicContact OE2-NE 3.78Å; E109-R118 PolarHBondContact OE2-NE 3.23Å; P114-R118 PolarHBondContact O-N 3.03Å; K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.07Å; K115-R118 VanDerWaalsContact O-N 3.14Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.05Å; R118-M121 PolarHBondContact O-N 2.78Å; R118-T122 PolarHBondContact O-N 2.87Å; R118-T122 PolarHBondContact O-OG1 3.27Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; R118-V372 HydrophobicContact CB-CG1 3.74Å; R118-V372 HydrophobicContact CB-CG2 4.27Å; R118-C376 PolarHBondContact NH1-O 3.06Å; R118-C376 PolarHBondContact NH2-O 3.14Å
119E98.5Very high97.5Very high68 Ų6839.3 Ų39.332%0.31821%0.205SC..Hα-helixtrans-59.9-43.6176.5-71.7173.6-153.700111.9K115 N117 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 2.82Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.76Å; E119-T122 WeakPolarHBondContact O-CB 3.49Å; E119-T122 PolarHBondContact O-N 2.81Å; E119-Q123 WeakPolarHBondContact O-CB 3.35Å; E119-Q123 PolarHBondContact O-N 3.05Å; E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; E119-V372 HydrophobicContact CG-CG1 4.4Å; E119-H373 WeakPolarHBondContact CG-NE2 3.5Å; E119-H373 IonicContact OE1-CD2 2.72Å; E119-H373 PolarHBondContact OE1-CD2 3.25Å; E119-H373 IonicContact OE1-CE1 3.21Å; E119-H373 IonicContact OE1-NE2 3.88Å; E119-H373 PolarHBondContact OE1-NE2 2.92Å
120K98.5Very high97.6Very high66 Ų6643 Ų4329%0.28723%0.225SC..Hα-helixtrans-68.1-37.8-179.5-170.857.6175.6168.40112.7W81 A116 N117 R118 T122 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.23Å; W81-K120 HydrophobicContact CD2-CG 3.41Å; W81-K120 VanDerWaalsContact CD2-CG 3.41Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.33Å; W81-K120 HydrophobicContact CE3-CG 3.64Å; W81-K120 HydrophobicContact CG-CG 3.93Å; W81-K120 HydrophobicContact CH2-CB 3.76Å; W81-K120 HydrophobicContact CH2-CG 3.99Å; W81-K120 HydrophobicContact CZ2-CB 3.66Å; W81-K120 HydrophobicContact CZ2-CG 3.8Å; W81-K120 HydrophobicContact CZ3-CB 4.08Å; W81-K120 HydrophobicContact CZ3-CG 3.89Å; A116-K120 WeakPolarHBondContact O-CB 3.47Å; A116-K120 PolarHBondContact O-N 3.49Å; N117-K120 PolarHBondContact O-N 3.15Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.05Å; K120-T122 VanDerWaalsContact C-N 3.33Å; K120-Q123 PolarHBondContact O-N 3.2Å; K120-I124 HydrophobicContact CD-CD1 4.26Å; K120-I124 HydrophobicContact CD-CG1 4.44Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; K120-I124 WeakPolarHBondContact O-CD1 3.37Å; K120-I124 VanDerWaalsContact O-CG1 3.31Å; K120-I124 WeakPolarHBondContact O-CG1 3.45Å; K120-I124 PolarHBondContact O-N 3.3Å
121M97.9Very high97.7Very high3 Ų342.9 Ų42.92%0.01522%0.224CC..Hα-helixtrans-58.3-47.3169.7-70.2-170.9-68.800110.8I78 W81 W88 E109 N113 N117 R118 I124 M125 V136I78-M121 HydrophobicContact CD1-CG 4.05Å; I78-M121 HydrophobicContact CD1-SD 4Å; W81-M121 HydrophobicContact CH2-CG 3.67Å; W81-M121 HydrophobicContact CZ3-CB 4.49Å; W81-M121 HydrophobicContact CZ3-CG 3.68Å; W88-M121 HydrophobicContact CH2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-CG 4.46Å; E109-M121 HydrophobicContact CB-CE 4.36Å; N113-M121 WeakPolarHBondContact ND2-CE 3.21Å; N117-M121 WeakPolarHBondContact O-CG 3.28Å; N117-M121 PolarHBondContact O-N 3.14Å; R118-M121 PolarHBondContact O-N 2.78Å; M121-I124 PolarHBondContact O-N 2.9Å; M121-M125 VanDerWaalsContact O-CG 3.3Å; M121-M125 WeakPolarHBondContact O-CG 3.3Å; M121-M125 PolarHBondContact O-N 2.95Å; M121-V136 HydrophobicContact CE-CG1 3.9Å; M121-V136 HydrophobicContact CE-CG2 4.4Å
122T98.3Very high97.8Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-61-46.3179.6-610000112.2R118 E119 K120 I124 M125 F126 M134 Y364 I371R118-T122 PolarHBondContact O-N 2.87Å; R118-T122 PolarHBondContact O-OG1 3.27Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; E119-T122 WeakPolarHBondContact O-CB 3.49Å; E119-T122 PolarHBondContact O-N 2.81Å; K120-T122 VanDerWaalsContact C-N 3.33Å; T122-I124 PolarHBondContact O-N 3.2Å; T122-M125 PolarHBondContact O-N 2.83Å; T122-F126 HydrophobicContact CG2-CD2 3.8Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.45Å; T122-F126 PolarHBondContact O-N 2.85Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.92Å; T122-Y364 HydrophobicContact CG2-CD2 3.75Å; T122-Y364 HydrophobicContact CG2-CE2 3.95Å; T122-I371 HydrophobicContact CG2-CG2 4.36Å
123Q98.5Very high98Very high60 Ų6040.9 Ų40.928%0.2822%0.218SC..Hα-helixtrans-57.1-51.4176.9-171.8-171.1-1.500111.4E119 K120 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.35Å; E119-Q123 PolarHBondContact O-N 3.05Å; K120-Q123 PolarHBondContact O-N 3.2Å; Q123-M125 PolarHBondContact O-N 2.79Å; Q123-F126 PolarHBondContact O-N 3.36Å; Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.36Å; Q123-E127 PolarHBondContact NE2-OE2 3.1Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.48Å; Q123-E127 PolarHBondContact O-N 2.95Å; Q123-P369 HydrophobicContact CB-CG 4.13Å; Q123-P369 HydrophobicContact CG-CG 4.49Å
124I98.6Very high98.1Very high2 Ų240 Ų401%0.0121%0.213CC..Hα-helixtrans-62.1-43.9-176.7-71.2165.8000111.4W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CB-CD1 4.47Å; W81-I124 HydrophobicContact CD2-CD1 4.26Å; W81-I124 HydrophobicContact CE3-CD1 3.45Å; W81-I124 VanDerWaalsContact CE3-CD1 3.45Å; W81-I124 HydrophobicContact CZ3-CD1 4.07Å; E85-I124 HydrophobicContact CG-CD1 3.87Å; E85-I124 HydrophobicContact CG-CG1 4.25Å; E85-I124 HydrophobicContact CG-CG2 3.7Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.25Å; W88-I124 HydrophobicContact CE3-CG2 3.88Å; W88-I124 HydrophobicContact CZ3-CB 4.27Å; W88-I124 HydrophobicContact CZ3-CD1 4Å; W88-I124 HydrophobicContact CZ3-CG2 3.76Å; K120-I124 HydrophobicContact CD-CD1 4.26Å; K120-I124 HydrophobicContact CD-CG1 4.44Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; K120-I124 WeakPolarHBondContact O-CD1 3.37Å; K120-I124 VanDerWaalsContact O-CG1 3.31Å; K120-I124 WeakPolarHBondContact O-CG1 3.45Å; K120-I124 PolarHBondContact O-N 3.3Å; M121-I124 PolarHBondContact O-N 2.9Å; T122-I124 PolarHBondContact O-N 3.2Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.08Å; I124-T128 WeakPolarHBondContact O-CA 3.39Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 2.64Å; I124-F129 HydrophobicContact CG2-CD2 3.81Å; I124-F129 HydrophobicContact CG2-CE2 3.67Å; I124-F129 PolarHBondContact O-N 3.37Å; I124-F129 VanDerWaalsContact O-N 3.12Å
125M98.6Very high98.2Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-62.2-41.5-179-71.9-68149.300112W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.29Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 HydrophobicContact CE3-CE 3.52Å; W88-M125 HydrophobicContact CG-CE 3.68Å; W88-M125 HydrophobicContact CH2-CE 4.18Å; W88-M125 HydrophobicContact CZ2-CE 4Å; W88-M125 HydrophobicContact CZ3-CE 3.96Å; F92-M125 HydrophobicContact CE2-CE 4.42Å; F92-M125 HydrophobicContact CE2-SD 4.37Å; F92-M125 HydrophobicContact CZ-CE 4.35Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; T105-M125 HydrophobicContact CG2-SD 4.49Å; L107-M125 HydrophobicContact CD1-CE 4Å; L107-M125 HydrophobicContact CD1-CG 3.55Å; L107-M125 HydrophobicContact CD1-SD 3.8Å; L107-M125 HydrophobicContact CD2-CE 3.61Å; L107-M125 HydrophobicContact CD2-SD 4.38Å; L107-M125 HydrophobicContact CG-CE 4.41Å; M121-M125 VanDerWaalsContact O-CG 3.3Å; M121-M125 WeakPolarHBondContact O-CG 3.3Å; M121-M125 PolarHBondContact O-N 2.95Å; T122-M125 PolarHBondContact O-N 2.83Å; Q123-M125 PolarHBondContact O-N 2.79Å; M125-F129 HydrophobicContact CE-CD2 4.2Å; M125-F129 HydrophobicContact CE-CE2 4.44Å; M125-F129 CarbonylContact O-C 3.57Å; M125-F129 HydrophobicContact SD-CD2 4.2Å; M125-N130 PolarHBondContact O-N 3.02Å; M125-V131 HydrophobicContact CB-CG2 3.86Å; M125-V131 WeakPolarHBondContact O-CG2 3.39Å; M125-V131 PolarHBondContact O-N 3.38Å; M125-V131 HydrophobicContact SD-CG1 4.34Å; M125-M134 HydrophobicContact CB-CE 4.48Å; M125-M134 HydrophobicContact CB-SD 3.64Å; M125-M134 HydrophobicContact CG-CE 4.38Å; M125-M134 HydrophobicContact CG-SD 4.17Å
126F98.6Very high98.3Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-85-32.1-179.3-76.5-59.1000115.2T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.8Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.45Å; T122-F126 PolarHBondContact O-N 2.85Å; Q123-F126 PolarHBondContact O-N 3.36Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.08Å; F126-N130 PolarHBondContact O-OD1 3.1Å; F126-V131 HydrophobicContact CD1-CG2 4.01Å; F126-V131 VanDerWaalsContact CD1-O 3.23Å; F126-V131 WeakPolarHBondContact CD1-O 3.36Å; F126-V131 HydrophobicContact CE1-CG2 4.09Å; F126-V131 WeakPolarHBondContact CE1-O 3.34Å; F126-M134 HydrophobicContact CD2-CG 4.3Å; F126-M134 HydrophobicContact CD2-SD 3.97Å; F126-M134 HydrophobicContact CE1-CG 4.49Å; F126-M134 HydrophobicContact CE2-CG 3.5Å; F126-M134 VanDerWaalsContact CE2-CG 3.5Å; F126-M134 HydrophobicContact CE2-SD 3.69Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; F126-M134 HydrophobicContact CZ-SD 4.37Å; F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.37Å; F126-I359 HydrophobicContact CZ-CG2 3.89Å; F126-I359 WeakPolarHBondContact CZ-O 3.39Å; F126-K361 HydrophobicContact CB-CD 4.29Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.57Å; F126-K361 HydrophobicContact CE1-CB 4.07Å; F126-K361 HydrophobicContact CE1-CD 4.24Å; F126-K361 HydrophobicContact CG-CD 4.24Å; F126-K361 PolarHBondContact O-NZ 3.15Å; F126-Y364 HydrophobicContact CB-CD1 3.65Å; F126-Y364 HydrophobicContact CB-CD2 4.28Å; F126-Y364 HydrophobicContact CB-CE1 3.74Å; F126-Y364 HydrophobicContact CB-CE2 4.32Å; F126-Y364 HydrophobicContact CB-CG 3.94Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.98Å; F126-Y364 HydrophobicContact CD2-CD1 3.98Å; F126-Y364 AromaticContact CD2-CD2 3.34Å; F126-Y364 HydrophobicContact CD2-CD2 3.34Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.89Å; F126-Y364 HydrophobicContact CE2-CD2 3.89Å; F126-Y364 AromaticContact CE2-CG 3.83Å; F126-Y364 HydrophobicContact CE2-CG 3.83Å; F126-Y364 AromaticContact CG-CD1 3.87Å; F126-Y364 HydrophobicContact CG-CD1 3.87Å; F126-Y364 HydrophobicContact CG-CD2 4.08Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å
127E98.5Very high98.2Very high100 Ų10028.6 Ų28.647%0.46715%0.146SC..Hα-helixtrans-95.4-39.3-175.4-64.2-177.6-177.400112.6Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.36Å; Q123-E127 PolarHBondContact NE2-OE2 3.1Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.48Å; Q123-E127 PolarHBondContact O-N 2.95Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.13Å; E127-Y364 PolarHBondContact OE1-OH 3.31Å
128T98.4Very high98.2Very high70 Ų7028.3 Ų28.343%0.42915%0.145SC..THydrogen-bonded Turntrans-89.4-49.7180-54.30000111I124I124-T128 WeakPolarHBondContact O-CA 3.39Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 2.64Å
129F98.5Very high98.2Very high7 Ų727.9 Ų27.93%0.03114%0.144CC..SBendtrans-95-7.1-175.3-65.8-69.2000114.3W88 H89 F92 Y93 P100 I124 M125 V131W88-F129 HydrophobicContact CB-CE2 3.71Å; W88-F129 HydrophobicContact CB-CZ 3.64Å; W88-F129 HydrophobicContact CE3-CE2 4.09Å; H89-F129 HydrophobicContact CB-CE1 4.09Å; H89-F129 HydrophobicContact CB-CZ 4.23Å; F92-F129 AromaticContact CD2-CD1 3.73Å; F92-F129 HydrophobicContact CD2-CD1 3.73Å; F92-F129 AromaticContact CD2-CE1 3.85Å; F92-F129 HydrophobicContact CD2-CE1 3.85Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CD2-CZ 4.44Å; F92-F129 HydrophobicContact CE2-CB 4.43Å; F92-F129 AromaticContact CE2-CD1 3.88Å; F92-F129 HydrophobicContact CE2-CD1 3.88Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.14Å; F92-F129 HydrophobicContact CE2-CE2 4.39Å; F92-F129 AromaticContact CE2-CG 3.88Å; F92-F129 HydrophobicContact CE2-CG 3.88Å; F92-F129 HydrophobicContact CE2-CZ 4.39Å; Y93-F129 HydrophobicContact CE2-CE1 4.48Å; P100-F129 HydrophobicContact CB-CB 4.16Å; P100-F129 HydrophobicContact CG-CB 4.06Å; P100-F129 HydrophobicContact CG-CD1 3.94Å; P100-F129 HydrophobicContact CG-CG 4.45Å; I124-F129 HydrophobicContact CG2-CD2 3.81Å; I124-F129 HydrophobicContact CG2-CE2 3.67Å; I124-F129 PolarHBondContact O-N 3.37Å; I124-F129 VanDerWaalsContact O-N 3.12Å; M125-F129 HydrophobicContact CE-CD2 4.2Å; M125-F129 HydrophobicContact CE-CE2 4.44Å; M125-F129 CarbonylContact O-C 3.57Å; M125-F129 HydrophobicContact SD-CD2 4.2Å; F129-V131 HydrophobicContact CB-CG1 4.14Å; F129-V131 PolarHBondContact O-N 3.44Å; F129-V131 VanDerWaalsContact O-N 3.1Å
130N98.3Very high98.2Very high89 Ų8924.7 Ų24.748%0.47613%0.129SC..  trans50.234.2178.1-61.5-65.1000114.3E101 M125 F126E101-N130 WeakPolarHBondContact CA-O 3.5Å; E101-N130 HydrophobicContact CB-CB 4.2Å; M125-N130 PolarHBondContact O-N 3.02Å; F126-N130 PolarHBondContact O-OD1 3.1Å
131V98.5Very high98.2Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-59.2140.3179.2-56.40000110P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.17Å; M125-V131 HydrophobicContact CB-CG2 3.86Å; M125-V131 WeakPolarHBondContact O-CG2 3.39Å; M125-V131 PolarHBondContact O-N 3.38Å; M125-V131 HydrophobicContact SD-CG1 4.34Å; F126-V131 HydrophobicContact CD1-CG2 4.01Å; F126-V131 VanDerWaalsContact CD1-O 3.23Å; F126-V131 WeakPolarHBondContact CD1-O 3.36Å; F126-V131 HydrophobicContact CE1-CG2 4.09Å; F126-V131 WeakPolarHBondContact CE1-O 3.34Å; F129-V131 HydrophobicContact CB-CG1 4.14Å; F129-V131 PolarHBondContact O-N 3.44Å; F129-V131 VanDerWaalsContact O-N 3.1Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 2.9Å; V131-M134 HydrophobicContact CG2-CB 4.06Å
132P97.7Very high98.2Very high49 Ų4922.1 Ų22.132%0.31812%0.119SC..SBendtrans-69.6-29.9-177.927.1-34.4000111.9E101 H103 P104 K361E101-P132 WeakPolarHBondContact O-CD 3.46Å; H103-P132 WeakPolarHBondContact O-CD 3.43Å; P104-P132 HydrophobicContact CG-CG 4.35Å; P132-K361 PolarHBondContact O-N 2.77Å
133A98Very high98.2Very high10 Ų1022.1 Ų22.18%0.08312%0.119CC..EExtended strand (participates in β ladder)trans-155.4155.8177.500000110.9P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.37Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.33Å; P104-A133 HydrophobicContact CB-CB 4.08Å; P104-A133 HydrophobicContact CG-CB 4.42Å; T105-A133 PolarHBondContact N-O 3.44Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 2.9Å; A133-W358 HydrophobicContact CB-CB 4.06Å; A133-W358 HydrophobicContact CB-CD2 4.5Å; A133-W358 HydrophobicContact CB-CG 4.32Å; A133-I359 CarbonylContact C-O 3.58Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.36Å
134M98.1Very high98.1Very high0 Ų019.4 Ų19.40%011%0.106CC..EExtended strand (participates in β ladder)trans-148.6163.1174.168.8168.4-72.400113.6T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.3Å; T105-M134 VanDerWaalsContact O-CB 3.3Å; T105-M134 WeakPolarHBondContact O-CB 3.44Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.92Å; M125-M134 HydrophobicContact CB-CE 4.48Å; M125-M134 HydrophobicContact CB-SD 3.64Å; M125-M134 HydrophobicContact CG-CE 4.38Å; M125-M134 HydrophobicContact CG-SD 4.17Å; F126-M134 HydrophobicContact CD2-CG 4.3Å; F126-M134 HydrophobicContact CD2-SD 3.97Å; F126-M134 HydrophobicContact CE1-CG 4.49Å; F126-M134 HydrophobicContact CE2-CG 3.5Å; F126-M134 VanDerWaalsContact CE2-CG 3.5Å; F126-M134 HydrophobicContact CE2-SD 3.69Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; F126-M134 HydrophobicContact CZ-SD 4.37Å; V131-M134 HydrophobicContact CG2-CB 4.06Å; M134-V136 HydrophobicContact CE-CG2 3.54Å; M134-I359 HydrophobicContact CG-CB 4.49Å; M134-I359 PolarHBondContact N-O 2.89Å; M134-I359 WeakPolarHBondContact O-CB 3.32Å; M134-I359 PolarHBondContact O-N 2.98Å
135Y98.2Very high98Very high21 Ų2122.7 Ų22.78%0.08212%0.119CC..EExtended strand (participates in β ladder)trans-145.6146.5172.8-168.9-94.4000109.7T105 L106 L107 A137 F354 M357 K375 C376T105-Y135 PolarHBondContact O-N 2.82Å; T105-Y135 VanDerWaalsContact O-N 3.11Å; L106-Y135 CarbonylContact C-O 3.54Å; L106-Y135 WeakPolarHBondContact CA-O 3.26Å; L106-Y135 HydrophobicContact CD1-CD1 4.31Å; L107-Y135 PolarHBondContact N-O 3.4Å; Y135-A137 HydrophobicContact CD1-CB 4.01Å; Y135-A137 HydrophobicContact CE1-CB 3.86Å; Y135-F354 HydrophobicContact CD1-CE2 4.13Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.28Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.11Å; Y135-F354 HydrophobicContact CE1-CZ 4.08Å; Y135-F354 HydrophobicContact CE2-CE2 4.27Å; Y135-F354 HydrophobicContact CE2-CZ 4.34Å; Y135-F354 HydrophobicContact CG-CE1 4.46Å; Y135-F354 HydrophobicContact CG-CE2 4.22Å; Y135-F354 AromaticContact CG-CZ 3.52Å; Y135-F354 HydrophobicContact CG-CZ 3.52Å; Y135-M357 HydrophobicContact CD2-CB 4.4Å; Y135-M357 WeakPolarHBondContact CD2-O 3.48Å; Y135-M357 HydrophobicContact CE2-CB 4.14Å; Y135-M357 HydrophobicContact CE2-CE 4.43Å; Y135-K375 WeakPolarHBondContact CE2-O 3.25Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.47Å; Y135-C376 HydrophobicContact CE2-CB 4.27Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å
136V98Very high97.9Very high1 Ų123.8 Ų23.81%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-114.6124.4174-175.60000108.8L107 E109 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.53Å; L107-V136 WeakPolarHBondContact O-CA 3.26Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.34Å; M121-V136 HydrophobicContact CE-CG1 3.9Å; M121-V136 HydrophobicContact CE-CG2 4.4Å; M134-V136 HydrophobicContact CE-CG2 3.54Å; V136-V372 HydrophobicContact CB-CG2 4.31Å; V136-V372 HydrophobicContact CG2-CG2 4.04Å; V136-C376 HydrophobicContact CB-CB 4.42Å; V136-C376 PolarHBondContact N-SG 3.38Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 WeakPolarHBondContact O-CB 3.43Å
137A97.4Very high97.7Very high7 Ų724.9 Ų24.96%0.05814%0.136CC..EExtended strand (participates in β ladder)trans-123.9142.6-177.200000112.3L106 L107 T108 E109 Y135 Q139 L142L106-A137 HydrophobicContact CD2-CB 4.31Å; L107-A137 PolarHBondContact O-N 2.92Å; T108-A137 CarbonylContact C-O 3.58Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.37Å; E109-A137 PolarHBondContact N-O 3.29Å; Y135-A137 HydrophobicContact CD1-CB 4.01Å; Y135-A137 HydrophobicContact CE1-CB 3.86Å; A137-Q139 PolarHBondContact O-N 3.37Å; A137-L142 HydrophobicContact CB-CD1 3.87Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.87Å
138I97.5Very high97.5Very high17 Ų1723.6 Ų23.69%0.08715%0.15CC..EExtended strand (participates in β ladder)trans-68.9126.7176.1-61173000109.5E109 P111 A140 V141 L142 A172E109-I138 HydrophobicContact CG-CG1 4.45Å; E109-I138 WeakPolarHBondContact O-CA 3.35Å; P111-I138 HydrophobicContact CB-CG2 4.16Å; I138-A140 VanDerWaalsContact C-N 3.26Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 3.36Å; I138-V141 HydrophobicContact CB-CB 4.3Å; I138-V141 HydrophobicContact CB-CG2 3.92Å; I138-V141 HydrophobicContact CG2-CG2 4.22Å; I138-V141 PolarHBondContact O-N 2.75Å; I138-L142 PolarHBondContact O-N 3.13Å; I138-A172 HydrophobicContact CD1-CB 4.08Å
139Q98.2Very high97.4Very high15 Ų1523.2 Ų23.27%0.0714%0.14CC..Hα-helixtrans-51.4-43.3-177.8-71.4174.4-35.200113.2D13 N14 T108 E109 A137 L142 S143 V341D13-Q139 PolarHBondContact OD1-NE2 3.15Å; D13-Q139 VanDerWaalsContact OD1-NE2 3.15Å; N14-Q139 PolarHBondContact O-NE2 2.9Å; T108-Q139 PolarHBondContact OG1-NE2 3.49Å; E109-Q139 WeakPolarHBondContact O-CG 3.38Å; E109-Q139 PolarHBondContact O-N 2.87Å; A137-Q139 PolarHBondContact O-N 3.37Å; Q139-L142 PolarHBondContact O-N 3.4Å; Q139-S143 WeakPolarHBondContact O-CB 3.4Å; Q139-S143 PolarHBondContact O-N 2.91Å; Q139-S143 PolarHBondContact O-OG 2.9Å; Q139-V341 HydrophobicContact CB-CG1 3.93Å; Q139-V341 HydrophobicContact CB-CG2 3.92Å; Q139-V341 HydrophobicContact CG-CG1 3.82Å; Q139-V341 HydrophobicContact CG-CG2 4.44Å
140A98Very high97.3Very high1 Ų126.5 Ų26.51%0.00816%0.161CC..Hα-helixtrans-65.7-38.6178.400000113I138 S143 L144 V154 V165I138-A140 VanDerWaalsContact C-N 3.26Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 3.36Å; A140-S143 WeakPolarHBondContact O-CB 3.31Å; A140-S143 PolarHBondContact O-N 2.76Å; A140-L144 PolarHBondContact O-N 3.26Å; A140-V154 HydrophobicContact CB-CB 4Å; A140-V154 HydrophobicContact CB-CG1 4Å; A140-V154 WeakPolarHBondContact O-CG2 3.38Å; A140-V165 HydrophobicContact CB-CB 3.54Å; A140-V165 HydrophobicContact CB-CG1 3.96Å; A140-V165 HydrophobicContact CB-CG2 3.5Å; A140-V165 VanDerWaalsContact CB-CG2 3.5Å
141V97.6Very high97.3Very high16 Ų1623.2 Ų23.210%0.09715%0.145CC..Hα-helixtrans-64.2-44.8177.9176.40000110.3I138 S143 L144 Y145 I167 A172I138-V141 HydrophobicContact CB-CB 4.3Å; I138-V141 HydrophobicContact CB-CG2 3.92Å; I138-V141 HydrophobicContact CG2-CG2 4.22Å; I138-V141 PolarHBondContact O-N 2.75Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3Å; V141-L144 WeakPolarHBondContact O-CB 3.31Å; V141-L144 PolarHBondContact O-N 3.49Å; V141-Y145 HydrophobicContact CG1-CD2 4.13Å; V141-Y145 HydrophobicContact CG1-CE2 3.67Å; V141-Y145 WeakPolarHBondContact O-CD2 3.35Å; V141-Y145 PolarHBondContact O-N 2.93Å; V141-Y145 VanDerWaalsContact O-N 3.1Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4Å; V141-I167 HydrophobicContact CG2-CG1 4.15Å; V141-A172 HydrophobicContact CG2-CB 4.07Å
142L97.9Very high97.3Very high0 Ų023.2 Ų23.20%015%0.145CC..Hα-helixtrans-60.7-43.5174.1-60.5-177.5000111.8L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.05Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; A137-L142 HydrophobicContact CB-CD1 3.87Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.87Å; I138-L142 PolarHBondContact O-N 3.13Å; Q139-L142 PolarHBondContact O-N 3.4Å; L142-L144 VanDerWaalsContact C-N 3.25Å; L142-L144 PolarHBondContact O-N 2.91Å; L142-Y145 HydrophobicContact CD2-CD2 4.5Å; L142-Y145 WeakPolarHBondContact O-CB 3.19Å; L142-Y145 PolarHBondContact O-N 3.21Å; L142-Y145 VanDerWaalsContact O-N 3.08Å; L142-A146 PolarHBondContact O-N 3.29Å; L142-V341 WeakPolarHBondContact CB-O 3.37Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; L142-G344 VanDerWaalsContact O-CA 3.26Å; L142-G344 WeakPolarHBondContact O-CA 3.18Å; L142-L348 HydrophobicContact CD2-CB 4.31Å; L142-L348 HydrophobicContact CD2-CD2 3.6Å
143S98.2Very high97.4Very high0 Ų021 Ų210%013%0.13CC..Hα-helixtrans-60-36.4177.9-610000112.6Q139 A140 V141 S147 S302 V341Q139-S143 WeakPolarHBondContact O-CB 3.4Å; Q139-S143 PolarHBondContact O-N 2.91Å; Q139-S143 PolarHBondContact O-OG 2.9Å; A140-S143 WeakPolarHBondContact O-CB 3.31Å; A140-S143 PolarHBondContact O-N 2.76Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3Å; S143-S147 PolarHBondContact O-N 3.39Å; S143-S302 WeakPolarHBondContact CB-OG 3.48Å; S143-S302 WeakPolarHBondContact OG-CB 3.34Å; S143-S302 PolarHBondContact OG-OG 3.4Å; S143-V341 WeakPolarHBondContact OG-CG2 3.45Å
144L97.8Very high97.4Very high2 Ų220.5 Ų20.51%0.0113%0.126CC..Hα-helixtrans-66.5-43.6174.3-169.766.3000111.3A140 V141 L142 A146 S147 R149 V154 I167 V300A140-L144 PolarHBondContact O-N 3.26Å; V141-L144 WeakPolarHBondContact O-CB 3.31Å; V141-L144 PolarHBondContact O-N 3.49Å; L142-L144 VanDerWaalsContact C-N 3.25Å; L142-L144 PolarHBondContact O-N 2.91Å; L144-A146 VanDerWaalsContact C-N 3.35Å; L144-A146 PolarHBondContact O-N 3.32Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.17Å; L144-S147 PolarHBondContact O-OG 3.07Å; L144-R149 CarbonylContact C-O 3.56Å; L144-R149 HydrophobicContact CD1-CB 3.73Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 PolarHBondContact O-N 2.75Å; L144-V154 HydrophobicContact CB-CG2 3.86Å; L144-V154 HydrophobicContact CD1-CG2 4.12Å; L144-I167 HydrophobicContact CB-CD1 3.95Å; L144-I167 HydrophobicContact CD2-CB 3.67Å; L144-I167 HydrophobicContact CD2-CD1 3.78Å; L144-I167 HydrophobicContact CD2-CG1 4.35Å; L144-I167 HydrophobicContact CD2-CG2 3.6Å; L144-I167 HydrophobicContact CG-CD1 4.46Å; L144-V300 HydrophobicContact CD1-CB 4.4Å; L144-V300 HydrophobicContact CD1-CG2 3.75Å
145Y95Very high97.4Very high71 Ų7120.8 Ų20.828%0.27813%0.127SC..Hα-helixtrans-60.7-40.3175.5-74-43.4000112.9V141 L142 S147 G148 T150 L348V141-Y145 HydrophobicContact CG1-CD2 4.13Å; V141-Y145 HydrophobicContact CG1-CE2 3.67Å; V141-Y145 WeakPolarHBondContact O-CD2 3.35Å; V141-Y145 PolarHBondContact O-N 2.93Å; V141-Y145 VanDerWaalsContact O-N 3.1Å; L142-Y145 HydrophobicContact CD2-CD2 4.5Å; L142-Y145 WeakPolarHBondContact O-CB 3.19Å; L142-Y145 PolarHBondContact O-N 3.21Å; L142-Y145 VanDerWaalsContact O-N 3.08Å; Y145-S147 PolarHBondContact O-N 3.22Å; Y145-S147 VanDerWaalsContact O-N 3.11Å; Y145-G148 WeakPolarHBondContact O-CA 3.44Å; Y145-G148 PolarHBondContact O-N 2.92Å; Y145-T150 HydrophobicContact CE1-CG2 4.12Å; Y145-L348 HydrophobicContact CE2-CD1 4.23Å; Y145-L348 HydrophobicContact CE2-CD2 4.48Å
146A96.7Very high97.5Very high24 Ų2420.2 Ų20.220%0.19813%0.126CC..Hα-helixtrans-58-26174.600000112.8L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 3.29Å; L144-A146 VanDerWaalsContact C-N 3.35Å; L144-A146 PolarHBondContact O-N 3.32Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-S340 VanDerWaalsContact CB-O 3.26Å; A146-S340 WeakPolarHBondContact CB-O 3.35Å; A146-I343 HydrophobicContact CB-CB 4.15Å; A146-I343 HydrophobicContact CB-CG2 3.91Å
147S95.6Very high97.5Very high23 Ų2320.3 Ų20.316%0.16113%0.127CC..THydrogen-bonded Turntrans-85.5-1.4175.486.50000114S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 3.39Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.17Å; L144-S147 PolarHBondContact O-OG 3.07Å; Y145-S147 PolarHBondContact O-N 3.22Å; Y145-S147 VanDerWaalsContact O-N 3.11Å; S147-R149 PolarHBondContact O-NH1 2.89Å; S147-R149 PolarHBondContact OG-NH1 2.93Å; S147-R149 VanDerWaalsContact OG-NH1 3.14Å
148G95Very high97.5Very high73 Ų7321 Ų2175%0.75313%0.134SC*.THydrogen-bonded Turntrans74.333.3-175.500000113.7Y145 A146Y145-G148 WeakPolarHBondContact O-CA 3.44Å; Y145-G148 PolarHBondContact O-N 2.92Å; A146-G148 VanDerWaalsContact C-N 3.32Å
149R96.3Very high97.5Very high61 Ų6121.9 Ų21.923%0.2314%0.139CC..  trans-128.7152.8-176.7-68.2175.1-179.666.217.3111.8L144 S147 N298 I332L144-R149 CarbonylContact C-O 3.56Å; L144-R149 HydrophobicContact CD1-CB 3.73Å; L144-R149 HydrophobicContact CG-CB 3.88Å; L144-R149 PolarHBondContact O-N 2.75Å; S147-R149 PolarHBondContact O-NH1 2.89Å; S147-R149 PolarHBondContact OG-NH1 2.93Å; S147-R149 VanDerWaalsContact OG-NH1 3.14Å; R149-N298 WeakPolarHBondContact CD-OD1 3.27Å; R149-N298 PolarHBondContact NE-OD1 2.87Å; R149-I332 VanDerWaalsContact CZ-CD1 3.47Å; R149-I332 VanDerWaalsContact NE-CD1 3.31Å
150T95.7Very high97.5Very high76 Ų7621.4 Ų21.447%0.46614%0.138SC..SBendtrans-114.7-18.5172.753.50000112.4Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.12Å; T150-E169 PolarHBondContact O-N 2.85Å; T150-E169 VanDerWaalsContact O-N 3.13Å; T150-G170 PolarHBondContact O-N 3.36Å
151T98.2Very high97.5Very high21 Ų2121.7 Ų21.713%0.12914%0.14CC..SBendtrans-127.4133.7177.9-620000110.1I167 Y168 E169 D294 L295T151-I167 WeakPolarHBondContact CA-O 3.45Å; T151-Y168 HydrophobicContact CG2-CD2 3.72Å; T151-Y168 HydrophobicContact CG2-CE2 4.36Å; T151-E169 PolarHBondContact OG1-N 3.16Å; T151-D294 HydrophobicContact CG2-CB 3.85Å; T151-L295 HydrophobicContact CG2-CD2 4.5Å
152G98.6Very high97.5Very high0 Ų021 Ų210%014%0.136CC..EExtended strand (participates in β ladder)trans161.5179.1-17900000111.5I167 L295 N298G152-I167 PolarHBondContact N-O 3.23Å; G152-I167 PolarHBondContact O-N 3.49Å; G152-I167 VanDerWaalsContact O-O 3.04Å; G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.31Å; G152-L295 WeakPolarHBondContact O-CD2 3.42Å; G152-N298 WeakPolarHBondContact CA-O 3.49Å
153I98.8Very high97.5Very high1 Ų121.1 Ų21.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-114136.6170.5-173.2164.6000109N164 V165 P166 T280 S283 I284 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.31Å; I153-V165 WeakPolarHBondContact CA-O 3.26Å; I153-P166 HydrophobicContact CD1-CB 4.37Å; I153-P166 HydrophobicContact CG1-CB 4.39Å; I153-T280 HydrophobicContact CD1-CG2 3.89Å; I153-T280 HydrophobicContact CG1-CG2 4.46Å; I153-T280 HydrophobicContact CG2-CG2 4.16Å; I153-S283 WeakPolarHBondContact CD1-OG 3.21Å; I153-I284 HydrophobicContact CD1-CD1 4.39Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.12Å; I153-I284 HydrophobicContact CG2-CG1 4.37Å; I153-N298 PolarHBondContact N-O 3.47Å; I153-N299 HydrophobicContact CG2-CB 4.15Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.22Å; I153-N299 CarbonylContact O-C 3.29Å; I153-N299 WeakPolarHBondContact O-CA 3.46Å; I153-V300 PolarHBondContact O-N 2.82Å
154V98.8Very high97.6Very high0 Ų021.2 Ų21.20%014%0.137CC..EExtended strand (participates in β ladder)trans-109.4122.2179178.80000109.3A140 L144 D156 N164 V165 I167 V300A140-V154 HydrophobicContact CB-CB 4Å; A140-V154 HydrophobicContact CB-CG1 4Å; A140-V154 WeakPolarHBondContact O-CG2 3.38Å; L144-V154 HydrophobicContact CB-CG2 3.86Å; L144-V154 HydrophobicContact CD1-CG2 4.12Å; V154-D156 HydrophobicContact CG1-CB 4.19Å; V154-N164 CarbonylContact O-C 3.54Å; V154-N164 VanDerWaalsContact O-CA 3.31Å; V154-N164 WeakPolarHBondContact O-CA 3.44Å; V154-V165 PolarHBondContact N-O 3.25Å; V154-V165 PolarHBondContact O-N 2.86Å; V154-I167 HydrophobicContact CG2-CD1 3.86Å; V154-V300 CarbonylContact C-O 3.54Å; V154-V300 VanDerWaalsContact CA-O 3.28Å; V154-V300 WeakPolarHBondContact CA-O 3.22Å; V154-V300 HydrophobicContact CG2-CB 4.2Å
155L98.8Very high97.6Very high7 Ų721.1 Ų21.14%0.03714%0.136CC..EExtended strand (participates in β ladder)trans-89.397.5162.1173.563.1000107.4T162 H163 I276 V300 M301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.56Å; L155-H163 WeakPolarHBondContact CA-O 3.43Å; L155-I276 HydrophobicContact CD1-CB 4.21Å; L155-I276 HydrophobicContact CD1-CG2 4.33Å; L155-I276 HydrophobicContact CD2-CB 4.35Å; L155-I276 HydrophobicContact CD2-CD1 3.98Å; L155-V300 PolarHBondContact N-O 3.31Å; L155-M301 HydrophobicContact CD2-CE 3.99Å; L155-S302 PolarHBondContact O-N 3.43Å; L155-M315 HydrophobicContact CD2-CE 3.78Å; L155-M315 HydrophobicContact CD2-SD 4.23Å
156D98.6Very high97.8Very high9 Ų917.7 Ų17.75%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-97.1118.4174-165.8-46.9000108.9V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.19Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.29Å; D156-T162 WeakPolarHBondContact O-CA 3.43Å; D156-H163 PolarHBondContact N-O 3.31Å; D156-H163 PolarHBondContact O-N 3Å; D156-S302 WeakPolarHBondContact CA-O 3.47Å
157S98.7Very high97.9Very high3 Ų316.6 Ų16.62%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-130.5106.4177.5-169.40000110.9T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.28Å; S157-T162 PolarHBondContact OG-OG1 3.01Å; S157-S302 PolarHBondContact N-O 2.95Å; S157-G303 CarbonylContact O-C 3.34Å; S157-G303 WeakPolarHBondContact O-CA 3.3Å; S157-G304 PolarHBondContact O-N 3.46Å; S157-T305 WeakPolarHBondContact O-CB 3.1Å; S157-T305 PolarHBondContact O-N 2.88Å; S157-T305 VanDerWaalsContact OG-CB 3.24Å; S157-T305 WeakPolarHBondContact OG-CB 3.31Å; S157-T305 VanDerWaalsContact OG-CG2 3.24Å; S157-T305 WeakPolarHBondContact OG-CG2 3.34Å
158G97.9Very high98Very high21 Ų2119.6 Ų19.622%0.21612%0.122CC..  trans-94.7-151.8-177.800000113.3V161 A183 G184 T305G158-V161 PolarHBondContact N-O 3.49Å; G158-V161 VanDerWaalsContact N-O 3.07Å; G158-A183 WeakPolarHBondContact O-CB 3.36Å; G158-G184 PolarHBondContact O-N 2.9Å; G158-G184 VanDerWaalsContact O-N 3.13Å; G158-T305 PolarHBondContact O-OG1 3.18Å
159D97.6Very high98Very high35 Ų3522 Ų2219%0.18711%0.113CC..SBendtrans-80.7-36.5172.3-175.561.2000112.1G184 R185D159-G184 PolarHBondContact O-N 3.19Å; D159-G184 VanDerWaalsContact O-N 3.16Å; D159-R185 VanDerWaalsContact O-CB 3.28Å; D159-R185 WeakPolarHBondContact O-CB 3.4Å; D159-R185 PolarHBondContact O-N 2.9Å; D159-R185 PolarHBondContact OD1-N 3.23Å; D159-R185 IonicContact OD2-CZ 3.27Å; D159-R185 IonicContact OD2-NE 3.85Å; D159-R185 PolarHBondContact OD2-NE 2.91Å; D159-R185 IonicContact OD2-NH2 2.91Å; D159-R185 PolarHBondContact OD2-NH2 2.87Å
160G97.2Very high97.9Very high5 Ų519.7 Ų19.75%0.05211%0.108CC..SBendtrans-103.4-22.4-171.700000115.4H75H75-G160 WeakPolarHBondContact CA-O 3.35Å; H75-G160 PolarHBondContact CD2-O 2.83Å
161V98Very high97.8Very high8 Ų823.5 Ų23.55%0.04812%0.116CC..  trans-160153.3-171.959.90000111.2H75 G158 H163 R179 L180H75-V161 HydrophobicContact CB-CB 4.29Å; G158-V161 PolarHBondContact N-O 3.49Å; G158-V161 VanDerWaalsContact N-O 3.07Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.32Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.33Å; V161-R179 HydrophobicContact CG2-CG 3.96Å; V161-L180 WeakPolarHBondContact CG2-O 3.47Å
162T98.6Very high97.8Very high1 Ų123.2 Ų23.21%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-117.2135.9172.7-59.40000110.7L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.56Å; D156-T162 CarbonylContact O-C 3.59Å; D156-T162 VanDerWaalsContact O-CA 3.29Å; D156-T162 WeakPolarHBondContact O-CA 3.43Å; S157-T162 WeakPolarHBondContact CB-OG1 3.28Å; S157-T162 PolarHBondContact OG-OG1 3.01Å; T162-L180 PolarHBondContact N-O 2.83Å; T162-L180 PolarHBondContact O-N 2.88Å; T162-L182 WeakPolarHBondContact CB-O 3.49Å; T162-L182 PolarHBondContact OG1-O 3.38Å; T162-I276 HydrophobicContact CG2-CG2 3.92Å
163H98.3Very high97.8Very high2 Ų224.7 Ų24.71%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-129.8141.5177.6-58.7103.7000111.6P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 3.88Å; P111-H163 WeakPolarHBondContact CG-CD2 3.41Å; P111-H163 VanDerWaalsContact CG-CG 3.46Å; L155-H163 WeakPolarHBondContact CA-O 3.43Å; D156-H163 PolarHBondContact N-O 3.31Å; D156-H163 PolarHBondContact O-N 3Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.32Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.33Å; H163-V165 HydrophobicContact CB-CG2 3.92Å; H163-M178 CarbonylContact C-O 3.59Å; H163-M178 WeakPolarHBondContact CA-O 3.31Å
164N98.6Very high97.7Very high2 Ų228.9 Ų28.91%0.01115%0.15CC..EExtended strand (participates in β ladder)trans-107.5115.5160.1-72.7-78.5000108.4I153 V154 I177 M178 T279 T280I153-N164 HydrophobicContact CD1-CB 4.31Å; V154-N164 CarbonylContact O-C 3.54Å; V154-N164 VanDerWaalsContact O-CA 3.31Å; V154-N164 WeakPolarHBondContact O-CA 3.44Å; N164-I177 WeakPolarHBondContact O-CA 3.5Å; N164-M178 HydrophobicContact CB-CB 4.21Å; N164-M178 PolarHBondContact N-O 3.08Å; N164-M178 PolarHBondContact O-N 3.02Å; N164-T279 PolarHBondContact ND2-OG1 2.93Å; N164-T280 PolarHBondContact ND2-N 2.89Å; N164-T280 WeakPolarHBondContact OD1-CA 3.38Å; N164-T280 WeakPolarHBondContact OD1-CB 3.21Å; N164-T280 PolarHBondContact OD1-OG1 2.8Å
165V98.7Very high97.6Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-120.3105.7-175.3-172.40000109.1P111 A140 I153 V154 H163 I167 A172 I177P111-V165 HydrophobicContact CB-CG2 4.12Å; P111-V165 HydrophobicContact CG-CG2 3.78Å; A140-V165 HydrophobicContact CB-CB 3.54Å; A140-V165 HydrophobicContact CB-CG1 3.96Å; A140-V165 HydrophobicContact CB-CG2 3.5Å; A140-V165 VanDerWaalsContact CB-CG2 3.5Å; I153-V165 WeakPolarHBondContact CA-O 3.26Å; V154-V165 PolarHBondContact N-O 3.25Å; V154-V165 PolarHBondContact O-N 2.86Å; H163-V165 HydrophobicContact CB-CG2 3.92Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 4.01Å; V165-A172 HydrophobicContact CG1-CB 3.84Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å
166P98.8Very high97.5Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-78.1133.1172.428.9-25.8000109.1I153 L173 A176 S283 C287 L295I153-P166 HydrophobicContact CD1-CB 4.37Å; I153-P166 HydrophobicContact CG1-CB 4.39Å; P166-L173 HydrophobicContact CB-CD1 4.3Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 2.89Å; P166-A176 HydrophobicContact CG-CB 3.53Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.27Å; P166-S283 WeakPolarHBondContact CG-OG 3.41Å; P166-C287 VanDerWaalsContact CB-SG 3.58Å; P166-L295 HydrophobicContact CB-CD1 4.08Å; P166-L295 HydrophobicContact CB-CD2 4.34Å
167I98.6Very high97.5Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-130.5133.6-174-59.8155.4000107.7V141 L144 T151 G152 V154 V165 Y171 A172V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4Å; V141-I167 HydrophobicContact CG2-CG1 4.15Å; L144-I167 HydrophobicContact CB-CD1 3.95Å; L144-I167 HydrophobicContact CD2-CB 3.67Å; L144-I167 HydrophobicContact CD2-CD1 3.78Å; L144-I167 HydrophobicContact CD2-CG1 4.35Å; L144-I167 HydrophobicContact CD2-CG2 3.6Å; L144-I167 HydrophobicContact CG-CD1 4.46Å; T151-I167 WeakPolarHBondContact CA-O 3.45Å; G152-I167 PolarHBondContact N-O 3.23Å; G152-I167 PolarHBondContact O-N 3.49Å; G152-I167 VanDerWaalsContact O-O 3.04Å; V154-I167 HydrophobicContact CG2-CD1 3.86Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 4.01Å; I167-Y171 CarbonylContact C-O 3.59Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.26Å; I167-A172 HydrophobicContact CG1-CB 4.38Å
168Y97.9Very high97.5Very high86 Ų8636 Ų3634%0.33718%0.183SC..EExtended strand (participates in β ladder)trans-129.5123.6177.3-177.3-103.4000109.4T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.72Å; T151-Y168 HydrophobicContact CG2-CE2 4.36Å; Y168-G170 PolarHBondContact O-N 3.21Å; Y168-G170 VanDerWaalsContact O-N 3.12Å; Y168-Y171 PolarHBondContact N-O 3.1Å; Y168-Y171 PolarHBondContact O-N 2.71Å; Y168-I291 HydrophobicContact CD2-CB 4.1Å; Y168-I291 HydrophobicContact CD2-CD1 4.45Å; Y168-I291 HydrophobicContact CD2-CG2 3.6Å; Y168-I291 HydrophobicContact CE2-CB 4.29Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CG2 4.3Å
169E95.7Very high97.5Very high124 Ų12439.5 Ų39.558%0.57919%0.19SC*.THydrogen-bonded Turntrans50.736.5-179.6-61-169.3152.900114.1T150 T151 Y171T150-E169 PolarHBondContact O-N 2.85Å; T150-E169 VanDerWaalsContact O-N 3.13Å; T151-E169 PolarHBondContact OG1-N 3.16Å; E169-Y171 WeakPolarHBondContact O-CD2 3.36Å
170G93.6Very high97.4Very high12 Ų1238.3 Ų38.312%0.12418%0.183CC..THydrogen-bonded Turntrans89.4-8.5-179.500000114.9T150 Y168T150-G170 PolarHBondContact O-N 3.36Å; Y168-G170 PolarHBondContact O-N 3.21Å; Y168-G170 VanDerWaalsContact O-N 3.12Å
171Y94.9Very high97.3Very high157 Ų15741.1 Ų41.162%0.61620%0.197SC*.EExtended strand (participates in β ladder)trans-100.6123.3-179.4-60.8-85.3000111.3I167 Y168 E169I167-Y171 CarbonylContact C-O 3.59Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.26Å; Y168-Y171 PolarHBondContact N-O 3.1Å; Y168-Y171 PolarHBondContact O-N 2.71Å; E169-Y171 WeakPolarHBondContact O-CD2 3.36Å
172A97.4Very high97.4Very high14 Ų1440.8 Ų40.812%0.11620%0.195CC..EExtended strand (participates in β ladder)trans-65.1142.9169.500000110.1I138 V141 V165 I167 P174I138-A172 HydrophobicContact CD1-CB 4.08Å; V141-A172 HydrophobicContact CG2-CB 4.07Å; V165-A172 HydrophobicContact CG1-CB 3.84Å; I167-A172 HydrophobicContact CG1-CB 4.38Å; A172-P174 VanDerWaalsContact O-CD 3.22Å; A172-P174 WeakPolarHBondContact O-CD 3.29Å
173L97.7Very high97.3Very high32 Ų3240.7 Ų40.717%0.16820%0.195CC..  trans-99.395.5179.6-54.2176.1000110.1P166 H175 A176 I177 C287 I291P166-L173 HydrophobicContact CB-CD1 4.3Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 2.89Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.36Å; L173-A176 HydrophobicContact CB-CB 4.46Å; L173-A176 PolarHBondContact O-N 3.31Å; L173-I177 PolarHBondContact O-N 3.02Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å
174P96.6Very high97.3Very high88 Ų8840.7 Ų40.757%0.57120%0.195SC*.G310 helixtrans-64.4-32.6-163.6-23.937.1000113.9A172 A176 I177A172-P174 VanDerWaalsContact O-CD 3.22Å; A172-P174 WeakPolarHBondContact O-CD 3.29Å; P174-A176 PolarHBondContact O-N 2.82Å; P174-I177 PolarHBondContact O-N 3.41Å
175H97.2Very high97.3Very high116 Ų11643.2 Ų43.254%0.53720%0.204SC..G310 helixtrans-66.5-19.9179.365.8-86.3000113.5L173L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.36Å
176A98.3Very high97.2Very high0 Ų045.3 Ų45.30%022%0.215CC..G310 helixtrans-1104-176.500000113.1P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.53Å; L173-A176 HydrophobicContact CB-CB 4.46Å; L173-A176 PolarHBondContact O-N 3.31Å; P174-A176 PolarHBondContact O-N 2.82Å; A176-M178 PolarHBondContact O-N 3.12Å; A176-S283 WeakPolarHBondContact O-CB 3.16Å; A176-S283 PolarHBondContact O-OG 2.91Å; A176-K286 HydrophobicContact CB-CB 3.69Å; A176-C287 VanDerWaalsContact CB-SG 3.58Å
177I98.5Very high97.2Very high17 Ų1745.3 Ų45.39%0.08722%0.215CC..  trans-69.2131.2174.7-61.3179.9000109.5P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 3.8Å; P111-I177 HydrophobicContact CB-CG2 4.15Å; P111-I177 HydrophobicContact CG-CG2 4.25Å; L112-I177 HydrophobicContact CD1-CB 4.41Å; L112-I177 HydrophobicContact CD1-CG2 4.05Å; L112-I177 HydrophobicContact CD2-CD1 4.24Å; L112-I177 HydrophobicContact CG-CD1 4.45Å; L112-I177 HydrophobicContact CG-CG2 4.27Å; N164-I177 WeakPolarHBondContact O-CA 3.5Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å; L173-I177 PolarHBondContact O-N 3.02Å; P174-I177 PolarHBondContact O-N 3.41Å
178M98.1Very high97.2Very high37 Ų3745.4 Ų45.418%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-110.9128.5171.3-56.5-67-68.400108.7H163 N164 A176 T279 N282 K286H163-M178 CarbonylContact C-O 3.59Å; H163-M178 WeakPolarHBondContact CA-O 3.31Å; N164-M178 HydrophobicContact CB-CB 4.21Å; N164-M178 PolarHBondContact N-O 3.08Å; N164-M178 PolarHBondContact O-N 3.02Å; A176-M178 PolarHBondContact O-N 3.12Å; M178-T279 HydrophobicContact CE-CG2 4.31Å; M178-T279 WeakPolarHBondContact CG-O 3.42Å; M178-N282 HydrophobicContact CE-CB 4.33Å; M178-K286 HydrophobicContact SD-CD 4.2Å; M178-K286 PolarHBondContact SD-NZ 2.79Å
179R96.6Very high97.2Very high94 Ų9444.6 Ų44.636%0.35522%0.218SC..EExtended strand (participates in β ladder)trans-113.9138.2177.2174.8173.2164.6175.7-5.3109.4V161 D181V161-R179 HydrophobicContact CG2-CG 3.96Å; R179-D181 IonicContact CZ-OD1 3.21Å; R179-D181 VanDerWaalsContact CZ-OD1 3.27Å; R179-D181 IonicContact CZ-OD2 2.99Å; R179-D181 IonicContact NE-OD1 3.23Å; R179-D181 PolarHBondContact NE-OD1 3.29Å; R179-D181 IonicContact NE-OD2 2.67Å; R179-D181 IonicContact NH2-OD1 2.8Å; R179-D181 PolarHBondContact NH2-OD1 3.42Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 3Å; R179-D181 VanDerWaalsContact NH2-OD2 3.13Å
180L96.5Very high97.3Very high9 Ų939.6 Ų39.65%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-133.5115176.1-17271.6000108.5V161 T162 L182 M271 I276V161-L180 WeakPolarHBondContact CG2-O 3.47Å; T162-L180 PolarHBondContact N-O 2.83Å; T162-L180 PolarHBondContact O-N 2.88Å; L180-L182 HydrophobicContact CD2-CB 4.01Å; L180-L182 HydrophobicContact CD2-CD2 4.18Å; L180-L182 HydrophobicContact CD2-CG 4.45Å; L180-L182 HydrophobicContact CG-CB 3.93Å; L180-L182 PolarHBondContact O-N 3.15Å; L180-M271 HydrophobicContact CD1-CE 3.52Å; L180-M271 HydrophobicContact CD1-SD 4.27Å; L180-M271 HydrophobicContact CD2-CE 4.32Å; L180-M271 HydrophobicContact CG-CE 3.97Å; L180-I276 HydrophobicContact CD2-CG2 4.3Å
181D96Very high97.6Very high65 Ų6539 Ų3935%0.34819%0.188SC..SBendtrans-79.155.6175.1-70.4-8.8000109.9R179R179-D181 IonicContact CZ-OD1 3.21Å; R179-D181 VanDerWaalsContact CZ-OD1 3.27Å; R179-D181 IonicContact CZ-OD2 2.99Å; R179-D181 IonicContact NE-OD1 3.23Å; R179-D181 PolarHBondContact NE-OD1 3.29Å; R179-D181 IonicContact NE-OD2 2.67Å; R179-D181 IonicContact NH2-OD1 2.8Å; R179-D181 PolarHBondContact NH2-OD1 3.42Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 3Å; R179-D181 VanDerWaalsContact NH2-OD2 3.13Å
182L98Very high97.7Very high0 Ų032.9 Ų32.90%017%0.165CC..  trans-140.7118.2172.8163.960.8000107.9T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.49Å; T162-L182 PolarHBondContact OG1-O 3.38Å; L180-L182 HydrophobicContact CD2-CB 4.01Å; L180-L182 HydrophobicContact CD2-CD2 4.18Å; L180-L182 HydrophobicContact CD2-CG 4.45Å; L180-L182 HydrophobicContact CG-CB 3.93Å; L180-L182 PolarHBondContact O-N 3.15Å; L182-D186 WeakPolarHBondContact CA-OD2 3.43Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; L182-L187 HydrophobicContact CD1-CD2 4.21Å; L182-T262 VanDerWaalsContact CD2-O 3.24Å; L182-T262 WeakPolarHBondContact CD2-O 3.33Å; L182-L263 HydrophobicContact CG-CD2 4.28Å; L182-P266 HydrophobicContact CD2-CB 4.27Å; L182-P266 HydrophobicContact CD2-CG 4.12Å; L182-I269 HydrophobicContact CD1-CD1 3.56Å; L182-I269 HydrophobicContact CD2-CD1 4.19Å; L182-I269 HydrophobicContact CG-CD1 4.39Å; L182-M271 HydrophobicContact CB-CE 3.4Å; L182-M271 VanDerWaalsContact CB-CE 3.4Å; L182-M271 HydrophobicContact CB-SD 4.36Å; L182-M271 HydrophobicContact CD2-CE 3.54Å; L182-M271 HydrophobicContact CG-CE 4.06Å
183A98.4Very high97.8Very high0 Ų037.9 Ų37.90%018%0.184CC..SBendtrans-157.5-157.4179.300000111.7G158 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.36Å; A183-R185 PolarHBondContact O-N 3.24Å; A183-R185 VanDerWaalsContact O-N 3.09Å; A183-D186 PolarHBondContact N-OD2 3.17Å; A183-D186 PolarHBondContact O-N 2.96Å; A183-D186 VanDerWaalsContact O-N 3.16Å; A183-L187 WeakPolarHBondContact O-CG 3.5Å; A183-L187 PolarHBondContact O-N 3Å; A183-L187 VanDerWaalsContact O-N 3.07Å
184G98.4Very high97.8Very high1 Ų136.3 Ų36.31%0.0118%0.176CC..Hα-helixtrans-49.9-40.1-171.200000114.7G158 D159 L187 T188 K215 T305G158-G184 PolarHBondContact O-N 2.9Å; G158-G184 VanDerWaalsContact O-N 3.13Å; D159-G184 PolarHBondContact O-N 3.19Å; D159-G184 VanDerWaalsContact O-N 3.16Å; G184-L187 PolarHBondContact O-N 3.44Å; G184-T188 PolarHBondContact O-N 2.92Å; G184-T188 PolarHBondContact O-OG1 3.44Å; G184-K215 PolarHBondContact O-NZ 3.18Å; G184-T305 WeakPolarHBondContact CA-OG1 3.39Å; G184-T305 PolarHBondContact N-OG1 3.41Å
185R97.2Very high97.9Very high55 Ų5532.1 Ų32.121%0.20815%0.149CC..Hα-helixtrans-64-49.8-178.3-170.4169.8-63.9-139.7-2.5111.7Y71 D159 A183 L187 T188 D189 R208Y71-R185 VanDerWaalsContact CD2-NH1 3.3Å; Y71-R185 VanDerWaalsContact CG-NH1 3.28Å; D159-R185 VanDerWaalsContact O-CB 3.28Å; D159-R185 WeakPolarHBondContact O-CB 3.4Å; D159-R185 PolarHBondContact O-N 2.9Å; D159-R185 PolarHBondContact OD1-N 3.23Å; D159-R185 IonicContact OD2-CZ 3.27Å; D159-R185 IonicContact OD2-NE 3.85Å; D159-R185 PolarHBondContact OD2-NE 2.91Å; D159-R185 IonicContact OD2-NH2 2.91Å; D159-R185 PolarHBondContact OD2-NH2 2.87Å; A183-R185 PolarHBondContact O-N 3.24Å; A183-R185 VanDerWaalsContact O-N 3.09Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 3.29Å; R185-T188 WeakPolarHBondContact O-CB 3.35Å; R185-T188 PolarHBondContact O-N 3.15Å; R185-T188 VanDerWaalsContact O-N 3.13Å; R185-D189 PolarHBondContact O-N 3.19Å; R185-D189 VanDerWaalsContact O-N 3.09Å; R185-R208 PolarHBondContact O-NH2 3.07Å
186D98.1Very high97.9Very high45 Ų4529.7 Ų29.724%0.24114%0.142CC..Hα-helixtrans-64.9-37.4179.6-44.4-75.2000111L182 A183 T188 D189 Y190L182-D186 WeakPolarHBondContact CA-OD2 3.43Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; A183-D186 PolarHBondContact N-OD2 3.17Å; A183-D186 PolarHBondContact O-N 2.96Å; A183-D186 VanDerWaalsContact O-N 3.16Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.22Å; D186-D189 PolarHBondContact O-N 2.98Å; D186-Y190 WeakPolarHBondContact O-CB 3.3Å; D186-Y190 PolarHBondContact O-N 3.44Å
187L98.7Very high97.8Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-62.1-39.6174-62.9-174.4000112L182 A183 G184 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.21Å; A183-L187 WeakPolarHBondContact O-CG 3.5Å; A183-L187 PolarHBondContact O-N 3Å; A183-L187 VanDerWaalsContact O-N 3.07Å; G184-L187 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 PolarHBondContact O-N 2.88Å; L187-K215 HydrophobicContact CB-CD 3.86Å; L187-C259 PolarHBondContact O-SG 3.1Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.28Å; L187-L263 HydrophobicContact CD1-CD1 4.13Å; L187-L263 HydrophobicContact CD1-CD2 4.22Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CD2 4.47Å; L187-L263 HydrophobicContact CD2-CG 4.33Å; L187-T305 HydrophobicContact CD1-CG2 3.74Å; L187-Y308 HydrophobicContact CD1-CE2 3.68Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.28Å
188T98.4Very high97.5Very high1 Ų137.9 Ų37.91%0.00618%0.177CC..Hα-helixtrans-63.7-43.8174.2-71.50000111.1G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 2.92Å; G184-T188 PolarHBondContact O-OG1 3.44Å; R185-T188 WeakPolarHBondContact O-CB 3.35Å; R185-T188 PolarHBondContact O-N 3.15Å; R185-T188 VanDerWaalsContact O-N 3.13Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.22Å; T188-L191 PolarHBondContact O-N 2.84Å; T188-M192 WeakPolarHBondContact O-CG 3.22Å; T188-M192 PolarHBondContact O-N 2.88Å; T188-R208 HydrophobicContact CG2-CG 3.87Å; T188-V211 HydrophobicContact CG2-CB 4.46Å; T188-V211 HydrophobicContact CG2-CG1 4.35Å; T188-R212 HydrophobicContact CG2-CB 4.13Å; T188-K215 WeakPolarHBondContact OG1-CE 3.33Å; T188-K215 PolarHBondContact OG1-NZ 3.06Å
189D97.7Very high97.4Very high70 Ų7039.1 Ų39.137%0.37420%0.198SC..Hα-helixtrans-68-38.6-179.1-64-32000111.7R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 3.19Å; R185-D189 VanDerWaalsContact O-N 3.09Å; D186-D189 PolarHBondContact O-N 2.98Å; D189-M192 WeakPolarHBondContact O-CB 3.48Å; D189-M192 PolarHBondContact O-N 2.9Å; D189-K193 PolarHBondContact O-N 3.49Å; D189-K193 VanDerWaalsContact O-N 3.17Å; D189-R208 IonicContact OD1-CZ 3.35Å; D189-R208 IonicContact OD1-NE 3.07Å; D189-R208 PolarHBondContact OD1-NE 3.24Å; D189-R208 IonicContact OD1-NH2 3.41Å; D189-R208 PolarHBondContact OD1-NH2 2.82Å; D189-R208 IonicContact OD2-NH2 2.79Å; D189-R208 PolarHBondContact OD2-NH2 3.12Å; D189-R208 VanDerWaalsContact OD2-NH2 3.08Å
190Y98.3Very high97.4Very high19 Ų1937.4 Ų37.48%0.07519%0.192CC..Hα-helixtrans-66-40172.6179.7-121.8000112.2D186 M192 K193 I194 R258 T262 I269D186-Y190 WeakPolarHBondContact O-CB 3.3Å; D186-Y190 PolarHBondContact O-N 3.44Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 2.92Å; Y190-K193 HydrophobicContact CD2-CD 4.4Å; Y190-K193 WeakPolarHBondContact O-CB 3.48Å; Y190-K193 PolarHBondContact O-N 3Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; Y190-I194 HydrophobicContact CD1-CD1 4.34Å; Y190-I194 HydrophobicContact CD2-CG2 4.12Å; Y190-I194 HydrophobicContact CE1-CD1 4.02Å; Y190-I194 HydrophobicContact CE1-CG2 4.16Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 2.9Å; Y190-R258 WeakPolarHBondContact CE1-O 3.48Å; Y190-T262 HydrophobicContact CD1-CG2 3.36Å; Y190-T262 HydrophobicContact CE1-CG2 3.3Å; Y190-T262 HydrophobicContact CG-CG2 4.11Å; Y190-I269 HydrophobicContact CD1-CG2 4.16Å; Y190-I269 HydrophobicContact CD2-CG2 3.51Å; Y190-I269 HydrophobicContact CE2-CG2 4.05Å; Y190-I269 HydrophobicContact CG-CG2 3.56Å
191L98.6Very high97.4Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-60.8-41.2174.7-174.759.8000111.3L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 PolarHBondContact O-N 2.88Å; T188-L191 PolarHBondContact O-N 2.84Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.47Å; L191-I194 HydrophobicContact CD1-CD1 3.99Å; L191-I194 HydrophobicContact CD1-CG1 4.01Å; L191-I194 WeakPolarHBondContact O-CG1 3.38Å; L191-I194 PolarHBondContact O-N 2.81Å; L191-L195 HydrophobicContact CD1-CD1 4.2Å; L191-L195 HydrophobicContact CD1-CD2 4.44Å; L191-L195 HydrophobicContact CD1-CG 4Å; L191-L195 HydrophobicContact CD2-CD1 4.45Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.12Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.03Å; L191-V211 HydrophobicContact CB-CG1 3.8Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.66Å; L191-I214 HydrophobicContact CD2-CB 4.5Å; L191-I214 HydrophobicContact CD2-CG2 4.11Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.23Å; L191-E255 HydrophobicContact CD1-CB 3.92Å; L191-C259 HydrophobicContact CB-CB 4.34Å; L191-C259 HydrophobicContact CD1-CB 4.03Å
192M98.2Very high97.4Very high28 Ų2838.2 Ų38.214%0.13820%0.202CC..Hα-helixtrans-56.8-42.8174-69.5175.367.600111.6T188 D189 Y190 T196 F202 R208 V211T188-M192 WeakPolarHBondContact O-CG 3.22Å; T188-M192 PolarHBondContact O-N 2.88Å; D189-M192 WeakPolarHBondContact O-CB 3.48Å; D189-M192 PolarHBondContact O-N 2.9Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 2.92Å; M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.01Å; M192-F202 HydrophobicContact CE-CB 4.12Å; M192-F202 WeakPolarHBondContact CE-O 3.31Å; M192-R208 HydrophobicContact CE-CB 4.27Å; M192-R208 HydrophobicContact SD-CB 3.86Å; M192-R208 HydrophobicContact SD-CG 3.63Å; M192-V211 HydrophobicContact CB-CG1 4.47Å; M192-V211 HydrophobicContact CG-CB 3.77Å; M192-V211 HydrophobicContact CG-CG1 3.63Å; M192-V211 HydrophobicContact CG-CG2 3.78Å
193K97.8Very high97.2Very high118 Ų11843.6 Ų43.651%0.51323%0.234SC..Hα-helixtrans-62-52.3177.9-179.5-175.4172.7-173.50111.8D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 3.49Å; D189-K193 VanDerWaalsContact O-N 3.17Å; Y190-K193 HydrophobicContact CD2-CD 4.4Å; Y190-K193 WeakPolarHBondContact O-CB 3.48Å; Y190-K193 PolarHBondContact O-N 3Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.47Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.18Å; K193-T196 WeakPolarHBondContact O-CA 3.18Å; K193-T196 VanDerWaalsContact O-CB 3.3Å; K193-T196 WeakPolarHBondContact O-CB 3.42Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 VanDerWaalsContact O-N 3.09Å; K193-E197 PolarHBondContact O-N 3.49Å; K193-E197 VanDerWaalsContact O-N 3.08Å
194I97.9Very high96.9Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-74-24-176.865.5-177.1000113Y190 L191 T196 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.34Å; Y190-I194 HydrophobicContact CD2-CG2 4.12Å; Y190-I194 HydrophobicContact CE1-CD1 4.02Å; Y190-I194 HydrophobicContact CE1-CG2 4.16Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 2.9Å; L191-I194 HydrophobicContact CD1-CD1 3.99Å; L191-I194 HydrophobicContact CD1-CG1 4.01Å; L191-I194 WeakPolarHBondContact O-CG1 3.38Å; L191-I194 PolarHBondContact O-N 2.81Å; I194-T196 VanDerWaalsContact C-N 3.33Å; I194-E197 WeakPolarHBondContact O-CB 3.26Å; I194-E197 PolarHBondContact O-N 3Å; I194-R198 PolarHBondContact O-N 2.63Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.86Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; I194-R258 HydrophobicContact CD1-CB 4.16Å; I194-C259 HydrophobicContact CD1-CB 4.12Å
195L98.3Very high96.4Very high0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-67.7-35.9167.2-71.8175.2000111.6L191 K193 E197 R198 G199 Y200 F202 V211 I214 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.2Å; L191-L195 HydrophobicContact CD1-CD2 4.44Å; L191-L195 HydrophobicContact CD1-CG 4Å; L191-L195 HydrophobicContact CD2-CD1 4.45Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.12Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.03Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.18Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-R198 WeakPolarHBondContact O-CB 3.34Å; L195-R198 PolarHBondContact O-N 3.45Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-G199 PolarHBondContact O-N 3.12Å; L195-Y200 CarbonylContact C-O 3.55Å; L195-Y200 PolarHBondContact O-N 2.86Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.23Å; L195-F202 HydrophobicContact CD1-CD2 4.18Å; L195-F202 HydrophobicContact CD1-CE2 3.82Å; L195-V211 HydrophobicContact CD1-CG1 3.93Å; L195-V211 HydrophobicContact CD1-CG2 4.04Å; L195-I214 HydrophobicContact CD1-CD1 4.37Å; L195-I252 HydrophobicContact CD2-CD1 3.77Å; L195-I252 HydrophobicContact CD2-CG2 4.15Å; L195-E255 HydrophobicContact CD2-CB 4.41Å; L195-E255 HydrophobicContact CD2-CG 4.34Å
196T97.8Very high96.1Very high65 Ų6550 Ų5040%0.39929%0.285SS..Hα-helixtrans-65.6-38.5174-57.10000111.2M192 K193 I194 R198 G199 Y200M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.01Å; K193-T196 WeakPolarHBondContact O-CA 3.18Å; K193-T196 VanDerWaalsContact O-CB 3.3Å; K193-T196 WeakPolarHBondContact O-CB 3.42Å; K193-T196 PolarHBondContact O-N 3.28Å; K193-T196 VanDerWaalsContact O-N 3.09Å; I194-T196 VanDerWaalsContact C-N 3.33Å; T196-R198 PolarHBondContact O-N 3.2Å; T196-G199 WeakPolarHBondContact O-CA 3.38Å; T196-G199 PolarHBondContact O-N 3.46Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.41Å; T196-Y200 PolarHBondContact N-O 3.48Å
197E95.6Very high96Very high110 Ų11050.7 Ų50.751%0.51429%0.287SS..Hα-helixtrans-57.7-34.4172.5-65.8168.1-170.400112.1K193 I194 L195 G199 R258K193-E197 PolarHBondContact O-N 3.49Å; K193-E197 VanDerWaalsContact O-N 3.08Å; I194-E197 WeakPolarHBondContact O-CB 3.26Å; I194-E197 PolarHBondContact O-N 3Å; L195-E197 VanDerWaalsContact C-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-R258 IonicContact OE2-CZ 3.41Å; E197-R258 IonicContact OE2-NH1 2.79Å; E197-R258 IonicContact OE2-NH2 3.69Å; E197-R258 PolarHBondContact OE2-NH2 3.21Å
198R93.5Very high95.8Very high79 Ų7952.2 Ų52.230%0.29829%0.293SS..THydrogen-bonded Turntrans-77.1-13175.1-164.4178.3-175.689.54.8113.6I194 L195 T196 Y200 E239 T251 E255I194-R198 PolarHBondContact O-N 2.63Å; L195-R198 WeakPolarHBondContact O-CB 3.34Å; L195-R198 PolarHBondContact O-N 3.45Å; L195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 3.2Å; R198-Y200 HydrophobicContact CB-CD2 4.48Å; R198-Y200 HydrophobicContact CG-CD2 4.4Å; R198-Y200 HydrophobicContact CG-CE2 4.25Å; R198-E239 IonicContact CZ-OE1 3.54Å; R198-E239 IonicContact NH2-OE1 2.9Å; R198-E239 PolarHBondContact NH2-OE1 3.35Å; R198-T251 WeakPolarHBondContact CD-O 3.47Å; R198-T251 PolarHBondContact NE-O 3.18Å; R198-E255 WeakPolarHBondContact CD-OE1 3.33Å; R198-E255 IonicContact NH1-OE1 3.24Å; R198-E255 PolarHBondContact NH1-OE1 3.47Å; R198-E255 IonicContact NH1-OE2 3.49Å; R198-E255 PolarHBondContact NH1-OE2 3.01Å
199G96.5Very high95.7Very high62 Ų6253.6 Ų53.664%0.63930%0.299SS*.THydrogen-bonded Turntrans103.95.3-178.900000115.2L195 T196 E197L195-G199 PolarHBondContact O-N 3.12Å; T196-G199 WeakPolarHBondContact O-CA 3.38Å; T196-G199 PolarHBondContact O-N 3.46Å; E197-G199 VanDerWaalsContact C-N 3.29Å
200Y96.5Very high95.6Very high58 Ų5851.8 Ų51.823%0.22729%0.289CS..  trans-102103.9174-55.7-55.8000110.4L195 T196 R198 I250 T251L195-Y200 CarbonylContact C-O 3.55Å; L195-Y200 PolarHBondContact O-N 2.86Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.41Å; T196-Y200 PolarHBondContact N-O 3.48Å; R198-Y200 HydrophobicContact CB-CD2 4.48Å; R198-Y200 HydrophobicContact CG-CD2 4.4Å; R198-Y200 HydrophobicContact CG-CE2 4.25Å; Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.37Å; Y200-I250 HydrophobicContact CE1-CB 3.86Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 3.95Å; Y200-I250 HydrophobicContact CG-CG2 4.4Å; Y200-T251 WeakPolarHBondContact CE2-O 3.41Å; Y200-T251 PolarHBondContact OH-N 3.19Å
201S95.8Very high95.7Very high75 Ų7550.9 Ų50.952%0.52429%0.286SS..  trans-92.7126.6-179.3-165.30000111.4
202F96Very high95.6Very high17 Ų1754.4 Ų54.48%0.07530%0.299CS..  trans-122.4116.4174-63-80.6000106.8M192 L195 E207 I210 V211 I214 L244 I250M192-F202 HydrophobicContact CE-CB 4.12Å; M192-F202 WeakPolarHBondContact CE-O 3.31Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.23Å; L195-F202 HydrophobicContact CD1-CD2 4.18Å; L195-F202 HydrophobicContact CD1-CE2 3.82Å; F202-E207 HydrophobicContact CB-CB 3.91Å; F202-E207 HydrophobicContact CD1-CB 3.84Å; F202-E207 HydrophobicContact CD1-CG 4.13Å; F202-E207 HydrophobicContact CG-CB 4.36Å; F202-I210 HydrophobicContact CE1-CG2 4.33Å; F202-V211 HydrophobicContact CB-CG2 3.83Å; F202-V211 HydrophobicContact CD1-CG2 3.98Å; F202-V211 HydrophobicContact CD2-CG2 3.49Å; F202-V211 VanDerWaalsContact CD2-CG2 3.49Å; F202-V211 HydrophobicContact CE1-CG2 4.41Å; F202-V211 HydrophobicContact CE2-CG2 3.98Å; F202-V211 HydrophobicContact CG-CG2 3.48Å; F202-V211 VanDerWaalsContact CG-CG2 3.48Å; F202-V211 HydrophobicContact CZ-CG2 4.4Å; F202-I214 HydrophobicContact CZ-CD1 4.42Å; F202-L244 HydrophobicContact CE1-CD2 4.04Å; F202-L244 HydrophobicContact CZ-CD2 4.17Å; F202-I250 HydrophobicContact CZ-CD1 3.95Å
203V93.4Very high95.6Very high112 Ų11254.8 Ų54.868%0.67930%0.301SS*.  trans-121.9-25.5-169.8-64.60000113.1E207V203-E207 PolarHBondContact N-OE2 2.79Å
204T92.2Very high95.7Very high65 Ų6549.1 Ų49.140%0.39928%0.277SS..SBendtrans-88.8159-177.970.20000112.1A206 E207 R208T204-A206 PolarHBondContact O-N 2.92Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.4Å; T204-E207 PolarHBondContact N-OE2 2.78Å; T204-E207 PolarHBondContact O-N 3.17Å; T204-E207 WeakPolarHBondContact OG1-CB 3.46Å; T204-E207 VanDerWaalsContact OG1-CD 3.28Å; T204-E207 VanDerWaalsContact OG1-CG 3.23Å; T204-E207 WeakPolarHBondContact OG1-CG 3.42Å; T204-E207 PolarHBondContact OG1-N 2.96Å; T204-E207 VanDerWaalsContact OG1-N 3.12Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; T204-R208 PolarHBondContact O-N 2.73Å
205T89Confident95.7Very high72 Ų7249.5 Ų49.544%0.44228%0.279SS..THydrogen-bonded Turntrans-64.8-19.3174.255.30000113.6R64R64-T205 WeakPolarHBondContact CD-O 3.47Å; R64-T205 PolarHBondContact NH1-O 2.9Å
206A90.6Very high95.7Very high54 Ų5455.1 Ų55.145%0.44631%0.305SS..THydrogen-bonded Turntrans-82.1-44.3175.500000110.5T204 R208 E209 I210T204-A206 PolarHBondContact O-N 2.92Å; A206-R208 PolarHBondContact O-N 2.85Å; A206-E209 WeakPolarHBondContact O-CB 3.44Å; A206-E209 PolarHBondContact O-N 2.75Å; A206-I210 PolarHBondContact O-N 3.31Å
207E94.9Very high95.7Very high59 Ų5958.4 Ų58.428%0.27631%0.314SS..Hα-helixtrans-60.2-34.5172.4-77165.5166.100112.5F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.91Å; F202-E207 HydrophobicContact CD1-CB 3.84Å; F202-E207 HydrophobicContact CD1-CG 4.13Å; F202-E207 HydrophobicContact CG-CB 4.36Å; V203-E207 PolarHBondContact N-OE2 2.79Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.4Å; T204-E207 PolarHBondContact N-OE2 2.78Å; T204-E207 PolarHBondContact O-N 3.17Å; T204-E207 WeakPolarHBondContact OG1-CB 3.46Å; T204-E207 VanDerWaalsContact OG1-CD 3.28Å; T204-E207 VanDerWaalsContact OG1-CG 3.23Å; T204-E207 WeakPolarHBondContact OG1-CG 3.42Å; T204-E207 PolarHBondContact OG1-N 2.96Å; T204-E207 VanDerWaalsContact OG1-N 3.12Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; E207-E209 PolarHBondContact O-N 3.25Å; E207-I210 WeakPolarHBondContact O-CA 3.48Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 2.97Å; E207-I210 PolarHBondContact O-N 3.04Å; E207-V211 PolarHBondContact O-N 2.84Å
208R95.3Very high95.9Very high33 Ų3354.5 Ų54.513%0.12530%0.296CS..Hα-helixtrans-55-34.1171.1-176.9174.9-168.5-69.7-6.4113.2R185 T188 D189 M192 T204 A206 V211 R212R185-R208 PolarHBondContact O-NH2 3.07Å; T188-R208 HydrophobicContact CG2-CG 3.87Å; D189-R208 IonicContact OD1-CZ 3.35Å; D189-R208 IonicContact OD1-NE 3.07Å; D189-R208 PolarHBondContact OD1-NE 3.24Å; D189-R208 IonicContact OD1-NH2 3.41Å; D189-R208 PolarHBondContact OD1-NH2 2.82Å; D189-R208 IonicContact OD2-NH2 2.79Å; D189-R208 PolarHBondContact OD2-NH2 3.12Å; D189-R208 VanDerWaalsContact OD2-NH2 3.08Å; M192-R208 HydrophobicContact CE-CB 4.27Å; M192-R208 HydrophobicContact SD-CB 3.86Å; M192-R208 HydrophobicContact SD-CG 3.63Å; T204-R208 PolarHBondContact O-N 2.73Å; A206-R208 PolarHBondContact O-N 2.85Å; R208-V211 PolarHBondContact O-N 3.11Å; R208-R212 PolarHBondContact O-N 3.34Å
209E95.2Very high96.1Very high30 Ų3050.9 Ų50.914%0.1428%0.283CS..Hα-helixtrans-73.4-32177.1-63.3-65.9154.500112.2Q61 R64 A206 E207 V211 R212 D213Q61-E209 VanDerWaalsContact NE2-CG 3.31Å; Q61-E209 PolarHBondContact NE2-OE1 3.08Å; Q61-E209 PolarHBondContact NE2-OE2 3.32Å; R64-E209 IonicContact CZ-OE1 3.89Å; R64-E209 VanDerWaalsContact CZ-OE1 3.25Å; R64-E209 IonicContact NH1-OE1 3.85Å; R64-E209 PolarHBondContact NH1-OE1 3.04Å; R64-E209 IonicContact NH2-OE1 3.13Å; R64-E209 PolarHBondContact NH2-OE1 2.93Å; A206-E209 WeakPolarHBondContact O-CB 3.44Å; A206-E209 PolarHBondContact O-N 2.75Å; E207-E209 PolarHBondContact O-N 3.25Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-R212 PolarHBondContact O-N 3.46Å; E209-R212 IonicContact OE2-CZ 3.03Å; E209-R212 IonicContact OE2-NE 2.76Å; E209-R212 PolarHBondContact OE2-NE 3.09Å; E209-R212 IonicContact OE2-NH2 3.55Å; E209-R212 PolarHBondContact OE2-NH2 2.71Å; E209-D213 PolarHBondContact O-N 2.91Å
210I97.3Very high96.2Very high32 Ų3249.4 Ų49.416%0.16426%0.258CS..Hα-helixtrans-61.6-45169.9-55.5173.8000109F202 A206 E207 R212 D213 I214 Y242 L244 P245F202-I210 HydrophobicContact CE1-CG2 4.33Å; A206-I210 PolarHBondContact O-N 3.31Å; E207-I210 WeakPolarHBondContact O-CA 3.48Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 2.97Å; E207-I210 PolarHBondContact O-N 3.04Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.31Å; I210-D213 PolarHBondContact O-N 3.5Å; I210-D213 VanDerWaalsContact O-N 3.14Å; I210-I214 HydrophobicContact CG2-CD1 4.09Å; I210-I214 WeakPolarHBondContact O-CG1 3.41Å; I210-I214 PolarHBondContact O-N 3.29Å; I210-Y242 HydrophobicContact CG2-CE1 3.85Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; I210-P245 HydrophobicContact CD1-CG 3.85Å; I210-P245 HydrophobicContact CG1-CG 4.18Å
211V98.4Very high96.3Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-66.2-36.4178.2-178.80000112.2T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215T188-V211 HydrophobicContact CG2-CB 4.46Å; T188-V211 HydrophobicContact CG2-CG1 4.35Å; L191-V211 HydrophobicContact CB-CG1 3.8Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.66Å; M192-V211 HydrophobicContact CB-CG1 4.47Å; M192-V211 HydrophobicContact CG-CB 3.77Å; M192-V211 HydrophobicContact CG-CG1 3.63Å; M192-V211 HydrophobicContact CG-CG2 3.78Å; L195-V211 HydrophobicContact CD1-CG1 3.93Å; L195-V211 HydrophobicContact CD1-CG2 4.04Å; F202-V211 HydrophobicContact CB-CG2 3.83Å; F202-V211 HydrophobicContact CD1-CG2 3.98Å; F202-V211 HydrophobicContact CD2-CG2 3.49Å; F202-V211 VanDerWaalsContact CD2-CG2 3.49Å; F202-V211 HydrophobicContact CE1-CG2 4.41Å; F202-V211 HydrophobicContact CE2-CG2 3.98Å; F202-V211 HydrophobicContact CG-CG2 3.48Å; F202-V211 VanDerWaalsContact CG-CG2 3.48Å; F202-V211 HydrophobicContact CZ-CG2 4.4Å; E207-V211 PolarHBondContact O-N 2.84Å; R208-V211 PolarHBondContact O-N 3.11Å; E209-V211 VanDerWaalsContact C-N 3.3Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 3.13Å; V211-I214 PolarHBondContact O-N 3.09Å; V211-K215 WeakPolarHBondContact O-CB 3.28Å; V211-K215 PolarHBondContact O-N 3.08Å
212R98Very high96.5Very high73 Ų7343.4 Ų43.428%0.27522%0.224SC..Hα-helixtrans-60.1-43.1170.4-172.8-171.362.371.35.5111.7T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 4.13Å; R208-R212 PolarHBondContact O-N 3.34Å; E209-R212 PolarHBondContact O-N 3.46Å; E209-R212 IonicContact OE2-CZ 3.03Å; E209-R212 IonicContact OE2-NE 2.76Å; E209-R212 PolarHBondContact OE2-NE 3.09Å; E209-R212 IonicContact OE2-NH2 3.55Å; E209-R212 PolarHBondContact OE2-NH2 2.71Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.31Å; R212-K215 WeakPolarHBondContact O-CB 3.36Å; R212-K215 PolarHBondContact O-N 2.83Å; R212-E216 WeakPolarHBondContact CG-OE1 3.44Å; R212-E216 IonicContact CZ-OE1 3.56Å; R212-E216 IonicContact NH1-OE1 3.25Å; R212-E216 PolarHBondContact NH1-OE1 2.99Å; R212-E216 IonicContact NH1-OE2 2.75Å; R212-E216 PolarHBondContact NH1-OE2 3.16Å; R212-E216 WeakPolarHBondContact O-CG 3.33Å; R212-E216 PolarHBondContact O-N 3.21Å
213D98.2Very high96.6Very high36 Ų3647.1 Ų47.119%0.19324%0.244CC..Hα-helixtrans-67-42.1178-172.880.7000112.2E209 I210 V211 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 2.91Å; I210-D213 PolarHBondContact O-N 3.5Å; I210-D213 VanDerWaalsContact O-N 3.14Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 3.13Å; D213-K215 VanDerWaalsContact C-N 3.3Å; D213-K215 PolarHBondContact O-N 3.44Å; D213-E216 PolarHBondContact O-N 3.04Å; D213-K217 VanDerWaalsContact CG-NZ 3.31Å; D213-K217 WeakPolarHBondContact O-CB 3.41Å; D213-K217 WeakPolarHBondContact O-CG 3.03Å; D213-K217 PolarHBondContact O-N 3.42Å; D213-K217 WeakPolarHBondContact OD1-CE 3.45Å; D213-K217 IonicContact OD1-NZ 3.36Å; D213-K217 PolarHBondContact OD1-NZ 3.07Å; D213-K217 VanDerWaalsContact OD1-NZ 3.14Å; D213-K217 VanDerWaalsContact OD2-CD 3.27Å; D213-K217 WeakPolarHBondContact OD2-CD 3.29Å; D213-K217 WeakPolarHBondContact OD2-CE 3.44Å; D213-K217 IonicContact OD2-NZ 2.82Å; D213-K217 PolarHBondContact OD2-NZ 2.65Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.47Å; D213-Y242 PolarHBondContact OD2-OH 2.86Å
214I98.7Very high96.8Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-55.2-48.2171.4-69167.2000110.2L191 L195 F202 I210 V211 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CB 4.5Å; L191-I214 HydrophobicContact CD2-CG2 4.11Å; L195-I214 HydrophobicContact CD1-CD1 4.37Å; F202-I214 HydrophobicContact CZ-CD1 4.42Å; I210-I214 HydrophobicContact CG2-CD1 4.09Å; I210-I214 WeakPolarHBondContact O-CG1 3.41Å; I210-I214 PolarHBondContact O-N 3.29Å; V211-I214 PolarHBondContact O-N 3.09Å; I214-K217 PolarHBondContact O-N 3.13Å; I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.34Å; I214-L218 PolarHBondContact O-N 2.78Å; I214-Y242 HydrophobicContact CD1-CD1 4.01Å; I214-Y242 HydrophobicContact CD1-CE1 4.18Å; I214-Y242 HydrophobicContact CD1-CG 4.31Å; I214-Y242 HydrophobicContact CG1-CD1 3.77Å; I214-Y242 HydrophobicContact CG1-CD2 3.67Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.68Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; I214-I250 HydrophobicContact CD1-CD1 4Å; I214-I252 HydrophobicContact CG2-CD1 4.32Å; I214-I252 HydrophobicContact CG2-CG1 4.02Å; I214-I252 HydrophobicContact CG2-CG2 4.5Å
215K98.6Very high97.1Very high8 Ų842.7 Ų42.74%0.03521%0.214CC..Hα-helixtrans-56.6-52.4178.8-173.4-170.674.8-173.10111.3G184 L187 T188 L191 V211 R212 D213 K217 C219 Y308G184-K215 PolarHBondContact O-NZ 3.18Å; L187-K215 HydrophobicContact CB-CD 3.86Å; T188-K215 WeakPolarHBondContact OG1-CE 3.33Å; T188-K215 PolarHBondContact OG1-NZ 3.06Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.23Å; V211-K215 WeakPolarHBondContact O-CB 3.28Å; V211-K215 PolarHBondContact O-N 3.08Å; R212-K215 WeakPolarHBondContact O-CB 3.36Å; R212-K215 PolarHBondContact O-N 2.83Å; D213-K215 VanDerWaalsContact C-N 3.3Å; D213-K215 PolarHBondContact O-N 3.44Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 3.07Å; K215-C219 VanDerWaalsContact O-CB 3.22Å; K215-C219 WeakPolarHBondContact O-CB 3.24Å; K215-C219 PolarHBondContact O-N 3.16Å; K215-Y308 VanDerWaalsContact CD-OH 3.24Å; K215-Y308 WeakPolarHBondContact CD-OH 3.35Å; K215-Y308 HydrophobicContact CG-CE1 4.29Å; K215-Y308 WeakPolarHBondContact CG-OH 3.24Å
216E98.3Very high97.6Very high117 Ų11745.3 Ų45.355%0.54722%0.221SC..Hα-helixtrans-68.1-32.2-176.4-72.5173.3-158.100113R212 D213R212-E216 WeakPolarHBondContact CG-OE1 3.44Å; R212-E216 IonicContact CZ-OE1 3.56Å; R212-E216 IonicContact NH1-OE1 3.25Å; R212-E216 PolarHBondContact NH1-OE1 2.99Å; R212-E216 IonicContact NH1-OE2 2.75Å; R212-E216 PolarHBondContact NH1-OE2 3.16Å; R212-E216 WeakPolarHBondContact O-CG 3.33Å; R212-E216 PolarHBondContact O-N 3.21Å; D213-E216 PolarHBondContact O-N 3.04Å
217K98.4Very high97.9Very high135 Ų13547.4 Ų47.459%0.58723%0.225SC*.Hα-helixtrans-86.3-37.2-178.8-72.6-179.5-177.4159.40114.3D213 I214 K215 Y242D213-K217 VanDerWaalsContact CG-NZ 3.31Å; D213-K217 WeakPolarHBondContact O-CB 3.41Å; D213-K217 WeakPolarHBondContact O-CG 3.03Å; D213-K217 PolarHBondContact O-N 3.42Å; D213-K217 WeakPolarHBondContact OD1-CE 3.45Å; D213-K217 IonicContact OD1-NZ 3.36Å; D213-K217 PolarHBondContact OD1-NZ 3.07Å; D213-K217 VanDerWaalsContact OD1-NZ 3.14Å; D213-K217 VanDerWaalsContact OD2-CD 3.27Å; D213-K217 WeakPolarHBondContact OD2-CD 3.29Å; D213-K217 WeakPolarHBondContact OD2-CE 3.44Å; D213-K217 IonicContact OD2-NZ 2.82Å; D213-K217 PolarHBondContact OD2-NZ 2.65Å; I214-K217 PolarHBondContact O-N 3.13Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 3.07Å; K217-Y242 HydrophobicContact CD-CE2 4.36Å
218L98.6Very high98.1Very high27 Ų2746.3 Ų46.314%0.14122%0.22CC..Hα-helixtrans-115.2-24.2-164.4-58.3-172.3000114.2I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.34Å; I214-L218 PolarHBondContact O-N 2.78Å; L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.21Å; L218-Y242 HydrophobicContact CD1-CD2 4.06Å; L218-Y242 HydrophobicContact CD1-CG 4.43Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.86Å; L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.3Å; L218-R256 PolarHBondContact O-NE 2.66Å; L218-R256 PolarHBondContact O-NH2 2.95Å
219C98.8Very high98.2Very high3 Ų347.3 Ų47.32%0.0223%0.226CC..  trans-78152.5-178.3-68.40000112.5K215 R256 P260 Y308K215-C219 VanDerWaalsContact O-CB 3.22Å; K215-C219 WeakPolarHBondContact O-CB 3.24Å; K215-C219 PolarHBondContact O-N 3.16Å; C219-R256 CarbonylContact C-O 3.52Å; C219-R256 WeakPolarHBondContact CA-O 3.38Å; C219-R256 WeakPolarHBondContact CB-O 3.45Å; C219-R256 PolarHBondContact SG-O 3.3Å; C219-R256 VanDerWaalsContact SG-O 3.37Å; C219-P260 HydrophobicContact CB-CG 4.46Å; C219-Y308 HydrophobicContact CB-CD1 4.1Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å
220Y98.8Very high98.4Very high32 Ų3248.6 Ų48.613%0.12524%0.242CC..  trans-155.6158.6-17966.2-81.2000110.1E228 R256 F257 P260Y220-E228 PolarHBondContact OH-OE1 2.77Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.79Å; Y220-R256 PolarHBondContact N-O 2.99Å; Y220-F257 HydrophobicContact CD2-CB 4.41Å; Y220-F257 HydrophobicContact CE1-CB 4.23Å; Y220-F257 HydrophobicContact CE1-CD1 4.29Å; Y220-F257 HydrophobicContact CE2-CB 4.04Å; Y220-F257 AromaticContact CZ-CD1 3.86Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.48Å; Y220-F257 WeakPolarHBondContact O-CB 3.4Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.48Å; Y220-P260 WeakPolarHBondContact O-CG 3.39Å
221V98.9Very high98.4Very high4 Ų449.1 Ų49.12%0.02425%0.247CC..  trans-91.1124.3175.9173.30000109.3P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.85Å; V221-P260 HydrophobicContact CG2-CG 4.24Å; V221-F264 HydrophobicContact CG1-CD2 4.4Å; V221-F264 HydrophobicContact CG1-CE2 3.63Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; V221-Y308 HydrophobicContact CG2-CD2 4.46Å; V221-Y308 HydrophobicContact CG2-CG 4.38Å; V221-P309 PolarHBondContact N-O 3.16Å; V221-I311 HydrophobicContact CB-CB 4.22Å; V221-I311 HydrophobicContact CG2-CB 3.87Å; V221-I311 HydrophobicContact CG2-CD1 4.45Å; V221-I311 HydrophobicContact CG2-CG1 4.04Å; V221-R314 HydrophobicContact CG1-CB 3.5Å; V221-R314 HydrophobicContact CG1-CG 3.7Å
222A98.7Very high98.3Very high2 Ų250.3 Ų50.32%0.01726%0.257CS..  trans-73.4141.3172.400000110.8D224 E228 F257 R314A222-D224 VanDerWaalsContact C-N 3.33Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.8Å; A222-F257 HydrophobicContact CB-CB 4.23Å; A222-F257 HydrophobicContact CB-CD2 4.34Å; A222-F257 HydrophobicContact CB-CG 4.48Å; A222-R314 WeakPolarHBondContact O-CD 3.42Å; A222-R314 PolarHBondContact O-NH1 2.9Å
223L98.6Very high98.2Very high95 Ų9551.1 Ų51.150%0.49728%0.279SS..SBendtrans-69.8-34.5174.7-175.866000111.8D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.2Å; L223-R314 WeakPolarHBondContact O-CD 3.42Å; L223-K317 HydrophobicContact CD1-CB 4.11Å; L223-K317 HydrophobicContact CD1-CD 3.91Å; L223-K317 HydrophobicContact CG-CD 4.18Å; L223-K317 WeakPolarHBondContact O-CD 3.31Å; L223-K317 PolarHBondContact O-NZ 3.48Å
224D98.5Very high98.1Very high69 Ų6954.2 Ų54.237%0.36930%0.304SS..SBendtrans-136.5105.4175-168-60.1000108.6A222 E226 N227 E228 K317A222-D224 VanDerWaalsContact C-N 3.33Å; D224-E226 PolarHBondContact O-N 3Å; D224-E226 PolarHBondContact OD1-N 3.13Å; D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 2.87Å; D224-N227 PolarHBondContact OD1-N 2.71Å; D224-E228 WeakPolarHBondContact O-CB 3.49Å; D224-E228 PolarHBondContact O-N 2.62Å; D224-K317 IonicContact OD2-NZ 2.86Å; D224-K317 PolarHBondContact OD2-NZ 3.42Å
225F98.3Very high97.9Very high16 Ų1656.5 Ų56.57%0.0732%0.32CS..Hα-helixtrans-61.7-43.7-172.7177.4-102.3000112.5E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 2.85Å; F225-M229 HydrophobicContact CD1-CG 4.26Å; F225-M229 HydrophobicContact CE1-CG 3.76Å; F225-M229 HydrophobicContact CE2-CG 4.08Å; F225-M229 HydrophobicContact CE2-SD 4.33Å; F225-M229 HydrophobicContact CZ-CG 3.66Å; F225-M229 HydrophobicContact CZ-SD 3.98Å; F225-M229 WeakPolarHBondContact O-CB 3.34Å; F225-M229 WeakPolarHBondContact O-CG 3.09Å; F225-M229 PolarHBondContact O-N 2.96Å; F225-F257 AromaticContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CE2 4.24Å; F225-F257 AromaticContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CE2 4Å; F225-R258 HydrophobicContact CE2-CG 3.95Å; F225-R258 HydrophobicContact CZ-CG 4.07Å; F225-E261 HydrophobicContact CB-CG 4.4Å; F225-E261 HydrophobicContact CD1-CG 4.38Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.43Å; F225-E261 VanDerWaalsContact CD2-CG 3.43Å; F225-E261 HydrophobicContact CE2-CB 3.83Å; F225-E261 HydrophobicContact CE2-CG 3.71Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.29Å; F225-F268 AromaticContact CE1-CE2 3.87Å; F225-F268 HydrophobicContact CE1-CE2 3.87Å; F225-F268 AromaticContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.63Å; F225-F268 HydrophobicContact CZ-CE2 3.63Å; F225-F268 HydrophobicContact CZ-CZ 4.02Å
226E98.1Very high97.7Very high126 Ų12660.1 Ų60.159%0.58935%0.346SS*.Hα-helixtrans-67.9-42-177.5-63.5-57.1149.400111.6D224 M229 A230D224-E226 PolarHBondContact O-N 3Å; D224-E226 PolarHBondContact OD1-N 3.13Å; E226-M229 WeakPolarHBondContact O-CB 3.35Å; E226-M229 PolarHBondContact O-N 2.94Å; E226-A230 PolarHBondContact O-N 2.84Å
227N98Very high97.6Very high98 Ų9858.4 Ų58.452%0.52435%0.347SS..Hα-helixtrans-65.3-38.9175-178.367.7000112.3D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 2.87Å; D224-N227 PolarHBondContact OD1-N 2.71Å; N227-A230 PolarHBondContact O-N 2.98Å; N227-T231 PolarHBondContact O-N 2.96Å; N227-T231 PolarHBondContact O-OG1 3.06Å
228E98.2Very high97.5Very high36 Ų3653.3 Ų53.317%0.16833%0.326CS..Hα-helixtrans-65.7-39.9176.2-158.581.3-162.800111.1Y220 A222 D224 F225 T231 A232 L238 F257Y220-E228 PolarHBondContact OH-OE1 2.77Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.8Å; D224-E228 WeakPolarHBondContact O-CB 3.49Å; D224-E228 PolarHBondContact O-N 2.62Å; F225-E228 PolarHBondContact O-N 2.85Å; E228-T231 PolarHBondContact O-N 2.91Å; E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 2.94Å; E228-L238 HydrophobicContact CG-CD1 4Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.31Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; E228-F257 HydrophobicContact CB-CD2 4.09Å; E228-F257 HydrophobicContact CB-CE1 4.46Å; E228-F257 HydrophobicContact CB-CE2 3.83Å; E228-F257 HydrophobicContact CB-CZ 4.02Å; E228-F257 HydrophobicContact CG-CD1 3.68Å; E228-F257 HydrophobicContact CG-CD2 3.85Å; E228-F257 HydrophobicContact CG-CE1 3.61Å; E228-F257 HydrophobicContact CG-CE2 3.79Å; E228-F257 HydrophobicContact CG-CG 3.79Å; E228-F257 HydrophobicContact CG-CZ 3.68Å
229M98.1Very high97.4Very high54 Ų5455.9 Ų55.927%0.26634%0.337SS..Hα-helixtrans-60-46.4172.5-79.5-59.9-65.400112.2F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.26Å; F225-M229 HydrophobicContact CE1-CG 3.76Å; F225-M229 HydrophobicContact CE2-CG 4.08Å; F225-M229 HydrophobicContact CE2-SD 4.33Å; F225-M229 HydrophobicContact CZ-CG 3.66Å; F225-M229 HydrophobicContact CZ-SD 3.98Å; F225-M229 WeakPolarHBondContact O-CB 3.34Å; F225-M229 WeakPolarHBondContact O-CG 3.09Å; F225-M229 PolarHBondContact O-N 2.96Å; E226-M229 WeakPolarHBondContact O-CB 3.35Å; E226-M229 PolarHBondContact O-N 2.94Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.98Å; M229-A232 PolarHBondContact O-N 3.27Å; M229-A233 PolarHBondContact O-N 3.11Å; M229-N254 HydrophobicContact SD-CB 4.25Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.35Å; M229-F257 HydrophobicContact SD-CE2 3.56Å; M229-F257 VanDerWaalsContact SD-CE2 3.56Å; M229-F257 HydrophobicContact SD-CZ 3.82Å; M229-R258 HydrophobicContact SD-CG 3.88Å
230A98.1Very high97.4Very high57 Ų5760.8 Ų60.847%0.47136%0.358SS..Hα-helixtrans-62.3-38.3177.100000112.2E226 N227 A233 S234E226-A230 PolarHBondContact O-N 2.84Å; N227-A230 PolarHBondContact O-N 2.98Å; A230-A233 PolarHBondContact O-N 3.16Å; A230-S234 PolarHBondContact O-N 3.05Å; A230-S234 PolarHBondContact O-OG 2.93Å
231T97.8Very high97.4Very high44 Ų4463.3 Ų63.327%0.2738%0.38SS..Hα-helixtrans-65.2-46174.9-57.40000110.9N227 E228 M229 A233 S234 S235 L238N227-T231 PolarHBondContact O-N 2.96Å; N227-T231 PolarHBondContact O-OG1 3.06Å; E228-T231 PolarHBondContact O-N 2.91Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.98Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.39Å; T231-S234 PolarHBondContact O-N 3.34Å; T231-S234 VanDerWaalsContact O-N 3.16Å; T231-S234 PolarHBondContact O-OG 3.42Å; T231-S235 WeakPolarHBondContact O-CB 3.24Å; T231-S235 PolarHBondContact O-N 3.24Å; T231-L238 HydrophobicContact CG2-CD1 3.91Å; T231-L238 HydrophobicContact CG2-CG 4.22Å
232A97Very high97.3Very high24 Ų2464.5 Ų64.520%0.19839%0.385CS..Hα-helixtrans-64.5-29.3178.500000113.4E228 M229 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 2.94Å; M229-A232 PolarHBondContact O-N 3.27Å; A232-L238 HydrophobicContact CB-CD1 4.02Å; A232-N254 HydrophobicContact CB-CB 3.88Å; A232-F257 HydrophobicContact CB-CE1 4.01Å; A232-F257 HydrophobicContact CB-CZ 3.88Å
233A96.5Very high97.3Very high91 Ų9170.8 Ų70.875%0.75241%0.414SS*.Hα-helixtrans-75.2-24.2176.600000113.2M229 A230 T231M229-A233 PolarHBondContact O-N 3.11Å; A230-A233 PolarHBondContact O-N 3.16Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.39Å
234S95.7Very high97.2Very high101 Ų10167.1 Ų67.171%0.70639%0.394SS*.Hα-helixtrans-108.5-13.6-174.7560000114.2A230 T231A230-S234 PolarHBondContact O-N 3.05Å; A230-S234 PolarHBondContact O-OG 2.93Å; T231-S234 PolarHBondContact O-N 3.34Å; T231-S234 VanDerWaalsContact O-N 3.16Å; T231-S234 PolarHBondContact O-OG 3.42Å
235S93.8Very high97Very high48 Ų4869 Ų6934%0.33641%0.411SS..  trans-145.8141.5-174178.90000112T231 S237T231-S235 WeakPolarHBondContact O-CB 3.24Å; T231-S235 PolarHBondContact O-N 3.24Å; S235-S237 PolarHBondContact O-N 3.36Å; S235-S237 WeakPolarHBondContact OG-CB 3.43Å; S235-S237 PolarHBondContact OG-N 3.2Å; S235-S237 PolarHBondContact OG-OG 3.42Å
236S94.5Very high96.8Very high83 Ų8373.9 Ų73.958%0.5844%0.437SS*.G310 helixtrans-83.13.6169.558.10000113.3L238 E239S236-L238 PolarHBondContact O-N 3.08Å; S236-L238 VanDerWaalsContact O-N 3.08Å; S236-E239 WeakPolarHBondContact CB-OE2 3.39Å; S236-E239 WeakPolarHBondContact O-CB 3.29Å; S236-E239 PolarHBondContact O-N 3.47Å
237S95.8Very high96.7Very high82 Ų8269.8 Ų69.857%0.57343%0.429SS*.G310 helixtrans-60.5-22-177.558.10000114.2S235S235-S237 PolarHBondContact O-N 3.36Å; S235-S237 WeakPolarHBondContact OG-CB 3.43Å; S235-S237 PolarHBondContact OG-N 3.2Å; S235-S237 PolarHBondContact OG-OG 3.42Å
238L96.5Very high96.6Very high27 Ų2770 Ų7014%0.14143%0.427CS..G310 helixtrans-89.8-7.4177.3-58.4-178.3000113E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 4Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.31Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; T231-L238 HydrophobicContact CG2-CD1 3.91Å; T231-L238 HydrophobicContact CG2-CG 4.22Å; A232-L238 HydrophobicContact CB-CD1 4.02Å; S236-L238 PolarHBondContact O-N 3.08Å; S236-L238 VanDerWaalsContact O-N 3.08Å; L238-R256 PolarHBondContact O-NH1 2.75Å; L238-F257 HydrophobicContact CD1-CE1 4.05Å
239E97.7Very high96.6Very high81 Ų8172.3 Ų72.338%0.37944%0.443SS..  trans-73.4144.4179.5-60.7-169.7141.700111.7R198 S236 T251 I252R198-E239 IonicContact CZ-OE1 3.54Å; R198-E239 IonicContact NH2-OE1 2.9Å; R198-E239 PolarHBondContact NH2-OE1 3.35Å; S236-E239 WeakPolarHBondContact CB-OE2 3.39Å; S236-E239 WeakPolarHBondContact O-CB 3.29Å; S236-E239 PolarHBondContact O-N 3.47Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.19Å; E239-I252 WeakPolarHBondContact CA-O 3.36Å
240K98.2Very high96.6Very high106 Ų10669.8 Ų69.846%0.46143%0.431SS..EExtended strand (participates in β ladder)trans-131.2143.1171.9-69.7-67.8179.7-178.50110.1L218 T251 I252L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.21Å; K240-T251 CarbonylContact O-C 3.6Å; K240-T251 WeakPolarHBondContact O-CA 3.28Å; K240-I252 PolarHBondContact N-O 2.87Å; K240-I252 PolarHBondContact O-N 2.88Å
241S97.5Very high96.5Very high85 Ų8569 Ų6959%0.59442%0.42SS*.EExtended strand (participates in β ladder)trans-86.8146.3172.8-62.10000110.4I250S241-I250 CarbonylContact C-O 3.53Å; S241-I250 VanDerWaalsContact CA-O 3.31Å; S241-I250 WeakPolarHBondContact CA-O 3.39Å
242Y98.3Very high96.6Very high30 Ų3066.9 Ų66.912%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-133.9132.7173.8-177.2-86.2000109.1I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.85Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.47Å; D213-Y242 PolarHBondContact OD2-OH 2.86Å; I214-Y242 HydrophobicContact CD1-CD1 4.01Å; I214-Y242 HydrophobicContact CD1-CE1 4.18Å; I214-Y242 HydrophobicContact CD1-CG 4.31Å; I214-Y242 HydrophobicContact CG1-CD1 3.77Å; I214-Y242 HydrophobicContact CG1-CD2 3.67Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.68Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; K217-Y242 HydrophobicContact CD-CE2 4.36Å; L218-Y242 HydrophobicContact CD1-CD2 4.06Å; L218-Y242 HydrophobicContact CD1-CG 4.43Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; Y242-V249 WeakPolarHBondContact O-CA 3.34Å; Y242-I250 HydrophobicContact CD1-CD1 4.49Å; Y242-I250 HydrophobicContact CD1-CG1 4.37Å; Y242-I250 PolarHBondContact N-O 3.39Å; Y242-I250 PolarHBondContact O-N 2.84Å
243E98.2Very high96.6Very high133 Ų13365.9 Ų65.962%0.62140%0.399SS*.EExtended strand (participates in β ladder)trans-93.2118.9177.6-171177.2165.800109.9V249E243-V249 HydrophobicContact CB-CG2 4.47Å; E243-V249 HydrophobicContact CG-CG2 4.39Å
244L96.7Very high96.7Very high18 Ų1863.3 Ų63.39%0.09437%0.372CS..  trans-71.9159.2175-64.9178.9000110.7F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.04Å; F202-L244 HydrophobicContact CZ-CD2 4.17Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; L244-D246 WeakPolarHBondContact CB-OD1 3.3Å; L244-D246 PolarHBondContact O-N 3.18Å; L244-G247 WeakPolarHBondContact O-CA 3.31Å; L244-G247 PolarHBondContact O-N 3.47Å; L244-Q248 HydrophobicContact CB-CB 4.43Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.28Å; L244-Q248 HydrophobicContact CD1-CB 4.16Å; L244-Q248 HydrophobicContact CD1-CG 4.34Å; L244-Q248 WeakPolarHBondContact CG-O 3.26Å; L244-Q248 PolarHBondContact N-O 3.36Å; L244-I250 HydrophobicContact CD1-CG2 3.75Å; L244-I250 HydrophobicContact CD2-CD1 3.92Å; L244-I250 HydrophobicContact CD2-CG1 4.43Å; L244-I250 HydrophobicContact CG-CD1 4.32Å; L244-I250 HydrophobicContact CG-CG1 4.38Å; L244-I250 HydrophobicContact CG-CG2 4.19Å
245P93.9Very high96.8Very high109 Ų10958.8 Ų58.871%0.70834%0.34SS*.THydrogen-bonded Turntrans-59.3-19.5-179.4-26.536.1000115.7I210 G247I210-P245 HydrophobicContact CD1-CG 3.85Å; I210-P245 HydrophobicContact CG1-CG 4.18Å; P245-G247 VanDerWaalsContact C-N 3.32Å
246D94.1Very high97Very high119 Ų11958 Ų5864%0.63633%0.33SS*.THydrogen-bonded Turntrans-87.91.9174.863.2-1.2000113.4L244 Q248L244-D246 WeakPolarHBondContact CB-OD1 3.3Å; L244-D246 PolarHBondContact O-N 3.18Å; D246-Q248 VanDerWaalsContact C-N 3.34Å; D246-Q248 VanDerWaalsContact OD1-CB 3.29Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.37Å; D246-Q248 PolarHBondContact OD1-N 3.14Å
247G95.9Very high97.2Very high39 Ų3954 Ų5440%0.40230%0.302SS..SBendtrans85.9-3.3-177.500000114.2L244 P245 V249L244-G247 WeakPolarHBondContact O-CA 3.31Å; L244-G247 PolarHBondContact O-N 3.47Å; P245-G247 VanDerWaalsContact C-N 3.32Å; G247-V249 PolarHBondContact O-N 2.83Å
248Q96.2Very high97.4Very high103 Ų10352.3 Ų52.348%0.48128%0.283SS..  trans-68.7129.3175.4179.7179.6-5.300110.2L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.43Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.28Å; L244-Q248 HydrophobicContact CD1-CB 4.16Å; L244-Q248 HydrophobicContact CD1-CG 4.34Å; L244-Q248 WeakPolarHBondContact CG-O 3.26Å; L244-Q248 PolarHBondContact N-O 3.36Å; D246-Q248 VanDerWaalsContact C-N 3.34Å; D246-Q248 VanDerWaalsContact OD1-CB 3.29Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.37Å; D246-Q248 PolarHBondContact OD1-N 3.14Å; Q248-I250 HydrophobicContact CG-CG2 4.42Å
249V97.7Very high97.5Very high85 Ų8551 Ų5152%0.51528%0.276SS..EExtended strand (participates in β ladder)trans-93.3126.5174.9-177.60000110Y242 E243 G247Y242-V249 WeakPolarHBondContact O-CA 3.34Å; E243-V249 HydrophobicContact CB-CG2 4.47Å; E243-V249 HydrophobicContact CG-CG2 4.39Å; G247-V249 PolarHBondContact O-N 2.83Å
250I97.6Very high97.5Very high1 Ų147.2 Ų47.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-113.5156174.663.8171.4000110.8Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.37Å; Y200-I250 HydrophobicContact CE1-CB 3.86Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 3.95Å; Y200-I250 HydrophobicContact CG-CG2 4.4Å; F202-I250 HydrophobicContact CZ-CD1 3.95Å; I214-I250 HydrophobicContact CD1-CD1 4Å; S241-I250 CarbonylContact C-O 3.53Å; S241-I250 VanDerWaalsContact CA-O 3.31Å; S241-I250 WeakPolarHBondContact CA-O 3.39Å; Y242-I250 HydrophobicContact CD1-CD1 4.49Å; Y242-I250 HydrophobicContact CD1-CG1 4.37Å; Y242-I250 PolarHBondContact N-O 3.39Å; Y242-I250 PolarHBondContact O-N 2.84Å; L244-I250 HydrophobicContact CD1-CG2 3.75Å; L244-I250 HydrophobicContact CD2-CD1 3.92Å; L244-I250 HydrophobicContact CD2-CG1 4.43Å; L244-I250 HydrophobicContact CG-CD1 4.32Å; L244-I250 HydrophobicContact CG-CG1 4.38Å; L244-I250 HydrophobicContact CG-CG2 4.19Å; Q248-I250 HydrophobicContact CG-CG2 4.42Å; I250-I252 HydrophobicContact CD1-CD1 3.64Å; I250-I252 HydrophobicContact CG1-CD1 3.88Å
251T97.8Very high97.5Very high40 Ų4042.1 Ų42.125%0.24524%0.236CC..EExtended strand (participates in β ladder)trans-111.1122.1-179.7-56.20000110.4R198 Y200 E239 K240R198-T251 WeakPolarHBondContact CD-O 3.47Å; R198-T251 PolarHBondContact NE-O 3.18Å; Y200-T251 WeakPolarHBondContact CE2-O 3.41Å; Y200-T251 PolarHBondContact OH-N 3.19Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.19Å; K240-T251 CarbonylContact O-C 3.6Å; K240-T251 WeakPolarHBondContact O-CA 3.28Å
252I98.2Very high97.6Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-103.5123.8176.9-39-53.4000108.4L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.77Å; L195-I252 HydrophobicContact CD2-CG2 4.15Å; I214-I252 HydrophobicContact CG2-CD1 4.32Å; I214-I252 HydrophobicContact CG2-CG1 4.02Å; I214-I252 HydrophobicContact CG2-CG2 4.5Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.86Å; E239-I252 WeakPolarHBondContact CA-O 3.36Å; K240-I252 PolarHBondContact N-O 2.87Å; K240-I252 PolarHBondContact O-N 2.88Å; I250-I252 HydrophobicContact CD1-CD1 3.64Å; I250-I252 HydrophobicContact CG1-CD1 3.88Å; I252-E255 HydrophobicContact CG2-CB 4.1Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.12Å
253G98Very high97.6Very high2 Ų236.7 Ų36.72%0.02120%0.202CC..  trans-109-118.5-17600000112.3E255 R256G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.29Å; G253-E255 WeakPolarHBondContact CA-OE2 3.35Å; G253-E255 PolarHBondContact N-OE2 3.35Å; G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.15Å; G253-R256 WeakPolarHBondContact O-CB 3.49Å; G253-R256 WeakPolarHBondContact O-CG 3.49Å; G253-R256 PolarHBondContact O-N 2.96Å; G253-R256 VanDerWaalsContact O-N 3.16Å
254N97.9Very high97.6Very high37 Ų3730.5 Ų30.520%0.19817%0.174CC..THydrogen-bonded Turntrans-65.8-15.1-177.364.539000113.8M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.25Å; A232-N254 HydrophobicContact CB-CB 3.88Å; N254-R256 PolarHBondContact O-N 3.5Å; N254-R256 VanDerWaalsContact O-N 3.12Å; N254-F257 VanDerWaalsContact CA-CE1 3.5Å; 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 3.13Å; N254-F257 VanDerWaalsContact O-N 3.16Å; N254-R258 HydrophobicContact CB-CG 4.5Å; N254-R258 WeakPolarHBondContact O-CB 3.16Å; N254-R258 WeakPolarHBondContact O-CG 3.32Å; N254-R258 PolarHBondContact O-N 2.94Å; N254-R258 WeakPolarHBondContact OD1-CD 3.19Å; N254-R258 PolarHBondContact OD1-NH1 3.33Å
255E98.4Very high97.7Very high7 Ų732.9 Ų32.93%0.03318%0.184CC..Hα-helixtrans-58.2-27.5174.3-54.777.8-161.400111.3L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 3.92Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.86Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; L195-E255 HydrophobicContact CD2-CB 4.41Å; L195-E255 HydrophobicContact CD2-CG 4.34Å; R198-E255 WeakPolarHBondContact CD-OE1 3.33Å; R198-E255 IonicContact NH1-OE1 3.24Å; R198-E255 PolarHBondContact NH1-OE1 3.47Å; R198-E255 IonicContact NH1-OE2 3.49Å; R198-E255 PolarHBondContact NH1-OE2 3.01Å; I252-E255 HydrophobicContact CG2-CB 4.1Å; G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.29Å; G253-E255 WeakPolarHBondContact CA-OE2 3.35Å; G253-E255 PolarHBondContact N-OE2 3.35Å; G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.15Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 3.46Å; E255-C259 VanDerWaalsContact O-CB 3.27Å; E255-C259 WeakPolarHBondContact O-CB 3.37Å; E255-C259 PolarHBondContact O-N 3.14Å; E255-C259 VanDerWaalsContact O-N 3.1Å
256R98.7Very high97.9Very high30 Ų3027.9 Ų27.911%0.11315%0.152CC..Hα-helixtrans-57.2-39.8177.5-64.3177.666.1-137.2-11.1112.9L218 C219 Y220 L238 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.45Å; L218-R256 VanDerWaalsContact O-CZ 3.3Å; L218-R256 PolarHBondContact O-NE 2.66Å; L218-R256 PolarHBondContact O-NH2 2.95Å; C219-R256 CarbonylContact C-O 3.52Å; C219-R256 WeakPolarHBondContact CA-O 3.38Å; C219-R256 WeakPolarHBondContact CB-O 3.45Å; C219-R256 PolarHBondContact SG-O 3.3Å; C219-R256 VanDerWaalsContact SG-O 3.37Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.79Å; Y220-R256 PolarHBondContact N-O 2.99Å; L238-R256 PolarHBondContact O-NH1 2.75Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.12Å; G253-R256 WeakPolarHBondContact O-CB 3.49Å; G253-R256 WeakPolarHBondContact O-CG 3.49Å; G253-R256 PolarHBondContact O-N 2.96Å; G253-R256 VanDerWaalsContact O-N 3.16Å; N254-R256 PolarHBondContact O-N 3.5Å; N254-R256 VanDerWaalsContact O-N 3.12Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å
257F98.7Very high98.1Very high0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-109.7-22.7179.963.4-94.4000113.6Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD2-CB 4.41Å; Y220-F257 HydrophobicContact CE1-CB 4.23Å; Y220-F257 HydrophobicContact CE1-CD1 4.29Å; Y220-F257 HydrophobicContact CE2-CB 4.04Å; Y220-F257 AromaticContact CZ-CD1 3.86Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.48Å; Y220-F257 WeakPolarHBondContact O-CB 3.4Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.48Å; A222-F257 HydrophobicContact CB-CB 4.23Å; A222-F257 HydrophobicContact CB-CD2 4.34Å; A222-F257 HydrophobicContact CB-CG 4.48Å; F225-F257 AromaticContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CE2 4.24Å; F225-F257 AromaticContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CE2 4Å; E228-F257 HydrophobicContact CB-CD2 4.09Å; E228-F257 HydrophobicContact CB-CE1 4.46Å; E228-F257 HydrophobicContact CB-CE2 3.83Å; E228-F257 HydrophobicContact CB-CZ 4.02Å; E228-F257 HydrophobicContact CG-CD1 3.68Å; E228-F257 HydrophobicContact CG-CD2 3.85Å; E228-F257 HydrophobicContact CG-CE1 3.61Å; E228-F257 HydrophobicContact CG-CE2 3.79Å; E228-F257 HydrophobicContact CG-CG 3.79Å; E228-F257 HydrophobicContact CG-CZ 3.68Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.35Å; M229-F257 HydrophobicContact SD-CE2 3.56Å; M229-F257 VanDerWaalsContact SD-CE2 3.56Å; M229-F257 HydrophobicContact SD-CZ 3.82Å; A232-F257 HydrophobicContact CB-CE1 4.01Å; A232-F257 HydrophobicContact CB-CZ 3.88Å; L238-F257 HydrophobicContact CD1-CE1 4.05Å; N254-F257 VanDerWaalsContact CA-CE1 3.5Å; 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 3.13Å; N254-F257 VanDerWaalsContact O-N 3.16Å; E255-F257 VanDerWaalsContact C-N 3.31Å; E255-F257 PolarHBondContact O-N 3.46Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.03Å; F257-P260 WeakPolarHBondContact O-CD 3.24Å; F257-E261 WeakPolarHBondContact O-CB 3.23Å; F257-E261 PolarHBondContact O-N 2.93Å
258R98.5Very high98Very high47 Ų4727.6 Ų27.618%0.17714%0.144CC..Hα-helixtrans-61.9-39169.9-75.4173.667.6-156.6-3.1112.6Y190 I194 E197 F225 M229 N254 E261Y190-R258 WeakPolarHBondContact CE1-O 3.48Å; I194-R258 HydrophobicContact CD1-CB 4.16Å; E197-R258 IonicContact OE2-CZ 3.41Å; E197-R258 IonicContact OE2-NH1 2.79Å; E197-R258 IonicContact OE2-NH2 3.69Å; E197-R258 PolarHBondContact OE2-NH2 3.21Å; F225-R258 HydrophobicContact CE2-CG 3.95Å; F225-R258 HydrophobicContact CZ-CG 4.07Å; M229-R258 HydrophobicContact SD-CG 3.88Å; N254-R258 HydrophobicContact CB-CG 4.5Å; N254-R258 WeakPolarHBondContact O-CB 3.16Å; N254-R258 WeakPolarHBondContact O-CG 3.32Å; N254-R258 PolarHBondContact O-N 2.94Å; N254-R258 WeakPolarHBondContact OD1-CD 3.19Å; N254-R258 PolarHBondContact OD1-NH1 3.33Å; R258-E261 WeakPolarHBondContact O-CB 3.15Å; R258-E261 PolarHBondContact O-N 2.78Å
259C98.8Very high98Very high0 Ų025.5 Ų25.50%014%0.136CC..Hα-helixtrans-57.6-61.5179.8170.90000112.3L187 L191 I194 E255 F257 E261 T262L187-C259 PolarHBondContact O-SG 3.1Å; L191-C259 HydrophobicContact CB-CB 4.34Å; L191-C259 HydrophobicContact CD1-CB 4.03Å; I194-C259 HydrophobicContact CD1-CB 4.12Å; E255-C259 VanDerWaalsContact O-CB 3.27Å; E255-C259 WeakPolarHBondContact O-CB 3.37Å; E255-C259 PolarHBondContact O-N 3.14Å; E255-C259 VanDerWaalsContact O-N 3.1Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.03Å; C259-E261 PolarHBondContact O-N 2.93Å; C259-T262 WeakPolarHBondContact O-CG2 3.13Å; C259-T262 PolarHBondContact O-N 3.01Å; C259-T262 PolarHBondContact O-OG1 3.06Å
260P98.7Very high97.9Very high0 Ų024.6 Ų24.60%014%0.144CC..Hα-helixtrans-70.9-15.5-179.329.7-36.9000113.9C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.46Å; Y220-P260 WeakPolarHBondContact O-CG 3.39Å; V221-P260 HydrophobicContact CG2-CB 3.85Å; V221-P260 HydrophobicContact CG2-CG 4.24Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å; F257-P260 WeakPolarHBondContact O-CD 3.24Å; P260-T262 PolarHBondContact O-N 3.32Å; P260-T262 VanDerWaalsContact O-N 3.16Å; P260-L263 WeakPolarHBondContact O-CB 3.42Å; P260-L263 PolarHBondContact O-N 3.32Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.83Å; P260-Y308 HydrophobicContact CB-CE1 4.28Å; P260-Y308 HydrophobicContact CB-CE2 3.7Å; P260-Y308 HydrophobicContact CB-CG 4.17Å
261E98.7Very high97.8Very high0 Ų026.5 Ų26.50%015%0.153CC..Hα-helixtrans-57.8-27.7173.4-17262-15800112.1F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.4Å; F225-E261 HydrophobicContact CD1-CG 4.38Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.43Å; F225-E261 VanDerWaalsContact CD2-CG 3.43Å; F225-E261 HydrophobicContact CE2-CB 3.83Å; F225-E261 HydrophobicContact CE2-CG 3.71Å; F225-E261 HydrophobicContact CG-CG 3.8Å; F225-E261 HydrophobicContact CZ-CG 4.29Å; F257-E261 WeakPolarHBondContact O-CB 3.23Å; F257-E261 PolarHBondContact O-N 2.93Å; R258-E261 WeakPolarHBondContact O-CB 3.15Å; R258-E261 PolarHBondContact O-N 2.78Å; C259-E261 PolarHBondContact O-N 2.93Å; E261-L263 PolarHBondContact O-N 2.7Å; E261-L263 VanDerWaalsContact O-N 3.1Å; E261-F264 CarbonylContact O-C 3.57Å; E261-F264 WeakPolarHBondContact O-CA 3.34Å; E261-F264 WeakPolarHBondContact O-CB 3.4Å; E261-F264 PolarHBondContact O-N 3.43Å; E261-Q265 PolarHBondContact O-N 3.14Å; E261-F268 HydrophobicContact CB-CD2 4.47Å; E261-F268 HydrophobicContact CB-CE2 4.29Å; E261-F268 HydrophobicContact CG-CD2 4.27Å; E261-F268 HydrophobicContact CG-CE2 3.77Å; E261-R314 IonicContact OE1-CZ 3.64Å; E261-R314 IonicContact OE1-NH1 2.75Å; E261-R314 PolarHBondContact OE1-NH1 2.82Å; E261-R314 IonicContact OE1-NH2 3.66Å; E261-R314 PolarHBondContact OE1-NH2 2.65Å; E261-R314 IonicContact OE2-CZ 3.4Å; E261-R314 IonicContact OE2-NH1 3.91Å; E261-R314 PolarHBondContact OE2-NH1 2.95Å; E261-R314 IonicContact OE2-NH2 2.72Å
262T98.4Very high97.7Very high0 Ų034 Ų340%019%0.186CC..THydrogen-bonded Turntrans-58.1-24.6175.858.90000113.5L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 VanDerWaalsContact CD2-O 3.24Å; L182-T262 WeakPolarHBondContact CD2-O 3.33Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.28Å; Y190-T262 HydrophobicContact CD1-CG2 3.36Å; Y190-T262 HydrophobicContact CE1-CG2 3.3Å; Y190-T262 HydrophobicContact CG-CG2 4.11Å; C259-T262 WeakPolarHBondContact O-CG2 3.13Å; C259-T262 PolarHBondContact O-N 3.01Å; C259-T262 PolarHBondContact O-OG1 3.06Å; P260-T262 PolarHBondContact O-N 3.32Å; P260-T262 VanDerWaalsContact O-N 3.16Å; T262-F264 PolarHBondContact O-N 3.35Å; T262-Q265 CarbonylContact O-C 3.59Å; T262-Q265 VanDerWaalsContact O-C 3.29Å; T262-P266 VanDerWaalsContact O-CA 3.3Å; T262-P266 WeakPolarHBondContact O-CA 3.36Å; T262-P266 WeakPolarHBondContact O-CD 2.84Å; T262-P266 VanDerWaalsContact O-N 3.08Å; T262-F268 HydrophobicContact CG2-CB 3.89Å; T262-I269 HydrophobicContact CG2-CG2 3.67Å
263L98.7Very high97.6Very high0 Ų036.9 Ų36.90%021%0.205CC..THydrogen-bonded Turntrans-64.2-32.5171.2-65.2172.2000111.8L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.28Å; L187-L263 HydrophobicContact CD1-CD1 4.13Å; L187-L263 HydrophobicContact CD1-CD2 4.22Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CD2 4.47Å; L187-L263 HydrophobicContact CD2-CG 4.33Å; P260-L263 WeakPolarHBondContact O-CB 3.42Å; P260-L263 PolarHBondContact O-N 3.32Å; E261-L263 PolarHBondContact O-N 2.7Å; E261-L263 VanDerWaalsContact O-N 3.1Å; L263-G275 CarbonylContact O-C 3.52Å; L263-G275 VanDerWaalsContact O-CA 3.26Å; L263-G275 WeakPolarHBondContact O-CA 3.1Å; L263-I276 HydrophobicContact CB-CD1 3.94Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.23Å; L263-I276 HydrophobicContact CD1-CD1 4.43Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 PolarHBondContact O-N 3.25Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.07Å; L263-Y308 HydrophobicContact CD1-CD2 4.37Å; L263-Y308 HydrophobicContact CD1-CE2 4.3Å; L263-I311 HydrophobicContact CD1-CD1 4.26Å
264F98.7Very high97.6Very high4 Ų438.1 Ų38.12%0.01822%0.216CC..THydrogen-bonded Turntrans-92.2-32.5178.3-63.4-94.4000111.5V221 E261 T262 G275 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CD2 4.4Å; V221-F264 HydrophobicContact CG1-CE2 3.63Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; E261-F264 CarbonylContact O-C 3.57Å; E261-F264 WeakPolarHBondContact O-CA 3.34Å; E261-F264 WeakPolarHBondContact O-CB 3.4Å; E261-F264 PolarHBondContact O-N 3.43Å; T262-F264 PolarHBondContact O-N 3.35Å; F264-G275 WeakPolarHBondContact O-CA 3.39Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.16Å; F264-I276 HydrophobicContact CE1-CG1 4.05Å; F264-I276 HydrophobicContact CE2-CD1 3.95Å; F264-I276 HydrophobicContact CE2-CG1 4.39Å; F264-I276 HydrophobicContact CZ-CD1 3.72Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; F264-H277 HydrophobicContact CD1-CB 4.33Å; F264-H277 AromaticContact CD1-CG 3.98Å; F264-H277 AromaticContact CD1-ND1 3.37Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.41Å; F264-H277 HydrophobicContact CE1-CB 4.34Å; F264-H277 PolarHBondContact O-CE1 3.16Å; F264-I311 HydrophobicContact CE2-CG1 4.36Å; F264-I311 HydrophobicContact CZ-CG1 4.11Å; F264-R314 HydrophobicContact CD1-CG 3.91Å; F264-R314 HydrophobicContact CE1-CB 4.19Å; F264-R314 HydrophobicContact CE1-CG 3.38Å; F264-R314 HydrophobicContact CE2-CG 4.07Å; F264-R314 HydrophobicContact CG-CG 4.49Å; F264-R314 HydrophobicContact CZ-CB 3.94Å; F264-R314 HydrophobicContact CZ-CG 3.47Å; F264-R314 VanDerWaalsContact CZ-CG 3.47Å; F264-M315 HydrophobicContact CE1-CG 4.33Å; F264-M315 HydrophobicContact CE1-SD 3.79Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.12Å; F264-E318 HydrophobicContact CD1-CG 4.38Å; F264-E318 HydrophobicContact CE1-CG 4.47Å
265Q98Very high97.6Very high68 Ų6836.5 Ų36.532%0.31821%0.207SC..  trans-128.976.9179.1-62.4-171.3-13.800111.4E261 T262 S267 F268E261-Q265 PolarHBondContact O-N 3.14Å; T262-Q265 CarbonylContact O-C 3.59Å; T262-Q265 VanDerWaalsContact O-C 3.29Å; Q265-S267 PolarHBondContact O-N 2.73Å; Q265-F268 HydrophobicContact CB-CD1 4.36Å; Q265-F268 HydrophobicContact CB-CD2 4.47Å; Q265-F268 HydrophobicContact CB-CE1 4.41Å; Q265-F268 HydrophobicContact CB-CG 4.41Å; Q265-F268 WeakPolarHBondContact O-CB 3.38Å; Q265-F268 PolarHBondContact O-N 2.85Å; Q265-F268 VanDerWaalsContact O-N 3.08Å
266P98.4Very high97.6Very high3 Ų336.2 Ų36.22%0.01921%0.206CC..G310 helixtrans-55.7-22.5179.2-32.639.6000116.1L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 4.27Å; L182-P266 HydrophobicContact CD2-CG 4.12Å; T262-P266 VanDerWaalsContact O-CA 3.3Å; T262-P266 WeakPolarHBondContact O-CA 3.36Å; T262-P266 WeakPolarHBondContact O-CD 2.84Å; T262-P266 VanDerWaalsContact O-N 3.08Å; P266-F268 PolarHBondContact O-N 3.35Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.36Å; P266-I269 PolarHBondContact O-N 3.17Å; P266-M271 CarbonylContact C-O 3.15Å; P266-M271 VanDerWaalsContact C-O 3.28Å; P266-M271 HydrophobicContact CB-CB 4Å; P266-M271 HydrophobicContact CB-CE 3.48Å; P266-M271 VanDerWaalsContact CB-CE 3.48Å; P266-M271 HydrophobicContact CB-CG 4.35Å; P266-M271 HydrophobicContact CG-CE 3.98Å; P266-M271 PolarHBondContact O-N 3.12Å; P266-M271 VanDerWaalsContact O-N 3.15Å; P266-S273 WeakPolarHBondContact CG-O 3.41Å
267S97.3Very high97.6Very high83 Ų8335.5 Ų35.558%0.5820%0.204SC*.G310 helixtrans-59-23.3176.258.50000113.3Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 2.73Å; S267-I269 PolarHBondContact O-N 3.06Å; S267-G270 PolarHBondContact O-N 3.34Å; S267-M271 PolarHBondContact N-O 2.98Å
268F94.7Very high97.6Very high69 Ų6939.4 Ų39.430%0.30322%0.222SC..G310 helixtrans-62.2-23.2175.2-78.27.2000113.7F225 E261 T262 Q265 P266F225-F268 AromaticContact CE1-CE2 3.87Å; F225-F268 HydrophobicContact CE1-CE2 3.87Å; F225-F268 AromaticContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.63Å; F225-F268 HydrophobicContact CZ-CE2 3.63Å; F225-F268 HydrophobicContact CZ-CZ 4.02Å; E261-F268 HydrophobicContact CB-CD2 4.47Å; E261-F268 HydrophobicContact CB-CE2 4.29Å; E261-F268 HydrophobicContact CG-CD2 4.27Å; E261-F268 HydrophobicContact CG-CE2 3.77Å; T262-F268 HydrophobicContact CG2-CB 3.89Å; Q265-F268 HydrophobicContact CB-CD1 4.36Å; Q265-F268 HydrophobicContact CB-CD2 4.47Å; Q265-F268 HydrophobicContact CB-CE1 4.41Å; Q265-F268 HydrophobicContact CB-CG 4.41Å; Q265-F268 WeakPolarHBondContact O-CB 3.38Å; Q265-F268 PolarHBondContact O-N 2.85Å; Q265-F268 VanDerWaalsContact O-N 3.08Å; P266-F268 PolarHBondContact O-N 3.35Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I96.3Very high97.6Very high59 Ų5937.5 Ų37.530%0.30322%0.216SC..G310 helixtrans-107.413.4173.159.5168.3000112.4L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.56Å; L182-I269 HydrophobicContact CD2-CD1 4.19Å; L182-I269 HydrophobicContact CG-CD1 4.39Å; Y190-I269 HydrophobicContact CD1-CG2 4.16Å; Y190-I269 HydrophobicContact CD2-CG2 3.51Å; Y190-I269 HydrophobicContact CE2-CG2 4.05Å; Y190-I269 HydrophobicContact CG-CG2 3.56Å; T262-I269 HydrophobicContact CG2-CG2 3.67Å; P266-I269 WeakPolarHBondContact O-CG1 3.36Å; P266-I269 PolarHBondContact O-N 3.17Å; S267-I269 PolarHBondContact O-N 3.06Å; I269-M271 VanDerWaalsContact C-N 3.31Å; I269-M271 HydrophobicContact CD1-CB 4.5Å; I269-M271 HydrophobicContact CG1-CB 4.18Å
270G95.9Very high97.6Very high67 Ų6737.6 Ų37.669%0.69122%0.216SC*.THydrogen-bonded Turntrans75.916.2-178.900000114.1S267S267-G270 PolarHBondContact O-N 3.34Å
271M95.7Very high97.6Very high41 Ų4140.4 Ų40.420%0.20223%0.227CC..  trans-92.3120.2176.8-173.7168.666.600110.7L180 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 3.52Å; L180-M271 HydrophobicContact CD1-SD 4.27Å; L180-M271 HydrophobicContact CD2-CE 4.32Å; L180-M271 HydrophobicContact CG-CE 3.97Å; L182-M271 HydrophobicContact CB-CE 3.4Å; L182-M271 VanDerWaalsContact CB-CE 3.4Å; L182-M271 HydrophobicContact CB-SD 4.36Å; L182-M271 HydrophobicContact CD2-CE 3.54Å; L182-M271 HydrophobicContact CG-CE 4.06Å; P266-M271 CarbonylContact C-O 3.15Å; P266-M271 VanDerWaalsContact C-O 3.28Å; P266-M271 HydrophobicContact CB-CB 4Å; P266-M271 HydrophobicContact CB-CE 3.48Å; P266-M271 VanDerWaalsContact CB-CE 3.48Å; P266-M271 HydrophobicContact CB-CG 4.35Å; P266-M271 HydrophobicContact CG-CE 3.98Å; P266-M271 PolarHBondContact O-N 3.12Å; P266-M271 VanDerWaalsContact O-N 3.15Å; S267-M271 PolarHBondContact N-O 2.98Å; I269-M271 VanDerWaalsContact C-N 3.31Å; I269-M271 HydrophobicContact CD1-CB 4.5Å; I269-M271 HydrophobicContact CG1-CB 4.18Å; M271-S273 VanDerWaalsContact C-N 3.32Å; M271-S273 PolarHBondContact O-N 3.42Å
272E95.1Very high97.6Very high198 Ų19843.1 Ų43.193%0.92524%0.242SC*.  trans-81.278.3174-65.9-174.8176.600110
273S95.8Very high97.6Very high59 Ų5943.1 Ų43.141%0.41324%0.242SC..SBendtrans-148.9153.7177.8-68.90000110.9P266 M271P266-S273 WeakPolarHBondContact CG-O 3.41Å; M271-S273 VanDerWaalsContact C-N 3.32Å; M271-S273 PolarHBondContact O-N 3.42Å
274A97.9Very high97.6Very high29 Ų2943.1 Ų43.124%0.2424%0.242CC..  trans-67.3148173.100000111E278 T279A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 VanDerWaalsContact CB-OE2 3.31Å; A274-E278 WeakPolarHBondContact CB-OE2 3.4Å; A274-T279 HydrophobicContact CB-CG2 3.89Å
275G98.5Very high97.6Very high2 Ų245.3 Ų45.32%0.02125%0.253CS..  trans-67.9171.9176.100000113.6L263 F264 H277 E278 T279L263-G275 CarbonylContact O-C 3.52Å; L263-G275 VanDerWaalsContact O-CA 3.26Å; L263-G275 WeakPolarHBondContact O-CA 3.1Å; F264-G275 WeakPolarHBondContact O-CA 3.39Å; G275-H277 VanDerWaalsContact C-N 3.31Å; G275-H277 PolarHBondContact O-N 3.28Å; G275-E278 PolarHBondContact O-N 2.91Å; G275-T279 WeakPolarHBondContact O-CG2 3.43Å; G275-T279 PolarHBondContact O-N 3.45Å; G275-T279 PolarHBondContact O-OG1 3.02Å
276I98.7Very high97.6Very high2 Ų247 Ų471%0.0126%0.259CS..Hα-helixtrans-59.2-40.3-178.256.1168.9000112.6L155 T162 L180 L263 F264 T279 T280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.21Å; L155-I276 HydrophobicContact CD1-CG2 4.33Å; L155-I276 HydrophobicContact CD2-CB 4.35Å; L155-I276 HydrophobicContact CD2-CD1 3.98Å; T162-I276 HydrophobicContact CG2-CG2 3.92Å; L180-I276 HydrophobicContact CD2-CG2 4.3Å; L263-I276 HydrophobicContact CB-CD1 3.94Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.23Å; L263-I276 HydrophobicContact CD1-CD1 4.43Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 PolarHBondContact O-N 3.25Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.16Å; F264-I276 HydrophobicContact CE1-CG1 4.05Å; F264-I276 HydrophobicContact CE2-CD1 3.95Å; F264-I276 HydrophobicContact CE2-CG1 4.39Å; F264-I276 HydrophobicContact CZ-CD1 3.72Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; I276-T279 VanDerWaalsContact CA-OG1 3.3Å; I276-T279 WeakPolarHBondContact CA-OG1 3.26Å; I276-T279 PolarHBondContact O-N 2.88Å; I276-T279 PolarHBondContact O-OG1 3.05Å; I276-T280 PolarHBondContact O-N 3.1Å; I276-T280 PolarHBondContact O-OG1 3.13Å; I276-I311 HydrophobicContact CD1-CD1 4.09Å; I276-I311 HydrophobicContact CD1-CG1 4.47Å; I276-M315 HydrophobicContact CD1-SD 3.77Å; I276-M315 HydrophobicContact CG1-SD 3.8Å
277H98.6Very high97.6Very high15 Ų1547 Ų477%0.06926%0.259CS..Hα-helixtrans-63.9-46.4177.161.3-67.3000112.8F264 G275 T280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.33Å; F264-H277 AromaticContact CD1-CG 3.98Å; F264-H277 AromaticContact CD1-ND1 3.37Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.41Å; F264-H277 HydrophobicContact CE1-CB 4.34Å; F264-H277 PolarHBondContact O-CE1 3.16Å; G275-H277 VanDerWaalsContact C-N 3.31Å; G275-H277 PolarHBondContact O-N 3.28Å; H277-T280 PolarHBondContact O-N 2.77Å; H277-Y281 PolarHBondContact O-N 2.84Å; H277-M315 HydrophobicContact CB-CE 4.43Å; H277-M315 HydrophobicContact CB-SD 3.89Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.26Å
278E98.5Very high97.6Very high81 Ų8148.6 Ų48.638%0.37926%0.261SS..Hα-helixtrans-66.7-40.8175.7-77.6178.4-151.500111.8A274 G275 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 VanDerWaalsContact CB-OE2 3.31Å; A274-E278 WeakPolarHBondContact CB-OE2 3.4Å; G275-E278 PolarHBondContact O-N 2.91Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.28Å; E278-N282 PolarHBondContact O-N 3.41Å; E278-N282 PolarHBondContact O-ND2 3.45Å; E278-N282 VanDerWaalsContact O-ND2 3.11Å; E278-L322 HydrophobicContact CG-CD1 4.07Å
279T98.5Very high97.6Very high8 Ų851.1 Ų51.15%0.04928%0.276CS..Hα-helixtrans-68-34.417752.10000112.2N164 M178 A274 G275 I276 S283N164-T279 PolarHBondContact ND2-OG1 2.93Å; M178-T279 HydrophobicContact CE-CG2 4.31Å; M178-T279 WeakPolarHBondContact CG-O 3.42Å; A274-T279 HydrophobicContact CB-CG2 3.89Å; G275-T279 WeakPolarHBondContact O-CG2 3.43Å; G275-T279 PolarHBondContact O-N 3.45Å; G275-T279 PolarHBondContact O-OG1 3.02Å; I276-T279 VanDerWaalsContact CA-OG1 3.3Å; I276-T279 WeakPolarHBondContact CA-OG1 3.26Å; I276-T279 PolarHBondContact O-N 2.88Å; I276-T279 PolarHBondContact O-OG1 3.05Å; T279-S283 VanDerWaalsContact O-CB 3.29Å; T279-S283 WeakPolarHBondContact O-CB 3.3Å; T279-S283 PolarHBondContact O-N 2.81Å
280T98.8Very high97.7Very high1 Ų155 Ų551%0.00630%0.298CS..Hα-helixtrans-61.3-50.6168.6-52.60000110.7I153 N164 I276 H277 N282 S283 I284 N299 M315 I319I153-T280 HydrophobicContact CD1-CG2 3.89Å; I153-T280 HydrophobicContact CG1-CG2 4.46Å; I153-T280 HydrophobicContact CG2-CG2 4.16Å; N164-T280 PolarHBondContact ND2-N 2.89Å; N164-T280 WeakPolarHBondContact OD1-CA 3.38Å; N164-T280 WeakPolarHBondContact OD1-CB 3.21Å; N164-T280 PolarHBondContact OD1-OG1 2.8Å; I276-T280 PolarHBondContact O-N 3.1Å; I276-T280 PolarHBondContact O-OG1 3.13Å; H277-T280 PolarHBondContact O-N 2.77Å; T280-N282 PolarHBondContact O-N 3.12Å; T280-S283 WeakPolarHBondContact O-CB 3.36Å; T280-S283 PolarHBondContact O-N 3.26Å; T280-I284 HydrophobicContact CG2-CD1 4.38Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.39Å; T280-I284 VanDerWaalsContact O-N 3.09Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.48Å; T280-M315 WeakPolarHBondContact OG1-CE 3.09Å; T280-I319 HydrophobicContact CG2-CD1 3.73Å
281Y98.5Very high97.7Very high59 Ų5952.7 Ų52.723%0.23127%0.269CS..Hα-helixtrans-57.7-48.1177.1168.1-97.1000112.3H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 2.84Å; E278-Y281 PolarHBondContact O-N 2.87Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 3.37Å; Y281-I284 PolarHBondContact O-N 3.06Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; Y281-M285 HydrophobicContact CD1-CG 4.23Å; Y281-M285 HydrophobicContact CD2-CE 4.43Å; Y281-M285 HydrophobicContact CD2-CG 4.27Å; Y281-M285 HydrophobicContact CE1-CG 3.71Å; Y281-M285 HydrophobicContact CE2-CE 3.73Å; Y281-M285 HydrophobicContact CE2-CG 3.77Å; Y281-M285 HydrophobicContact CE2-SD 4.27Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.45Å; Y281-M285 WeakPolarHBondContact O-CG 3.34Å; Y281-M285 PolarHBondContact O-N 3.13Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.43Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.43Å; Y281-L322 HydrophobicContact CD2-CB 3.75Å; Y281-L322 HydrophobicContact CE2-CB 4.17Å; Y281-L322 VanDerWaalsContact CE2-O 3.28Å; Y281-L322 WeakPolarHBondContact CE2-O 3.14Å; Y281-L322 HydrophobicContact CG-CB 3.97Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å
282N98.6Very high97.8Very high58 Ų5853.4 Ų53.431%0.3127%0.27SS..Hα-helixtrans-62.5-37.6179.7-72.3-28.6000111.8M178 E278 T280 M285 K286M178-N282 HydrophobicContact CE-CB 4.33Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.28Å; E278-N282 PolarHBondContact O-N 3.41Å; E278-N282 PolarHBondContact O-ND2 3.45Å; E278-N282 VanDerWaalsContact O-ND2 3.11Å; T280-N282 PolarHBondContact O-N 3.12Å; N282-M285 PolarHBondContact O-N 2.93Å; N282-K286 WeakPolarHBondContact O-CG 3.45Å; N282-K286 PolarHBondContact O-N 3.14Å
283S98.7Very high98Very high0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-61-47.4173.3-178.70000111.5I153 P166 A176 T279 T280 Y281 M285 K286 C287I153-S283 WeakPolarHBondContact CD1-OG 3.21Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.27Å; P166-S283 WeakPolarHBondContact CG-OG 3.41Å; A176-S283 WeakPolarHBondContact O-CB 3.16Å; A176-S283 PolarHBondContact O-OG 2.91Å; T279-S283 VanDerWaalsContact O-CB 3.29Å; T279-S283 WeakPolarHBondContact O-CB 3.3Å; T279-S283 PolarHBondContact O-N 2.81Å; T280-S283 WeakPolarHBondContact O-CB 3.36Å; T280-S283 PolarHBondContact O-N 3.26Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 3.37Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.15Å; S283-K286 PolarHBondContact O-N 3.02Å; S283-C287 PolarHBondContact O-N 3.42Å; S283-C287 PolarHBondContact O-SG 3.27Å
284I98.6Very high98.1Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-63.4-38.8175.9-61.4171.8000111.1I153 T280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.39Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.12Å; I153-I284 HydrophobicContact CG2-CG1 4.37Å; T280-I284 HydrophobicContact CG2-CD1 4.38Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.39Å; T280-I284 VanDerWaalsContact O-N 3.09Å; Y281-I284 PolarHBondContact O-N 3.06Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3.08Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.03Å; I284-C287 PolarHBondContact O-N 2.8Å; I284-C287 VanDerWaalsContact O-N 3.08Å; I284-R292 HydrophobicContact CG2-CB 3.84Å; I284-R292 HydrophobicContact CG2-CG 3.85Å; I284-R292 PolarHBondContact O-NE 3.21Å; I284-L295 HydrophobicContact CD1-CB 4.32Å; I284-L295 HydrophobicContact CG1-CB 4.05Å; I284-L295 HydrophobicContact CG1-CD1 4.4Å; I284-L295 HydrophobicContact CG2-CB 4.25Å; I284-L295 HydrophobicContact CG2-CD1 4.31Å; I284-Y296 HydrophobicContact CB-CE1 4.41Å; I284-Y296 HydrophobicContact CD1-CD1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.42Å; I284-Y296 HydrophobicContact CD1-CE1 3.44Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.44Å; I284-Y296 HydrophobicContact CD1-CG 4.11Å; I284-Y296 HydrophobicContact CG2-CD1 4.46Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.64Å; I284-Y296 HydrophobicContact CG2-CG 4.43Å
285M97.9Very high98.1Very high49 Ų4949.8 Ų49.824%0.24124%0.242CC..Hα-helixtrans-68.3-22.6178.1-76-62.9129.400114Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.23Å; Y281-M285 HydrophobicContact CD2-CE 4.43Å; Y281-M285 HydrophobicContact CD2-CG 4.27Å; Y281-M285 HydrophobicContact CE1-CG 3.71Å; Y281-M285 HydrophobicContact CE2-CE 3.73Å; Y281-M285 HydrophobicContact CE2-CG 3.77Å; Y281-M285 HydrophobicContact CE2-SD 4.27Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 VanDerWaalsContact CZ-CG 3.45Å; Y281-M285 WeakPolarHBondContact O-CG 3.34Å; Y281-M285 PolarHBondContact O-N 3.13Å; N282-M285 PolarHBondContact O-N 2.93Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.15Å; M285-C287 VanDerWaalsContact C-N 3.3Å; M285-R292 PolarHBondContact O-NH2 3.09Å; M285-R292 PolarHBondContact SD-NH1 3.45Å; M285-Y296 HydrophobicContact CE-CE2 4.13Å; M285-Y296 WeakPolarHBondContact CE-OH 3.45Å
286K98.4Very high98.1Very high105 Ų10549.7 Ų49.746%0.45724%0.241SC..Hα-helixtrans-78.2-15.3171.4-73.9176.9177.5-175.20113.2A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.69Å; M178-K286 HydrophobicContact SD-CD 4.2Å; M178-K286 PolarHBondContact SD-NZ 2.79Å; N282-K286 WeakPolarHBondContact O-CG 3.45Å; N282-K286 PolarHBondContact O-N 3.14Å; S283-K286 PolarHBondContact O-N 3.02Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3.08Å
287C98.2Very high98.1Very high1 Ų151 Ų511%0.00725%0.252CS..SBendtrans-83.6159.1177.9-60.70000111.8P166 L173 A176 S283 I284 M285 I291 R292 L295P166-C287 VanDerWaalsContact CB-SG 3.58Å; L173-C287 HydrophobicContact CD1-CB 4.49Å; A176-C287 VanDerWaalsContact CB-SG 3.58Å; S283-C287 PolarHBondContact O-N 3.42Å; S283-C287 PolarHBondContact O-SG 3.27Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.03Å; I284-C287 PolarHBondContact O-N 2.8Å; I284-C287 VanDerWaalsContact O-N 3.08Å; M285-C287 VanDerWaalsContact C-N 3.3Å; C287-I291 HydrophobicContact CB-CD1 3.93Å; C287-I291 HydrophobicContact CB-CG1 4.07Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.44Å; C287-R292 PolarHBondContact O-NH2 2.85Å; C287-L295 HydrophobicContact CB-CD1 3.73Å; C287-L295 VanDerWaalsContact SG-CD1 3.55Å
288D97.2Very high98Very high117 Ų11751.8 Ų51.863%0.62626%0.256SS*.  trans-59.6143.3175.5-69.6-40.5000112.1D290 I291 R292D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 VanDerWaalsContact O-N 3.14Å; D288-I291 HydrophobicContact CB-CG1 4.49Å; D288-I291 VanDerWaalsContact O-CG1 3.28Å; D288-I291 WeakPolarHBondContact O-CG1 3.29Å; D288-I291 PolarHBondContact O-N 2.83Å; D288-R292 WeakPolarHBondContact O-CG 3.15Å; D288-R292 PolarHBondContact O-N 3.45Å
289I96.4Very high98Very high122 Ų12248.3 Ų48.363%0.62624%0.24SC*.Hα-helixtrans-56.2-34.8-173.8-167.1168.3000112.9I291 R292I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 2.89Å; I289-R292 PolarHBondContact O-N 3.01Å
290D96.5Very high98.1Very high141 Ų14148 Ų4875%0.75424%0.238SC*.Hα-helixtrans-67.3-28.6-174.9-64.6-23.2000112.7D288D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 VanDerWaalsContact O-N 3.14Å
291I97.4Very high98.1Very high18 Ų1848.1 Ų48.19%0.09224%0.239CC..Hα-helixtrans-97.1-14.9-17867.3166000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 4.1Å; Y168-I291 HydrophobicContact CD2-CD1 4.45Å; Y168-I291 HydrophobicContact CD2-CG2 3.6Å; Y168-I291 HydrophobicContact CE2-CB 4.29Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CG2 4.3Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å; C287-I291 HydrophobicContact CB-CD1 3.93Å; C287-I291 HydrophobicContact CB-CG1 4.07Å; D288-I291 HydrophobicContact CB-CG1 4.49Å; D288-I291 VanDerWaalsContact O-CG1 3.28Å; D288-I291 WeakPolarHBondContact O-CG1 3.29Å; D288-I291 PolarHBondContact O-N 2.83Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 2.89Å; I291-K293 PolarHBondContact O-N 3.27Å; I291-D294 PolarHBondContact O-N 3.32Å; I291-L295 HydrophobicContact CD1-CD1 4.17Å; I291-L295 HydrophobicContact CG1-CD1 4.25Å; I291-L295 WeakPolarHBondContact O-CG 3.19Å; I291-L295 PolarHBondContact O-N 3.01Å; I291-L295 VanDerWaalsContact O-N 3.08Å
292R98.2Very high98.1Very high56 Ų5645.3 Ų45.321%0.21123%0.228CC..Hα-helixtrans-57.8-36.4-175.3-63.6-175-170.1178.20.6113.1I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.84Å; I284-R292 HydrophobicContact CG2-CG 3.85Å; I284-R292 PolarHBondContact O-NE 3.21Å; M285-R292 PolarHBondContact O-NH2 3.09Å; M285-R292 PolarHBondContact SD-NH1 3.45Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.44Å; C287-R292 PolarHBondContact O-NH2 2.85Å; D288-R292 WeakPolarHBondContact O-CG 3.15Å; D288-R292 PolarHBondContact O-N 3.45Å; I289-R292 PolarHBondContact O-N 3.01Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.08Å; R292-L295 PolarHBondContact O-N 3.05Å; R292-Y296 HydrophobicContact CB-CD2 4.34Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.21Å; R292-Y296 WeakPolarHBondContact O-CD2 3.5Å; R292-Y296 PolarHBondContact O-N 3.29Å
293K97.8Very high98Very high142 Ų14242.9 Ų42.962%0.61722%0.217SC*.Hα-helixtrans-58.2-44.1177.2178.3-176.4171-170.40111.2I291 A297 M327I291-K293 PolarHBondContact O-N 3.27Å; K293-A297 WeakPolarHBondContact O-CB 3.3Å; K293-A297 PolarHBondContact O-N 2.88Å; K293-M327 HydrophobicContact CB-SD 4.14Å
294D97.8Very high98Very high69 Ų6945 Ų4537%0.36924%0.239SC..Hα-helixtrans-73.5-35.8-179.5-63.7-35.1000111.7T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.85Å; I291-D294 PolarHBondContact O-N 3.32Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.08Å; D294-A297 PolarHBondContact O-N 3.43Å; D294-N298 WeakPolarHBondContact O-CB 3.32Å; D294-N298 PolarHBondContact O-N 3.41Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.06Å
295L98.4Very high98Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-62.5-47.1173.1-59.8-179.4000111.2T151 G152 P166 I284 C287 I291 R292 A297 N298 N299T151-L295 HydrophobicContact CG2-CD2 4.5Å; G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.31Å; G152-L295 WeakPolarHBondContact O-CD2 3.42Å; P166-L295 HydrophobicContact CB-CD1 4.08Å; P166-L295 HydrophobicContact CB-CD2 4.34Å; I284-L295 HydrophobicContact CD1-CB 4.32Å; I284-L295 HydrophobicContact CG1-CB 4.05Å; I284-L295 HydrophobicContact CG1-CD1 4.4Å; I284-L295 HydrophobicContact CG2-CB 4.25Å; I284-L295 HydrophobicContact CG2-CD1 4.31Å; C287-L295 HydrophobicContact CB-CD1 3.73Å; C287-L295 VanDerWaalsContact SG-CD1 3.55Å; I291-L295 HydrophobicContact CD1-CD1 4.17Å; I291-L295 HydrophobicContact CG1-CD1 4.25Å; I291-L295 WeakPolarHBondContact O-CG 3.19Å; I291-L295 PolarHBondContact O-N 3.01Å; I291-L295 VanDerWaalsContact O-N 3.08Å; R292-L295 PolarHBondContact O-N 3.05Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.17Å; L295-N298 CarbonylContact O-C 3.49Å; L295-N298 PolarHBondContact O-N 2.93Å; L295-N298 VanDerWaalsContact O-N 3.13Å; L295-N299 PolarHBondContact O-ND2 2.78Å
296Y98.4Very high98Very high0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-63-34.5176-80.7-52.3000113.6Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 WeakPolarHBondContact CD2-OH 3.43Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.43Å; I284-Y296 HydrophobicContact CB-CE1 4.41Å; I284-Y296 HydrophobicContact CD1-CD1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.42Å; I284-Y296 HydrophobicContact CD1-CE1 3.44Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.44Å; I284-Y296 HydrophobicContact CD1-CG 4.11Å; I284-Y296 HydrophobicContact CG2-CD1 4.46Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.64Å; I284-Y296 HydrophobicContact CG2-CG 4.43Å; M285-Y296 HydrophobicContact CE-CE2 4.13Å; M285-Y296 WeakPolarHBondContact CE-OH 3.45Å; R292-Y296 HydrophobicContact CB-CD2 4.34Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.21Å; R292-Y296 WeakPolarHBondContact O-CD2 3.5Å; R292-Y296 PolarHBondContact O-N 3.29Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 2.96Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.4Å; Y296-N299 PolarHBondContact O-ND2 3.14Å; Y296-I319 HydrophobicContact CD1-CG2 4.01Å; Y296-I319 HydrophobicContact CE1-CG2 3.94Å; Y296-A323 HydrophobicContact CD1-CB 4.24Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.3Å; Y296-M327 HydrophobicContact CD2-CB 3.91Å; Y296-M327 HydrophobicContact CD2-CG 3.67Å; Y296-M327 HydrophobicContact CD2-SD 4Å; Y296-M327 HydrophobicContact CE2-CB 4.42Å; Y296-M327 HydrophobicContact CE2-CG 3.94Å; Y296-M327 HydrophobicContact CG-CB 4.3Å; Y296-K328 CarbonylContact C-O 3.55Å; Y296-I329 HydrophobicContact CD1-CD1 3.33Å; Y296-I329 HydrophobicContact CD2-CD1 4.46Å; Y296-I329 HydrophobicContact CE1-CD1 4.05Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Y296-I329 WeakPolarHBondContact O-CA 3.37Å; Y296-K330 PolarHBondContact O-N 3.43Å
297A98Very high98Very high29 Ų2941.4 Ų41.424%0.2423%0.225CC..Hα-helixtrans-78-9.3177.200000113.6K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.3Å; K293-A297 PolarHBondContact O-N 2.88Å; D294-A297 PolarHBondContact O-N 3.43Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.17Å; A297-K330 WeakPolarHBondContact O-CB 3.41Å
298N98.2Very high98Very high31 Ų3142.2 Ų42.217%0.16623%0.227CC..  trans-138.961.7-175.2-62-64.8000112R149 G152 I153 D294 L295 Y296 V300 I332R149-N298 WeakPolarHBondContact CD-OD1 3.27Å; R149-N298 PolarHBondContact NE-OD1 2.87Å; G152-N298 WeakPolarHBondContact CA-O 3.49Å; I153-N298 PolarHBondContact N-O 3.47Å; D294-N298 WeakPolarHBondContact O-CB 3.32Å; D294-N298 PolarHBondContact O-N 3.41Å; D294-N298 VanDerWaalsContact O-N 3.14Å; D294-N298 PolarHBondContact O-ND2 3.06Å; L295-N298 CarbonylContact O-C 3.49Å; L295-N298 PolarHBondContact O-N 2.93Å; L295-N298 VanDerWaalsContact O-N 3.13Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 2.96Å; N298-V300 PolarHBondContact O-N 3.44Å; N298-I332 HydrophobicContact CB-CD1 4.31Å
299N98.6Very high98.1Very high9 Ų940.7 Ų40.75%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-85.9100.4172-67.6-99.5000109.3I153 T280 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.15Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.22Å; I153-N299 CarbonylContact O-C 3.29Å; I153-N299 WeakPolarHBondContact O-CA 3.46Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.48Å; L295-N299 PolarHBondContact O-ND2 2.78Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.4Å; Y296-N299 PolarHBondContact O-ND2 3.14Å; N299-K330 PolarHBondContact N-O 2.67Å; N299-K330 VanDerWaalsContact N-O 3.12Å; N299-I331 HydrophobicContact CB-CD1 3.64Å; N299-I331 CarbonylContact O-C 3.55Å; N299-I332 PolarHBondContact O-N 3.42Å
300V98.8Very high98.2Very high0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-94129.5-178.1179.10000110.3L144 I153 V154 L155 N298 I332L144-V300 HydrophobicContact CD1-CB 4.4Å; L144-V300 HydrophobicContact CD1-CG2 3.75Å; I153-V300 PolarHBondContact O-N 2.82Å; V154-V300 CarbonylContact C-O 3.54Å; V154-V300 VanDerWaalsContact CA-O 3.28Å; V154-V300 WeakPolarHBondContact CA-O 3.22Å; V154-V300 HydrophobicContact CG2-CB 4.2Å; L155-V300 PolarHBondContact N-O 3.31Å; N298-V300 PolarHBondContact O-N 3.44Å; V300-I332 CarbonylContact C-O 3.28Å; V300-I332 WeakPolarHBondContact CA-O 3.35Å; V300-I332 HydrophobicContact CG2-CB 4.11Å; V300-I332 HydrophobicContact CG2-CD1 3.88Å; V300-I332 HydrophobicContact CG2-CG2 4.3Å
301M98.7Very high98.3Very high4 Ų429.6 Ų29.62%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-94.4133.9174.4-59.9-167.574.100110.5L155 T306 I311 A312 M315 I331 I332 A333 R337L155-M301 HydrophobicContact CD2-CE 3.99Å; M301-T306 HydrophobicContact CB-CG2 4.4Å; M301-T306 HydrophobicContact CE-CG2 3.8Å; M301-I311 HydrophobicContact CE-CB 4.29Å; M301-I311 HydrophobicContact CE-CD1 3.74Å; M301-I311 HydrophobicContact CE-CG1 3.78Å; M301-I311 HydrophobicContact CE-CG2 3.6Å; M301-I311 HydrophobicContact SD-CG2 4.12Å; M301-A312 HydrophobicContact SD-CB 4.08Å; M301-M315 HydrophobicContact CE-CG 4.48Å; M301-I331 HydrophobicContact CG-CG2 3.94Å; M301-I331 HydrophobicContact SD-CG2 3.82Å; M301-I332 PolarHBondContact N-O 3.4Å; M301-A333 HydrophobicContact CB-CB 4.24Å; M301-A333 HydrophobicContact CG-CB 4.32Å; M301-A333 HydrophobicContact SD-CB 4.03Å; M301-R337 WeakPolarHBondContact O-CB 3.39Å
302S98.6Very high98.4Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-139155.6178.4-171.90000111.8S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact CB-OG 3.48Å; S143-S302 WeakPolarHBondContact OG-CB 3.34Å; S143-S302 PolarHBondContact OG-OG 3.4Å; L155-S302 PolarHBondContact O-N 3.43Å; D156-S302 WeakPolarHBondContact CA-O 3.47Å; S157-S302 PolarHBondContact N-O 2.95Å; S302-T306 WeakPolarHBondContact O-CG2 3.34Å; S302-T306 PolarHBondContact O-OG1 3.44Å
303G98.1Very high98.4Very high8 Ų832.5 Ų32.58%0.08220%0.196CC..SBendtrans90.9158.217400000114.1S157 T305 T306 R337S157-G303 CarbonylContact O-C 3.34Å; S157-G303 WeakPolarHBondContact O-CA 3.3Å; G303-T305 VanDerWaalsContact C-N 3.35Å; G303-T305 PolarHBondContact O-N 2.88Å; G303-T306 PolarHBondContact O-N 2.86Å; G303-T306 VanDerWaalsContact O-N 3.16Å; G303-T306 PolarHBondContact O-OG1 3.18Å; G303-R337 PolarHBondContact N-O 3.29Å
304G97.6Very high98.5Very high44 Ų4426.2 Ų26.245%0.45417%0.169SC..G310 helixtrans-63.1-34.3-170.200000114.6S157 T306 M307S157-G304 PolarHBondContact O-N 3.46Å; G304-T306 PolarHBondContact O-N 3.28Å; G304-M307 WeakPolarHBondContact O-CB 3.3Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.41Å; G304-M307 PolarHBondContact O-N 2.82Å
305T98.5Very high98.5Very high11 Ų1123.1 Ų23.17%0.06715%0.152CC..G310 helixtrans-70.7-21.4179.8-66.20000111.9S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.1Å; S157-T305 PolarHBondContact O-N 2.88Å; S157-T305 VanDerWaalsContact OG-CB 3.24Å; S157-T305 WeakPolarHBondContact OG-CB 3.31Å; S157-T305 VanDerWaalsContact OG-CG2 3.24Å; S157-T305 WeakPolarHBondContact OG-CG2 3.34Å; G158-T305 PolarHBondContact O-OG1 3.18Å; G184-T305 WeakPolarHBondContact CA-OG1 3.39Å; G184-T305 PolarHBondContact N-OG1 3.41Å; L187-T305 HydrophobicContact CD1-CG2 3.74Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.07Å; G303-T305 VanDerWaalsContact C-N 3.35Å; G303-T305 PolarHBondContact O-N 2.88Å; T305-M307 PolarHBondContact O-N 3.46Å; T305-Y308 HydrophobicContact CG2-CE2 4.22Å; T305-Y308 WeakPolarHBondContact O-CD2 3.49Å
306T98.7Very high98.5Very high1 Ų126 Ų261%0.00617%0.165CC..G310 helixtrans-77.72.117274.70000113.7M301 S302 G303 G304 Y308 I311 R337M301-T306 HydrophobicContact CB-CG2 4.4Å; M301-T306 HydrophobicContact CE-CG2 3.8Å; S302-T306 WeakPolarHBondContact O-CG2 3.34Å; S302-T306 PolarHBondContact O-OG1 3.44Å; G303-T306 PolarHBondContact O-N 2.86Å; G303-T306 VanDerWaalsContact O-N 3.16Å; G303-T306 PolarHBondContact O-OG1 3.18Å; G304-T306 PolarHBondContact O-N 3.28Å; T306-Y308 VanDerWaalsContact C-N 3.3Å; T306-Y308 PolarHBondContact O-N 2.92Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.18Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 3.22Å; T306-R337 PolarHBondContact O-NH2 2.94Å; T306-R337 WeakPolarHBondContact OG1-CD 3.45Å; T306-R337 PolarHBondContact OG1-NE 2.79Å
307M98.5Very high98.5Very high67 Ų6729.8 Ų29.833%0.3318%0.182SC..G310 helixtrans-79.8-6.8-179.2-64.6-63.3-63.500114G304 T305 P335 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.3Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.41Å; G304-M307 PolarHBondContact O-N 2.82Å; T305-M307 PolarHBondContact O-N 3.46Å; M307-P335 WeakPolarHBondContact CE-O 3.37Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.37Å; M307-K338 HydrophobicContact CE-CG 4.43Å; M307-K338 HydrophobicContact CG-CB 3.99Å; M307-K338 HydrophobicContact SD-CB 3.94Å; M307-K338 HydrophobicContact SD-CG 4.28Å
308Y98.6Very high98.6Very high17 Ų1730.1 Ų30.17%0.06718%0.178CC..SBendtrans-56.1133.3178.1-72.9-61.2000112.3L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.68Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.28Å; K215-Y308 VanDerWaalsContact CD-OH 3.24Å; K215-Y308 WeakPolarHBondContact CD-OH 3.35Å; K215-Y308 HydrophobicContact CG-CE1 4.29Å; K215-Y308 WeakPolarHBondContact CG-OH 3.24Å; C219-Y308 HydrophobicContact CB-CD1 4.1Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å; V221-Y308 HydrophobicContact CG2-CD2 4.46Å; V221-Y308 HydrophobicContact CG2-CG 4.38Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.83Å; P260-Y308 HydrophobicContact CB-CE1 4.28Å; P260-Y308 HydrophobicContact CB-CE2 3.7Å; P260-Y308 HydrophobicContact CB-CG 4.17Å; L263-Y308 HydrophobicContact CD1-CD2 4.37Å; L263-Y308 HydrophobicContact CD1-CE2 4.3Å; T305-Y308 HydrophobicContact CG2-CE2 4.22Å; T305-Y308 WeakPolarHBondContact O-CD2 3.49Å; T306-Y308 VanDerWaalsContact C-N 3.3Å; T306-Y308 PolarHBondContact O-N 2.92Å; Y308-G310 PolarHBondContact O-N 3.18Å; Y308-I311 WeakPolarHBondContact O-CG2 3.32Å; Y308-I311 PolarHBondContact O-N 3.09Å
309P98.7Very high98.6Very high86 Ų8628.7 Ų28.756%0.55817%0.171SC*.THydrogen-bonded Turntrans-56.1140.2166.6-2333.7000110.8V221 I311V221-P309 PolarHBondContact N-O 3.16Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 PolarHBondContact O-N 3.22Å
310G98.6Very high98.6Very high28 Ų2831.8 Ų31.829%0.28919%0.19SC..THydrogen-bonded Turntrans81.5-10.6177.800000116.1Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 3.18Å; G310-A312 VanDerWaalsContact C-N 3.34Å; G310-A312 PolarHBondContact O-N 3.35Å; G310-D313 PolarHBondContact O-N 3.4Å; G310-R314 PolarHBondContact O-N 3.29Å
311I98.8Very high98.5Very high2 Ų235.7 Ų35.71%0.0122%0.222CC..Hα-helixtrans-64.2-38-176.6-164.9171.6000112.7V221 L263 F264 I276 M301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.22Å; V221-I311 HydrophobicContact CG2-CB 3.87Å; V221-I311 HydrophobicContact CG2-CD1 4.45Å; V221-I311 HydrophobicContact CG2-CG1 4.04Å; L263-I311 HydrophobicContact CD1-CD1 4.26Å; F264-I311 HydrophobicContact CE2-CG1 4.36Å; F264-I311 HydrophobicContact CZ-CG1 4.11Å; I276-I311 HydrophobicContact CD1-CD1 4.09Å; I276-I311 HydrophobicContact CD1-CG1 4.47Å; M301-I311 HydrophobicContact CE-CB 4.29Å; M301-I311 HydrophobicContact CE-CD1 3.74Å; M301-I311 HydrophobicContact CE-CG1 3.78Å; M301-I311 HydrophobicContact CE-CG2 3.6Å; M301-I311 HydrophobicContact SD-CG2 4.12Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.18Å; Y308-I311 WeakPolarHBondContact O-CG2 3.32Å; Y308-I311 PolarHBondContact O-N 3.09Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 PolarHBondContact O-N 3.22Å; I311-R314 PolarHBondContact O-N 3.46Å; I311-M315 HydrophobicContact CG1-CG 4.42Å; I311-M315 WeakPolarHBondContact O-CB 3.37Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.05Å; I311-M315 PolarHBondContact O-N 2.88Å
312A98.7Very high98.5Very high26 Ų2638.6 Ų38.622%0.21524%0.238CC..Hα-helixtrans-66.2-41.2179.200000111.3M301 G310 M315 Q316 I331 A333M301-A312 HydrophobicContact SD-CB 4.08Å; G310-A312 VanDerWaalsContact C-N 3.34Å; G310-A312 PolarHBondContact O-N 3.35Å; A312-M315 PolarHBondContact O-N 3.08Å; A312-Q316 WeakPolarHBondContact O-CB 3.47Å; A312-Q316 PolarHBondContact O-N 3.37Å; A312-I331 HydrophobicContact CB-CG2 3.98Å; A312-A333 HydrophobicContact CB-CB 3.99Å
313D98.7Very high98.4Very high108 Ų10839.1 Ų39.158%0.57824%0.242SC*.Hα-helixtrans-67.7-41.3177.8-58.4-51.7000111.4L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.2Å; G310-D313 PolarHBondContact O-N 3.4Å; D313-Q316 WeakPolarHBondContact O-CB 3.27Å; D313-Q316 PolarHBondContact O-N 3.49Å; D313-K317 PolarHBondContact O-N 2.76Å
314R98.8Very high98.3Very high11 Ų1141.5 Ų41.54%0.04226%0.256CS..Hα-helixtrans-62.6-47.7173.8-175.464.8176.5-72.5-9111.2V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.5Å; V221-R314 HydrophobicContact CG1-CG 3.7Å; A222-R314 WeakPolarHBondContact O-CD 3.42Å; A222-R314 PolarHBondContact O-NH1 2.9Å; L223-R314 WeakPolarHBondContact O-CD 3.42Å; E261-R314 IonicContact OE1-CZ 3.64Å; E261-R314 IonicContact OE1-NH1 2.75Å; E261-R314 PolarHBondContact OE1-NH1 2.82Å; E261-R314 IonicContact OE1-NH2 3.66Å; E261-R314 PolarHBondContact OE1-NH2 2.65Å; E261-R314 IonicContact OE2-CZ 3.4Å; E261-R314 IonicContact OE2-NH1 3.91Å; E261-R314 PolarHBondContact OE2-NH1 2.95Å; E261-R314 IonicContact OE2-NH2 2.72Å; F264-R314 HydrophobicContact CD1-CG 3.91Å; F264-R314 HydrophobicContact CE1-CB 4.19Å; F264-R314 HydrophobicContact CE1-CG 3.38Å; F264-R314 HydrophobicContact CE2-CG 4.07Å; F264-R314 HydrophobicContact CG-CG 4.49Å; F264-R314 HydrophobicContact CZ-CB 3.94Å; F264-R314 HydrophobicContact CZ-CG 3.47Å; F264-R314 VanDerWaalsContact CZ-CG 3.47Å; G310-R314 PolarHBondContact O-N 3.29Å; I311-R314 PolarHBondContact O-N 3.46Å; R314-Q316 VanDerWaalsContact C-N 3.3Å; R314-Q316 PolarHBondContact O-N 3.33Å; R314-K317 PolarHBondContact O-N 3.42Å; R314-E318 HydrophobicContact CG-CG 4.29Å; R314-E318 IonicContact CZ-OE1 2.77Å; R314-E318 IonicContact NE-OE1 3.29Å; R314-E318 PolarHBondContact NE-OE1 2.88Å; R314-E318 IonicContact NH2-OE1 3.25Å; R314-E318 PolarHBondContact NH2-OE1 3.45Å; R314-E318 WeakPolarHBondContact O-CG 3.17Å; R314-E318 PolarHBondContact O-N 3.21Å
315M98.7Very high98.1Very high4 Ų445.4 Ų45.42%0.0228%0.276CS..Hα-helixtrans-58.6-41.2175-75-64.1-67.500112.3L155 F264 I276 H277 T280 M301 I311 A312 E318 I319 I331L155-M315 HydrophobicContact CD2-CE 3.78Å; L155-M315 HydrophobicContact CD2-SD 4.23Å; F264-M315 HydrophobicContact CE1-CG 4.33Å; F264-M315 HydrophobicContact CE1-SD 3.79Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.12Å; I276-M315 HydrophobicContact CD1-SD 3.77Å; I276-M315 HydrophobicContact CG1-SD 3.8Å; H277-M315 HydrophobicContact CB-CE 4.43Å; H277-M315 HydrophobicContact CB-SD 3.89Å; T280-M315 WeakPolarHBondContact OG1-CE 3.09Å; M301-M315 HydrophobicContact CE-CG 4.48Å; I311-M315 HydrophobicContact CG1-CG 4.42Å; I311-M315 WeakPolarHBondContact O-CB 3.37Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.05Å; I311-M315 PolarHBondContact O-N 2.88Å; A312-M315 PolarHBondContact O-N 3.08Å; M315-E318 PolarHBondContact O-N 3.29Å; M315-I319 HydrophobicContact CE-CD1 3.59Å; M315-I319 HydrophobicContact CE-CG1 4.31Å; M315-I319 WeakPolarHBondContact O-CB 3.32Å; M315-I319 WeakPolarHBondContact O-CG1 3.49Å; M315-I319 PolarHBondContact O-N 3.02Å; M315-I331 HydrophobicContact CB-CD1 4.16Å; M315-I331 HydrophobicContact CB-CG1 4.21Å
316Q98.7Very high97.9Very high60 Ų6050.8 Ų50.828%0.2831%0.309SS..Hα-helixtrans-61.4-46.7176.5-177.469.362.700111.3A312 D313 R314 T320 I329 I331A312-Q316 WeakPolarHBondContact O-CB 3.47Å; A312-Q316 PolarHBondContact O-N 3.37Å; D313-Q316 WeakPolarHBondContact O-CB 3.27Å; D313-Q316 PolarHBondContact O-N 3.49Å; R314-Q316 VanDerWaalsContact C-N 3.3Å; R314-Q316 PolarHBondContact O-N 3.33Å; Q316-T320 PolarHBondContact NE2-OG1 2.81Å; Q316-T320 WeakPolarHBondContact O-CB 3.49Å; Q316-T320 PolarHBondContact O-N 3.03Å; Q316-T320 VanDerWaalsContact O-N 3.16Å; Q316-T320 PolarHBondContact O-OG1 3.41Å; Q316-I329 PolarHBondContact NE2-O 3.42Å; Q316-I329 PolarHBondContact OE1-O 3.2Å; Q316-I331 HydrophobicContact CB-CG1 3.76Å
317K98.7Very high97.8Very high80 Ų8053 Ų5335%0.34832%0.32SS..Hα-helixtrans-59-54.7175.5175.3-175.7167-175.70111.1L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.11Å; L223-K317 HydrophobicContact CD1-CD 3.91Å; L223-K317 HydrophobicContact CG-CD 4.18Å; L223-K317 WeakPolarHBondContact O-CD 3.31Å; L223-K317 PolarHBondContact O-NZ 3.48Å; D224-K317 IonicContact OD2-NZ 2.86Å; D224-K317 PolarHBondContact OD2-NZ 3.42Å; D313-K317 PolarHBondContact O-N 2.76Å; R314-K317 PolarHBondContact O-N 3.42Å; K317-T320 PolarHBondContact O-N 2.79Å; K317-A321 PolarHBondContact O-N 3.3Å; K317-A321 VanDerWaalsContact O-N 3.1Å
318E98.6Very high97.7Very high36 Ų3657.9 Ų57.917%0.16834%0.339CS..Hα-helixtrans-68.4-44.3-171.6-61.6-58.8173.400112.5F264 H277 R314 M315 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.38Å; F264-E318 HydrophobicContact CE1-CG 4.47Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.26Å; R314-E318 HydrophobicContact CG-CG 4.29Å; R314-E318 IonicContact CZ-OE1 2.77Å; R314-E318 IonicContact NE-OE1 3.29Å; R314-E318 PolarHBondContact NE-OE1 2.88Å; R314-E318 IonicContact NH2-OE1 3.25Å; R314-E318 PolarHBondContact NH2-OE1 3.45Å; R314-E318 WeakPolarHBondContact O-CG 3.17Å; R314-E318 PolarHBondContact O-N 3.21Å; M315-E318 PolarHBondContact O-N 3.29Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.79Å; E318-A321 PolarHBondContact O-N 3.16Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.35Å; E318-L322 VanDerWaalsContact O-N 3.11Å
319I98.4Very high97.7Very high0 Ų057.9 Ų57.90%034%0.34CS..Hα-helixtrans-65.9-36.3177.4-66176.7000110.8T280 Y296 M315 A321 L322 A323 I329 I331T280-I319 HydrophobicContact CG2-CD1 3.73Å; Y296-I319 HydrophobicContact CD1-CG2 4.01Å; Y296-I319 HydrophobicContact CE1-CG2 3.94Å; M315-I319 HydrophobicContact CE-CD1 3.59Å; M315-I319 HydrophobicContact CE-CG1 4.31Å; M315-I319 WeakPolarHBondContact O-CB 3.32Å; M315-I319 WeakPolarHBondContact O-CG1 3.49Å; M315-I319 PolarHBondContact O-N 3.02Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.8Å; I319-L322 PolarHBondContact O-N 2.95Å; I319-A323 WeakPolarHBondContact O-CB 3.45Å; I319-A323 PolarHBondContact O-N 3.49Å; I319-I329 HydrophobicContact CB-CG2 4.02Å; I319-I329 HydrophobicContact CG2-CD1 4.03Å; I319-I329 HydrophobicContact CG2-CG1 4.1Å; I319-I329 HydrophobicContact CG2-CG2 3.61Å; I319-I331 HydrophobicContact CD1-CD1 4.06Å
320T98.2Very high97.6Very high75 Ų7558.4 Ų58.446%0.4633%0.334SS..Hα-helixtrans-64.2-34.3176.2-58.90000112Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 2.81Å; Q316-T320 WeakPolarHBondContact O-CB 3.49Å; Q316-T320 PolarHBondContact O-N 3.03Å; Q316-T320 VanDerWaalsContact O-N 3.16Å; Q316-T320 PolarHBondContact O-OG1 3.41Å; K317-T320 PolarHBondContact O-N 2.79Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.79Å
321A98.2Very high97.6Very high81 Ų8158.3 Ų58.367%0.66933%0.326SS*.Hα-helixtrans-72.4-33.6176.500000113K317 E318 I319K317-A321 PolarHBondContact O-N 3.3Å; K317-A321 VanDerWaalsContact O-N 3.1Å; E318-A321 PolarHBondContact O-N 3.16Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.8Å
322L98Very high97.6Very high66 Ų6659.2 Ų59.235%0.34633%0.331SS..Hα-helixtrans-83.3-35.8179.9-66.8174.3000113.4E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.07Å; Y281-L322 HydrophobicContact CD2-CB 3.75Å; Y281-L322 HydrophobicContact CE2-CB 4.17Å; Y281-L322 VanDerWaalsContact CE2-O 3.28Å; Y281-L322 WeakPolarHBondContact CE2-O 3.14Å; Y281-L322 HydrophobicContact CG-CB 3.97Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.35Å; E318-L322 VanDerWaalsContact O-N 3.11Å; I319-L322 PolarHBondContact O-N 2.95Å
323A97Very high97.6Very high10 Ų1059.6 Ų59.68%0.08333%0.334CS..SBendtrans-74.1154.6-174.900000112.6Y296 I319 S325 M327 I329Y296-A323 HydrophobicContact CD1-CB 4.24Å; Y296-A323 HydrophobicContact CE1-CB 3.65Å; Y296-A323 HydrophobicContact CE2-CB 4.3Å; I319-A323 WeakPolarHBondContact O-CB 3.45Å; I319-A323 PolarHBondContact O-N 3.49Å; A323-S325 PolarHBondContact O-N 2.86Å; A323-M327 HydrophobicContact CB-CB 4.48Å; A323-I329 HydrophobicContact CB-CD1 3.67Å; A323-I329 HydrophobicContact CB-CG1 4.26Å
324P95.2Very high97.5Very high58 Ų5855.3 Ų55.338%0.37731%0.312SS..  trans-55.3138.4170.6-22.832.8000111.3T326 M327P324-T326 PolarHBondContact O-N 3.3Å; P324-M327 HydrophobicContact CB-CG 4.17Å; P324-M327 HydrophobicContact CG-CG 4.28Å; P324-M327 WeakPolarHBondContact O-CB 3.26Å; P324-M327 PolarHBondContact O-N 3.11Å
325S94.5Very high97.5Very high127 Ų12759.8 Ų59.889%0.88834%0.342SS*.THydrogen-bonded Turntrans-60.8-16.5-175.457.90000115A323 M327A323-S325 PolarHBondContact O-N 2.86Å; S325-M327 VanDerWaalsContact C-N 3.34Å
326T94.3Very high97.3Very high124 Ų12463.8 Ų63.876%0.76136%0.361SS*.THydrogen-bonded Turntrans-79.7-14.6174.253.90000113.4P324P324-T326 PolarHBondContact O-N 3.3Å
327M95.7Very high97.3Very high48 Ų4862.2 Ų62.224%0.23635%0.353CS..SBendtrans-84.6131.9-179.1-63.5-62.517300110.8K293 Y296 A323 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.14Å; Y296-M327 HydrophobicContact CD2-CB 3.91Å; Y296-M327 HydrophobicContact CD2-CG 3.67Å; Y296-M327 HydrophobicContact CD2-SD 4Å; Y296-M327 HydrophobicContact CE2-CB 4.42Å; Y296-M327 HydrophobicContact CE2-CG 3.94Å; Y296-M327 HydrophobicContact CG-CB 4.3Å; A323-M327 HydrophobicContact CB-CB 4.48Å; P324-M327 HydrophobicContact CB-CG 4.17Å; P324-M327 HydrophobicContact CG-CG 4.28Å; P324-M327 WeakPolarHBondContact O-CB 3.26Å; P324-M327 PolarHBondContact O-N 3.11Å; S325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 HydrophobicContact CB-CD1 4.05Å
328K96.2Very high97.2Very high169 Ų16962.5 Ų62.574%0.73535%0.354SS*.  trans-88.2113.5171.1-177.2177179.7176.90109.2Y296Y296-K328 CarbonylContact C-O 3.55Å
329I98.2Very high97.2Very high16 Ų1663.7 Ų63.78%0.08236%0.357CS..  trans-89.1130.9178.4-49.2-46.5000109.5Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.33Å; Y296-I329 HydrophobicContact CD2-CD1 4.46Å; Y296-I329 HydrophobicContact CE1-CD1 4.05Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Y296-I329 WeakPolarHBondContact O-CA 3.37Å; Q316-I329 PolarHBondContact NE2-O 3.42Å; Q316-I329 PolarHBondContact OE1-O 3.2Å; I319-I329 HydrophobicContact CB-CG2 4.02Å; I319-I329 HydrophobicContact CG2-CD1 4.03Å; I319-I329 HydrophobicContact CG2-CG1 4.1Å; I319-I329 HydrophobicContact CG2-CG2 3.61Å; A323-I329 HydrophobicContact CB-CD1 3.67Å; A323-I329 HydrophobicContact CB-CG1 4.26Å; M327-I329 HydrophobicContact CB-CD1 4.05Å; I329-I331 HydrophobicContact CG2-CD1 4.26Å
330K98.4Very high97.2Very high98 Ų9863.8 Ų63.843%0.42636%0.358SS..  trans-135.9118.4172.5177.9-176.7179.4-177.40110.2Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 3.43Å; A297-K330 WeakPolarHBondContact O-CB 3.41Å; N299-K330 PolarHBondContact N-O 2.67Å; N299-K330 VanDerWaalsContact N-O 3.12Å; K330-I332 HydrophobicContact CD-CG1 4.38Å; K330-I332 HydrophobicContact CG-CG1 4.24Å
331I98.6Very high97.2Very high26 Ų2660.6 Ų60.613%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-87.4134.1169.1-49.9-51.7000109.6N299 M301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.64Å; N299-I331 CarbonylContact O-C 3.55Å; M301-I331 HydrophobicContact CG-CG2 3.94Å; M301-I331 HydrophobicContact SD-CG2 3.82Å; A312-I331 HydrophobicContact CB-CG2 3.98Å; M315-I331 HydrophobicContact CB-CD1 4.16Å; M315-I331 HydrophobicContact CB-CG1 4.21Å; Q316-I331 HydrophobicContact CB-CG1 3.76Å; I319-I331 HydrophobicContact CD1-CD1 4.06Å; I329-I331 HydrophobicContact CG2-CD1 4.26Å
332I98.6Very high97.2Very high21 Ų2156.7 Ų56.711%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-120.1107.1179.2-60.5153.6000106.7R149 N298 N299 V300 M301 K330 P334R149-I332 VanDerWaalsContact CZ-CD1 3.47Å; R149-I332 VanDerWaalsContact NE-CD1 3.31Å; N298-I332 HydrophobicContact CB-CD1 4.31Å; N299-I332 PolarHBondContact O-N 3.42Å; V300-I332 CarbonylContact C-O 3.28Å; V300-I332 WeakPolarHBondContact CA-O 3.35Å; V300-I332 HydrophobicContact CG2-CB 4.11Å; V300-I332 HydrophobicContact CG2-CD1 3.88Å; V300-I332 HydrophobicContact CG2-CG2 4.3Å; M301-I332 PolarHBondContact N-O 3.4Å; K330-I332 HydrophobicContact CD-CG1 4.38Å; K330-I332 HydrophobicContact CG-CG1 4.24Å; I332-P334 HydrophobicContact CG2-CG 4.34Å; I332-P334 WeakPolarHBondContact O-CD 3.5Å
333A98.2Very high97.2Very high33 Ų3355 Ų5527%0.27330%0.297SS..  trans-122.784.2-179.800000109.8M301 A312M301-A333 HydrophobicContact CB-CB 4.24Å; M301-A333 HydrophobicContact CG-CB 4.32Å; M301-A333 HydrophobicContact SD-CB 4.03Å; A312-A333 HydrophobicContact CB-CB 3.99Å
334P97.2Very high97.2Very high18 Ų1854.5 Ų54.512%0.11729%0.293CS..  trans-56.2143.4177.5-22.433.2000111.3I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.34Å; I332-P334 WeakPolarHBondContact O-CD 3.5Å; P334-E336 WeakPolarHBondContact CB-OE1 3.49Å; P334-E336 PolarHBondContact O-N 2.87Å; P334-R337 HydrophobicContact CB-CB 4.33Å; P334-R337 WeakPolarHBondContact O-CB 3.37Å; P334-R337 WeakPolarHBondContact O-CD 3.44Å; P334-R337 WeakPolarHBondContact O-CG 3.35Å; P334-R337 PolarHBondContact O-N 2.85Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 2.81Å
335P97Very high97.4Very high105 Ų10551.7 Ų51.768%0.68228%0.275SS*.THydrogen-bonded Turntrans-57.1-36.2178-26.134.6000113.5M307 R337M307-P335 WeakPolarHBondContact CE-O 3.37Å; P335-R337 VanDerWaalsContact C-N 3.3Å; P335-R337 PolarHBondContact O-N 2.81Å
336E95.9Very high97.5Very high89 Ų8945.8 Ų45.842%0.41623%0.234SC..THydrogen-bonded Turntrans-87.610.8-179.666.3-72.2164.700113.6P334 K338 Y339 I343P334-E336 WeakPolarHBondContact CB-OE1 3.49Å; P334-E336 PolarHBondContact O-N 2.87Å; E336-K338 PolarHBondContact O-N 2.81Å; E336-Y339 PolarHBondContact O-N 2.94Å; E336-I343 HydrophobicContact CB-CD1 4.29Å; E336-I343 HydrophobicContact CG-CD1 3.68Å
337R97.5Very high97.6Very high26 Ų2643.2 Ų43.210%0.09822%0.215CC..G310 helixtrans-57.8-18-172.167.8-171.3173.2-78.12.2116.7M301 G303 T306 M307 P334 P335 Y339 S340M301-R337 WeakPolarHBondContact O-CB 3.39Å; G303-R337 PolarHBondContact N-O 3.29Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 3.22Å; T306-R337 PolarHBondContact O-NH2 2.94Å; T306-R337 WeakPolarHBondContact OG1-CD 3.45Å; T306-R337 PolarHBondContact OG1-NE 2.79Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.37Å; P334-R337 HydrophobicContact CB-CB 4.33Å; P334-R337 WeakPolarHBondContact O-CB 3.37Å; P334-R337 WeakPolarHBondContact O-CD 3.44Å; P334-R337 WeakPolarHBondContact O-CG 3.35Å; P334-R337 PolarHBondContact O-N 2.85Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 2.81Å; P335-R337 VanDerWaalsContact C-N 3.3Å; P335-R337 PolarHBondContact O-N 2.81Å; R337-Y339 PolarHBondContact O-N 2.75Å; R337-S340 VanDerWaalsContact CA-OG 3.32Å; R337-S340 WeakPolarHBondContact CA-OG 3.41Å; R337-S340 PolarHBondContact O-N 3.35Å
338K97.2Very high97.5Very high86 Ų8642 Ų4237%0.37421%0.209SC..G310 helixtrans-60.4-19.9167.658.8166173.2167.60113.5K20 M307 E336K20-K338 WeakPolarHBondContact CE-O 3.19Å; M307-K338 HydrophobicContact CE-CG 4.43Å; M307-K338 HydrophobicContact CG-CB 3.99Å; M307-K338 HydrophobicContact SD-CB 3.94Å; M307-K338 HydrophobicContact SD-CG 4.28Å; E336-K338 PolarHBondContact O-N 2.81Å
339Y97.9Very high97.5Very high61 Ų6134 Ų3424%0.23918%0.175CC..G310 helixtrans-116.63.4-179.3-53-37.8000113K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CD-CD1 3.77Å; K20-Y339 HydrophobicContact CD-CE1 4.39Å; P29-Y339 HydrophobicContact CG-CD1 4.38Å; P29-Y339 HydrophobicContact CG-CG 4.46Å; V32-Y339 HydrophobicContact CG2-CE1 4.27Å; E336-Y339 PolarHBondContact O-N 2.94Å; R337-Y339 PolarHBondContact O-N 2.75Å; Y339-V341 VanDerWaalsContact C-N 3.25Å; Y339-V341 PolarHBondContact O-N 3.41Å; Y339-V341 VanDerWaalsContact O-N 3.17Å; Y339-W342 PolarHBondContact O-N 3.12Å; Y339-I343 WeakPolarHBondContact O-CG1 3.29Å; Y339-I343 PolarHBondContact O-N 3.36Å
340S98.3Very high97.3Very high2 Ų236.4 Ų36.41%0.01419%0.193CC..Hα-helixtrans-54.4-38.8-175.2-80.90000113.6A146 R337 I343 G344A146-S340 VanDerWaalsContact CB-O 3.26Å; A146-S340 WeakPolarHBondContact CB-O 3.35Å; R337-S340 VanDerWaalsContact CA-OG 3.32Å; R337-S340 WeakPolarHBondContact CA-OG 3.41Å; R337-S340 PolarHBondContact O-N 3.35Å; S340-I343 PolarHBondContact O-N 3.19Å; S340-G344 PolarHBondContact O-N 3.16Å
341V98.5Very high97Very high8 Ų835.4 Ų35.45%0.04819%0.192CC..Hα-helixtrans-57.1-52.3175.3177.10000111.2D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.16Å; D13-V341 VanDerWaalsContact OD1-CG1 3.29Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.39Å; T108-V341 HydrophobicContact CG2-CG1 3.77Å; Q139-V341 HydrophobicContact CB-CG1 3.93Å; Q139-V341 HydrophobicContact CB-CG2 3.92Å; Q139-V341 HydrophobicContact CG-CG1 3.82Å; Q139-V341 HydrophobicContact CG-CG2 4.44Å; L142-V341 WeakPolarHBondContact CB-O 3.37Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; S143-V341 WeakPolarHBondContact OG-CG2 3.45Å; Y339-V341 VanDerWaalsContact C-N 3.25Å; Y339-V341 PolarHBondContact O-N 3.41Å; Y339-V341 VanDerWaalsContact O-N 3.17Å; V341-G344 PolarHBondContact O-N 3.03Å; V341-G345 PolarHBondContact O-N 3.16Å
342W98.6Very high96.5Very high0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-67-42.4-178.2-176.191.5000111.2V11 D13 K20 D26 A28 P29 Y339 G344 G345 S346V11-W342 HydrophobicContact CG1-CG 4.25Å; V11-W342 PolarHBondContact O-NE1 3.32Å; D13-W342 HydrophobicContact CB-CB 4.23Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.3Å; K20-W342 HydrophobicContact CD-CB 4.45Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 WeakPolarHBondContact O-CH2 3.49Å; D26-W342 VanDerWaalsContact O-CZ3 3.31Å; D26-W342 WeakPolarHBondContact O-CZ3 3.38Å; A28-W342 VanDerWaalsContact CA-CZ3 3.48Å; A28-W342 WeakPolarHBondContact O-CH2 3.31Å; A28-W342 WeakPolarHBondContact O-CZ3 3.45Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.4Å; P29-W342 HydrophobicContact CG-CG 4.48Å; Y339-W342 PolarHBondContact O-N 3.12Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.1Å; W342-G345 PolarHBondContact O-N 3.34Å; W342-G345 VanDerWaalsContact O-N 3.15Å; W342-S346 PolarHBondContact O-N 2.84Å
343I98.2Very high96Very high29 Ų2943 Ų4315%0.14925%0.245CC..Hα-helixtrans-59.5-44.6176.2-67.1167.6000110.2A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.15Å; A146-I343 HydrophobicContact CB-CG2 3.91Å; E336-I343 HydrophobicContact CB-CD1 4.29Å; E336-I343 HydrophobicContact CG-CD1 3.68Å; Y339-I343 WeakPolarHBondContact O-CG1 3.29Å; Y339-I343 PolarHBondContact O-N 3.36Å; S340-I343 PolarHBondContact O-N 3.19Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.9Å; I343-S346 WeakPolarHBondContact O-CB 3.32Å; I343-S346 PolarHBondContact O-N 2.96Å; I343-I347 HydrophobicContact CG2-CD1 4.03Å; I343-I347 WeakPolarHBondContact O-CG1 3.06Å; I343-I347 PolarHBondContact O-N 3.48Å
344G97.8Very high95.7Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-62.5-39176.500000113L142 S340 V341 W342 L348L142-G344 VanDerWaalsContact O-CA 3.26Å; L142-G344 WeakPolarHBondContact O-CA 3.18Å; S340-G344 PolarHBondContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 3.03Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.1Å; G344-L348 VanDerWaalsContact O-CB 3.27Å; G344-L348 WeakPolarHBondContact O-CB 3.07Å; G344-L348 PolarHBondContact O-N 2.9Å
345G97.8Very high95.2Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-64.2-42.2172.200000112.6V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 3.16Å; W342-G345 PolarHBondContact O-N 3.34Å; W342-G345 VanDerWaalsContact O-N 3.15Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.9Å; G345-L348 PolarHBondContact O-N 3.44Å; G345-A349 VanDerWaalsContact O-CB 3.25Å; G345-A349 WeakPolarHBondContact O-CB 3.34Å; G345-A349 PolarHBondContact O-N 2.98Å
346S97.8Very high94.9Very high3 Ų347.6 Ų47.62%0.02125%0.25CC..Hα-helixtrans-60.8-47.4176.7-179.60000111.2G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-O 2.94Å; G25-S346 PolarHBondContact N-OG 2.88Å; D26-S346 PolarHBondContact N-OG 3.06Å; D26-S346 PolarHBondContact O-OG 3.37Å; W342-S346 PolarHBondContact O-N 2.84Å; I343-S346 WeakPolarHBondContact O-CB 3.32Å; I343-S346 PolarHBondContact O-N 2.96Å; S346-S350 VanDerWaalsContact O-CB 3.31Å; S346-S350 WeakPolarHBondContact O-CB 3.47Å; S346-S350 PolarHBondContact O-N 3.33Å; S346-S350 VanDerWaalsContact O-N 3.16Å; S346-S350 PolarHBondContact O-OG 3.29Å
347I95.6Very high94.8Very high69 Ų6946.8 Ų46.835%0.35425%0.247SC..Hα-helixtrans-60.3-55.6174.8-65.3171.4000109.9I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 4.03Å; I343-I347 WeakPolarHBondContact O-CG1 3.06Å; I343-I347 PolarHBondContact O-N 3.48Å; I347-A349 PolarHBondContact O-N 2.75Å; I347-S350 PolarHBondContact O-N 3.4Å; I347-S350 VanDerWaalsContact O-N 3.1Å; I347-S350 PolarHBondContact O-OG 2.94Å; I347-L351 WeakPolarHBondContact O-CG 3.29Å; I347-L351 PolarHBondContact O-N 3.23Å
348L95Very high94.7Very high22 Ų2246 Ų4612%0.11524%0.244CC..Hα-helixtrans-57.3-48.2-175.7-177.664.6000112.4L106 L142 Y145 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.21Å; L142-L348 HydrophobicContact CD2-CB 4.31Å; L142-L348 HydrophobicContact CD2-CD2 3.6Å; Y145-L348 HydrophobicContact CE2-CD1 4.23Å; Y145-L348 HydrophobicContact CE2-CD2 4.48Å; G344-L348 VanDerWaalsContact O-CB 3.27Å; G344-L348 WeakPolarHBondContact O-CB 3.07Å; G344-L348 PolarHBondContact O-N 2.9Å; G345-L348 PolarHBondContact O-N 3.44Å; L348-S350 PolarHBondContact O-N 2.72Å; L348-L351 HydrophobicContact CD1-CD1 4.43Å; L348-L351 PolarHBondContact O-N 2.61Å; L348-F354 HydrophobicContact CD1-CD2 3.59Å; L348-F354 HydrophobicContact CD1-CE2 3.97Å; L348-F354 HydrophobicContact CD1-CG 4.24Å; L348-F354 HydrophobicContact CD2-CD2 4.17Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.11Å; L348-F354 HydrophobicContact CG-CD2 3.62Å; L348-F354 HydrophobicContact CG-CE2 3.63Å; L348-F354 HydrophobicContact CG-CG 4.12Å; L348-F354 HydrophobicContact CG-CZ 4.12Å; L348-F354 WeakPolarHBondContact O-CB 3.47Å; L348-F354 WeakPolarHBondContact O-CG 3.48Å
349A95.6Very high94.8Very high3 Ų341.9 Ų41.93%0.02523%0.226CC..Hα-helixtrans-70.1-18-178.900000113.4A9 V11 A24 L106 G345 I347 W358A9-A349 HydrophobicContact CB-CB 4.16Å; V11-A349 HydrophobicContact CG2-CB 4.24Å; A24-A349 HydrophobicContact CB-CB 3.64Å; L106-A349 HydrophobicContact CD1-CB 4.27Å; G345-A349 VanDerWaalsContact O-CB 3.25Å; G345-A349 WeakPolarHBondContact O-CB 3.34Å; G345-A349 PolarHBondContact O-N 2.98Å; I347-A349 PolarHBondContact O-N 2.75Å; A349-W358 HydrophobicContact CB-CH2 4.36Å; A349-W358 HydrophobicContact CB-CZ2 4.14Å
350S93.5Very high94.8Very high66 Ų6641.6 Ų41.646%0.46223%0.231SC..Hα-helixtrans-86.1-1117572.90000113.9S346 I347 L348S346-S350 VanDerWaalsContact O-CB 3.31Å; S346-S350 WeakPolarHBondContact O-CB 3.47Å; S346-S350 PolarHBondContact O-N 3.33Å; S346-S350 VanDerWaalsContact O-N 3.16Å; S346-S350 PolarHBondContact O-OG 3.29Å; I347-S350 PolarHBondContact O-N 3.4Å; I347-S350 VanDerWaalsContact O-N 3.1Å; I347-S350 PolarHBondContact O-OG 2.94Å; L348-S350 PolarHBondContact O-N 2.72Å
351L91.9Very high94.7Very high76 Ų7644.4 Ų44.440%0.39824%0.243SC..  trans-75.2127.6179.3-62.9178.4000110.9I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.29Å; I347-L351 PolarHBondContact O-N 3.23Å; L348-L351 HydrophobicContact CD1-CD1 4.43Å; L348-L351 PolarHBondContact O-N 2.61Å; L351-T353 PolarHBondContact O-N 3.34Å; L351-F354 HydrophobicContact CB-CB 4.11Å; L351-F354 VanDerWaalsContact O-CB 3.26Å; L351-F354 WeakPolarHBondContact O-CB 3.36Å; L351-F354 PolarHBondContact O-N 3.34Å
352S89.4Confident94.7Very high99 Ų9950.2 Ų50.269%0.69227%0.269SS*.G310 helixtrans-59.2-31.9175.257.70000113.1F354 Q355S352-F354 PolarHBondContact O-N 3.16Å; S352-Q355 WeakPolarHBondContact O-CB 3.32Å; S352-Q355 WeakPolarHBondContact O-CG 3.34Å; S352-Q355 PolarHBondContact O-N 3.41Å
353T88Confident94.7Very high109 Ų10952.5 Ų52.567%0.66928%0.28SS*.G310 helixtrans-68.3-21.2174.751.60000113.2L351 Q355L351-T353 PolarHBondContact O-N 3.34Å; T353-Q355 VanDerWaalsContact C-N 3.31Å
354F90.2Very high94.7Very high10 Ų1051.6 Ų51.64%0.04428%0.275CS..G310 helixtrans-77.8-17177.5-173.4-105.2000112.6L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.25Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; Y135-F354 HydrophobicContact CD1-CE2 4.13Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.28Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.11Å; Y135-F354 HydrophobicContact CE1-CZ 4.08Å; Y135-F354 HydrophobicContact CE2-CE2 4.27Å; Y135-F354 HydrophobicContact CE2-CZ 4.34Å; Y135-F354 HydrophobicContact CG-CE1 4.46Å; Y135-F354 HydrophobicContact CG-CE2 4.22Å; Y135-F354 AromaticContact CG-CZ 3.52Å; Y135-F354 HydrophobicContact CG-CZ 3.52Å; L348-F354 HydrophobicContact CD1-CD2 3.59Å; L348-F354 HydrophobicContact CD1-CE2 3.97Å; L348-F354 HydrophobicContact CD1-CG 4.24Å; L348-F354 HydrophobicContact CD2-CD2 4.17Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.11Å; L348-F354 HydrophobicContact CG-CD2 3.62Å; L348-F354 HydrophobicContact CG-CE2 3.63Å; L348-F354 HydrophobicContact CG-CG 4.12Å; L348-F354 HydrophobicContact CG-CZ 4.12Å; L348-F354 WeakPolarHBondContact O-CB 3.47Å; L348-F354 WeakPolarHBondContact O-CG 3.48Å; L351-F354 HydrophobicContact CB-CB 4.11Å; L351-F354 VanDerWaalsContact O-CB 3.26Å; L351-F354 WeakPolarHBondContact O-CB 3.36Å; L351-F354 PolarHBondContact O-N 3.34Å; S352-F354 PolarHBondContact O-N 3.16Å; F354-Q356 PolarHBondContact O-N 3.1Å; F354-M357 HydrophobicContact CD2-CB 3.77Å; F354-M357 HydrophobicContact CD2-CG 3.93Å; F354-M357 HydrophobicContact CE2-CB 3.74Å; F354-M357 HydrophobicContact CE2-CG 4.26Å; F354-M357 HydrophobicContact CG-CB 4.38Å; F354-M357 HydrophobicContact CZ-CB 4.34Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.36Å; F354-M357 PolarHBondContact O-N 2.87Å; F354-W358 HydrophobicContact CD1-CD2 4.49Å; F354-W358 AromaticContact CD1-CE2 3.87Å; F354-W358 HydrophobicContact CD1-CZ2 4.01Å; F354-W358 AromaticContact CD1-NE1 3.95Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.62Å; F354-W358 HydrophobicContact CE1-CE3 4.26Å; F354-W358 AromaticContact CE1-CH2 3.95Å; F354-W358 HydrophobicContact CE1-CH2 3.95Å; F354-W358 AromaticContact CE1-CZ2 3.61Å; F354-W358 HydrophobicContact CE1-CZ2 3.61Å; F354-W358 HydrophobicContact CE1-CZ3 4.25Å
355Q87.2Confident94.7Very high75 Ų7556.6 Ų56.635%0.3530%0.301SS..G310 helixtrans-57.8-27.7-177.2-63.9-61.2-8.400113.6S352 T353 M357 W358S352-Q355 WeakPolarHBondContact O-CB 3.32Å; S352-Q355 WeakPolarHBondContact O-CG 3.34Å; S352-Q355 PolarHBondContact O-N 3.41Å; T353-Q355 VanDerWaalsContact C-N 3.31Å; Q355-M357 VanDerWaalsContact C-N 3.33Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.27Å
356Q90.4Very high94.7Very high166 Ų16663.4 Ų63.478%0.77633%0.333SS*.G310 helixtrans-80.7-12178-60.1179.37.700113.8F354F354-Q356 PolarHBondContact O-N 3.1Å
357M93.7Very high94.7Very high73 Ų7364.8 Ų64.836%0.3635%0.345SS..THydrogen-bonded Turntrans-87.7-21.2-177.2-62-59.3-63.500112.8Y135 F354 Q355Y135-M357 HydrophobicContact CD2-CB 4.4Å; Y135-M357 WeakPolarHBondContact CD2-O 3.48Å; Y135-M357 HydrophobicContact CE2-CB 4.14Å; Y135-M357 HydrophobicContact CE2-CE 4.43Å; F354-M357 HydrophobicContact CD2-CB 3.77Å; F354-M357 HydrophobicContact CD2-CG 3.93Å; F354-M357 HydrophobicContact CE2-CB 3.74Å; F354-M357 HydrophobicContact CE2-CG 4.26Å; F354-M357 HydrophobicContact CG-CB 4.38Å; F354-M357 HydrophobicContact CZ-CB 4.34Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.36Å; F354-M357 PolarHBondContact O-N 2.87Å; Q355-M357 VanDerWaalsContact C-N 3.33Å
358W96.6Very high94.8Very high9 Ų962.5 Ų62.53%0.03434%0.339CS..SBendtrans-53.7141.8175.7-69.7120.4000111.5A9 P104 L106 A133 A349 F354 Q355A9-W358 HydrophobicContact CB-CH2 3.91Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å; P104-W358 HydrophobicContact CB-CD2 4.38Å; P104-W358 HydrophobicContact CB-CE3 4.46Å; P104-W358 HydrophobicContact CB-CH2 4.11Å; P104-W358 HydrophobicContact CB-CZ2 4.01Å; P104-W358 HydrophobicContact CB-CZ3 4.34Å; L106-W358 HydrophobicContact CB-CH2 3.87Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å; A133-W358 HydrophobicContact CB-CB 4.06Å; A133-W358 HydrophobicContact CB-CD2 4.5Å; A133-W358 HydrophobicContact CB-CG 4.32Å; A349-W358 HydrophobicContact CB-CH2 4.36Å; A349-W358 HydrophobicContact CB-CZ2 4.14Å; F354-W358 HydrophobicContact CD1-CD2 4.49Å; F354-W358 AromaticContact CD1-CE2 3.87Å; F354-W358 HydrophobicContact CD1-CZ2 4.01Å; F354-W358 AromaticContact CD1-NE1 3.95Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.62Å; F354-W358 HydrophobicContact CE1-CE3 4.26Å; F354-W358 AromaticContact CE1-CH2 3.95Å; F354-W358 HydrophobicContact CE1-CH2 3.95Å; F354-W358 AromaticContact CE1-CZ2 3.61Å; F354-W358 HydrophobicContact CE1-CZ2 3.61Å; F354-W358 HydrophobicContact CE1-CZ3 4.25Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.27Å
359I98.1Very high94.9Very high0 Ų063.2 Ų63.20%034%0.344CS..EExtended strand (participates in β ladder)trans-85117.7161.8-59.3161.9000105.4F126 A133 M134 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.37Å; F126-I359 HydrophobicContact CZ-CG2 3.89Å; F126-I359 WeakPolarHBondContact CZ-O 3.39Å; A133-I359 CarbonylContact C-O 3.58Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.36Å; M134-I359 HydrophobicContact CG-CB 4.49Å; M134-I359 PolarHBondContact N-O 2.89Å; M134-I359 WeakPolarHBondContact O-CB 3.32Å; M134-I359 PolarHBondContact O-N 2.98Å; I359-E363 HydrophobicContact CG2-CB 4.46Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.59Å; I359-V372 HydrophobicContact CD1-CB 4.22Å; I359-V372 HydrophobicContact CD1-CG2 4.29Å; I359-K375 HydrophobicContact CD1-CB 4.2Å; I359-K375 HydrophobicContact CG1-CB 3.74Å; I359-K375 HydrophobicContact CG1-CG 4.08Å
360T97.7Very high95Very high55 Ų5565.2 Ų65.234%0.33736%0.358SS..EExtended strand (participates in β ladder)trans-83.8158.4176.661.10000111.3Q362 E363 Y364T360-Q362 PolarHBondContact O-N 2.89Å; T360-E363 PolarHBondContact N-OE2 2.89Å; T360-E363 PolarHBondContact O-N 2.72Å; T360-E363 VanDerWaalsContact O-N 3.14Å; T360-E363 WeakPolarHBondContact OG1-CG 3.49Å; T360-E363 PolarHBondContact OG1-N 3.42Å; T360-E363 PolarHBondContact OG1-OE2 2.97Å; T360-E363 VanDerWaalsContact OG1-OE2 3.06Å; T360-Y364 PolarHBondContact O-N 3.32Å
361K97.7Very high95.2Very high60 Ų6062.6 Ų62.626%0.26134%0.339SS..Hα-helixtrans-54-38.8172.7-179.264.6-177.9175.60112.2F126 P132 Y364 D365F126-K361 HydrophobicContact CB-CD 4.29Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.57Å; F126-K361 HydrophobicContact CE1-CB 4.07Å; F126-K361 HydrophobicContact CE1-CD 4.24Å; F126-K361 HydrophobicContact CG-CD 4.24Å; F126-K361 PolarHBondContact O-NZ 3.15Å; P132-K361 PolarHBondContact O-N 2.77Å; K361-Y364 WeakPolarHBondContact O-CB 3.2Å; K361-Y364 PolarHBondContact O-N 3.25Å; K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.31Å; K361-D365 IonicContact NZ-OD1 3.42Å; K361-D365 PolarHBondContact NZ-OD1 2.65Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.49Å
362Q97.7Very high95.5Very high131 Ų13159 Ų5961%0.61232%0.32SS*.Hα-helixtrans-62-49176-176.4-175.9-12.500112.1T360 Y364 D365 E366T360-Q362 PolarHBondContact O-N 2.89Å; Q362-Y364 PolarHBondContact O-N 3.31Å; Q362-D365 PolarHBondContact O-N 3.33Å; Q362-E366 PolarHBondContact NE2-OE1 3.29Å; Q362-E366 WeakPolarHBondContact O-CG 3.32Å; Q362-E366 PolarHBondContact O-N 3.47Å
363E98Very high95.8Very high48 Ų4856.3 Ų56.322%0.22430%0.296CS..Hα-helixtrans-61.7-35.5177.8-72.8169.5127.500111.9I359 T360 A367 I371 K375I359-E363 HydrophobicContact CG2-CB 4.46Å; T360-E363 PolarHBondContact N-OE2 2.89Å; T360-E363 PolarHBondContact O-N 2.72Å; T360-E363 VanDerWaalsContact O-N 3.14Å; T360-E363 WeakPolarHBondContact OG1-CG 3.49Å; T360-E363 PolarHBondContact OG1-N 3.42Å; T360-E363 PolarHBondContact OG1-OE2 2.97Å; T360-E363 VanDerWaalsContact OG1-OE2 3.06Å; E363-A367 WeakPolarHBondContact O-CB 3.4Å; E363-A367 PolarHBondContact O-N 2.93Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; E363-K375 WeakPolarHBondContact OE1-CE 3.38Å; E363-K375 IonicContact OE1-NZ 3.48Å; E363-K375 PolarHBondContact OE1-NZ 3.36Å; E363-K375 IonicContact OE2-NZ 3.63Å
364Y98.4Very high96.1Very high10 Ų1058.9 Ų58.94%0.03929%0.294CS..Hα-helixtrans-64.2-48.3172.7173.7-97.2000112.3T122 F126 E127 T360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.75Å; T122-Y364 HydrophobicContact CG2-CE2 3.95Å; F126-Y364 HydrophobicContact CB-CD1 3.65Å; F126-Y364 HydrophobicContact CB-CD2 4.28Å; F126-Y364 HydrophobicContact CB-CE1 3.74Å; F126-Y364 HydrophobicContact CB-CE2 4.32Å; F126-Y364 HydrophobicContact CB-CG 3.94Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.98Å; F126-Y364 HydrophobicContact CD2-CD1 3.98Å; F126-Y364 AromaticContact CD2-CD2 3.34Å; F126-Y364 HydrophobicContact CD2-CD2 3.34Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.89Å; F126-Y364 HydrophobicContact CE2-CD2 3.89Å; F126-Y364 AromaticContact CE2-CG 3.83Å; F126-Y364 HydrophobicContact CE2-CG 3.83Å; F126-Y364 AromaticContact CG-CD1 3.87Å; F126-Y364 HydrophobicContact CG-CD1 3.87Å; F126-Y364 HydrophobicContact CG-CD2 4.08Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.13Å; E127-Y364 PolarHBondContact OE1-OH 3.31Å; T360-Y364 PolarHBondContact O-N 3.32Å; K361-Y364 WeakPolarHBondContact O-CB 3.2Å; K361-Y364 PolarHBondContact O-N 3.25Å; Q362-Y364 PolarHBondContact O-N 3.31Å; Y364-E366 PolarHBondContact O-N 2.87Å; Y364-A367 PolarHBondContact O-N 3Å; Y364-G368 WeakPolarHBondContact O-CA 3.47Å; Y364-G368 PolarHBondContact O-N 3.04Å; Y364-P369 HydrophobicContact CE2-CB 4.37Å; Y364-P369 HydrophobicContact CE2-CG 3.9Å
365D98.2Very high96.3Very high104 Ų10460.7 Ų60.756%0.55630%0.302SS*.Hα-helixtrans-63.8-29.1-178.7-67.1-22.3000111.6K361 Q362K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.31Å; K361-D365 IonicContact NZ-OD1 3.42Å; K361-D365 PolarHBondContact NZ-OD1 2.65Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.49Å; Q362-D365 PolarHBondContact O-N 3.33Å
366E97.8Very high96.6Very high143 Ų14357.1 Ų57.167%0.66829%0.285SS*.Hα-helixtrans-80.1-41.7177-70.9176.9-164.900114Q362 Y364Q362-E366 PolarHBondContact NE2-OE1 3.29Å; Q362-E366 WeakPolarHBondContact O-CG 3.32Å; Q362-E366 PolarHBondContact O-N 3.47Å; Y364-E366 PolarHBondContact O-N 2.87Å
367A97.5Very high96.2Very high33 Ų3356.9 Ų56.927%0.27328%0.282SS..Hα-helixtrans-109.3-9.2-171.400000114.7E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.4Å; E363-A367 PolarHBondContact O-N 2.93Å; Y364-A367 PolarHBondContact O-N 3Å; A367-S370 PolarHBondContact O-OG 3.08Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.02Å; A367-I371 HydrophobicContact CB-CG1 4.35Å
368G97.8Very high96.4Very high21 Ų2156.1 Ų56.122%0.21628%0.278CS..  trans65-168.5-172.800000113.6Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.47Å; Y364-G368 PolarHBondContact O-N 3.04Å; G368-S370 PolarHBondContact O-N 2.78Å; G368-I371 WeakPolarHBondContact O-CB 3.35Å; G368-I371 VanDerWaalsContact O-CG2 3.22Å; G368-I371 WeakPolarHBondContact O-CG2 3.39Å; G368-I371 PolarHBondContact O-N 3.03Å; G368-I371 VanDerWaalsContact O-N 3.17Å
369P97.5Very high96.3Very high36 Ų3658.6 Ų58.623%0.23429%0.291CS..G310 helixtrans-55.2-26.9-176.8-28.134.6000115.4E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; Q123-P369 HydrophobicContact CB-CG 4.13Å; Q123-P369 HydrophobicContact CG-CG 4.49Å; Y364-P369 HydrophobicContact CE2-CB 4.37Å; Y364-P369 HydrophobicContact CE2-CG 3.9Å; P369-I371 PolarHBondContact O-N 3.48Å; P369-I371 VanDerWaalsContact O-N 3.12Å; P369-V372 WeakPolarHBondContact O-CG1 3.46Å; P369-V372 PolarHBondContact O-N 3.31Å
370S97.6Very high96.2Very high45 Ų4561.8 Ų61.832%0.31531%0.307SS..G310 helixtrans-64.6-14.7-178.175.90000114.4A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 3.08Å; G368-S370 PolarHBondContact O-N 2.78Å; S370-V372 PolarHBondContact O-N 2.99Å; S370-V372 VanDerWaalsContact O-N 3.17Å; S370-H373 PolarHBondContact O-CD2 2.91Å; S370-H373 PolarHBondContact O-N 3.16Å; S370-H373 VanDerWaalsContact O-N 3.15Å
371I97.9Very high96.2Very high12 Ų1262.2 Ų62.26%0.06231%0.305CS..G310 helixtrans-55.8-30.3177.2-17057.5000112.7T122 I359 E363 A367 G368 P369 H373 R374 K375T122-I371 HydrophobicContact CG2-CG2 4.36Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.59Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.02Å; A367-I371 HydrophobicContact CB-CG1 4.35Å; G368-I371 WeakPolarHBondContact O-CB 3.35Å; G368-I371 VanDerWaalsContact O-CG2 3.22Å; G368-I371 WeakPolarHBondContact O-CG2 3.39Å; G368-I371 PolarHBondContact O-N 3.03Å; G368-I371 VanDerWaalsContact O-N 3.17Å; P369-I371 PolarHBondContact O-N 3.48Å; P369-I371 VanDerWaalsContact O-N 3.12Å; I371-H373 PolarHBondContact O-N 3.27Å; I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 WeakPolarHBondContact O-CB 3.48Å; I371-R374 PolarHBondContact O-N 2.99Å; I371-K375 HydrophobicContact CD1-CG 4.42Å; I371-K375 HydrophobicContact CG1-CG 4.49Å; I371-K375 PolarHBondContact O-N 3.44Å
372V97.8Very high96.1Very high0 Ų062.4 Ų62.40%031%0.308CS..Hα-helixtrans-57-33.8178.971.60000112.6R118 E119 V136 I359 P369 S370 R374 C376R118-V372 HydrophobicContact CB-CG1 3.74Å; R118-V372 HydrophobicContact CB-CG2 4.27Å; E119-V372 HydrophobicContact CG-CG1 4.4Å; V136-V372 HydrophobicContact CB-CG2 4.31Å; V136-V372 HydrophobicContact CG2-CG2 4.04Å; I359-V372 HydrophobicContact CD1-CB 4.22Å; I359-V372 HydrophobicContact CD1-CG2 4.29Å; P369-V372 WeakPolarHBondContact O-CG1 3.46Å; P369-V372 PolarHBondContact O-N 3.31Å; S370-V372 PolarHBondContact O-N 2.99Å; S370-V372 VanDerWaalsContact O-N 3.17Å; V372-R374 PolarHBondContact O-N 2.89Å; V372-C376 HydrophobicContact CG2-CB 4.02Å; V372-C376 WeakPolarHBondContact O-CB 3.4Å; V372-C376 PolarHBondContact O-N 3.33Å
373H96.4Very high96Very high42 Ų4257.8 Ų57.819%0.19429%0.288CS..Hα-helixtrans-74.6-12.7179.1-53.1-53.2000113.8K115 E119 S370 I371K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.39Å; K115-H373 PolarHBondContact O-CE1 3.23Å; E119-H373 WeakPolarHBondContact CG-NE2 3.5Å; E119-H373 IonicContact OE1-CD2 2.72Å; E119-H373 PolarHBondContact OE1-CD2 3.25Å; E119-H373 IonicContact OE1-CE1 3.21Å; E119-H373 IonicContact OE1-NE2 3.88Å; E119-H373 PolarHBondContact OE1-NE2 2.92Å; S370-H373 PolarHBondContact O-CD2 2.91Å; S370-H373 PolarHBondContact O-N 3.16Å; S370-H373 VanDerWaalsContact O-N 3.15Å; I371-H373 PolarHBondContact O-N 3.27Å
374R94.2Very high95.8Very high163 Ų16358.5 Ų58.562%0.61529%0.292SS*.Hα-helixtrans-99.8-20.3179.9-58.8-177.6-173.5167.94.1113.1I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 WeakPolarHBondContact O-CB 3.48Å; I371-R374 PolarHBondContact O-N 2.99Å; V372-R374 PolarHBondContact O-N 2.89Å; R374-F377 WeakPolarHBondContact O-CE2 3.44Å; R374-F377 WeakPolarHBondContact O-CZ 3.22Å
375K93.9Very high95.6Very high49 Ų4962.2 Ų62.221%0.21331%0.312CS..Hα-helixtrans-115.7-31.3-173.7-74.1-81.7-167.6140.60113.1Y135 I359 E363 I371Y135-K375 WeakPolarHBondContact CE2-O 3.25Å; I359-K375 HydrophobicContact CD1-CB 4.2Å; I359-K375 HydrophobicContact CG1-CB 3.74Å; I359-K375 HydrophobicContact CG1-CG 4.08Å; E363-K375 WeakPolarHBondContact OE1-CE 3.38Å; E363-K375 IonicContact OE1-NZ 3.48Å; E363-K375 PolarHBondContact OE1-NZ 3.36Å; E363-K375 IonicContact OE2-NZ 3.63Å; I371-K375 HydrophobicContact CD1-CG 4.42Å; I371-K375 HydrophobicContact CG1-CG 4.49Å; I371-K375 PolarHBondContact O-N 3.44Å
376C93Very high95.4Very high0 Ų058.8 Ų58.80%029%0.291CS..  trans-107.9100.7-177.6-57.70000109.9R118 Y135 V136 V372R118-C376 PolarHBondContact NH1-O 3.06Å; R118-C376 PolarHBondContact NH2-O 3.14Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.47Å; Y135-C376 HydrophobicContact CE2-CB 4.27Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å; V136-C376 HydrophobicContact CB-CB 4.42Å; V136-C376 PolarHBondContact N-SG 3.38Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 WeakPolarHBondContact O-CB 3.43Å; V372-C376 HydrophobicContact CG2-CB 4.02Å; V372-C376 WeakPolarHBondContact O-CB 3.4Å; V372-C376 PolarHBondContact O-N 3.33Å
377F83.5Confident95.2Very high161 Ų16151.1 Ų51.171%0.70626%0.257SS*.  trans-100.70-177.6-62.4-73.7000113.4R374R374-F377 WeakPolarHBondContact O-CE2 3.44Å; R374-F377 WeakPolarHBondContact O-CZ 3.22Å

Retrieved 377 of 377 residues in 118.7 ms (Link to these results)

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