A0A077ZC69_TRITR Loading...

SelA and Se-cys synth N domain containing protein

AlphaFold DB (P0A821), UniProt , Accession A0A077ZC69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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
1M62.7Low81.3Confident161 Ų16193.8 Ų93.879%0.79349%0.485SS*.  0122.50-77.9-177.1-178.200107.8T5 R6 Y9M1-T5 HydrophobicContact CG-CG2 4.46Å; M1-R6 HydrophobicContact CB-CG 4.27Å; M1-R6 HydrophobicContact SD-CG 4.39Å; M1-Y9 HydrophobicContact CE-CD2 4.13Å; M1-Y9 HydrophobicContact CE-CE2 3.56Å; M1-Y9 HydrophobicContact SD-CD2 4.21Å; M1-Y9 HydrophobicContact SD-CE2 4.07Å
2T67.5Low82.4Confident66 Ų6688.3 Ų88.341%0.40546%0.456SS..  trans-68.6161.117260.10000109E4 T5 R6T2-E4 PolarHBondContact O-N 2.81Å; T2-T5 PolarHBondContact N-OG1 3.13Å; T2-T5 PolarHBondContact O-N 3.04Å; T2-T5 PolarHBondContact OG1-N 3.04Å; T2-T5 PolarHBondContact OG1-OG1 3.34Å; T2-R6 PolarHBondContact O-N 2.8Å; T2-R6 VanDerWaalsContact O-N 3.15Å
3T73.5Confident83.3Confident130 Ų13083.2 Ų83.280%0.79843%0.432SS*.Hα-helixtrans-55.8-35175.7-34.60000111R6 S7T3-R6 PolarHBondContact O-N 3.43Å; T3-S7 PolarHBondContact O-N 2.95Å; T3-S7 VanDerWaalsContact O-N 3.11Å
4E75.1Confident84.1Confident145 Ų14581.6 Ų81.668%0.67844%0.438SS*.Hα-helixtrans-62.8-46.6173.4-66.5175169.400112.1T2 R6 S7 L8T2-E4 PolarHBondContact O-N 2.81Å; E4-R6 VanDerWaalsContact C-N 3.29Å; E4-R6 PolarHBondContact O-N 3.4Å; E4-S7 WeakPolarHBondContact O-CB 3.28Å; E4-S7 PolarHBondContact O-N 2.94Å; E4-S7 VanDerWaalsContact O-N 3.1Å; E4-L8 PolarHBondContact O-N 3.34Å
5T76.4Confident84.8Confident8 Ų878.1 Ų78.15%0.04942%0.418CS..Hα-helixtrans-60.7-39177-31.50000111.8M1 T2 S7 L8 Y9 I51M1-T5 HydrophobicContact CG-CG2 4.46Å; T2-T5 PolarHBondContact N-OG1 3.13Å; T2-T5 PolarHBondContact O-N 3.04Å; T2-T5 PolarHBondContact OG1-N 3.04Å; T2-T5 PolarHBondContact OG1-OG1 3.34Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 2.85Å; T5-L8 PolarHBondContact O-N 3.42Å; T5-Y9 HydrophobicContact CG2-CD2 4.15Å; T5-Y9 HydrophobicContact CG2-CE2 3.66Å; T5-Y9 WeakPolarHBondContact O-CD2 3.34Å; T5-Y9 PolarHBondContact O-N 2.99Å; T5-I51 HydrophobicContact CG2-CG2 3.84Å
6R81.8Confident85.4Confident176 Ų17680.3 Ų80.366%0.66443%0.43SS*.Hα-helixtrans-64.4-37.1176.8-76.4-174.9176.7172.4-0.3112.2M1 T2 T3 E4 L8 Y9 S10M1-R6 HydrophobicContact CB-CG 4.27Å; M1-R6 HydrophobicContact SD-CG 4.39Å; T2-R6 PolarHBondContact O-N 2.8Å; T2-R6 VanDerWaalsContact O-N 3.15Å; T3-R6 PolarHBondContact O-N 3.43Å; E4-R6 VanDerWaalsContact C-N 3.29Å; E4-R6 PolarHBondContact O-N 3.4Å; R6-L8 VanDerWaalsContact C-N 3.33Å; R6-L8 PolarHBondContact O-N 2.88Å; R6-Y9 PolarHBondContact O-N 3.31Å; R6-S10 PolarHBondContact O-N 3.45Å
7S89.3Confident85.9Confident60 Ų6086.8 Ų86.842%0.4245%0.447SS..Hα-helixtrans-60.7-43175.2-178.60000111.3T3 E4 T5 S10 Q11T3-S7 PolarHBondContact O-N 2.95Å; T3-S7 VanDerWaalsContact O-N 3.11Å; E4-S7 WeakPolarHBondContact O-CB 3.28Å; E4-S7 PolarHBondContact O-N 2.94Å; E4-S7 VanDerWaalsContact O-N 3.1Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 2.85Å; S7-S10 PolarHBondContact O-N 3.48Å; S7-S10 PolarHBondContact O-OG 3.34Å; S7-Q11 WeakPolarHBondContact O-CG 3.3Å; S7-Q11 PolarHBondContact O-N 2.66Å
8L92.1Very high86.3Confident30 Ų3082.9 Ų82.916%0.15743%0.427CS..Hα-helixtrans-63.5-45.7179.2-61.7171.7000112.6E4 T5 R6 S10 Q11 I51 Q55 L57E4-L8 PolarHBondContact O-N 3.34Å; T5-L8 PolarHBondContact O-N 3.42Å; R6-L8 VanDerWaalsContact C-N 3.33Å; R6-L8 PolarHBondContact O-N 2.88Å; L8-S10 PolarHBondContact O-N 3.37Å; L8-Q11 WeakPolarHBondContact O-CB 3.35Å; L8-Q11 PolarHBondContact O-N 3.32Å; L8-Q11 VanDerWaalsContact O-N 3.12Å; L8-I51 HydrophobicContact CB-CD1 4.19Å; L8-I51 HydrophobicContact CB-CG1 4.19Å; L8-I51 HydrophobicContact CB-CG2 3.87Å; L8-I51 HydrophobicContact CD1-CG2 4.17Å; L8-Q55 VanDerWaalsContact CD1-C 3.42Å; L8-Q55 WeakPolarHBondContact CD1-O 3.18Å; L8-L57 HydrophobicContact CD2-CD1 4.23Å; L8-L57 HydrophobicContact CD2-CG 4.1Å
9Y91.7Very high86.7Confident52 Ų5279.4 Ų79.420%0.20441%0.409CS..Hα-helixtrans-61.8-32.3177.1-75.6-68.5000112.8M1 T5 R6 Q11 L12 R48 I51 R52M1-Y9 HydrophobicContact CE-CD2 4.13Å; M1-Y9 HydrophobicContact CE-CE2 3.56Å; M1-Y9 HydrophobicContact SD-CD2 4.21Å; M1-Y9 HydrophobicContact SD-CE2 4.07Å; T5-Y9 HydrophobicContact CG2-CD2 4.15Å; T5-Y9 HydrophobicContact CG2-CE2 3.66Å; T5-Y9 WeakPolarHBondContact O-CD2 3.34Å; T5-Y9 PolarHBondContact O-N 2.99Å; R6-Y9 PolarHBondContact O-N 3.31Å; Y9-Q11 PolarHBondContact O-N 3.49Å; Y9-L12 HydrophobicContact CD1-CD1 4.48Å; Y9-L12 PolarHBondContact O-N 3.44Å; Y9-R48 HydrophobicContact CD1-CG 4.29Å; Y9-R48 HydrophobicContact CE1-CB 4.09Å; Y9-R48 HydrophobicContact CE1-CG 4.02Å; Y9-R48 PolarHBondContact OH-O 3.15Å; Y9-I51 HydrophobicContact CD1-CD1 3.93Å; Y9-I51 HydrophobicContact CD1-CG2 4.25Å; Y9-I51 HydrophobicContact CD2-CG2 3.87Å; Y9-I51 HydrophobicContact CE1-CB 4Å; Y9-I51 HydrophobicContact CE1-CD1 4.11Å; Y9-I51 HydrophobicContact CE1-CG2 3.89Å; Y9-I51 HydrophobicContact CE2-CB 4.42Å; Y9-I51 HydrophobicContact CE2-CG2 3.48Å; Y9-I51 VanDerWaalsContact CE2-CG2 3.48Å; Y9-I51 HydrophobicContact CG-CD1 4.42Å; Y9-I51 HydrophobicContact CG-CG2 4.23Å; Y9-I51 VanDerWaalsContact CZ-CG2 3.46Å; Y9-R52 PolarHBondContact OH-N 3.41Å
10S92.2Very high87Confident92 Ų9286.1 Ų86.164%0.64343%0.429SS*.Hα-helixtrans-72.1-16.2178.473.40000114.1R6 S7 L8R6-S10 PolarHBondContact O-N 3.45Å; S7-S10 PolarHBondContact O-N 3.48Å; S7-S10 PolarHBondContact O-OG 3.34Å; L8-S10 PolarHBondContact O-N 3.37Å
11Q92.5Very high87.2Confident112 Ų11285.8 Ų85.852%0.52343%0.429SS..THydrogen-bonded Turntrans-81.9-14.8177.5-67.3174.948.200112.8S7 L8 Y9 P13 L57S7-Q11 WeakPolarHBondContact O-CG 3.3Å; S7-Q11 PolarHBondContact O-N 2.66Å; L8-Q11 WeakPolarHBondContact O-CB 3.35Å; L8-Q11 PolarHBondContact O-N 3.32Å; L8-Q11 VanDerWaalsContact O-N 3.12Å; Y9-Q11 PolarHBondContact O-N 3.49Å; Q11-P13 WeakPolarHBondContact O-CD 3.32Å; Q11-L57 HydrophobicContact CB-CD1 4Å
12L94.5Very high88.5Confident27 Ų2782.6 Ų82.614%0.14142%0.423CS..SBendtrans-70.9121.5177.3-60.6-178.3000110.6Y9 L44 A47 R48 I51 L57 W64Y9-L12 HydrophobicContact CD1-CD1 4.48Å; Y9-L12 PolarHBondContact O-N 3.44Å; L12-L44 HydrophobicContact CB-CD2 3.97Å; L12-L44 HydrophobicContact CD1-CD2 4.45Å; L12-A47 HydrophobicContact CD1-CB 4.18Å; L12-A47 HydrophobicContact CD2-CB 3.67Å; L12-R48 HydrophobicContact CD1-CG 3.9Å; L12-I51 HydrophobicContact CD1-CD1 3.92Å; L12-I51 HydrophobicContact CD2-CD1 4.29Å; L12-I51 HydrophobicContact CG-CD1 4.17Å; L12-L57 HydrophobicContact CD2-CD2 3.66Å; L12-L57 HydrophobicContact CG-CD2 4.5Å; L12-W64 HydrophobicContact CD2-CZ2 4.04Å
13P93.7Very high89.7Confident22 Ų2281.6 Ų81.614%0.14342%0.418CS..PPolyproline II helixtrans-72.9148.4-177.430.5-35.2000111.5Q11 L18 W64Q11-P13 WeakPolarHBondContact O-CD 3.32Å; P13-L18 HydrophobicContact CB-CD1 4.48Å; P13-L18 HydrophobicContact CB-CD2 4Å; P13-L18 HydrophobicContact CB-CG 3.96Å; P13-L18 HydrophobicContact CG-CD1 3.8Å; P13-L18 HydrophobicContact CG-CD2 3.64Å; P13-L18 HydrophobicContact CG-CG 3.72Å; P13-W64 HydrophobicContact CG-CD2 4.28Å; P13-W64 HydrophobicContact CG-CG 4.43Å; P13-W64 HydrophobicContact CG-CZ2 4.3Å
14A94.5Very high90.7Very high62 Ų6275.5 Ų75.551%0.51238%0.381SS..PPolyproline II helixtrans-64.9140.7166.300000109.9D16 R17 L18A14-D16 PolarHBondContact O-N 3.01Å; A14-R17 HydrophobicContact CB-CB 4.4Å; A14-R17 WeakPolarHBondContact O-CA 3.42Å; A14-R17 VanDerWaalsContact O-CB 3.31Å; A14-R17 WeakPolarHBondContact O-CB 3.43Å; A14-R17 PolarHBondContact O-N 3.31Å; A14-L18 PolarHBondContact O-N 3.35Å; A14-L18 VanDerWaalsContact O-N 3.13Å
15I94.7Very high91.6Very high28 Ų2872.5 Ų72.514%0.14437%0.369CS..Hα-helixtrans-53.5-44.9177.1-64.3-179.7000110.7R17 L18 L19 L40 R41 L44I15-R17 PolarHBondContact O-N 3.01Å; I15-R17 VanDerWaalsContact O-N 3.15Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 3.38Å; I15-L19 HydrophobicContact CG2-CD1 3.62Å; I15-L19 HydrophobicContact CG2-CG 3.94Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.03Å; I15-L40 HydrophobicContact CD1-CB 4.29Å; I15-L40 HydrophobicContact CG1-CB 4.26Å; I15-L40 HydrophobicContact CG2-CB 4.48Å; I15-L40 HydrophobicContact CG2-CD1 4.06Å; I15-R41 HydrophobicContact CD1-CB 4.32Å; I15-R41 HydrophobicContact CD1-CG 3.34Å; I15-L44 HydrophobicContact CD1-CD1 3.79Å; I15-L44 HydrophobicContact CG1-CD1 3.35Å
16D94.2Very high92.4Very high114 Ų11475.8 Ų75.861%0.6139%0.392SS*.Hα-helixtrans-59.9-28.2178.5-65.1-38.2000113.4A14 R20A14-D16 PolarHBondContact O-N 3.01Å; D16-R20 WeakPolarHBondContact O-CD 3.47Å; D16-R20 VanDerWaalsContact O-CG 3.27Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å
17R93.5Very high93Very high190 Ų19067.9 Ų67.972%0.71736%0.363SS*.Hα-helixtrans-74.2-45.2174.6-176.5-179.5177.2179.9-1.4110.6A14 I15 L19 R20A14-R17 HydrophobicContact CB-CB 4.4Å; A14-R17 WeakPolarHBondContact O-CA 3.42Å; A14-R17 VanDerWaalsContact O-CB 3.31Å; A14-R17 WeakPolarHBondContact O-CB 3.43Å; A14-R17 PolarHBondContact O-N 3.31Å; I15-R17 PolarHBondContact O-N 3.01Å; I15-R17 VanDerWaalsContact O-N 3.15Å; R17-L19 VanDerWaalsContact C-N 3.35Å; R17-R20 PolarHBondContact O-N 3.37Å
18L94.2Very high93.3Very high18 Ų1868.9 Ų68.99%0.09436%0.357CS..Hα-helixtrans-58.4-47.7175.6-70.2178.1000111P13 A14 I15 R20 D21 F24 L40 W64P13-L18 HydrophobicContact CB-CD1 4.48Å; P13-L18 HydrophobicContact CB-CD2 4Å; P13-L18 HydrophobicContact CB-CG 3.96Å; P13-L18 HydrophobicContact CG-CD1 3.8Å; P13-L18 HydrophobicContact CG-CD2 3.64Å; P13-L18 HydrophobicContact CG-CG 3.72Å; A14-L18 PolarHBondContact O-N 3.35Å; A14-L18 VanDerWaalsContact O-N 3.13Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 3.38Å; L18-R20 PolarHBondContact O-N 3.01Å; L18-R20 VanDerWaalsContact O-N 3.08Å; L18-D21 VanDerWaalsContact O-CB 3.29Å; L18-D21 WeakPolarHBondContact O-CB 3.36Å; L18-D21 PolarHBondContact O-N 2.69Å; L18-F24 HydrophobicContact CB-CD2 4.21Å; L18-F24 HydrophobicContact CB-CE2 3.85Å; L18-F24 HydrophobicContact CB-CZ 4.07Å; L18-F24 HydrophobicContact CD1-CZ 4.36Å; L18-F24 HydrophobicContact CD2-CE2 3.9Å; L18-F24 HydrophobicContact CD2-CZ 4.27Å; L18-F24 HydrophobicContact CG-CE2 4.37Å; L18-F24 HydrophobicContact CG-CZ 4.49Å; L18-F24 WeakPolarHBondContact O-CD2 3.32Å; L18-F24 WeakPolarHBondContact O-CG 3.5Å; L18-L40 HydrophobicContact CB-CD1 4.24Å; L18-L40 HydrophobicContact CD1-CD1 4.15Å; L18-L40 HydrophobicContact CD1-CD2 3.54Å; L18-L40 HydrophobicContact CD1-CG 4.43Å; L18-W64 HydrophobicContact CD1-CB 4.2Å; L18-W64 HydrophobicContact CD1-CD2 3.89Å; L18-W64 HydrophobicContact CD1-CE3 3.82Å; L18-W64 HydrophobicContact CD1-CG 4.06Å; L18-W64 HydrophobicContact CD2-CB 3.87Å; L18-W64 HydrophobicContact CD2-CG 3.95Å
19L94.2Very high93.4Very high16 Ų1673.9 Ų73.98%0.08438%0.384CS..THydrogen-bonded Turntrans-66.6-12-176.9-65.1174.1000115.3I15 R17 V36 V37 L40I15-L19 HydrophobicContact CG2-CD1 3.62Å; I15-L19 HydrophobicContact CG2-CG 3.94Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.03Å; R17-L19 VanDerWaalsContact C-N 3.35Å; L19-V36 HydrophobicContact CD2-CG1 3.93Å; L19-V37 HydrophobicContact CD1-CG2 3.81Å; L19-V37 HydrophobicContact CD2-CG2 4.24Å; L19-L40 HydrophobicContact CD2-CD1 3.96Å; L19-L40 HydrophobicContact CG-CD1 4.37Å
20R91.7Very high93.5Very high212 Ų21275.8 Ų75.880%0.840%0.402SS*.THydrogen-bonded Turntrans-88.8-16.2174.4-73.6173.4-169.5-166.93.3113D16 R17 L18D16-R20 WeakPolarHBondContact O-CD 3.47Å; D16-R20 VanDerWaalsContact O-CG 3.27Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; R17-R20 PolarHBondContact O-N 3.37Å; L18-R20 PolarHBondContact O-N 3.01Å; L18-R20 VanDerWaalsContact O-N 3.08Å
21D91.1Very high93.6Very high81 Ų8173.2 Ų73.243%0.43338%0.378SS..SBendtrans-69.6140.9175.7-169.3-56.1000109.9L18 S23 F24 L25L18-D21 VanDerWaalsContact O-CB 3.29Å; L18-D21 WeakPolarHBondContact O-CB 3.36Å; L18-D21 PolarHBondContact O-N 2.69Å; D21-S23 VanDerWaalsContact CG-OG 3.23Å; D21-S23 PolarHBondContact O-N 2.67Å; D21-S23 WeakPolarHBondContact OD1-CB 3.5Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 2.75Å; D21-F24 HydrophobicContact CB-CD2 4.18Å; D21-F24 PolarHBondContact O-N 3.22Å; D21-F24 VanDerWaalsContact O-N 3.08Å; D21-L25 PolarHBondContact O-N 2.95Å
22S90.6Very high93.7Very high94 Ų9469.5 Ų69.566%0.65737%0.369SS*.Hα-helixtrans-60.9-29.7-179.752.50000113.1F24 L25S22-F24 PolarHBondContact O-N 3.06Å; S22-L25 WeakPolarHBondContact O-CB 3.26Å; S22-L25 PolarHBondContact O-N 2.79Å; S22-L25 VanDerWaalsContact O-N 3.12Å
23S92.5Very high93.8Very high44 Ų4472.8 Ų72.831%0.30838%0.384SS..Hα-helixtrans-59.7-36.117556.80000112.1D21 A65D21-S23 VanDerWaalsContact CG-OG 3.23Å; D21-S23 PolarHBondContact O-N 2.67Å; D21-S23 WeakPolarHBondContact OD1-CB 3.5Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 2.75Å; S23-A65 WeakPolarHBondContact OG-CB 3.17Å
24F95.5Very high93.9Very high3 Ų376 Ų761%0.01340%0.404CS..Hα-helixtrans-79.9-16.6177.1-78.5-85000113.9L18 D21 S22 L27 R28 V36 L40 W64 A65 V68L18-F24 HydrophobicContact CB-CD2 4.21Å; L18-F24 HydrophobicContact CB-CE2 3.85Å; L18-F24 HydrophobicContact CB-CZ 4.07Å; L18-F24 HydrophobicContact CD1-CZ 4.36Å; L18-F24 HydrophobicContact CD2-CE2 3.9Å; L18-F24 HydrophobicContact CD2-CZ 4.27Å; L18-F24 HydrophobicContact CG-CE2 4.37Å; L18-F24 HydrophobicContact CG-CZ 4.49Å; L18-F24 WeakPolarHBondContact O-CD2 3.32Å; L18-F24 WeakPolarHBondContact O-CG 3.5Å; D21-F24 HydrophobicContact CB-CD2 4.18Å; D21-F24 PolarHBondContact O-N 3.22Å; D21-F24 VanDerWaalsContact O-N 3.08Å; S22-F24 PolarHBondContact O-N 3.06Å; F24-L27 HydrophobicContact CD1-CD1 3.86Å; F24-L27 HydrophobicContact CE1-CD1 4.03Å; F24-L27 HydrophobicContact CG-CD1 4.37Å; F24-R28 WeakPolarHBondContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CD 3.47Å; F24-R28 WeakPolarHBondContact O-CG 3.48Å; F24-R28 PolarHBondContact O-N 3.41Å; F24-V36 HydrophobicContact CD1-CG1 3.85Å; F24-V36 HydrophobicContact CE1-CG1 4.25Å; F24-L40 HydrophobicContact CD1-CD1 4.25Å; F24-L40 HydrophobicContact CE1-CD1 3.8Å; F24-L40 HydrophobicContact CE1-CD2 3.89Å; F24-L40 HydrophobicContact CE1-CG 4.17Å; F24-L40 HydrophobicContact CZ-CD1 4.42Å; F24-L40 HydrophobicContact CZ-CD2 4.03Å; F24-W64 HydrophobicContact CE2-CB 4.34Å; F24-W64 HydrophobicContact CZ-CB 3.94Å; F24-A65 HydrophobicContact CD2-CB 4.21Å; F24-A65 HydrophobicContact CE2-CB 3.77Å; F24-A65 HydrophobicContact CZ-CB 4.07Å; F24-V68 HydrophobicContact CE1-CB 4.28Å; F24-V68 HydrophobicContact CE1-CG1 4.3Å; F24-V68 HydrophobicContact CE1-CG2 4.03Å; F24-V68 HydrophobicContact CZ-CG2 4.4Å
25L93.1Very high94Very high82 Ų8278 Ų7843%0.42940%0.398SS..Hα-helixtrans-63.3-49.5171.5-65.6174.9000110.3D21 S22 L27 R28 D29D21-L25 PolarHBondContact O-N 2.95Å; S22-L25 WeakPolarHBondContact O-CB 3.26Å; S22-L25 PolarHBondContact O-N 2.79Å; S22-L25 VanDerWaalsContact O-N 3.12Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3.35Å; L25-R28 PolarHBondContact O-N 3.44Å; L25-D29 PolarHBondContact O-N 3.43Å
26S92.9Very high94.1Very high76 Ų7676.7 Ų76.753%0.53139%0.391SS..Hα-helixtrans-58.7-44.1176.8-169.10000111.7R28 D29 T30S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.46Å; S26-D29 PolarHBondContact O-N 2.9Å; S26-T30 PolarHBondContact O-N 3.47Å; S26-T30 PolarHBondContact O-OG1 3Å; S26-T30 VanDerWaalsContact O-OG1 3.07Å
27L95.2Very high94.2Very high10 Ų1072 Ų725%0.05237%0.367CS..Hα-helixtrans-63.3-37.8179.3-65171.1000112.4F24 L25 Y31 V36 A65 V68 D69F24-L27 HydrophobicContact CD1-CD1 3.86Å; F24-L27 HydrophobicContact CE1-CD1 4.03Å; F24-L27 HydrophobicContact CG-CD1 4.37Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3.35Å; L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CD2-CD2 4.1Å; L27-Y31 HydrophobicContact CD2-CE2 3.78Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 WeakPolarHBondContact O-CD2 3.45Å; L27-Y31 PolarHBondContact O-N 2.91Å; L27-V36 HydrophobicContact CB-CG2 4.22Å; L27-A65 HydrophobicContact CD1-CB 4.1Å; L27-A65 WeakPolarHBondContact CD1-O 3.19Å; L27-V68 HydrophobicContact CD1-CB 4.18Å; L27-V68 HydrophobicContact CD1-CG1 3.82Å; L27-D69 HydrophobicContact CD2-CB 3.6Å; L27-D69 WeakPolarHBondContact CD2-OD1 3.31Å
28R95.2Very high94.4Very high81 Ų8167.9 Ų67.931%0.30636%0.355SS..Hα-helixtrans-69.7-37.5176.7-73.3165.645.9-169.7-12.1112.2F24 L25 S26 T30 G32 V36F24-R28 WeakPolarHBondContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CD 3.47Å; F24-R28 WeakPolarHBondContact O-CG 3.48Å; F24-R28 PolarHBondContact O-N 3.41Å; L25-R28 PolarHBondContact O-N 3.44Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.46Å; R28-T30 VanDerWaalsContact C-N 3.34Å; R28-G32 CarbonylContact O-C 3.35Å; R28-G32 WeakPolarHBondContact O-CA 3.42Å; R28-G32 PolarHBondContact O-N 2.73Å; R28-V36 HydrophobicContact CG-CB 4.44Å; R28-V36 HydrophobicContact CG-CG1 4.45Å; R28-V36 HydrophobicContact CG-CG2 4.35Å
29D93.9Very high94.5Very high135 Ų13567.2 Ų67.272%0.72235%0.352SS*.Hα-helixtrans-68.2-36.9177.4-68.6-14.9000111L25 S26L25-D29 PolarHBondContact O-N 3.43Å; S26-D29 PolarHBondContact O-N 2.9Å
30T93.7Very high94.7Very high93 Ų9366.5 Ų66.557%0.57135%0.348SS*.Hα-helixtrans-78-48.3178.5-55.70000113.4S26 R28S26-T30 PolarHBondContact O-N 3.47Å; S26-T30 PolarHBondContact O-OG1 3Å; S26-T30 VanDerWaalsContact O-OG1 3.07Å; R28-T30 VanDerWaalsContact C-N 3.34Å
31Y94.9Very high94.9Very high38 Ų3863.5 Ų63.515%0.14934%0.337CS..Hα-helixtrans-107.6-8.3-169.2-57.6-71000114.6L27 D69 L72 T73 A76L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CD2-CD2 4.1Å; L27-Y31 HydrophobicContact CD2-CE2 3.78Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 WeakPolarHBondContact O-CD2 3.45Å; L27-Y31 PolarHBondContact O-N 2.91Å; Y31-D69 WeakPolarHBondContact CE2-OD1 3.5Å; Y31-D69 PolarHBondContact OH-OD1 2.83Å; Y31-L72 HydrophobicContact CD1-CB 3.78Å; Y31-L72 HydrophobicContact CD1-CD1 4.4Å; Y31-L72 HydrophobicContact CD2-CB 3.93Å; Y31-L72 HydrophobicContact CD2-CD1 3.58Å; Y31-L72 HydrophobicContact CD2-CG 4.4Å; Y31-L72 HydrophobicContact CE1-CB 3.74Å; Y31-L72 HydrophobicContact CE2-CB 3.89Å; Y31-L72 HydrophobicContact CE2-CD1 4.24Å; Y31-L72 HydrophobicContact CG-CB 3.88Å; Y31-L72 HydrophobicContact CG-CD1 3.67Å; Y31-L72 HydrophobicContact CG-CG 4.32Å; Y31-T73 PolarHBondContact OH-OG1 2.9Å; Y31-A76 HydrophobicContact CE1-CB 4.27Å
32G95Very high95.2Very high33 Ų3364.8 Ų64.834%0.3434%0.34SS..  trans84141.7-175.300000113R28 T34 R35 V36R28-G32 CarbonylContact O-C 3.35Å; R28-G32 WeakPolarHBondContact O-CA 3.42Å; R28-G32 PolarHBondContact O-N 2.73Å; G32-T34 PolarHBondContact O-N 2.87Å; G32-R35 PolarHBondContact O-N 3.01Å; G32-V36 PolarHBondContact O-N 2.96Å
33H95.6Very high95.6Very high96 Ų9660.3 Ų60.344%0.44431%0.309SS..Hα-helixtrans-54.5-46.2-177.3176.977.4000113.6R35 V36 V37H33-R35 PolarHBondContact O-N 3.14Å; H33-V36 PolarHBondContact O-N 3.04Å; H33-V37 WeakPolarHBondContact O-CG2 3.46Å; H33-V37 PolarHBondContact O-N 3.41Å
34T96.2Very high95.8Very high91 Ų9158.8 Ų58.856%0.55830%0.297SS*.Hα-helixtrans-57-48.3-177.3-52.80000112G32 V36 V37 E38G32-T34 PolarHBondContact O-N 2.87Å; T34-V36 PolarHBondContact O-N 2.93Å; T34-V37 PolarHBondContact O-N 2.9Å; T34-E38 WeakPolarHBondContact O-CG 3.25Å; T34-E38 PolarHBondContact O-N 3.31Å
35R95.5Very high95.8Very high104 Ų10462.6 Ų62.639%0.39232%0.318SS..Hα-helixtrans-65.4-42.3-178.4-65-167.476.5-174.3-0.1112G32 H33 V37 E38 L39 E75G32-R35 PolarHBondContact O-N 3.01Å; H33-R35 PolarHBondContact O-N 3.14Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 2.94Å; R35-E38 PolarHBondContact O-N 2.82Å; R35-L39 WeakPolarHBondContact O-CB 3.38Å; R35-L39 PolarHBondContact O-N 3.16Å; R35-E75 IonicContact NH2-OE2 3.7Å; R35-E75 PolarHBondContact NH2-OE2 3.49Å
36V97.2Very high96Very high0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-60.4-45176.8174.30000110.7L19 F24 L27 R28 G32 H33 T34 L40 V68 L72L19-V36 HydrophobicContact CD2-CG1 3.93Å; F24-V36 HydrophobicContact CD1-CG1 3.85Å; F24-V36 HydrophobicContact CE1-CG1 4.25Å; L27-V36 HydrophobicContact CB-CG2 4.22Å; R28-V36 HydrophobicContact CG-CB 4.44Å; R28-V36 HydrophobicContact CG-CG1 4.45Å; R28-V36 HydrophobicContact CG-CG2 4.35Å; G32-V36 PolarHBondContact O-N 2.96Å; H33-V36 PolarHBondContact O-N 3.04Å; T34-V36 PolarHBondContact O-N 2.93Å; V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 HydrophobicContact CG1-CG 4.47Å; V36-L40 WeakPolarHBondContact O-CB 3.35Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 3.27Å; V36-V68 HydrophobicContact CG1-CG1 4.44Å; V36-L72 HydrophobicContact CG2-CD1 3.99Å
37V97.1Very high96.1Very high16 Ų1658.8 Ų58.810%0.09729%0.289CS..Hα-helixtrans-65.1-43.9178.7172.90000112L19 H33 T34 R35 L40 R41L19-V37 HydrophobicContact CD1-CG2 3.81Å; L19-V37 HydrophobicContact CD2-CG2 4.24Å; H33-V37 WeakPolarHBondContact O-CG2 3.46Å; H33-V37 PolarHBondContact O-N 3.41Å; T34-V37 PolarHBondContact O-N 2.9Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 2.94Å; V37-L40 PolarHBondContact O-N 3.43Å; V37-R41 WeakPolarHBondContact O-CG 3.48Å; V37-R41 PolarHBondContact O-N 3.44Å
38E97.1Very high96.1Very high102 Ų10263.7 Ų63.748%0.47731%0.307SS..Hα-helixtrans-61.2-46.8178.1-75.2173172.400111.7T34 R35 R41 Q42T34-E38 WeakPolarHBondContact O-CG 3.25Å; T34-E38 PolarHBondContact O-N 3.31Å; R35-E38 PolarHBondContact O-N 2.82Å; E38-R41 WeakPolarHBondContact O-CB 3.35Å; E38-R41 PolarHBondContact O-N 2.66Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.15Å; E38-Q42 VanDerWaalsContact O-N 3.08Å
39L97.3Very high96.2Very high5 Ų564.5 Ų64.53%0.02631%0.314CS..Hα-helixtrans-65.2-40.8177.1178.263.9000111.7R35 R41 Q42 M43 V68 R71 L72R35-L39 WeakPolarHBondContact O-CB 3.38Å; R35-L39 PolarHBondContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.84Å; L39-Q42 WeakPolarHBondContact O-CB 3.46Å; L39-Q42 PolarHBondContact O-N 3.05Å; L39-M43 HydrophobicContact CD1-CG 4.08Å; L39-M43 HydrophobicContact CD1-SD 4.19Å; L39-M43 HydrophobicContact CD2-SD 4.22Å; L39-M43 HydrophobicContact CG-CG 4.22Å; L39-M43 HydrophobicContact CG-SD 3.8Å; L39-M43 WeakPolarHBondContact O-CB 3.28Å; L39-M43 VanDerWaalsContact O-CG 3.32Å; L39-M43 WeakPolarHBondContact O-CG 3.34Å; L39-M43 PolarHBondContact O-N 2.76Å; L39-V68 HydrophobicContact CD2-CB 4.35Å; L39-V68 HydrophobicContact CD2-CG1 4.14Å; L39-V68 HydrophobicContact CD2-CG2 4.26Å; L39-R71 HydrophobicContact CD1-CB 4.44Å; L39-R71 HydrophobicContact CD2-CB 3.82Å; L39-L72 HydrophobicContact CD2-CD1 4.22Å; L39-L72 HydrophobicContact CD2-CD2 3.82Å; L39-L72 HydrophobicContact CD2-CG 3.6Å
40L97.3Very high96.2Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-60.7-37.3175.5-78.3177.6000112.6I15 L18 L19 F24 V36 V37 L44 W64 V68I15-L40 HydrophobicContact CD1-CB 4.29Å; I15-L40 HydrophobicContact CG1-CB 4.26Å; I15-L40 HydrophobicContact CG2-CB 4.48Å; I15-L40 HydrophobicContact CG2-CD1 4.06Å; L18-L40 HydrophobicContact CB-CD1 4.24Å; L18-L40 HydrophobicContact CD1-CD1 4.15Å; L18-L40 HydrophobicContact CD1-CD2 3.54Å; L18-L40 HydrophobicContact CD1-CG 4.43Å; L19-L40 HydrophobicContact CD2-CD1 3.96Å; L19-L40 HydrophobicContact CG-CD1 4.37Å; F24-L40 HydrophobicContact CD1-CD1 4.25Å; F24-L40 HydrophobicContact CE1-CD1 3.8Å; F24-L40 HydrophobicContact CE1-CD2 3.89Å; F24-L40 HydrophobicContact CE1-CG 4.17Å; F24-L40 HydrophobicContact CZ-CD1 4.42Å; F24-L40 HydrophobicContact CZ-CD2 4.03Å; V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 HydrophobicContact CG1-CG 4.47Å; V36-L40 WeakPolarHBondContact O-CB 3.35Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 3.27Å; V37-L40 PolarHBondContact O-N 3.43Å; L40-L44 WeakPolarHBondContact O-CB 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.16Å; L40-W64 HydrophobicContact CD2-CE3 3.75Å; L40-W64 HydrophobicContact CD2-CZ3 4.32Å; L40-V68 HydrophobicContact CD2-CG2 3.6Å; L40-V68 HydrophobicContact CG-CG2 4.2Å
41R97.3Very high96.3Very high150 Ų15056.3 Ų56.357%0.56627%0.269SS*.Hα-helixtrans-63.2-47.5173.4-72.6174179166.60.5111.1I15 V37 E38 L39 L44 D45I15-R41 HydrophobicContact CD1-CB 4.32Å; I15-R41 HydrophobicContact CD1-CG 3.34Å; V37-R41 WeakPolarHBondContact O-CG 3.48Å; V37-R41 PolarHBondContact O-N 3.44Å; E38-R41 WeakPolarHBondContact O-CB 3.35Å; E38-R41 PolarHBondContact O-N 2.66Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.84Å; R41-L44 PolarHBondContact O-N 2.87Å; R41-D45 PolarHBondContact O-N 3.2Å
42Q97.3Very high96.2Very high107 Ų10761.9 Ų61.950%0.529%0.29SS..Hα-helixtrans-60-47.6177.6-69171.5-3.500111.5E38 L39 L44 D45 E46E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.15Å; E38-Q42 VanDerWaalsContact O-N 3.08Å; L39-Q42 WeakPolarHBondContact O-CB 3.46Å; L39-Q42 PolarHBondContact O-N 3.05Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 2.85Å; Q42-D45 PolarHBondContact O-N 2.84Å; Q42-D45 VanDerWaalsContact O-N 3.12Å; Q42-E46 WeakPolarHBondContact O-CG 3.3Å; Q42-E46 PolarHBondContact O-N 3.26Å
43M97.3Very high96.1Very high0 Ų063.7 Ų63.70%031%0.309CS..Hα-helixtrans-61.1-40.8176.9-71.3172.763.500111.7L39 D45 E46 A47 W60 W64 E67 V68L39-M43 HydrophobicContact CD1-CG 4.08Å; L39-M43 HydrophobicContact CD1-SD 4.19Å; L39-M43 HydrophobicContact CD2-SD 4.22Å; L39-M43 HydrophobicContact CG-CG 4.22Å; L39-M43 HydrophobicContact CG-SD 3.8Å; L39-M43 WeakPolarHBondContact O-CB 3.28Å; L39-M43 VanDerWaalsContact O-CG 3.32Å; L39-M43 WeakPolarHBondContact O-CG 3.34Å; L39-M43 PolarHBondContact O-N 2.76Å; M43-D45 VanDerWaalsContact C-N 3.3Å; M43-D45 PolarHBondContact O-N 3.09Å; M43-E46 PolarHBondContact O-N 2.96Å; M43-A47 WeakPolarHBondContact O-CB 3.39Å; M43-A47 PolarHBondContact O-N 2.89Å; M43-W60 HydrophobicContact CB-CH2 3.97Å; M43-W60 HydrophobicContact CB-CZ3 4.19Å; M43-W60 HydrophobicContact CE-CD2 4.45Å; M43-W60 HydrophobicContact CE-CE3 3.69Å; M43-W60 HydrophobicContact CE-CH2 4.35Å; M43-W60 HydrophobicContact CE-CZ3 3.65Å; M43-W60 VanDerWaalsContact O-CH2 3.29Å; M43-W60 WeakPolarHBondContact O-CH2 3.42Å; M43-W64 HydrophobicContact CB-CE3 4.34Å; M43-W64 HydrophobicContact CB-CH2 4.37Å; M43-W64 HydrophobicContact CB-CZ3 3.6Å; M43-W64 HydrophobicContact CE-CE3 3.77Å; M43-W64 HydrophobicContact CE-CZ3 4.09Å; M43-E67 HydrophobicContact CE-CB 3.77Å; M43-E67 HydrophobicContact CE-CG 3.43Å; M43-E67 VanDerWaalsContact CE-CG 3.43Å; M43-E67 HydrophobicContact SD-CG 4.44Å; M43-V68 HydrophobicContact CE-CG2 3.99Å; M43-V68 HydrophobicContact SD-CG2 3.45Å; M43-V68 WeakPolarHBondContact SD-CG2 3.49Å
44L96.6Very high95.9Very high13 Ų1362.1 Ų62.17%0.06831%0.308CS..Hα-helixtrans-61.3-39.4174.4-81.1168.2000112.5L12 I15 L40 R41 Q42 R48 W64L12-L44 HydrophobicContact CB-CD2 3.97Å; L12-L44 HydrophobicContact CD1-CD2 4.45Å; I15-L44 HydrophobicContact CD1-CD1 3.79Å; I15-L44 HydrophobicContact CG1-CD1 3.35Å; L40-L44 WeakPolarHBondContact O-CB 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.16Å; R41-L44 PolarHBondContact O-N 2.87Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 2.85Å; L44-R48 WeakPolarHBondContact O-CD 3.22Å; L44-R48 WeakPolarHBondContact O-CG 3.41Å; L44-R48 PolarHBondContact O-N 2.9Å; L44-W64 HydrophobicContact CD2-CH2 3.55Å; L44-W64 HydrophobicContact CD2-CZ2 4.14Å; L44-W64 HydrophobicContact CD2-CZ3 4.19Å; L44-W64 HydrophobicContact CG-CH2 3.81Å; L44-W64 HydrophobicContact CG-CZ3 3.99Å
45D96.5Very high95.7Very high83 Ų8362.7 Ų62.744%0.44431%0.305SS..Hα-helixtrans-69.8-40.1176-68.7-25.4000111.8R41 Q42 M43 A47 R48 E49R41-D45 PolarHBondContact O-N 3.2Å; Q42-D45 PolarHBondContact O-N 2.84Å; Q42-D45 VanDerWaalsContact O-N 3.12Å; M43-D45 VanDerWaalsContact C-N 3.3Å; M43-D45 PolarHBondContact O-N 3.09Å; D45-A47 PolarHBondContact O-N 3.46Å; D45-R48 WeakPolarHBondContact O-CB 3.26Å; D45-R48 PolarHBondContact O-N 3.48Å; D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.01Å; D45-R48 PolarHBondContact OD1-NH1 3.41Å; D45-E49 PolarHBondContact O-N 2.94Å
46E96.6Very high95.6Very high77 Ų7761.2 Ų61.236%0.3631%0.307SS..Hα-helixtrans-58.1-47.4171.5-73174.1-158.200111.9Q42 M43 R48 E49 V50 W60 R71Q42-E46 WeakPolarHBondContact O-CG 3.3Å; Q42-E46 PolarHBondContact O-N 3.26Å; M43-E46 PolarHBondContact O-N 2.96Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.46Å; E46-E49 PolarHBondContact O-N 3.3Å; E46-V50 WeakPolarHBondContact O-CG2 3.49Å; E46-V50 PolarHBondContact O-N 2.87Å; E46-W60 HydrophobicContact CB-CZ2 4.33Å; E46-R71 IonicContact OE1-CZ 3.09Å; E46-R71 IonicContact OE1-NH1 2.78Å; E46-R71 PolarHBondContact OE1-NH1 3.43Å; E46-R71 IonicContact OE2-CZ 2.79Å; E46-R71 VanDerWaalsContact OE2-CZ 3.24Å; E46-R71 IonicContact OE2-NH1 2.82Å; E46-R71 PolarHBondContact OE2-NH1 3.26Å; E46-R71 IonicContact OE2-NH2 3.35Å; E46-R71 PolarHBondContact OE2-NH2 3.18Å
47A96.3Very high95.4Very high0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-60.8-38.9177.100000111.6L12 M43 D45 E49 V50 I51 P58 W60L12-A47 HydrophobicContact CD1-CB 4.18Å; L12-A47 HydrophobicContact CD2-CB 3.67Å; M43-A47 WeakPolarHBondContact O-CB 3.39Å; M43-A47 PolarHBondContact O-N 2.89Å; D45-A47 PolarHBondContact O-N 3.46Å; A47-E49 PolarHBondContact O-N 3.21Å; A47-V50 PolarHBondContact O-N 2.85Å; A47-I51 WeakPolarHBondContact O-CD1 3.45Å; A47-I51 WeakPolarHBondContact O-CG1 3.15Å; A47-I51 PolarHBondContact O-N 3.41Å; A47-P58 HydrophobicContact CB-CG 4.01Å; A47-W60 HydrophobicContact CB-CH2 3.82Å; A47-W60 HydrophobicContact CB-CZ2 4.42Å
48R95.4Very high95.2Very high113 Ų11363.3 Ų63.343%0.42632%0.318SS..Hα-helixtrans-64.5-38.5176.9-74.3164.7175.4164.5-2.5112.7Y9 L12 L44 D45 E46 R52Y9-R48 HydrophobicContact CD1-CG 4.29Å; Y9-R48 HydrophobicContact CE1-CB 4.09Å; Y9-R48 HydrophobicContact CE1-CG 4.02Å; Y9-R48 PolarHBondContact OH-O 3.15Å; L12-R48 HydrophobicContact CD1-CG 3.9Å; L44-R48 WeakPolarHBondContact O-CD 3.22Å; L44-R48 WeakPolarHBondContact O-CG 3.41Å; L44-R48 PolarHBondContact O-N 2.9Å; D45-R48 WeakPolarHBondContact O-CB 3.26Å; D45-R48 PolarHBondContact O-N 3.48Å; D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.01Å; D45-R48 PolarHBondContact OD1-NH1 3.41Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.46Å; R48-R52 WeakPolarHBondContact O-CB 3.44Å; R48-R52 PolarHBondContact O-N 3.07Å; R48-R52 VanDerWaalsContact O-N 3.08Å
49E95.7Very high95.1Very high99 Ų9962.5 Ų62.546%0.46333%0.329SS..Hα-helixtrans-70-41.5176-69.1-54.3137.200111.8D45 E46 A47 R52 G53D45-E49 PolarHBondContact O-N 2.94Å; E46-E49 PolarHBondContact O-N 3.3Å; A47-E49 PolarHBondContact O-N 3.21Å; E49-R52 WeakPolarHBondContact O-CB 3.42Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.16Å; E49-R52 IonicContact OE1-CZ 2.74Å; E49-R52 IonicContact OE1-NH1 3.66Å; E49-R52 PolarHBondContact OE1-NH1 3.03Å; E49-R52 IonicContact OE1-NH2 2.83Å; E49-R52 PolarHBondContact OE1-NH2 3.04Å; E49-R52 IonicContact OE2-CZ 3.3Å; E49-R52 IonicContact OE2-NH1 2.73Å; E49-R52 PolarHBondContact OE2-NH1 3.36Å; E49-G53 PolarHBondContact O-N 2.9Å
50V94.8Very high94.9Very high55 Ų5564.5 Ų64.533%0.33334%0.336SS..Hα-helixtrans-61.1-48.3174.2174.70000110.8E46 A47 R52 G53 S54 P58E46-V50 WeakPolarHBondContact O-CG2 3.49Å; E46-V50 PolarHBondContact O-N 2.87Å; A47-V50 PolarHBondContact O-N 2.85Å; V50-R52 PolarHBondContact O-N 3.29Å; V50-G53 PolarHBondContact O-N 2.93Å; V50-G53 VanDerWaalsContact O-N 3.16Å; V50-S54 WeakPolarHBondContact CG1-OG 3.34Å; V50-S54 PolarHBondContact O-N 2.89Å; V50-S54 PolarHBondContact O-OG 3.28Å; V50-P58 HydrophobicContact CB-CG 3.91Å; V50-P58 HydrophobicContact CG1-CG 3.98Å; V50-P58 HydrophobicContact CG2-CG 4.06Å
51I94.6Very high94.8Very high0 Ų065.5 Ų65.50%034%0.343CS..Hα-helixtrans-58.5-37.8175.8-64.6163.2000111.1T5 L8 Y9 L12 A47 Q55 T56 L57T5-I51 HydrophobicContact CG2-CG2 3.84Å; L8-I51 HydrophobicContact CB-CD1 4.19Å; L8-I51 HydrophobicContact CB-CG1 4.19Å; L8-I51 HydrophobicContact CB-CG2 3.87Å; L8-I51 HydrophobicContact CD1-CG2 4.17Å; Y9-I51 HydrophobicContact CD1-CD1 3.93Å; Y9-I51 HydrophobicContact CD1-CG2 4.25Å; Y9-I51 HydrophobicContact CD2-CG2 3.87Å; Y9-I51 HydrophobicContact CE1-CB 4Å; Y9-I51 HydrophobicContact CE1-CD1 4.11Å; Y9-I51 HydrophobicContact CE1-CG2 3.89Å; Y9-I51 HydrophobicContact CE2-CB 4.42Å; Y9-I51 HydrophobicContact CE2-CG2 3.48Å; Y9-I51 VanDerWaalsContact CE2-CG2 3.48Å; Y9-I51 HydrophobicContact CG-CD1 4.42Å; Y9-I51 HydrophobicContact CG-CG2 4.23Å; Y9-I51 VanDerWaalsContact CZ-CG2 3.46Å; L12-I51 HydrophobicContact CD1-CD1 3.92Å; L12-I51 HydrophobicContact CD2-CD1 4.29Å; L12-I51 HydrophobicContact CG-CD1 4.17Å; A47-I51 WeakPolarHBondContact O-CD1 3.45Å; A47-I51 WeakPolarHBondContact O-CG1 3.15Å; A47-I51 PolarHBondContact O-N 3.41Å; I51-Q55 VanDerWaalsContact O-CA 3.25Å; I51-Q55 WeakPolarHBondContact O-CA 3.19Å; I51-Q55 PolarHBondContact O-N 3.13Å; I51-Q55 VanDerWaalsContact O-N 3.12Å; I51-T56 WeakPolarHBondContact CA-O 3.48Å; I51-T56 WeakPolarHBondContact CG1-O 3.36Å; I51-L57 HydrophobicContact CD1-CD2 3.73Å; I51-L57 HydrophobicContact CG1-CD2 4.08Å
52R93Very high94.5Very high155 Ų15567.2 Ų67.259%0.58536%0.357SS*.Hα-helixtrans-67.2-41.5178.9-169.5-174.3-63.4148.99.7112Y9 R48 E49 V50Y9-R52 PolarHBondContact OH-N 3.41Å; R48-R52 WeakPolarHBondContact O-CB 3.44Å; R48-R52 PolarHBondContact O-N 3.07Å; R48-R52 VanDerWaalsContact O-N 3.08Å; E49-R52 WeakPolarHBondContact O-CB 3.42Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.16Å; E49-R52 IonicContact OE1-CZ 2.74Å; E49-R52 IonicContact OE1-NH1 3.66Å; E49-R52 PolarHBondContact OE1-NH1 3.03Å; E49-R52 IonicContact OE1-NH2 2.83Å; E49-R52 PolarHBondContact OE1-NH2 3.04Å; E49-R52 IonicContact OE2-CZ 3.3Å; E49-R52 IonicContact OE2-NH1 2.73Å; E49-R52 PolarHBondContact OE2-NH1 3.36Å; V50-R52 PolarHBondContact O-N 3.29Å
53G93Very high94.4Very high72 Ų7265.6 Ų65.674%0.74235%0.352SS*.Hα-helixtrans-84.6-47.2-174.500000114.4E49 V50E49-G53 PolarHBondContact O-N 2.9Å; V50-G53 PolarHBondContact O-N 2.93Å; V50-G53 VanDerWaalsContact O-N 3.16Å
54S92.3Very high94.4Very high62 Ų6266.4 Ų66.443%0.43436%0.355SS..Hα-helixtrans-108.8-5.8-173.362.30000114.3V50 T56V50-S54 WeakPolarHBondContact CG1-OG 3.34Å; V50-S54 PolarHBondContact O-N 2.89Å; V50-S54 PolarHBondContact O-OG 3.28Å; S54-T56 PolarHBondContact O-N 2.97Å; S54-T56 PolarHBondContact OG-OG1 2.98Å
55Q91.7Very high94.3Very high104 Ų10466.3 Ų66.349%0.48636%0.356SS..SBendtrans52.636.5-174.2-57.9-171.7-17.200112.8L8 I51L8-Q55 VanDerWaalsContact CD1-C 3.42Å; L8-Q55 WeakPolarHBondContact CD1-O 3.18Å; I51-Q55 VanDerWaalsContact O-CA 3.25Å; I51-Q55 WeakPolarHBondContact O-CA 3.19Å; I51-Q55 PolarHBondContact O-N 3.13Å; I51-Q55 VanDerWaalsContact O-N 3.12Å
56T93.6Very high94.3Very high72 Ų7268.5 Ų68.544%0.44236%0.364SS..SBendtrans-134160.4175.955.80000109.9I51 S54I51-T56 WeakPolarHBondContact CA-O 3.48Å; I51-T56 WeakPolarHBondContact CG1-O 3.36Å; S54-T56 PolarHBondContact O-N 2.97Å; S54-T56 PolarHBondContact OG-OG1 2.98Å
57L93Very high94.3Very high46 Ų4667.1 Ų67.124%0.24136%0.357CS..  trans-83.5142.6166.2-77.9165000109.4L8 Q11 L12 I51 C61L8-L57 HydrophobicContact CD2-CD1 4.23Å; L8-L57 HydrophobicContact CD2-CG 4.1Å; Q11-L57 HydrophobicContact CB-CD1 4Å; L12-L57 HydrophobicContact CD2-CD2 3.66Å; L12-L57 HydrophobicContact CG-CD2 4.5Å; I51-L57 HydrophobicContact CD1-CD2 3.73Å; I51-L57 HydrophobicContact CG1-CD2 4.08Å; L57-C61 HydrophobicContact CB-CB 4.41Å; L57-C61 HydrophobicContact CD2-CB 4.42Å
58P93.7Very high94.3Very high14 Ų1467.1 Ų67.19%0.09136%0.357CS..  trans-55.2140165-18.627.1000110.9A47 V50 W60 C61A47-P58 HydrophobicContact CB-CG 4.01Å; V50-P58 HydrophobicContact CB-CG 3.91Å; V50-P58 HydrophobicContact CG1-CG 3.98Å; V50-P58 HydrophobicContact CG2-CG 4.06Å; P58-W60 HydrophobicContact CB-CD2 3.83Å; P58-W60 HydrophobicContact CB-CG 4.14Å; P58-W60 HydrophobicContact CB-CH2 4.36Å; P58-W60 HydrophobicContact CB-CZ2 3.61Å; P58-W60 VanDerWaalsContact CB-NE1 3.33Å; P58-W60 HydrophobicContact CG-CH2 4.14Å; P58-W60 HydrophobicContact CG-CZ2 3.59Å; P58-W60 PolarHBondContact O-N 3.18Å; P58-W60 VanDerWaalsContact O-N 3.15Å; P58-C61 VanDerWaalsContact O-CB 3.25Å; P58-C61 WeakPolarHBondContact O-CB 3.49Å; P58-C61 PolarHBondContact O-N 2.86Å
59A93.8Very high94.3Very high85 Ų8564.9 Ų64.970%0.70235%0.354SS*.G310 helixtrans-56.3-34.8-178.300000113.1C61 E62A59-C61 PolarHBondContact O-N 3.35Å; A59-E62 PolarHBondContact O-N 3.33Å
60W94.2Very high94.3Very high48 Ų4862.7 Ų62.718%0.18235%0.353CS..G310 helixtrans-69-10.7178.854.7-109.7000114.3M43 E46 A47 P58 E62 N63 W64 E67M43-W60 HydrophobicContact CB-CH2 3.97Å; M43-W60 HydrophobicContact CB-CZ3 4.19Å; M43-W60 HydrophobicContact CE-CD2 4.45Å; M43-W60 HydrophobicContact CE-CE3 3.69Å; M43-W60 HydrophobicContact CE-CH2 4.35Å; M43-W60 HydrophobicContact CE-CZ3 3.65Å; M43-W60 VanDerWaalsContact O-CH2 3.29Å; M43-W60 WeakPolarHBondContact O-CH2 3.42Å; E46-W60 HydrophobicContact CB-CZ2 4.33Å; A47-W60 HydrophobicContact CB-CH2 3.82Å; A47-W60 HydrophobicContact CB-CZ2 4.42Å; P58-W60 HydrophobicContact CB-CD2 3.83Å; P58-W60 HydrophobicContact CB-CG 4.14Å; P58-W60 HydrophobicContact CB-CH2 4.36Å; P58-W60 HydrophobicContact CB-CZ2 3.61Å; P58-W60 VanDerWaalsContact CB-NE1 3.33Å; P58-W60 HydrophobicContact CG-CH2 4.14Å; P58-W60 HydrophobicContact CG-CZ2 3.59Å; P58-W60 PolarHBondContact O-N 3.18Å; P58-W60 VanDerWaalsContact O-N 3.15Å; W60-E62 PolarHBondContact O-N 3.49Å; W60-N63 CarbonylContact O-C 3.48Å; W60-N63 PolarHBondContact O-N 3.34Å; W60-N63 VanDerWaalsContact O-N 3.11Å; W60-W64 HydrophobicContact CH2-CH2 4.02Å; W60-W64 HydrophobicContact CH2-CZ2 4.47Å; W60-W64 HydrophobicContact CH2-CZ3 4.34Å; W60-W64 HydrophobicContact CZ3-CD2 4.26Å; W60-W64 HydrophobicContact CZ3-CE3 4.08Å; W60-W64 AromaticContact CZ3-CH2 3.58Å; W60-W64 HydrophobicContact CZ3-CH2 3.58Å; W60-W64 AromaticContact CZ3-CZ2 3.77Å; W60-W64 HydrophobicContact CZ3-CZ2 3.77Å; W60-W64 AromaticContact CZ3-CZ3 3.76Å; W60-W64 HydrophobicContact CZ3-CZ3 3.76Å; W60-E67 HydrophobicContact CB-CB 3.86Å; W60-E67 HydrophobicContact CB-CG 3.63Å; W60-E67 WeakPolarHBondContact CB-OE2 3.45Å; W60-E67 HydrophobicContact CD2-CG 3.97Å; W60-E67 HydrophobicContact CE3-CG 4.15Å; W60-E67 HydrophobicContact CG-CB 4.44Å; W60-E67 HydrophobicContact CG-CG 3.75Å
61C93.7Very high94.4Very high20 Ų2062.4 Ų62.414%0.13535%0.346CS..G310 helixtrans-64.3-15.9174.6-78.20000113.2L57 P58 A59 N63 W64L57-C61 HydrophobicContact CB-CB 4.41Å; L57-C61 HydrophobicContact CD2-CB 4.42Å; P58-C61 VanDerWaalsContact O-CB 3.25Å; P58-C61 WeakPolarHBondContact O-CB 3.49Å; P58-C61 PolarHBondContact O-N 2.86Å; A59-C61 PolarHBondContact O-N 3.35Å; C61-N63 VanDerWaalsContact C-N 3.3Å; C61-W64 VanDerWaalsContact O-CD1 3.25Å; C61-W64 PolarHBondContact O-NE1 2.63Å; C61-W64 VanDerWaalsContact O-NE1 3.16Å
62E92.3Very high94.4Very high186 Ų18662.4 Ų62.487%0.86935%0.346SS*.G310 helixtrans-67-30.5172.9-65.5-177.917800112.4A59 W60A59-E62 PolarHBondContact O-N 3.33Å; W60-E62 PolarHBondContact O-N 3.49Å
63N94.7Very high94.4Very high74 Ų7458.5 Ų58.540%0.39634%0.339SS..  trans-144.982.3-179.3-168.2-11.9000112W60 C61 A65 Q66 E67W60-N63 CarbonylContact O-C 3.48Å; W60-N63 PolarHBondContact O-N 3.34Å; W60-N63 VanDerWaalsContact O-N 3.11Å; C61-N63 VanDerWaalsContact C-N 3.3Å; N63-A65 VanDerWaalsContact C-N 3.28Å; N63-A65 PolarHBondContact O-N 3.14Å; N63-A65 PolarHBondContact OD1-N 2.78Å; N63-Q66 HydrophobicContact CB-CB 4.07Å; N63-Q66 VanDerWaalsContact CG-CB 3.42Å; N63-Q66 WeakPolarHBondContact ND2-CB 3.47Å; N63-Q66 PolarHBondContact ND2-OE1 3.47Å; N63-Q66 PolarHBondContact O-N 2.77Å; N63-Q66 PolarHBondContact OD1-N 3.04Å; N63-Q66 VanDerWaalsContact OD1-N 3.15Å; N63-E67 PolarHBondContact O-N 3.37Å; N63-E67 VanDerWaalsContact O-N 3.16Å
64W96.1Very high94.2Very high16 Ų1662.8 Ų62.86%0.06134%0.337CS..Hα-helixtrans-57.2-38.8179.1-7377.2000113.2L12 P13 L18 F24 L40 M43 L44 W60 C61 E67 V68L12-W64 HydrophobicContact CD2-CZ2 4.04Å; P13-W64 HydrophobicContact CG-CD2 4.28Å; P13-W64 HydrophobicContact CG-CG 4.43Å; P13-W64 HydrophobicContact CG-CZ2 4.3Å; L18-W64 HydrophobicContact CD1-CB 4.2Å; L18-W64 HydrophobicContact CD1-CD2 3.89Å; L18-W64 HydrophobicContact CD1-CE3 3.82Å; L18-W64 HydrophobicContact CD1-CG 4.06Å; L18-W64 HydrophobicContact CD2-CB 3.87Å; L18-W64 HydrophobicContact CD2-CG 3.95Å; F24-W64 HydrophobicContact CE2-CB 4.34Å; F24-W64 HydrophobicContact CZ-CB 3.94Å; L40-W64 HydrophobicContact CD2-CE3 3.75Å; L40-W64 HydrophobicContact CD2-CZ3 4.32Å; M43-W64 HydrophobicContact CB-CE3 4.34Å; M43-W64 HydrophobicContact CB-CH2 4.37Å; M43-W64 HydrophobicContact CB-CZ3 3.6Å; M43-W64 HydrophobicContact CE-CE3 3.77Å; M43-W64 HydrophobicContact CE-CZ3 4.09Å; L44-W64 HydrophobicContact CD2-CH2 3.55Å; L44-W64 HydrophobicContact CD2-CZ2 4.14Å; L44-W64 HydrophobicContact CD2-CZ3 4.19Å; L44-W64 HydrophobicContact CG-CH2 3.81Å; L44-W64 HydrophobicContact CG-CZ3 3.99Å; W60-W64 HydrophobicContact CH2-CH2 4.02Å; W60-W64 HydrophobicContact CH2-CZ2 4.47Å; W60-W64 HydrophobicContact CH2-CZ3 4.34Å; W60-W64 HydrophobicContact CZ3-CD2 4.26Å; W60-W64 HydrophobicContact CZ3-CE3 4.08Å; W60-W64 AromaticContact CZ3-CH2 3.58Å; W60-W64 HydrophobicContact CZ3-CH2 3.58Å; W60-W64 AromaticContact CZ3-CZ2 3.77Å; W60-W64 HydrophobicContact CZ3-CZ2 3.77Å; W60-W64 AromaticContact CZ3-CZ3 3.76Å; W60-W64 HydrophobicContact CZ3-CZ3 3.76Å; C61-W64 VanDerWaalsContact O-CD1 3.25Å; C61-W64 PolarHBondContact O-NE1 2.63Å; C61-W64 VanDerWaalsContact O-NE1 3.16Å; W64-E67 PolarHBondContact O-N 3.48Å; W64-V68 WeakPolarHBondContact O-CB 3.41Å; W64-V68 WeakPolarHBondContact O-CG2 3.3Å; W64-V68 PolarHBondContact O-N 2.77Å
65A95.7Very high94.1Very high11 Ų1164.8 Ų64.89%0.09134%0.34CS..Hα-helixtrans-66.1-43.5-177.900000111.4S23 F24 L27 N63 V68 D69S23-A65 WeakPolarHBondContact OG-CB 3.17Å; F24-A65 HydrophobicContact CD2-CB 4.21Å; F24-A65 HydrophobicContact CE2-CB 3.77Å; F24-A65 HydrophobicContact CZ-CB 4.07Å; L27-A65 HydrophobicContact CD1-CB 4.1Å; L27-A65 WeakPolarHBondContact CD1-O 3.19Å; N63-A65 VanDerWaalsContact C-N 3.28Å; N63-A65 PolarHBondContact O-N 3.14Å; N63-A65 PolarHBondContact OD1-N 2.78Å; A65-V68 PolarHBondContact O-N 2.89Å; A65-D69 WeakPolarHBondContact O-CB 3.22Å; A65-D69 PolarHBondContact O-N 3.22Å
66Q95.5Very high93.9Very high129 Ų12962.7 Ų62.760%0.60334%0.34SS*.Hα-helixtrans-63.4-43.5177179.3179.612.900112N63 D69 A70N63-Q66 HydrophobicContact CB-CB 4.07Å; N63-Q66 VanDerWaalsContact CG-CB 3.42Å; N63-Q66 WeakPolarHBondContact ND2-CB 3.47Å; N63-Q66 PolarHBondContact ND2-OE1 3.47Å; N63-Q66 PolarHBondContact O-N 2.77Å; N63-Q66 PolarHBondContact OD1-N 3.04Å; N63-Q66 VanDerWaalsContact OD1-N 3.15Å; Q66-D69 PolarHBondContact O-N 3.1Å; Q66-A70 WeakPolarHBondContact O-CB 3.4Å; Q66-A70 PolarHBondContact O-N 3.13Å
67E96.9Very high93.6Very high48 Ų4863.6 Ų63.622%0.22434%0.34CS..Hα-helixtrans-67.5-40.1179-17765.4-168.400111.8M43 W60 N63 W64 A70 R71M43-E67 HydrophobicContact CE-CB 3.77Å; M43-E67 HydrophobicContact CE-CG 3.43Å; M43-E67 VanDerWaalsContact CE-CG 3.43Å; M43-E67 HydrophobicContact SD-CG 4.44Å; W60-E67 HydrophobicContact CB-CB 3.86Å; W60-E67 HydrophobicContact CB-CG 3.63Å; W60-E67 WeakPolarHBondContact CB-OE2 3.45Å; W60-E67 HydrophobicContact CD2-CG 3.97Å; W60-E67 HydrophobicContact CE3-CG 4.15Å; W60-E67 HydrophobicContact CG-CB 4.44Å; W60-E67 HydrophobicContact CG-CG 3.75Å; N63-E67 PolarHBondContact O-N 3.37Å; N63-E67 VanDerWaalsContact O-N 3.16Å; W64-E67 PolarHBondContact O-N 3.48Å; E67-A70 PolarHBondContact O-N 3.35Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 WeakPolarHBondContact O-CG 3.46Å; E67-R71 PolarHBondContact O-N 2.97Å; E67-R71 IonicContact OE1-CZ 2.72Å; E67-R71 IonicContact OE1-NE 3.43Å; E67-R71 PolarHBondContact OE1-NE 3.48Å; E67-R71 IonicContact OE1-NH2 3.93Å; E67-R71 PolarHBondContact OE1-NH2 3.2Å
68V97Very high93.3Very high0 Ų064.9 Ų64.90%035%0.352CS..Hα-helixtrans-60.3-46.2173.2165.70000110.7F24 L27 V36 L39 L40 M43 W64 A65 R71 L72F24-V68 HydrophobicContact CE1-CB 4.28Å; F24-V68 HydrophobicContact CE1-CG1 4.3Å; F24-V68 HydrophobicContact CE1-CG2 4.03Å; F24-V68 HydrophobicContact CZ-CG2 4.4Å; L27-V68 HydrophobicContact CD1-CB 4.18Å; L27-V68 HydrophobicContact CD1-CG1 3.82Å; V36-V68 HydrophobicContact CG1-CG1 4.44Å; L39-V68 HydrophobicContact CD2-CB 4.35Å; L39-V68 HydrophobicContact CD2-CG1 4.14Å; L39-V68 HydrophobicContact CD2-CG2 4.26Å; L40-V68 HydrophobicContact CD2-CG2 3.6Å; L40-V68 HydrophobicContact CG-CG2 4.2Å; M43-V68 HydrophobicContact CE-CG2 3.99Å; M43-V68 HydrophobicContact SD-CG2 3.45Å; M43-V68 WeakPolarHBondContact SD-CG2 3.49Å; W64-V68 WeakPolarHBondContact O-CB 3.41Å; W64-V68 WeakPolarHBondContact O-CG2 3.3Å; W64-V68 PolarHBondContact O-N 2.77Å; A65-V68 PolarHBondContact O-N 2.89Å; V68-R71 PolarHBondContact O-N 3.01Å; V68-L72 HydrophobicContact CG1-CD1 3.62Å; V68-L72 HydrophobicContact CG1-CG 4.33Å; V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.39Å
69D96Very high93.1Very high67 Ų6769 Ų6936%0.35839%0.388SS..Hα-helixtrans-60.9-46.5177.1-167.239.5000111.9L27 Y31 A65 Q66 R71 L72 T73L27-D69 HydrophobicContact CD2-CB 3.6Å; L27-D69 WeakPolarHBondContact CD2-OD1 3.31Å; Y31-D69 WeakPolarHBondContact CE2-OD1 3.5Å; Y31-D69 PolarHBondContact OH-OD1 2.83Å; A65-D69 WeakPolarHBondContact O-CB 3.22Å; A65-D69 PolarHBondContact O-N 3.22Å; Q66-D69 PolarHBondContact O-N 3.1Å; D69-R71 PolarHBondContact O-N 3.34Å; D69-L72 PolarHBondContact O-N 3.18Å; D69-T73 WeakPolarHBondContact O-CB 3.49Å; D69-T73 PolarHBondContact O-N 3.46Å; D69-T73 PolarHBondContact O-OG1 2.94Å
70A94.7Very high93Very high52 Ų5272.3 Ų72.343%0.4339%0.392SS..Hα-helixtrans-61.4-44.9-179.200000111.9Q66 E67 K74Q66-A70 WeakPolarHBondContact O-CB 3.4Å; Q66-A70 PolarHBondContact O-N 3.13Å; E67-A70 PolarHBondContact O-N 3.35Å; A70-K74 WeakPolarHBondContact O-CB 3.33Å; A70-K74 PolarHBondContact O-N 3.47Å; A70-K74 VanDerWaalsContact O-N 3.07Å
71R96.2Very high92.9Very high49 Ų4974.3 Ų74.319%0.18540%0.4CS..Hα-helixtrans-66.9-46.4177.5-70.3-179.6-174.9-149.88.8111.8L39 E46 E67 V68 D69 K74 E75L39-R71 HydrophobicContact CD1-CB 4.44Å; L39-R71 HydrophobicContact CD2-CB 3.82Å; E46-R71 IonicContact OE1-CZ 3.09Å; E46-R71 IonicContact OE1-NH1 2.78Å; E46-R71 PolarHBondContact OE1-NH1 3.43Å; E46-R71 IonicContact OE2-CZ 2.79Å; E46-R71 VanDerWaalsContact OE2-CZ 3.24Å; E46-R71 IonicContact OE2-NH1 2.82Å; E46-R71 PolarHBondContact OE2-NH1 3.26Å; E46-R71 IonicContact OE2-NH2 3.35Å; E46-R71 PolarHBondContact OE2-NH2 3.18Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 WeakPolarHBondContact O-CG 3.46Å; E67-R71 PolarHBondContact O-N 2.97Å; E67-R71 IonicContact OE1-CZ 2.72Å; E67-R71 IonicContact OE1-NE 3.43Å; E67-R71 PolarHBondContact OE1-NE 3.48Å; E67-R71 IonicContact OE1-NH2 3.93Å; E67-R71 PolarHBondContact OE1-NH2 3.2Å; V68-R71 PolarHBondContact O-N 3.01Å; D69-R71 PolarHBondContact O-N 3.34Å; R71-K74 PolarHBondContact O-N 3.16Å; R71-E75 WeakPolarHBondContact O-CG 3.34Å; R71-E75 PolarHBondContact O-N 2.79Å
72L95.4Very high92.9Very high1 Ų178.2 Ų78.21%0.00543%0.425CS..Hα-helixtrans-68.8-35.9179.5-69175.4000112.5Y31 V36 L39 V68 D69 K74 E75 A76Y31-L72 HydrophobicContact CD1-CB 3.78Å; Y31-L72 HydrophobicContact CD1-CD1 4.4Å; Y31-L72 HydrophobicContact CD2-CB 3.93Å; Y31-L72 HydrophobicContact CD2-CD1 3.58Å; Y31-L72 HydrophobicContact CD2-CG 4.4Å; Y31-L72 HydrophobicContact CE1-CB 3.74Å; Y31-L72 HydrophobicContact CE2-CB 3.89Å; Y31-L72 HydrophobicContact CE2-CD1 4.24Å; Y31-L72 HydrophobicContact CG-CB 3.88Å; Y31-L72 HydrophobicContact CG-CD1 3.67Å; Y31-L72 HydrophobicContact CG-CG 4.32Å; V36-L72 HydrophobicContact CG2-CD1 3.99Å; L39-L72 HydrophobicContact CD2-CD1 4.22Å; L39-L72 HydrophobicContact CD2-CD2 3.82Å; L39-L72 HydrophobicContact CD2-CG 3.6Å; V68-L72 HydrophobicContact CG1-CD1 3.62Å; V68-L72 HydrophobicContact CG1-CG 4.33Å; V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.39Å; D69-L72 PolarHBondContact O-N 3.18Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-E75 PolarHBondContact O-N 3.05Å; L72-A76 WeakPolarHBondContact O-CB 3.12Å; L72-A76 PolarHBondContact O-N 2.85Å
73T92Very high93.1Very high72 Ų7271.9 Ų71.944%0.44240%0.399SS..Hα-helixtrans-59.6-46.3171.7-63.30000110.3Y31 D69 A76 Q77Y31-T73 PolarHBondContact OH-OG1 2.9Å; D69-T73 WeakPolarHBondContact O-CB 3.49Å; D69-T73 PolarHBondContact O-N 3.46Å; D69-T73 PolarHBondContact O-OG1 2.94Å; T73-A76 PolarHBondContact O-N 3.38Å; T73-Q77 PolarHBondContact O-N 2.91Å
74K89.3Confident93.3Very high163 Ų16369.3 Ų69.371%0.70939%0.385SS*.Hα-helixtrans-64.7-40.6178-174.3177.8179.4179.10112.1A70 R71 L72 Q77A70-K74 WeakPolarHBondContact O-CB 3.33Å; A70-K74 PolarHBondContact O-N 3.47Å; A70-K74 VanDerWaalsContact O-N 3.07Å; R71-K74 PolarHBondContact O-N 3.16Å; L72-K74 VanDerWaalsContact C-N 3.33Å; K74-Q77 WeakPolarHBondContact O-CB 3.37Å; K74-Q77 PolarHBondContact O-N 3.35Å
75E90Very high93.4Very high103 Ų10369.8 Ų69.848%0.48139%0.389SS..Hα-helixtrans-70.1-34.8175.8-75.6-179.1-162.700113.6R35 R71 L72 Q77R35-E75 IonicContact NH2-OE2 3.7Å; R35-E75 PolarHBondContact NH2-OE2 3.49Å; R71-E75 WeakPolarHBondContact O-CG 3.34Å; R71-E75 PolarHBondContact O-N 2.79Å; L72-E75 PolarHBondContact O-N 3.05Å; E75-Q77 PolarHBondContact O-N 2.56Å
76A88Confident93.5Very high60 Ų6069.3 Ų69.350%0.49639%0.385SS..Hα-helixtrans-75.6-12.2178.800000112.5Y31 L72 T73 S78Y31-A76 HydrophobicContact CE1-CB 4.27Å; L72-A76 WeakPolarHBondContact O-CB 3.12Å; L72-A76 PolarHBondContact O-N 2.85Å; T73-A76 PolarHBondContact O-N 3.38Å; A76-S78 PolarHBondContact O-N 3.02Å
77Q86.4Confident93.6Very high92 Ų9263.8 Ų63.843%0.4336%0.36SS..SBendtrans-64.3123.3178.1-171.516845.900110.6T73 K74 E75 A79 R81T73-Q77 PolarHBondContact O-N 2.91Å; K74-Q77 WeakPolarHBondContact O-CB 3.37Å; K74-Q77 PolarHBondContact O-N 3.35Å; E75-Q77 PolarHBondContact O-N 2.56Å; Q77-A79 PolarHBondContact O-N 3.39Å; Q77-R81 VanDerWaalsContact CD-CD 3.49Å; Q77-R81 HydrophobicContact CG-CG 4.3Å; Q77-R81 VanDerWaalsContact NE2-CD 3.29Å
78S88.4Confident93.5Very high73 Ų7361.6 Ų61.651%0.5135%0.35SS..  trans-53.8136.5176.3176.90000111A76 L80 R81A76-S78 PolarHBondContact O-N 3.02Å; S78-L80 PolarHBondContact O-N 3.17Å; S78-L80 PolarHBondContact OG-N 2.97Å; S78-L80 VanDerWaalsContact OG-N 3.08Å; S78-L80 PolarHBondContact OG-O 3.45Å; S78-R81 WeakPolarHBondContact O-CG 3.33Å
79A88.7Confident93.4Very high101 Ų10162.4 Ų62.484%0.83536%0.355SS*.SBendtrans-62.9-28.7170.400000112Q77Q77-A79 PolarHBondContact O-N 3.39Å
80L91.4Very high93.3Very high153 Ų15359.7 Ų59.780%0.80134%0.341SS*.SBendtrans-103.494.1175.7-58.1-179.7000108.7S78S78-L80 PolarHBondContact O-N 3.17Å; S78-L80 PolarHBondContact OG-N 2.97Å; S78-L80 VanDerWaalsContact OG-N 3.08Å; S78-L80 PolarHBondContact OG-O 3.45Å
81R91.5Very high93.3Very high91 Ų9157.2 Ų57.234%0.34332%0.32SS..  trans-98.7140.5178.5-57.1-175.6-67.8171.65.4110.1Q77 S78Q77-R81 VanDerWaalsContact CD-CD 3.49Å; Q77-R81 HydrophobicContact CG-CG 4.3Å; Q77-R81 VanDerWaalsContact NE2-CD 3.29Å; S78-R81 WeakPolarHBondContact O-CG 3.33Å
82P95Very high93.2Very high102 Ų10256.7 Ų56.766%0.66232%0.32SS*.  trans-57.6144164.1-21.133000110.6
83V97.1Very high93Very high52 Ų5260 Ų6032%0.31534%0.34SS..  trans-133.7154.5175.7-55.30000109.6L95 P434 I436V83-L95 HydrophobicContact CG2-CD1 4.15Å; V83-L95 HydrophobicContact CG2-CD2 4.06Å; V83-P434 CarbonylContact C-O 3.35Å; V83-P434 WeakPolarHBondContact CA-O 3.29Å; V83-P434 HydrophobicContact CB-CB 4.37Å; V83-P434 HydrophobicContact CG1-CB 3.92Å; V83-P434 HydrophobicContact CG1-CG 4.14Å; V83-I436 HydrophobicContact CB-CG1 4.33Å
84I98.2Very high93Very high21 Ų2163.3 Ų63.311%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-89.3107.4167.6-53.3-176.5000107.6L86 V433 P434 V435 I436 L451 R456 F457 M460I84-L86 HydrophobicContact CG2-CD1 4.05Å; I84-L86 HydrophobicContact CG2-CD2 3.99Å; I84-L86 HydrophobicContact CG2-CG 3.87Å; I84-L86 PolarHBondContact O-N 3.47Å; I84-V433 HydrophobicContact CD1-CG1 4.5Å; I84-V433 HydrophobicContact CG1-CG1 3.88Å; I84-P434 PolarHBondContact N-O 3.32Å; I84-V435 HydrophobicContact CB-CG2 4.23Å; I84-V435 HydrophobicContact CD1-CG2 4.1Å; I84-V435 HydrophobicContact CG1-CG2 4.43Å; I84-I436 PolarHBondContact O-N 3.38Å; I84-L451 HydrophobicContact CG2-CD1 4.06Å; I84-R456 HydrophobicContact CD1-CG 4.43Å; I84-F457 HydrophobicContact CD1-CB 4.04Å; I84-F457 HydrophobicContact CD1-CD2 4.28Å; I84-F457 HydrophobicContact CG2-CD2 4.38Å; I84-M460 HydrophobicContact CD1-CG 4.37Å
85N98.2Very high93.2Very high26 Ų2658.4 Ų58.414%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-83.5107.9178.9174.117.6000110.7T87 T89 L95 C450N85-T87 WeakPolarHBondContact OD1-CB 3.3Å; N85-T87 WeakPolarHBondContact OD1-CG2 3.49Å; N85-T87 PolarHBondContact OD1-N 3.25Å; N85-T87 PolarHBondContact OD1-OG1 3.47Å; N85-T89 PolarHBondContact ND2-O 3.1Å; N85-L95 HydrophobicContact CB-CD1 3.87Å; N85-C450 VanDerWaalsContact O-CB 3.3Å; N85-C450 WeakPolarHBondContact O-CB 3.45Å
86L98.3Very high93.4Very high0 Ų056.2 Ų56.20%034%0.342CS..  trans-123.226.3175.3-52.7177000111.2I84 G88 V435 I436 L446 D447 L448 L451 F457I84-L86 HydrophobicContact CG2-CD1 4.05Å; I84-L86 HydrophobicContact CG2-CD2 3.99Å; I84-L86 HydrophobicContact CG2-CG 3.87Å; I84-L86 PolarHBondContact O-N 3.47Å; L86-G88 PolarHBondContact O-N 2.99Å; L86-V435 HydrophobicContact CD1-CG1 3.79Å; L86-I436 CarbonylContact C-O 3.36Å; L86-I436 VanDerWaalsContact CA-O 3.27Å; L86-I436 WeakPolarHBondContact CA-O 3.36Å; L86-I436 PolarHBondContact N-O 2.98Å; L86-L446 HydrophobicContact CB-CB 4.02Å; L86-L446 HydrophobicContact CB-CD2 4.02Å; L86-L446 HydrophobicContact CD1-CB 3.9Å; L86-L446 HydrophobicContact CD1-CD1 4Å; L86-L446 HydrophobicContact CD1-CD2 4.02Å; L86-L446 HydrophobicContact CD1-CG 4.2Å; L86-D447 WeakPolarHBondContact CA-O 3.48Å; L86-D447 PolarHBondContact O-N 3.44Å; L86-L448 HydrophobicContact CD1-CD2 4.33Å; L86-L448 HydrophobicContact CD2-CD2 4.17Å; L86-L451 HydrophobicContact CD2-CB 3.78Å; L86-L451 HydrophobicContact CD2-CD1 4.46Å; L86-F457 HydrophobicContact CD1-CD2 3.95Å; L86-F457 HydrophobicContact CD1-CE2 3.42Å; L86-F457 VanDerWaalsContact CD1-CE2 3.42Å; L86-F457 HydrophobicContact CD1-CZ 4.15Å
87T96.4Very high93.8Very high14 Ų1456.5 Ų56.59%0.08633%0.33CS..SBendtrans-70.6-16.4178.262.80000112.9N85 T89 H92 I436 R438N85-T87 WeakPolarHBondContact OD1-CB 3.3Å; N85-T87 WeakPolarHBondContact OD1-CG2 3.49Å; N85-T87 PolarHBondContact OD1-N 3.25Å; N85-T87 PolarHBondContact OD1-OG1 3.47Å; T87-T89 VanDerWaalsContact C-N 3.34Å; T87-T89 PolarHBondContact OG1-N 3.09Å; T87-T89 VanDerWaalsContact OG1-N 3.14Å; T87-H92 PolarHBondContact OG1-CD2 2.73Å; T87-I436 HydrophobicContact CG2-CB 4.37Å; T87-I436 HydrophobicContact CG2-CG2 3.74Å; T87-I436 PolarHBondContact N-O 3.48Å; T87-R438 PolarHBondContact O-NH1 3.07Å
88G94.5Very high94.3Very high1 Ų152.4 Ų52.41%0.0131%0.312CS..SBendtrans80.510.6-169.700000113.8L86 S392 Q393 D447L86-G88 PolarHBondContact O-N 2.99Å; G88-S392 CarbonylContact O-C 2.83Å; G88-S392 VanDerWaalsContact O-CA 3.26Å; G88-S392 WeakPolarHBondContact O-CA 3.37Å; G88-S392 VanDerWaalsContact O-CB 3.24Å; G88-S392 WeakPolarHBondContact O-CB 3.32Å; G88-Q393 PolarHBondContact O-N 3.22Å; G88-D447 VanDerWaalsContact CA-CB 3.49Å; G88-D447 WeakPolarHBondContact CA-OD2 3.5Å
89T94.9Very high94.7Very high18 Ų1853.7 Ų53.711%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-109.8119.8174-54.20000110.6N85 T87 H92 Q393N85-T89 PolarHBondContact ND2-O 3.1Å; T87-T89 VanDerWaalsContact C-N 3.34Å; T87-T89 PolarHBondContact OG1-N 3.09Å; T87-T89 VanDerWaalsContact OG1-N 3.14Å; T89-H92 HydrophobicContact CG2-CB 4.12Å; T89-Q393 WeakPolarHBondContact CA-O 3.32Å; T89-Q393 HydrophobicContact CG2-CB 4.34Å; T89-Q393 PolarHBondContact OG1-OE1 3.24Å
90V95.6Very high95.1Very high10 Ų1051.6 Ų51.66%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-70.1-58.7-178.7-179.90000111.3H92 L356 L357 Q393 R449V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 2.78Å; V90-H92 VanDerWaalsContact O-N 3.16Å; V90-L356 HydrophobicContact CG1-CB 3.85Å; V90-L356 HydrophobicContact CG1-CD1 4.19Å; V90-L356 HydrophobicContact CG2-CB 4.4Å; V90-L357 HydrophobicContact CB-CD2 4.01Å; V90-L357 HydrophobicContact CG1-CD2 4.25Å; V90-L357 HydrophobicContact CG1-CG 4.24Å; V90-L357 HydrophobicContact CG2-CD2 3.83Å; V90-L357 HydrophobicContact CG2-CG 4.48Å; V90-Q393 PolarHBondContact N-O 3.28Å; V90-R449 HydrophobicContact CG2-CG 3.82Å
91L94.5Very high95.5Very high0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-90.964.7179.1-61.9171.1000110.5T93 A98 L296 T353 I394 G395 S396L91-T93 PolarHBondContact O-N 2.85Å; L91-A98 HydrophobicContact CD2-CB 3.85Å; L91-L296 HydrophobicContact CD1-CD2 4Å; L91-L296 HydrophobicContact CD1-CG 4.43Å; L91-T353 HydrophobicContact CD1-CG2 4.3Å; L91-T353 HydrophobicContact CD2-CG2 3.79Å; L91-T353 HydrophobicContact CG-CG2 4.24Å; L91-I394 VanDerWaalsContact CB-O 3.29Å; L91-I394 WeakPolarHBondContact CB-O 3.48Å; L91-I394 HydrophobicContact CD1-CG2 4.23Å; L91-I394 PolarHBondContact N-O 2.91Å; L91-G395 CarbonylContact O-C 3.52Å; L91-S396 WeakPolarHBondContact CB-OG 3.22Å; L91-S396 PolarHBondContact O-N 3.41Å; L91-S396 PolarHBondContact O-OG 3.33Å
92H93.6Very high95.8Very high37 Ų3746.6 Ų46.617%0.17126%0.263CS..  trans-74.8112.5-174-167.6-60.2000111.9T87 T89 V90 N94 L95 G96 R97T87-H92 PolarHBondContact OG1-CD2 2.73Å; T89-H92 HydrophobicContact CG2-CB 4.12Å; V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 2.78Å; V90-H92 VanDerWaalsContact O-N 3.16Å; H92-N94 VanDerWaalsContact C-N 3.33Å; H92-N94 PolarHBondContact ND1-N 2.98Å; H92-N94 PolarHBondContact O-N 2.9Å; H92-L95 HydrophobicContact CB-CB 4.08Å; H92-L95 HydrophobicContact CB-CD1 4.32Å; H92-L95 HydrophobicContact CB-CG 4.29Å; H92-L95 PolarHBondContact ND1-N 2.77Å; H92-L95 CarbonylContact O-C 3.59Å; H92-L95 PolarHBondContact O-N 2.9Å; H92-G96 PolarHBondContact O-N 3.41Å; H92-R97 PolarHBondContact O-N 2.87Å
93T90.5Very high95.9Very high70 Ų7043.7 Ų43.743%0.42925%0.247SC..G310 helixtrans-54.6-44-174.9-50.40000113.1L91 L95L91-T93 PolarHBondContact O-N 2.85Å; T93-L95 VanDerWaalsContact C-N 3.29Å; T93-L95 PolarHBondContact O-N 3.26Å
94N91.7Very high96Very high143 Ų14341.2 Ų41.277%0.76523%0.232SC*.G310 helixtrans-76.8-13.3-178.7-51.4-21.8000113.9H92H92-N94 VanDerWaalsContact C-N 3.33Å; H92-N94 PolarHBondContact ND1-N 2.98Å; H92-N94 PolarHBondContact O-N 2.9Å
95L95Very high96Very high59 Ų5943.6 Ų43.631%0.30925%0.248SC..G310 helixtrans-110.318.8-177.7-55.9-178.5000111.8V83 N85 H92 T93V83-L95 HydrophobicContact CG2-CD1 4.15Å; V83-L95 HydrophobicContact CG2-CD2 4.06Å; N85-L95 HydrophobicContact CB-CD1 3.87Å; H92-L95 HydrophobicContact CB-CB 4.08Å; H92-L95 HydrophobicContact CB-CD1 4.32Å; H92-L95 HydrophobicContact CB-CG 4.29Å; H92-L95 PolarHBondContact ND1-N 2.77Å; H92-L95 CarbonylContact O-C 3.59Å; H92-L95 PolarHBondContact O-N 2.9Å; T93-L95 VanDerWaalsContact C-N 3.29Å; T93-L95 PolarHBondContact O-N 3.26Å
96G94.3Very high96Very high58 Ų5848.5 Ų48.560%0.59827%0.27SS*.THydrogen-bonded Turntrans93.212.5172.500000116.2H92 A98H92-G96 PolarHBondContact O-N 3.41Å; G96-A98 PolarHBondContact O-N 3.04Å
97R94.9Very high96Very high65 Ų6549.9 Ų49.925%0.24528%0.281CS..SBendtrans56.2-123.6177.3-53.9-179175.6137.82.8113.3H92 D294 S396H92-R97 PolarHBondContact O-N 2.87Å; R97-D294 VanDerWaalsContact CB-O 3.23Å; R97-D294 WeakPolarHBondContact CB-O 3.18Å; R97-D294 WeakPolarHBondContact CD-OD2 3.3Å; R97-D294 IonicContact CZ-OD2 2.76Å; R97-D294 IonicContact NE-OD2 3.21Å; R97-D294 IonicContact NH1-OD1 3.93Å; R97-D294 PolarHBondContact NH1-OD1 3.4Å; R97-D294 IonicContact NH1-OD2 3.39Å; R97-D294 PolarHBondContact NH1-OD2 2.96Å; R97-S396 WeakPolarHBondContact CG-OG 3.42Å
98A96.8Very high96.1Very high7 Ų750.6 Ų50.66%0.05829%0.285CS..SBendtrans-71124.5-175.400000112.5L91 G96 Q100 D294L91-A98 HydrophobicContact CD2-CB 3.85Å; G96-A98 PolarHBondContact O-N 3.04Å; A98-Q100 PolarHBondContact O-NE2 3Å; A98-Q100 VanDerWaalsContact O-NE2 3.1Å; A98-D294 WeakPolarHBondContact CB-O 3.36Å; A98-D294 PolarHBondContact N-O 3.31Å
99L97.5Very high96.3Very high100 Ų10052.1 Ų52.152%0.52430%0.298SS..PPolyproline II helixtrans-68.5138.8165.7-58.3179.7000109.7P352 L356L99-P352 HydrophobicContact CB-CB 3.94Å; L99-P352 HydrophobicContact CB-CG 4.4Å; L99-L356 HydrophobicContact CD1-CD1 4.48Å
100Q98Very high96.4Very high57 Ų5756.6 Ų56.627%0.26632%0.318SS..PPolyproline II helixtrans-79.9142.1-179.6-56.7-54.6-67.200110.6A98 A104 V105 G299 P300A98-Q100 PolarHBondContact O-NE2 3Å; A98-Q100 VanDerWaalsContact O-NE2 3.1Å; Q100-A104 HydrophobicContact CB-CB 4.31Å; Q100-V105 HydrophobicContact CB-CG2 4.05Å; Q100-G299 PolarHBondContact NE2-O 2.93Å; Q100-G299 VanDerWaalsContact OE1-C 3.25Å; Q100-P300 VanDerWaalsContact OE1-N 3.09Å
101A98.4Very high96.4Very high3 Ų356.5 Ų56.53%0.02532%0.317CS..PPolyproline II helixtrans-66.9151.6169.600000110.7A103 A104 V105 L340 K350A101-A103 PolarHBondContact O-N 3.24Å; A101-A104 WeakPolarHBondContact O-CA 3.34Å; A101-A104 WeakPolarHBondContact O-CB 3.47Å; A101-A104 PolarHBondContact O-N 3.3Å; A101-V105 PolarHBondContact O-N 2.96Å; A101-V105 VanDerWaalsContact O-N 3.08Å; A101-L340 HydrophobicContact CB-CD1 3.65Å; A101-K350 WeakPolarHBondContact CB-O 2.99Å
102E98.1Very high96.5Very high136 Ų13661.9 Ų61.964%0.63634%0.344SS*.Hα-helixtrans-53.5-40.9177.5-69.1-55.3132.900112.2A104 V105 E106E102-A104 PolarHBondContact O-N 3.09Å; E102-V105 WeakPolarHBondContact O-CB 3.26Å; E102-V105 PolarHBondContact O-N 3.17Å; E102-E106 WeakPolarHBondContact O-CB 3.27Å; E102-E106 WeakPolarHBondContact O-CG 3.4Å; E102-E106 PolarHBondContact O-N 3.1Å
103A98.3Very high96.7Very high40 Ų4070 Ų7033%0.33137%0.373SS..Hα-helixtrans-57.4-34.9175.300000113.1A101 A107 A336A101-A103 PolarHBondContact O-N 3.24Å; A103-A107 VanDerWaalsContact O-CB 3.29Å; A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 3.21Å; A103-A336 WeakPolarHBondContact O-CB 3.32Å
104A98.5Very high96.9Very high1 Ų168.8 Ų68.81%0.00837%0.367CS..Hα-helixtrans-74.6-39.4175.700000111.8Q100 A101 E102 A107 V108 A333 A336Q100-A104 HydrophobicContact CB-CB 4.31Å; A101-A104 WeakPolarHBondContact O-CA 3.34Å; A101-A104 WeakPolarHBondContact O-CB 3.47Å; A101-A104 PolarHBondContact O-N 3.3Å; E102-A104 PolarHBondContact O-N 3.09Å; A104-A107 PolarHBondContact O-N 3Å; A104-V108 WeakPolarHBondContact O-CG2 3.37Å; A104-V108 PolarHBondContact O-N 3.37Å; A104-A333 HydrophobicContact CB-CB 4.05Å; A104-A336 HydrophobicContact CB-CB 4.23Å
105V98.4Very high97Very high71 Ų7168.4 Ų68.443%0.4337%0.373SS..Hα-helixtrans-61.5-46.8174.41780000110.8Q100 A101 E102 V108 A109Q100-V105 HydrophobicContact CB-CG2 4.05Å; A101-V105 PolarHBondContact O-N 2.96Å; A101-V105 VanDerWaalsContact O-N 3.08Å; E102-V105 WeakPolarHBondContact O-CB 3.26Å; E102-V105 PolarHBondContact O-N 3.17Å; V105-V108 PolarHBondContact O-N 3.05Å; V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 2.94Å
106E98.3Very high96.9Very high129 Ų12968.8 Ų68.860%0.60338%0.378SS*.Hα-helixtrans-61.1-45.1176.5-71.6174.7175.100111.8E102 V108 A109 Q110E102-E106 WeakPolarHBondContact O-CB 3.27Å; E102-E106 WeakPolarHBondContact O-CG 3.4Å; E102-E106 PolarHBondContact O-N 3.1Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.48Å; E106-A109 PolarHBondContact O-N 3.5Å; E106-Q110 WeakPolarHBondContact O-CB 3.31Å; E106-Q110 PolarHBondContact O-N 3.06Å
107A97.7Very high96.8Very high28 Ų2870.1 Ų70.123%0.23137%0.374CS..Hα-helixtrans-60.6-42.517700000112.1A103 A104 Q110 A111 A332 A336A103-A107 VanDerWaalsContact O-CB 3.29Å; A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 3.21Å; A104-A107 PolarHBondContact O-N 3Å; A107-Q110 PolarHBondContact O-N 3.02Å; A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.44Å; A107-A332 HydrophobicContact CB-CB 4.33Å; A107-A336 HydrophobicContact CB-CB 3.82Å
108V98.2Very high96.6Very high30 Ų3069.3 Ų69.318%0.18237%0.374CS..Hα-helixtrans-63.1-48174.5170.80000111A104 V105 E106 Q110 A111 M112 M329 A333A104-V108 WeakPolarHBondContact O-CG2 3.37Å; A104-V108 PolarHBondContact O-N 3.37Å; V105-V108 PolarHBondContact O-N 3.05Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.48Å; V108-Q110 VanDerWaalsContact C-N 3.28Å; V108-Q110 PolarHBondContact O-N 2.89Å; V108-A111 PolarHBondContact O-N 2.88Å; V108-M112 HydrophobicContact CG1-CG 4.29Å; V108-M112 HydrophobicContact CG1-SD 3.87Å; V108-M112 WeakPolarHBondContact O-CB 3.36Å; V108-M112 VanDerWaalsContact O-CG 3.3Å; V108-M112 WeakPolarHBondContact O-CG 3.35Å; V108-M112 PolarHBondContact O-N 3.13Å; V108-M329 HydrophobicContact CG1-CB 4Å; V108-M329 HydrophobicContact CG1-CG 4.09Å; V108-M329 HydrophobicContact CG2-CB 4.34Å; V108-M329 WeakPolarHBondContact CG2-O 3.45Å; V108-A333 HydrophobicContact CG2-CB 3.63Å
109A98.3Very high96.3Very high33 Ų3371.6 Ų71.627%0.27338%0.384SS..Hα-helixtrans-57.9-42.5178.700000111.4V105 E106 M112 R113V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 2.94Å; E106-A109 PolarHBondContact O-N 3.5Å; A109-M112 PolarHBondContact O-N 2.85Å; A109-R113 WeakPolarHBondContact O-CB 3.46Å; A109-R113 VanDerWaalsContact O-CG 3.23Å; A109-R113 WeakPolarHBondContact O-CG 3.48Å; A109-R113 PolarHBondContact O-N 3.33Å
110Q96.9Very high95.9Very high112 Ų11272.4 Ų72.452%0.52338%0.381SS..Hα-helixtrans-63.9-46.5175.9-176.26119.800112E106 A107 V108 M112 R113 S114E106-Q110 WeakPolarHBondContact O-CB 3.31Å; E106-Q110 PolarHBondContact O-N 3.06Å; A107-Q110 PolarHBondContact O-N 3.02Å; V108-Q110 VanDerWaalsContact C-N 3.28Å; V108-Q110 PolarHBondContact O-N 2.89Å; Q110-M112 PolarHBondContact O-N 3.29Å; Q110-R113 PolarHBondContact O-N 2.97Å; Q110-S114 PolarHBondContact O-N 3.15Å
111A96.2Very high95.5Very high7 Ų770.9 Ų70.96%0.05837%0.374CS..Hα-helixtrans-64.8-23.2177.500000113.3A107 V108 V116 K328 A332A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.44Å; V108-A111 PolarHBondContact O-N 2.88Å; A111-V116 HydrophobicContact CB-CG1 4.42Å; A111-K328 WeakPolarHBondContact O-CE 3.41Å; A111-K328 PolarHBondContact O-NZ 3.26Å; A111-A332 HydrophobicContact CB-CB 3.79Å
112M97.2Very high95Very high114 Ų11476.7 Ų76.756%0.56241%0.405SS*.Hα-helixtrans-82.9-36.8173.8-71.9-177.974.800112.9V108 A109 Q110 M329V108-M112 HydrophobicContact CG1-CG 4.29Å; V108-M112 HydrophobicContact CG1-SD 3.87Å; V108-M112 WeakPolarHBondContact O-CB 3.36Å; V108-M112 VanDerWaalsContact O-CG 3.3Å; V108-M112 WeakPolarHBondContact O-CG 3.35Å; V108-M112 PolarHBondContact O-N 3.13Å; A109-M112 PolarHBondContact O-N 2.85Å; Q110-M112 PolarHBondContact O-N 3.29Å; M112-M329 HydrophobicContact CE-SD 4.35Å; M112-M329 HydrophobicContact CG-CG 4.15Å; M112-M329 HydrophobicContact CG-SD 4.28Å; M112-M329 HydrophobicContact SD-CG 4.38Å; M112-M329 HydrophobicContact SD-SD 3.9Å
113R97.4Very high94.5Very high207 Ų20777.5 Ų77.578%0.78141%0.413SS*.Hα-helixtrans-78.1-23.5-175.5-73.5173.7-170.4-90.12.2114.3A109 Q110A109-R113 WeakPolarHBondContact O-CB 3.46Å; A109-R113 VanDerWaalsContact O-CG 3.23Å; A109-R113 WeakPolarHBondContact O-CG 3.48Å; A109-R113 PolarHBondContact O-N 3.33Å; Q110-R113 PolarHBondContact O-N 2.97Å
114S94.8Very high93.9Very high44 Ų4481.9 Ų81.931%0.30843%0.431SS..SBendtrans-133.5154.2-173.4-57.90000112.5Q110Q110-S114 PolarHBondContact O-N 3.15Å
115P93.9Very high93.3Very high135 Ų13585 Ų8588%0.87746%0.457SS*.  trans-55.1140.3156.8-20.633.1000109.9
116V93.3Very high92.6Very high68 Ų6882.8 Ų82.841%0.41245%0.448SS..  trans-133.4159.1-179.5-670000110A111 L118A111-V116 HydrophobicContact CB-CG1 4.42Å; V116-L118 HydrophobicContact CG2-CB 4.19Å; V116-L118 PolarHBondContact O-N 3.04Å
117T91.4Very high92.1Very high85 Ų8586.8 Ų86.852%0.52146%0.458SS..  trans-73.653.5177.247.70000112.1L122T117-L122 HydrophobicContact CG2-CD1 4.17Å; T117-L122 HydrophobicContact CG2-CD2 3.85Å; T117-L122 HydrophobicContact CG2-CG 3.92Å
118L90.8Very high91.5Very high48 Ų4886.3 Ų86.325%0.25146%0.456SS..SBendtrans-67.6-47.1-175.9-177.966.5000112.1V116 R130 K328 L331V116-L118 HydrophobicContact CG2-CB 4.19Å; V116-L118 PolarHBondContact O-N 3.04Å; L118-R130 HydrophobicContact CD1-CB 4.19Å; L118-R130 HydrophobicContact CG-CB 4.32Å; L118-R130 WeakPolarHBondContact O-CA 3.32Å; L118-R130 WeakPolarHBondContact O-CB 3.26Å; L118-K328 HydrophobicContact CD1-CB 3.9Å; L118-K328 HydrophobicContact CD2-CB 3.83Å; L118-K328 HydrophobicContact CG-CB 4.48Å; L118-L331 HydrophobicContact CD1-CD1 3.9Å
119E90.9Very high90.9Very high55 Ų5589.3 Ų89.326%0.25747%0.468SS..SBendtrans-130.731.6177.2-72.8-176145.900110R127 G128 R130 R325E119-R127 CarbonylContact O-C 3.6Å; E119-R127 WeakPolarHBondContact O-CA 3.42Å; E119-G128 PolarHBondContact O-N 3.08Å; E119-R130 VanDerWaalsContact CD-NE 3.34Å; E119-R130 HydrophobicContact CG-CB 3.69Å; E119-R130 HydrophobicContact CG-CG 4.34Å; E119-R130 IonicContact OE1-CZ 2.78Å; E119-R130 VanDerWaalsContact OE1-CZ 3.31Å; E119-R130 IonicContact OE1-NE 2.72Å; E119-R130 PolarHBondContact OE1-NE 3.4Å; E119-R130 IonicContact OE1-NH2 3.78Å; E119-R130 PolarHBondContact OE1-NH2 2.84Å; E119-R130 VanDerWaalsContact OE1-NH2 3.09Å; E119-R130 IonicContact OE2-CZ 3.18Å; E119-R130 IonicContact OE2-NE 2.73Å; E119-R130 IonicContact OE2-NH2 2.78Å; E119-R130 PolarHBondContact OE2-NH2 3.44Å; E119-R325 IonicContact OE1-CZ 2.73Å; E119-R325 IonicContact OE1-NH1 3.96Å; E119-R325 PolarHBondContact OE1-NH1 2.85Å; E119-R325 IonicContact OE2-NH1 2.67Å; E119-R325 PolarHBondContact OE2-NH1 3.01Å
120Y90.1Very high90.5Very high117 Ų11789.1 Ų89.146%0.45946%0.46SS..EExtended strand (participates in β ladder)trans-124118.3-176.3-166-86.7000109.3L122 A125 G126Y120-L122 HydrophobicContact CD1-CD2 4.1Å; Y120-L122 HydrophobicContact CE1-CD2 4.14Å; Y120-A125 WeakPolarHBondContact OH-CA 3.45Å; Y120-A125 PolarHBondContact OH-O 3.23Å; Y120-G126 WeakPolarHBondContact CA-O 3.33Å
121D88.8Confident90.1Very high25 Ų2583.9 Ų83.913%0.13444%0.435CS..EExtended strand (participates in β ladder)trans-85.9125172.7-160.2-38.7000108.7D123 D124 A125 G126 R132D121-D123 PolarHBondContact OD1-N 2.72Å; D121-D124 HydrophobicContact CB-CB 4.48Å; D121-A125 VanDerWaalsContact O-CA 3.3Å; D121-A125 WeakPolarHBondContact O-CA 3.34Å; D121-A125 PolarHBondContact O-N 3.31Å; D121-A125 VanDerWaalsContact O-N 3.12Å; D121-G126 PolarHBondContact N-O 3.19Å; D121-G126 PolarHBondContact O-N 3.23Å; D121-R132 IonicContact OD2-NH1 2.83Å; D121-R132 PolarHBondContact OD2-NH1 2.88Å
122L87.7Confident89.7Confident126 Ų12690 Ų9066%0.6646%0.457SS*.THydrogen-bonded Turntrans-75.4-28.4-179.5-70.4175.1000112T117 Y120T117-L122 HydrophobicContact CG2-CD1 4.17Å; T117-L122 HydrophobicContact CG2-CD2 3.85Å; T117-L122 HydrophobicContact CG2-CG 3.92Å; Y120-L122 HydrophobicContact CD1-CD2 4.1Å; Y120-L122 HydrophobicContact CE1-CD2 4.14Å
123D88.3Confident89.3Confident153 Ų15387 Ų8782%0.81845%0.451SS*.THydrogen-bonded Turntrans-76-45.9-176.9-66.1-29.8000110.6D121D121-D123 PolarHBondContact OD1-N 2.72Å
124D86Confident89.2Confident132 Ų13277.6 Ų77.671%0.70642%0.416SS*.THydrogen-bonded Turntrans-89.4-1.3179.8-69.7-31.2000113.3D121 G126D121-D124 HydrophobicContact CB-CB 4.48Å; D124-G126 PolarHBondContact O-N 2.72Å; D124-G126 VanDerWaalsContact O-N 3.13Å
125A84.3Confident89.3Confident66 Ų6675.8 Ų75.855%0.54540%0.403SS..THydrogen-bonded Turntrans45.941.2-173.300000112.9Y120 D121Y120-A125 WeakPolarHBondContact OH-CA 3.45Å; Y120-A125 PolarHBondContact OH-O 3.23Å; D121-A125 VanDerWaalsContact O-CA 3.3Å; D121-A125 WeakPolarHBondContact O-CA 3.34Å; D121-A125 PolarHBondContact O-N 3.31Å; D121-A125 VanDerWaalsContact O-N 3.12Å
126G84.9Confident89.4Confident25 Ų2575.2 Ų75.226%0.25839%0.389SS..EExtended strand (participates in β ladder)trans-143.4-176.4-16300000113.4Y120 D121 D124 G128Y120-G126 WeakPolarHBondContact CA-O 3.33Å; D121-G126 PolarHBondContact N-O 3.19Å; D121-G126 PolarHBondContact O-N 3.23Å; D124-G126 PolarHBondContact O-N 2.72Å; D124-G126 VanDerWaalsContact O-N 3.13Å; G126-G128 PolarHBondContact O-N 3.13Å
127R86.7Confident89.6Confident213 Ų21372.9 Ų72.980%0.80437%0.374SS*.EExtended strand (participates in β ladder)trans-71.6116178.7-175.4176.6179.6-178.4-2.3110.3E119E119-R127 CarbonylContact O-C 3.6Å; E119-R127 WeakPolarHBondContact O-CA 3.42Å
128G84.9Confident89.9Confident18 Ų1868.8 Ų68.819%0.18635%0.349CS..  trans-96.3173.1172.800000113.4E119 G126E119-G128 PolarHBondContact O-N 3.08Å; G126-G128 PolarHBondContact O-N 3.13Å
129H85.9Confident90.2Very high93 Ų9367.7 Ų67.743%0.43135%0.345SS..  trans-93.6121.3171.6-161.8-82000110.2D131 R132 Q316H129-D131 IonicContact CE1-OD2 2.98Å; H129-D131 PolarHBondContact O-N 2.91Å; H129-D131 VanDerWaalsContact O-N 3.09Å; H129-R132 HydrophobicContact CB-CB 4.46Å; H129-R132 VanDerWaalsContact O-CB 3.28Å; H129-R132 WeakPolarHBondContact O-CB 3.24Å; H129-R132 PolarHBondContact O-N 2.86Å; H129-Q316 PolarHBondContact CE1-OE1 3.29Å; H129-Q316 PolarHBondContact NE2-OE1 3.05Å
130R90.9Very high90.6Very high29 Ų2974 Ų7411%0.10937%0.367CS..THydrogen-bonded Turntrans-59-27.1-172.358.2172.868.8-158-15.9116.7L118 E119 R325 A326 L331L118-R130 HydrophobicContact CD1-CB 4.19Å; L118-R130 HydrophobicContact CG-CB 4.32Å; L118-R130 WeakPolarHBondContact O-CA 3.32Å; L118-R130 WeakPolarHBondContact O-CB 3.26Å; E119-R130 VanDerWaalsContact CD-NE 3.34Å; E119-R130 HydrophobicContact CG-CB 3.69Å; E119-R130 HydrophobicContact CG-CG 4.34Å; E119-R130 IonicContact OE1-CZ 2.78Å; E119-R130 VanDerWaalsContact OE1-CZ 3.31Å; E119-R130 IonicContact OE1-NE 2.72Å; E119-R130 PolarHBondContact OE1-NE 3.4Å; E119-R130 IonicContact OE1-NH2 3.78Å; E119-R130 PolarHBondContact OE1-NH2 2.84Å; E119-R130 VanDerWaalsContact OE1-NH2 3.09Å; E119-R130 IonicContact OE2-CZ 3.18Å; E119-R130 IonicContact OE2-NE 2.73Å; E119-R130 IonicContact OE2-NH2 2.78Å; E119-R130 PolarHBondContact OE2-NH2 3.44Å; R130-R325 VanDerWaalsContact CZ-NH1 3.29Å; R130-R325 VanDerWaalsContact NE-CD 3.28Å; R130-R325 VanDerWaalsContact NH1-NE 3.14Å; R130-R325 VanDerWaalsContact NH2-NH2 3.12Å; R130-A326 PolarHBondContact NH1-O 3.07Å; R130-L331 HydrophobicContact CB-CD1 4.1Å; R130-L331 HydrophobicContact CG-CD1 4.14Å
131D87.5Confident90.9Very high1 Ų169.8 Ų69.81%0.00535%0.352CS..THydrogen-bonded Turntrans-89.5-4.8-177.1-55.9-26.5000112H129 A133 L134 A135 I149 K321H129-D131 IonicContact CE1-OD2 2.98Å; H129-D131 PolarHBondContact O-N 2.91Å; H129-D131 VanDerWaalsContact O-N 3.09Å; D131-A133 PolarHBondContact O-N 2.82Å; D131-L134 PolarHBondContact O-N 2.8Å; D131-A135 WeakPolarHBondContact O-CB 3.39Å; D131-A135 PolarHBondContact O-N 2.8Å; D131-I149 HydrophobicContact CB-CD1 4.24Å; D131-K321 IonicContact OD2-NZ 3.77Å; D131-K321 PolarHBondContact OD2-NZ 2.6Å
132R89Confident91.3Very high135 Ų13568.9 Ų68.951%0.50935%0.347SS..Hα-helixtrans-58.3-50.3-166.3-175.6179.6-178.2-1771.9113.2D121 H129 L134 A135 Q136D121-R132 IonicContact OD2-NH1 2.83Å; D121-R132 PolarHBondContact OD2-NH1 2.88Å; H129-R132 HydrophobicContact CB-CB 4.46Å; H129-R132 VanDerWaalsContact O-CB 3.28Å; H129-R132 WeakPolarHBondContact O-CB 3.24Å; H129-R132 PolarHBondContact O-N 2.86Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-A135 PolarHBondContact O-N 3.4Å; R132-Q136 WeakPolarHBondContact O-CG 3.39Å; R132-Q136 PolarHBondContact O-N 3.3Å; R132-Q136 VanDerWaalsContact O-N 3.11Å
133A88.6Confident91.8Very high53 Ų5365.8 Ų65.844%0.43835%0.345SS..Hα-helixtrans-64.8-40.5-179.100000111.8D131 Q136 L137D131-A133 PolarHBondContact O-N 2.82Å; A133-Q136 PolarHBondContact O-N 2.91Å; A133-L137 PolarHBondContact O-N 2.93Å
134L95.2Very high92.3Very high8 Ų858.9 Ų58.94%0.04231%0.31CS..Hα-helixtrans-69.6-36.6177.1-74.482.2000111.9D131 R132 Q136 L137 L138 I149 L331 L334 E335D131-L134 PolarHBondContact O-N 2.8Å; R132-L134 PolarHBondContact O-N 3.46Å; L134-Q136 VanDerWaalsContact C-N 3.35Å; L134-L137 PolarHBondContact O-N 3.41Å; L134-L138 WeakPolarHBondContact O-CB 3.39Å; L134-L138 WeakPolarHBondContact O-CG 3.31Å; L134-L138 PolarHBondContact O-N 3.24Å; L134-I149 HydrophobicContact CB-CD1 3.46Å; L134-I149 VanDerWaalsContact CB-CD1 3.46Å; L134-I149 HydrophobicContact CD2-CD1 3.88Å; L134-I149 HydrophobicContact CG-CD1 4.32Å; L134-L331 HydrophobicContact CD2-CB 4.43Å; L134-L331 HydrophobicContact CD2-CD2 3.9Å; L134-L331 WeakPolarHBondContact CD2-O 3.48Å; L134-L334 HydrophobicContact CD2-CB 4Å; L134-L334 HydrophobicContact CD2-CD2 3.91Å; L134-L334 HydrophobicContact CD2-CG 3.96Å; L134-E335 HydrophobicContact CD1-CB 4.08Å; L134-E335 HydrophobicContact CD1-CG 4.21Å; L134-E335 HydrophobicContact CD2-CB 4.12Å; L134-E335 HydrophobicContact CG-CB 3.93Å; L134-E335 HydrophobicContact CG-CG 4.19Å
135A96.2Very high92.9Very high6 Ų657.4 Ų57.45%0.0530%0.299CS..Hα-helixtrans-61.7-44.5176.400000111D131 R132 L137 L138 C139 A147D131-A135 WeakPolarHBondContact O-CB 3.39Å; D131-A135 PolarHBondContact O-N 2.8Å; R132-A135 PolarHBondContact O-N 3.4Å; A135-L137 VanDerWaalsContact C-N 3.32Å; A135-L137 PolarHBondContact O-N 2.91Å; A135-L138 PolarHBondContact O-N 3.48Å; A135-C139 PolarHBondContact O-N 2.74Å; A135-C139 PolarHBondContact O-SG 2.6Å; A135-A147 HydrophobicContact CB-CB 4.02Å
136Q95.8Very high93.6Very high123 Ų12356.4 Ų56.458%0.57528%0.284SS*.Hα-helixtrans-59.4-42174.1-70.2173.9-5.100112.4R132 A133 L134 C139 R140R132-Q136 WeakPolarHBondContact O-CG 3.39Å; R132-Q136 PolarHBondContact O-N 3.3Å; R132-Q136 VanDerWaalsContact O-N 3.11Å; A133-Q136 PolarHBondContact O-N 2.91Å; L134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-C139 PolarHBondContact O-N 2.79Å; Q136-R140 WeakPolarHBondContact O-CB 2.79Å; Q136-R140 PolarHBondContact O-N 2.99Å
137L97.2Very high94.2Very high19 Ų1955.2 Ų55.210%0.09927%0.272CS..Hα-helixtrans-65.7-43176.9-178.354.1000112A133 L134 A135 R140 I141 L338 R339 L342A133-L137 PolarHBondContact O-N 2.93Å; L134-L137 PolarHBondContact O-N 3.41Å; A135-L137 VanDerWaalsContact C-N 3.32Å; A135-L137 PolarHBondContact O-N 2.91Å; L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 3.35Å; L137-I141 HydrophobicContact CD1-CD1 3.89Å; L137-I141 HydrophobicContact CD1-CG1 4.34Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 WeakPolarHBondContact O-CG1 3.49Å; L137-I141 PolarHBondContact O-N 3.18Å; L137-L338 HydrophobicContact CD2-CB 3.37Å; L137-L338 HydrophobicContact CD2-CD1 4.25Å; L137-L338 HydrophobicContact CD2-CG 4.47Å; L137-L338 HydrophobicContact CG-CB 3.86Å; L137-L338 HydrophobicContact CG-CD1 4.4Å; L137-R339 HydrophobicContact CD2-CG 4.07Å; L137-L342 HydrophobicContact CD1-CD1 3.71Å; L137-L342 HydrophobicContact CD1-CD2 3.89Å; L137-L342 HydrophobicContact CD1-CG 3.96Å
138L98.2Very high94.7Very high0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-61.4-45.1174.2-75.2166.9000111.6L134 A135 R140 I141 T142 A147 I149 I304 V306 L338L134-L138 WeakPolarHBondContact O-CB 3.39Å; L134-L138 WeakPolarHBondContact O-CG 3.31Å; L134-L138 PolarHBondContact O-N 3.24Å; A135-L138 PolarHBondContact O-N 3.48Å; L138-R140 VanDerWaalsContact C-N 3.31Å; L138-R140 PolarHBondContact O-N 3.3Å; L138-I141 PolarHBondContact O-N 3.3Å; L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 WeakPolarHBondContact O-CG2 3.24Å; L138-T142 PolarHBondContact O-N 3.32Å; L138-T142 PolarHBondContact O-OG1 2.77Å; L138-A147 HydrophobicContact CB-CB 3.94Å; L138-A147 HydrophobicContact CD1-CB 3.84Å; L138-I149 HydrophobicContact CD1-CD1 3.85Å; L138-I149 HydrophobicContact CD1-CG1 3.89Å; L138-I304 HydrophobicContact CD1-CG2 3.72Å; L138-I304 HydrophobicContact CD2-CG2 3.87Å; L138-I304 HydrophobicContact CG-CG2 4.44Å; L138-V306 HydrophobicContact CB-CG1 4.28Å; L138-L338 HydrophobicContact CD2-CD1 3.79Å; L138-L338 HydrophobicContact CD2-CD2 3.76Å; L138-L338 HydrophobicContact CD2-CG 4.46Å; L138-L338 HydrophobicContact CG-CD1 3.83Å
139C98.3Very high95.4Very high24 Ų2444.2 Ų44.216%0.16223%0.225CC..Hα-helixtrans-60.5-41.8175.8-65.20000111.5A135 Q136 I141 T142 G143 A144 D146A135-C139 PolarHBondContact O-N 2.74Å; A135-C139 PolarHBondContact O-SG 2.6Å; Q136-C139 PolarHBondContact O-N 2.79Å; C139-I141 VanDerWaalsContact C-N 3.32Å; C139-I141 PolarHBondContact O-N 3.13Å; C139-T142 PolarHBondContact O-N 2.82Å; C139-G143 WeakPolarHBondContact O-CA 3.44Å; C139-G143 PolarHBondContact O-N 3.31Å; C139-A144 VanDerWaalsContact CB-O 3.31Å; C139-A144 WeakPolarHBondContact CB-O 3.43Å; C139-A144 PolarHBondContact SG-O 2.73Å; C139-D146 VanDerWaalsContact SG-C 3.59Å; C139-D146 WeakPolarHBondContact SG-CA 3.39Å
140R97.5Very high95.9Very high189 Ų18939.8 Ų39.871%0.71320%0.204SC*.Hα-helixtrans-60.8-40.1175.5-179178.5177-177.9-1.6112.5Q136 L137 L138Q136-R140 WeakPolarHBondContact O-CB 2.79Å; Q136-R140 PolarHBondContact O-N 2.99Å; L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 3.35Å; L138-R140 VanDerWaalsContact C-N 3.31Å; L138-R140 PolarHBondContact O-N 3.3Å
141I97.4Very high96.3Very high28 Ų2841.5 Ų41.514%0.14422%0.216CC..Hα-helixtrans-78.6-36.9-178.3-66.4163.8000111.7L137 L138 C139 L264 Q279 L338 L342L137-I141 HydrophobicContact CD1-CD1 3.89Å; L137-I141 HydrophobicContact CD1-CG1 4.34Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 WeakPolarHBondContact O-CG1 3.49Å; L137-I141 PolarHBondContact O-N 3.18Å; L138-I141 PolarHBondContact O-N 3.3Å; C139-I141 VanDerWaalsContact C-N 3.32Å; C139-I141 PolarHBondContact O-N 3.13Å; I141-L264 HydrophobicContact CG2-CB 4.45Å; I141-L264 HydrophobicContact CG2-CD1 4.17Å; I141-L264 HydrophobicContact CG2-CD2 4.49Å; I141-Q279 WeakPolarHBondContact O-CG 3.46Å; I141-Q279 PolarHBondContact O-NE2 3.08Å; I141-L338 HydrophobicContact CD1-CB 4.14Å; I141-L338 HydrophobicContact CD1-CD2 3.97Å; I141-L342 HydrophobicContact CG1-CD2 4.19Å
142T98Very high96.7Very high5 Ų543.5 Ų43.53%0.03123%0.226CC..Hα-helixtrans-99.7-20.1-169.862.40000114.7L138 C139 A144 L264 P278 V306L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 WeakPolarHBondContact O-CG2 3.24Å; L138-T142 PolarHBondContact O-N 3.32Å; L138-T142 PolarHBondContact O-OG1 2.77Å; C139-T142 PolarHBondContact O-N 2.82Å; T142-A144 PolarHBondContact O-N 2.82Å; T142-A144 WeakPolarHBondContact OG1-CB 3.42Å; T142-A144 PolarHBondContact OG1-N 2.79Å; T142-L264 HydrophobicContact CG2-CD2 4.25Å; T142-P278 HydrophobicContact CG2-CB 4.39Å; T142-P278 HydrophobicContact CG2-CG 4.19Å; T142-V306 HydrophobicContact CG2-CG1 4.28Å; T142-V306 HydrophobicContact CG2-CG2 4.46Å
143G98Very high97Very high61 Ų6137.8 Ų37.863%0.62921%0.206SC*.  trans76.95.9-170.800000114.3C139C139-G143 WeakPolarHBondContact O-CA 3.44Å; C139-G143 PolarHBondContact O-N 3.31Å
144A98.5Very high97.3Very high8 Ų836.9 Ų36.97%0.06620%0.198CC..  trans-69.1158.8175.100000112.5C139 T142 I282 V306C139-A144 VanDerWaalsContact CB-O 3.31Å; C139-A144 WeakPolarHBondContact CB-O 3.43Å; C139-A144 PolarHBondContact SG-O 2.73Å; T142-A144 PolarHBondContact O-N 2.82Å; T142-A144 WeakPolarHBondContact OG1-CB 3.42Å; T142-A144 PolarHBondContact OG1-N 2.79Å; A144-I282 HydrophobicContact CB-CD1 4.38Å; A144-I282 HydrophobicContact CB-CG1 4.3Å; A144-I282 HydrophobicContact CB-CG2 4.38Å; A144-V306 HydrophobicContact CB-CB 3.68Å; A144-V306 HydrophobicContact CB-CG2 4.34Å
145E98.4Very high97.4Very high102 Ų10236.8 Ų36.848%0.47720%0.199SC..SBendtrans-78.4-35178.9-60.7171.3-172.700111.7G307 K308 K309E145-G307 WeakPolarHBondContact CB-O 3.25Å; E145-G307 PolarHBondContact N-O 3.03Å; E145-K308 VanDerWaalsContact CD-CD 3.48Å; E145-K308 WeakPolarHBondContact OE1-CD 3.3Å; E145-K308 IonicContact OE1-NZ 3.6Å; E145-K308 PolarHBondContact OE1-NZ 2.91Å; E145-K308 WeakPolarHBondContact OE2-CA 3.27Å; E145-K308 WeakPolarHBondContact OE2-CD 3.1Å; E145-K309 HydrophobicContact CB-CB 4Å; E145-K309 PolarHBondContact OE2-N 2.9Å
146D98.1Very high97.5Very high45 Ų4536.5 Ų36.524%0.24120%0.197CC..EExtended strand (participates in β ladder)trans-154.9172176.2-155.6-8.2000111C139 G307 K309 I312C139-D146 VanDerWaalsContact SG-C 3.59Å; C139-D146 WeakPolarHBondContact SG-CA 3.39Å; D146-G307 PolarHBondContact N-O 2.74Å; D146-G307 VanDerWaalsContact N-O 3.15Å; D146-G307 PolarHBondContact O-N 3.1Å; D146-G307 VanDerWaalsContact O-N 3.08Å; D146-K309 HydrophobicContact CB-CB 4.34Å; D146-K309 HydrophobicContact CB-CG 4.34Å; D146-I312 HydrophobicContact CB-CB 3.85Å; D146-I312 HydrophobicContact CB-CG1 4Å; D146-I312 HydrophobicContact CB-CG2 3.77Å
147A98.3Very high97.5Very high0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-143.5156.4179.400000114.4A135 L138 I305 V306 Q316A135-A147 HydrophobicContact CB-CB 4.02Å; L138-A147 HydrophobicContact CB-CB 3.94Å; L138-A147 HydrophobicContact CD1-CB 3.84Å; A147-I305 CarbonylContact C-O 3.47Å; A147-I305 WeakPolarHBondContact CA-O 3.31Å; A147-I305 WeakPolarHBondContact CB-O 3.35Å; A147-V306 HydrophobicContact CB-CG1 3.94Å; A147-Q316 PolarHBondContact O-NE2 2.95Å
148C97.5Very high97.6Very high0 Ų031.4 Ų31.40%017%0.173CC..EExtended strand (participates in β ladder)trans-134.4135.1176.4-173.50000110.3I305 I312 K321C148-I305 HydrophobicContact CB-CB 4.25Å; C148-I305 HydrophobicContact CB-CD1 4.46Å; C148-I305 PolarHBondContact N-O 2.92Å; C148-I305 PolarHBondContact O-N 2.91Å; C148-I312 HydrophobicContact CB-CD1 4.27Å; C148-I312 HydrophobicContact CB-CG2 4.37Å; C148-K321 WeakPolarHBondContact SG-CE 3.37Å
149I98.2Very high97.6Very high0 Ų031.4 Ų31.40%017%0.173CC..EExtended strand (participates in β ladder)trans-119.7126.8-176.8-59154.8000109.5D131 L134 L138 A302 G303 K321 A326 L331 L334D131-I149 HydrophobicContact CB-CD1 4.24Å; L134-I149 HydrophobicContact CB-CD1 3.46Å; L134-I149 VanDerWaalsContact CB-CD1 3.46Å; L134-I149 HydrophobicContact CD2-CD1 3.88Å; L134-I149 HydrophobicContact CG-CD1 4.32Å; L138-I149 HydrophobicContact CD1-CD1 3.85Å; L138-I149 HydrophobicContact CD1-CG1 3.89Å; I149-A302 HydrophobicContact CG2-CB 4.45Å; I149-G303 CarbonylContact C-O 3.56Å; I149-G303 WeakPolarHBondContact CA-O 3.33Å; I149-K321 PolarHBondContact O-NZ 2.71Å; I149-A326 HydrophobicContact CG2-CB 4.11Å; I149-L331 HydrophobicContact CB-CD2 4.46Å; I149-L331 HydrophobicContact CD1-CD2 4.33Å; I149-L331 HydrophobicContact CG2-CD2 3.99Å; I149-L334 HydrophobicContact CD1-CD2 4.22Å; I149-L334 HydrophobicContact CG1-CD2 4.41Å; I149-L334 HydrophobicContact CG2-CD2 3.94Å
150V98.1Very high97.6Very high0 Ų030.2 Ų30.20%017%0.165CC..EExtended strand (participates in β ladder)trans-129178.1-179.9-65.50000110.6N152 A155 A156 L159 G303 K321 L324V150-N152 PolarHBondContact O-N 2.96Å; V150-A155 HydrophobicContact CB-CB 4.37Å; V150-A155 HydrophobicContact CG2-CB 4.03Å; V150-A156 HydrophobicContact CG2-CB 3.7Å; V150-L159 HydrophobicContact CG1-CD2 3.74Å; V150-G303 WeakPolarHBondContact CG2-O 3.44Å; V150-G303 PolarHBondContact N-O 3.16Å; V150-G303 PolarHBondContact O-N 3.46Å; V150-K321 HydrophobicContact CG1-CD 3.88Å; V150-L324 CarbonylContact C-O 3.5Å; V150-L324 VanDerWaalsContact CA-O 3.24Å; V150-L324 WeakPolarHBondContact CA-O 3.5Å; V150-L324 HydrophobicContact CB-CB 4.25Å; V150-L324 VanDerWaalsContact CB-O 3.24Å; V150-L324 WeakPolarHBondContact CB-O 3.31Å; V150-L324 HydrophobicContact CG1-CB 4.24Å
151N97.8Very high97.6Very high65 Ų6521.2 Ų21.235%0.34813%0.131SC..SBendtrans-54-45.3-172.5-178.343.9000114.3Q301 A302 L324N151-Q301 CarbonylContact O-C 3.56Å; N151-A302 WeakPolarHBondContact O-CA 3.3Å; N151-L324 PolarHBondContact N-O 3.47Å
152N96.7Very high97.7Very high43 Ų4320.3 Ų20.323%0.2313%0.128CC..SBendtrans-158.5170.9178.961.323.7000110.2V150 A154 A155 A156 Q301 A302 G303V150-N152 PolarHBondContact O-N 2.96Å; N152-A154 VanDerWaalsContact C-N 3.25Å; N152-A154 PolarHBondContact O-N 3.48Å; N152-A154 WeakPolarHBondContact OD1-CB 3.34Å; N152-A154 PolarHBondContact OD1-N 2.67Å; N152-A155 WeakPolarHBondContact O-CB 3.42Å; N152-A155 PolarHBondContact O-N 2.84Å; N152-A155 VanDerWaalsContact O-N 3.13Å; N152-A155 WeakPolarHBondContact OD1-CB 3.37Å; N152-A155 PolarHBondContact OD1-N 3.46Å; N152-A156 PolarHBondContact O-N 3.09Å; N152-Q301 HydrophobicContact CB-CG 3.89Å; N152-A302 VanDerWaalsContact CA-C 3.49Å; N152-G303 VanDerWaalsContact C-N 3.35Å; N152-G303 VanDerWaalsContact CA-N 3.27Å; N152-G303 VanDerWaalsContact O-CA 3.3Å; N152-G303 WeakPolarHBondContact O-CA 3.23Å
153N95.8Very high97.7Very high14 Ų1420.6 Ų20.68%0.07513%0.131CC..Hα-helixtrans-63.6-29.7-178.7-167.754.3000113.5A155 A156 V157 D258 S290 F291 S292N153-A155 VanDerWaalsContact C-N 3.33Å; N153-A155 PolarHBondContact O-N 3.01Å; N153-A156 WeakPolarHBondContact O-CA 3.49Å; N153-A156 VanDerWaalsContact O-CB 3.31Å; N153-A156 WeakPolarHBondContact O-CB 3.2Å; N153-A156 PolarHBondContact O-N 3.46Å; N153-V157 WeakPolarHBondContact O-CG2 3.37Å; N153-V157 PolarHBondContact O-N 2.75Å; N153-D258 PolarHBondContact ND2-OD1 3.42Å; N153-S290 WeakPolarHBondContact OD1-CB 3.31Å; N153-F291 VanDerWaalsContact OD1-C 3.29Å; N153-F291 VanDerWaalsContact OD1-CA 3.26Å; N153-F291 WeakPolarHBondContact OD1-CA 3.27Å; N153-F291 PolarHBondContact OD1-N 2.88Å; N153-F291 PolarHBondContact OD1-O 3.37Å; N153-S292 VanDerWaalsContact CB-OG 3.27Å; N153-S292 WeakPolarHBondContact CB-OG 3.42Å
154A94.6Very high97.7Very high34 Ų3418.3 Ų18.328%0.28110%0.104SC..Hα-helixtrans-60.1-43.9173.200000111.9N152 A156 L158 F184N152-A154 VanDerWaalsContact C-N 3.25Å; N152-A154 PolarHBondContact O-N 3.48Å; N152-A154 WeakPolarHBondContact OD1-CB 3.34Å; N152-A154 PolarHBondContact OD1-N 2.67Å; A154-A156 VanDerWaalsContact C-N 3.3Å; A154-A156 PolarHBondContact O-N 3.3Å; A154-L158 WeakPolarHBondContact O-CB 3.38Å; A154-L158 PolarHBondContact O-N 3.22Å; A154-L158 VanDerWaalsContact O-N 3.09Å; A154-F184 HydrophobicContact CB-CD2 3.4Å; A154-F184 HydrophobicContact CB-CE2 3.29Å; A154-F184 HydrophobicContact CB-CG 4.29Å; A154-F184 HydrophobicContact CB-CZ 4.12Å
155A96.8Very high97.7Very high7 Ų718 Ų186%0.05810%0.102CC..Hα-helixtrans-65.2-33.7172.400000112.2V150 N152 N153 L159 L324V150-A155 HydrophobicContact CB-CB 4.37Å; V150-A155 HydrophobicContact CG2-CB 4.03Å; N152-A155 WeakPolarHBondContact O-CB 3.42Å; N152-A155 PolarHBondContact O-N 2.84Å; N152-A155 VanDerWaalsContact O-N 3.13Å; N152-A155 WeakPolarHBondContact OD1-CB 3.37Å; N152-A155 PolarHBondContact OD1-N 3.46Å; N153-A155 VanDerWaalsContact C-N 3.33Å; N153-A155 PolarHBondContact O-N 3.01Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.33Å; A155-L159 PolarHBondContact O-N 3.45Å; A155-L324 HydrophobicContact CB-CB 4.18Å; A155-L324 HydrophobicContact CB-CD1 4.07Å; A155-L324 HydrophobicContact CB-CD2 3.82Å; A155-L324 HydrophobicContact CB-CG 4.22Å
156A97.9Very high97.6Very high0 Ų016.5 Ų16.50%010%0.103CC..Hα-helixtrans-64.5-49177.500000111.4V150 N152 N153 A154 L159 M160 I305V150-A156 HydrophobicContact CG2-CB 3.7Å; N152-A156 PolarHBondContact O-N 3.09Å; N153-A156 WeakPolarHBondContact O-CA 3.49Å; N153-A156 VanDerWaalsContact O-CB 3.31Å; N153-A156 WeakPolarHBondContact O-CB 3.2Å; N153-A156 PolarHBondContact O-N 3.46Å; A154-A156 VanDerWaalsContact C-N 3.3Å; A154-A156 PolarHBondContact O-N 3.3Å; A156-L159 PolarHBondContact O-N 3.37Å; A156-M160 WeakPolarHBondContact O-CB 3.23Å; A156-M160 PolarHBondContact O-N 3.36Å; A156-I305 HydrophobicContact CB-CD1 3.98Å; A156-I305 HydrophobicContact CB-CG1 3.68Å
157V97.3Very high97.6Very high0 Ų017.5 Ų17.50%012%0.124CC..Hα-helixtrans-61.3-45.9176.3175.20000111.2N153 L159 M160 L161 F184 I186 V189 M223 D258N153-V157 WeakPolarHBondContact O-CG2 3.37Å; N153-V157 PolarHBondContact O-N 2.75Å; V157-L159 PolarHBondContact O-N 2.94Å; V157-M160 PolarHBondContact O-N 3.05Å; V157-L161 HydrophobicContact CG1-CD1 3.77Å; V157-L161 HydrophobicContact CG1-CG 4.47Å; V157-L161 WeakPolarHBondContact O-CB 3.4Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.09Å; V157-F184 HydrophobicContact CB-CZ 4.19Å; V157-F184 HydrophobicContact CG1-CZ 4.36Å; V157-F184 HydrophobicContact CG2-CZ 4.44Å; V157-I186 HydrophobicContact CG1-CD1 4.42Å; V157-V189 HydrophobicContact CG1-CG1 4Å; V157-M223 HydrophobicContact CG1-CE 3.97Å; V157-D258 HydrophobicContact CG2-CB 3.92Å
158L97.8Very high97.6Very high34 Ų3422.4 Ų22.418%0.17815%0.145CC..Hα-helixtrans-57.9-49.1176.3176.663.2000111.9A154 A162 V189 Q192 A193 L324A154-L158 WeakPolarHBondContact O-CB 3.38Å; A154-L158 PolarHBondContact O-N 3.22Å; A154-L158 VanDerWaalsContact O-N 3.09Å; L158-A162 VanDerWaalsContact O-CB 3.25Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.86Å; L158-V189 HydrophobicContact CB-CG1 4.08Å; L158-V189 HydrophobicContact CD1-CG1 4.33Å; L158-Q192 HydrophobicContact CD1-CB 4.19Å; L158-Q192 HydrophobicContact CD1-CG 4.05Å; L158-A193 HydrophobicContact CD1-CB 4.04Å; L158-L324 HydrophobicContact CD2-CD1 4.48Å
159L98.4Very high97.7Very high0 Ų024.2 Ų24.20%015%0.153CC..Hα-helixtrans-65.6-42.1-179.3-175.763.7000111.4V150 A155 A156 V157 A162 A163 L315 H318 L320 K321 L324V150-L159 HydrophobicContact CG1-CD2 3.74Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.33Å; A155-L159 PolarHBondContact O-N 3.45Å; A156-L159 PolarHBondContact O-N 3.37Å; V157-L159 PolarHBondContact O-N 2.94Å; L159-A162 PolarHBondContact O-N 2.9Å; L159-A163 WeakPolarHBondContact O-CB 3.11Å; L159-A163 PolarHBondContact O-N 3.09Å; L159-L315 HydrophobicContact CB-CD2 4.27Å; L159-L315 HydrophobicContact CD2-CB 4.46Å; L159-L315 HydrophobicContact CD2-CD2 4.05Å; L159-L315 HydrophobicContact CG-CD2 3.67Å; L159-H318 HydrophobicContact CD1-CB 4.01Å; L159-L320 HydrophobicContact CD1-CB 3.93Å; L159-K321 HydrophobicContact CD1-CB 4.31Å; L159-K321 HydrophobicContact CD2-CB 4.15Å; L159-K321 HydrophobicContact CD2-CD 3.99Å; L159-L324 HydrophobicContact CB-CD1 4.04Å
160M98.1Very high97.7Very high0 Ų024.2 Ų24.20%015%0.153CC..Hα-helixtrans-55.4-54.7176179.7166.469.900110.9A156 V157 T164 M223 V256 L288 L315A156-M160 WeakPolarHBondContact O-CB 3.23Å; A156-M160 PolarHBondContact O-N 3.36Å; V157-M160 PolarHBondContact O-N 3.05Å; M160-T164 WeakPolarHBondContact O-CB 3.42Å; M160-T164 WeakPolarHBondContact O-CG2 3.26Å; M160-T164 PolarHBondContact O-N 2.74Å; M160-T164 VanDerWaalsContact O-N 3.13Å; M160-T164 PolarHBondContact O-OG1 3.45Å; M160-M223 HydrophobicContact CE-CE 4.35Å; M160-V256 HydrophobicContact CE-CB 4.24Å; M160-V256 HydrophobicContact CE-CG2 4.13Å; M160-V256 HydrophobicContact SD-CB 3.85Å; M160-V256 HydrophobicContact SD-CG1 4.24Å; M160-V256 HydrophobicContact SD-CG2 4.25Å; M160-L288 HydrophobicContact CG-CD1 3.68Å; M160-L288 HydrophobicContact SD-CB 3.67Å; M160-L288 HydrophobicContact SD-CD1 3.94Å; M160-L315 HydrophobicContact CB-CD2 4.26Å
161L98.4Very high97.7Very high0 Ų024.2 Ų24.20%015%0.153CC..Hα-helixtrans-62.5-48.4179.3-69.7167.4000112.1V157 A163 T164 A165 S166 V170 V189 M190 A193 L221 M223V157-L161 HydrophobicContact CG1-CD1 3.77Å; V157-L161 HydrophobicContact CG1-CG 4.47Å; V157-L161 WeakPolarHBondContact O-CB 3.4Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.09Å; L161-A163 PolarHBondContact O-N 3.06Å; L161-T164 PolarHBondContact O-N 2.83Å; L161-A165 PolarHBondContact O-N 2.93Å; L161-S166 PolarHBondContact O-N 3.09Å; L161-V170 HydrophobicContact CD2-CG1 4.15Å; L161-V170 HydrophobicContact CD2-CG2 3.99Å; L161-V189 HydrophobicContact CD1-CG1 4.22Å; L161-M190 HydrophobicContact CD1-CG 3.67Å; L161-M190 HydrophobicContact CD2-CE 4.39Å; L161-M190 HydrophobicContact CD2-CG 4.45Å; L161-A193 HydrophobicContact CB-CB 3.52Å; L161-L221 HydrophobicContact CD2-CD1 4.2Å; L161-M223 HydrophobicContact CD2-SD 3.83Å; L161-M223 HydrophobicContact CG-SD 4.48Å
162A98.3Very high97.7Very high9 Ų921.1 Ų21.17%0.07414%0.137CC..Hα-helixtrans-63.8-41-17700000112.4L158 L159 S166 A193 L320L158-A162 VanDerWaalsContact O-CB 3.25Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.86Å; L159-A162 PolarHBondContact O-N 2.9Å; A162-S166 WeakPolarHBondContact O-CB 3.38Å; A162-A193 HydrophobicContact CB-CB 4.13Å; A162-L320 HydrophobicContact CB-CD1 3.84Å
163A98.3Very high97.7Very high11 Ų1119.3 Ų19.39%0.09113%0.128CC..Hα-helixtrans-76.5-23.5-178.900000113.4L159 L161 R314 L315 H318L159-A163 WeakPolarHBondContact O-CB 3.11Å; L159-A163 PolarHBondContact O-N 3.09Å; L161-A163 PolarHBondContact O-N 3.06Å; A163-R314 PolarHBondContact O-NE 3.05Å; A163-R314 PolarHBondContact O-NH2 3.21Å; A163-L315 HydrophobicContact CB-CD2 4.28Å; A163-L315 HydrophobicContact CB-CG 4.37Å; A163-H318 HydrophobicContact CB-CB 4.03Å
164T98.1Very high97.8Very high12 Ų1223.7 Ų23.77%0.07414%0.143CC..Hα-helixtrans-112-30-169.764.40000115.1M160 L161 L221 L288 M311 R314M160-T164 WeakPolarHBondContact O-CB 3.42Å; M160-T164 WeakPolarHBondContact O-CG2 3.26Å; M160-T164 PolarHBondContact O-N 2.74Å; M160-T164 VanDerWaalsContact O-N 3.13Å; M160-T164 PolarHBondContact O-OG1 3.45Å; L161-T164 PolarHBondContact O-N 2.83Å; T164-L221 WeakPolarHBondContact OG1-CD1 3.4Å; T164-L288 HydrophobicContact CG2-CD1 4.1Å; T164-M311 HydrophobicContact CG2-CE 3.75Å; T164-R314 VanDerWaalsContact CA-NH2 3.33Å; T164-R314 PolarHBondContact O-NH2 3.1Å
165A98.2Very high97.7Very high1 Ų122.4 Ų22.41%0.00813%0.133CC..Hα-helixtrans-135.711.7-169.900000115.3L161 G167 K168 V170 C195 A220 L221L161-A165 PolarHBondContact O-N 2.93Å; A165-G167 PolarHBondContact O-N 3.11Å; A165-K168 PolarHBondContact O-N 3.48Å; A165-V170 HydrophobicContact CB-CG2 3.53Å; A165-C195 PolarHBondContact O-SG 3.08Å; A165-A220 HydrophobicContact CB-CB 3.65Å; A165-L221 HydrophobicContact CB-CD1 3.63Å; A165-L221 HydrophobicContact CB-CG 3.97Å
166S97.4Very high97.6Very high72 Ų7222.7 Ų22.750%0.50313%0.133SC..THydrogen-bonded Turntrans-58.1133.1176.1-164.10000111.4L161 A162 K168 A193L161-S166 PolarHBondContact O-N 3.09Å; A162-S166 WeakPolarHBondContact O-CB 3.38Å; S166-K168 VanDerWaalsContact C-N 3.27Å; S166-K168 PolarHBondContact O-N 3.34Å; S166-A193 PolarHBondContact OG-O 3.03Å
167G98Very high97.5Very high66 Ų6624.6 Ų24.668%0.6814%0.143SC*.THydrogen-bonded Turntrans76.75.7-17500000115A165 G194A165-G167 PolarHBondContact O-N 3.11Å; G167-G194 PolarHBondContact N-O 2.84Å
168K98.4Very high97.2Very high102 Ų10224.7 Ų24.744%0.44314%0.144SC..SBendtrans-130.6169.8-175-70.8-166.1173.4-162.60112.6A165 S166 T196 N218 A220A165-K168 PolarHBondContact O-N 3.48Å; S166-K168 VanDerWaalsContact C-N 3.27Å; S166-K168 PolarHBondContact O-N 3.34Å; K168-T196 PolarHBondContact O-N 3.13Å; K168-N218 WeakPolarHBondContact CB-O 3.35Å; K168-A220 HydrophobicContact CB-CB 3.56Å; K168-A220 HydrophobicContact CD-CB 3.77Å; K168-A220 HydrophobicContact CG-CB 4.31Å
169E98.4Very high96.8Very high38 Ų3826.7 Ų26.718%0.17815%0.152CC..EExtended strand (participates in β ladder)trans-82.6140.1179.4-65.3-173.2-179.800112.4T196 H198 N216 N218 A220E169-T196 CarbonylContact C-O 3.59Å; E169-T196 VanDerWaalsContact CA-O 3.3Å; E169-T196 WeakPolarHBondContact CA-O 3.22Å; E169-T196 HydrophobicContact CG-CG2 4.12Å; E169-H198 HydrophobicContact CB-CB 4.49Å; E169-H198 IonicContact OE2-CE1 3.84Å; E169-H198 IonicContact OE2-CG 3.83Å; E169-H198 IonicContact OE2-ND1 2.88Å; E169-H198 PolarHBondContact OE2-ND1 2.92Å; E169-N216 PolarHBondContact OE2-ND2 3.38Å; E169-N218 HydrophobicContact CG-CB 4.15Å; E169-N218 PolarHBondContact N-O 3.18Å; E169-A220 PolarHBondContact O-N 2.78Å
170V98.7Very high95.9Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-121.1117.8171.6-178.80000108.2L161 A165 V172 M190 C195 T196 H198 L221 M223L161-V170 HydrophobicContact CD2-CG1 4.15Å; L161-V170 HydrophobicContact CD2-CG2 3.99Å; A165-V170 HydrophobicContact CB-CG2 3.53Å; V170-V172 HydrophobicContact CG1-CG2 3.97Å; V170-M190 HydrophobicContact CB-CE 4.34Å; V170-M190 HydrophobicContact CG1-CE 3.8Å; V170-C195 HydrophobicContact CG2-CB 3.99Å; V170-T196 PolarHBondContact N-O 2.73Å; V170-H198 PolarHBondContact O-N 3.07Å; V170-L221 HydrophobicContact CG1-CB 4.03Å; V170-L221 HydrophobicContact CG1-CD1 4.48Å; V170-L221 HydrophobicContact CG2-CB 4.23Å; V170-L221 HydrophobicContact CG2-CD1 4.14Å; V170-M223 HydrophobicContact CG1-CB 3.66Å; V170-M223 HydrophobicContact CG1-SD 4.26Å
171V98.5Very high94.7Very high0 Ų032.1 Ų32.10%020%0.2CC..EExtended strand (participates in β ladder)trans-87.5123.2-177.6-1740000109.9H198 V200 Y211 A214 T219 L221 L222 M223V171-H198 VanDerWaalsContact CA-O 3.26Å; V171-H198 WeakPolarHBondContact CA-O 3.42Å; V171-H198 HydrophobicContact CG2-CB 4.23Å; V171-V200 HydrophobicContact CG1-CB 4.4Å; V171-V200 HydrophobicContact CG1-CG1 3.51Å; V171-V200 HydrophobicContact CG1-CG2 3.97Å; V171-Y211 HydrophobicContact CB-CD1 4.28Å; V171-Y211 HydrophobicContact CG1-CD1 3.54Å; V171-Y211 HydrophobicContact CG1-CE1 3.97Å; V171-Y211 HydrophobicContact CG1-CG 4.43Å; V171-A214 HydrophobicContact CG1-CB 3.74Å; V171-A214 HydrophobicContact CG2-CB 4.01Å; V171-T219 HydrophobicContact CG2-CG2 3.82Å; V171-L221 PolarHBondContact N-O 2.8Å; V171-L222 HydrophobicContact CB-CD2 3.84Å; V171-L222 HydrophobicContact CG1-CD2 4.44Å; V171-L222 HydrophobicContact CG2-CD2 4.07Å; V171-M223 PolarHBondContact O-N 3.46Å
172V97.8Very high93.5Very high0 Ų035 Ų350%023%0.229CC..EExtended strand (participates in β ladder)trans-139.8143.1-178.3-173.10000111.3V170 R174 E176 L177 M190 L197 H198 E199 V200 M223V170-V172 HydrophobicContact CG1-CG2 3.97Å; V172-R174 PolarHBondContact O-N 3.5Å; V172-E176 HydrophobicContact CG1-CB 4.24Å; V172-L177 HydrophobicContact CB-CD2 4.36Å; V172-L177 HydrophobicContact CG1-CD2 4.04Å; V172-M190 HydrophobicContact CG2-CE 3.4Å; V172-M190 VanDerWaalsContact CG2-CE 3.4Å; V172-L197 HydrophobicContact CB-CD1 4.13Å; V172-L197 HydrophobicContact CG2-CD1 4.3Å; V172-H198 PolarHBondContact N-O 2.66Å; V172-E199 CarbonylContact O-C 3.2Å; V172-E199 VanDerWaalsContact O-CA 3.28Å; V172-E199 WeakPolarHBondContact O-CA 3.33Å; V172-V200 PolarHBondContact O-N 3.44Å; V172-M223 HydrophobicContact CG2-CB 3.75Å; V172-M223 HydrophobicContact CG2-CG 4.07Å; V172-M223 HydrophobicContact CG2-SD 4.5Å
173S97.5Very high92.6Very high5 Ų538.7 Ų38.74%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-60.6135.1171.4174.80000112.1G175 E176 T206 Y211S173-G175 PolarHBondContact O-N 3.39Å; S173-G175 PolarHBondContact OG-N 3.45Å; S173-G175 VanDerWaalsContact OG-N 3.14Å; S173-E176 PolarHBondContact O-N 3.06Å; S173-T206 PolarHBondContact OG-OG1 3.43Å; S173-Y211 PolarHBondContact N-OH 3.24Å; S173-Y211 VanDerWaalsContact N-OH 3.14Å
174R96.3Very high92Very high106 Ų10640 Ų4040%0.426%0.263SS..G310 helixtrans-54.7-32.8170.2-73.7179.1-171.2-80.9-14.7112.9V172 E176 E199 V200 G201V172-R174 PolarHBondContact O-N 3.5Å; R174-E176 PolarHBondContact O-N 2.84Å; R174-E199 HydrophobicContact CG-CB 3.86Å; R174-E199 VanDerWaalsContact CZ-CD 3.44Å; R174-E199 IonicContact CZ-OE1 3.9Å; R174-E199 IonicContact CZ-OE2 3.15Å; R174-E199 IonicContact NH1-OE1 3.99Å; R174-E199 PolarHBondContact NH1-OE1 3.31Å; R174-E199 IonicContact NH1-OE2 2.94Å; R174-E199 PolarHBondContact NH1-OE2 3.25Å; R174-E199 PolarHBondContact NH2-O 2.85Å; R174-E199 IonicContact NH2-OE1 2.83Å; R174-E199 PolarHBondContact NH2-OE1 2.79Å; R174-V200 WeakPolarHBondContact CG-O 3.41Å; R174-V200 PolarHBondContact N-O 3.37Å; R174-G201 VanDerWaalsContact CD-O 3.28Å; R174-G201 WeakPolarHBondContact CD-O 3.43Å
175G94Very high91.8Very high7 Ų744.8 Ų44.87%0.07228%0.28CS..G310 helixtrans-73-7.2178.500000114.4S173 T203 Y230S173-G175 PolarHBondContact O-N 3.39Å; S173-G175 PolarHBondContact OG-N 3.45Å; S173-G175 VanDerWaalsContact OG-N 3.14Å; G175-T203 WeakPolarHBondContact CA-O 3.28Å; G175-Y230 PolarHBondContact O-OH 3.25Å
176E95.1Very high91.6Very high13 Ų1344.8 Ų44.86%0.06128%0.28CS..G310 helixtrans-114.96.9-176.4-62.8178.9-176.600112.2V172 S173 R174 V178 K224 V225V172-E176 HydrophobicContact CG1-CB 4.24Å; S173-E176 PolarHBondContact O-N 3.06Å; R174-E176 PolarHBondContact O-N 2.84Å; E176-V178 WeakPolarHBondContact O-CG1 3.13Å; E176-V178 PolarHBondContact O-N 3.02Å; E176-K224 IonicContact OE1-NZ 3.21Å; E176-K224 PolarHBondContact OE1-NZ 3.28Å; E176-K224 VanDerWaalsContact OE2-CA 3.26Å; E176-K224 WeakPolarHBondContact OE2-CA 3.45Å; E176-V225 HydrophobicContact CB-CB 4.18Å; E176-V225 WeakPolarHBondContact CG-O 3.44Å; E176-V225 PolarHBondContact OE2-N 3.39Å
177L94Very high91.4Very high41 Ų4143.1 Ų43.122%0.21527%0.267CS..  trans-78.469.5175.3-59.9-178.5000111.2V172 I186 P187 L197 E199V172-L177 HydrophobicContact CB-CD2 4.36Å; V172-L177 HydrophobicContact CG1-CD2 4.04Å; L177-I186 HydrophobicContact CD2-CG2 4.32Å; L177-P187 HydrophobicContact CB-CG 4.33Å; L177-P187 HydrophobicContact CD1-CG 4.48Å; L177-P187 HydrophobicContact CD2-CG 4.31Å; L177-L197 HydrophobicContact CD1-CD2 4.17Å; L177-L197 HydrophobicContact CD2-CD1 3.95Å; L177-L197 HydrophobicContact CD2-CD2 4.04Å; L177-E199 HydrophobicContact CD1-CB 4.24Å; L177-E199 VanDerWaalsContact CD1-OE2 3.31Å; L177-E199 WeakPolarHBondContact CD1-OE2 3.26Å
178V90.9Very high91.3Very high2 Ų243.1 Ų43.11%0.01225%0.252CS..  trans-77152.7-169.9-52.10000113.8E176 I180 I186 V225 T227 Y230E176-V178 WeakPolarHBondContact O-CG1 3.13Å; E176-V178 PolarHBondContact O-N 3.02Å; V178-I180 HydrophobicContact CB-CG1 4.42Å; V178-I180 HydrophobicContact CG2-CD1 3.82Å; V178-I180 HydrophobicContact CG2-CG1 3.86Å; V178-I186 HydrophobicContact CG2-CD1 4.41Å; V178-I186 HydrophobicContact CG2-CG1 3.73Å; V178-I186 PolarHBondContact O-N 3.39Å; V178-V225 HydrophobicContact CG1-CG1 4.34Å; V178-V225 HydrophobicContact CG2-CG1 3.8Å; V178-T227 HydrophobicContact CG1-CG2 4.22Å; V178-Y230 HydrophobicContact CB-CE1 4.11Å; V178-Y230 HydrophobicContact CG1-CE1 3.57Å
179E89.5Confident91.2Very high76 Ų7639.1 Ų39.136%0.35524%0.236SC..EExtended strand (participates in β ladder)trans-111.2126.1161.1-177.7176.8151.500109.5G182 F184 R185 N229E179-G182 WeakPolarHBondContact OE1-CA 3.43Å; E179-F184 CarbonylContact C-O 3.38Å; E179-F184 WeakPolarHBondContact CA-O 3.45Å; E179-R185 HydrophobicContact CB-CG 4.02Å; E179-R185 HydrophobicContact CG-CG 3.8Å; E179-R185 IonicContact OE1-NH2 3.52Å; E179-R185 IonicContact OE2-CZ 3.55Å; E179-R185 IonicContact OE2-NE 3.34Å; E179-R185 PolarHBondContact OE2-NE 2.72Å; E179-R185 IonicContact OE2-NH2 2.69Å; E179-R185 PolarHBondContact OE2-NH2 3.43Å; E179-N229 PolarHBondContact O-ND2 3.22Å
180I81.1Confident91Very high35 Ų3537.3 Ų37.318%0.17923%0.227CC..EExtended strand (participates in β ladder)trans-124.3131.7-179.4-54.4175.3000109.3V178 G182 F184V178-I180 HydrophobicContact CB-CG1 4.42Å; V178-I180 HydrophobicContact CG2-CD1 3.82Å; V178-I180 HydrophobicContact CG2-CG1 3.86Å; I180-G182 VanDerWaalsContact C-N 3.26Å; I180-G182 PolarHBondContact O-N 3.22Å; I180-F184 HydrophobicContact CB-CD1 4.28Å; I180-F184 PolarHBondContact N-O 3.4Å; I180-F184 VanDerWaalsContact O-CB 3.32Å; I180-F184 WeakPolarHBondContact O-CB 3.34Å; I180-F184 PolarHBondContact O-N 3.22Å
181G72.1Confident90.9Very high79 Ų7945.5 Ų45.581%0.81426%0.258SS*.THydrogen-bonded Turntrans6621.8172.100000115.4A183G181-A183 VanDerWaalsContact C-N 3.33Å; G181-A183 PolarHBondContact O-N 2.99Å
182G73.2Confident90.8Very high59 Ų5952.6 Ų52.661%0.60829%0.291SS*.THydrogen-bonded Turntrans82.6-12.3171.600000116.8E179 I180E179-G182 WeakPolarHBondContact OE1-CA 3.43Å; I180-G182 VanDerWaalsContact C-N 3.26Å; I180-G182 PolarHBondContact O-N 3.22Å
183A78.6Confident90.7Very high87 Ų8752.9 Ų52.972%0.71929%0.293SS*.THydrogen-bonded Turntrans-142.2-12.9179.900000114.8G181 R185G181-A183 VanDerWaalsContact C-N 3.33Å; G181-A183 PolarHBondContact O-N 2.99Å; A183-R185 PolarHBondContact O-N 3.24Å
184F87.4Confident90.7Very high38 Ų3854.3 Ų54.317%0.16731%0.309CS..EExtended strand (participates in β ladder)trans-90.7107177.6-178-94.7000109.9A154 V157 E179 I180 I186 V189A154-F184 HydrophobicContact CB-CD2 3.4Å; A154-F184 HydrophobicContact CB-CE2 3.29Å; A154-F184 HydrophobicContact CB-CG 4.29Å; A154-F184 HydrophobicContact CB-CZ 4.12Å; V157-F184 HydrophobicContact CB-CZ 4.19Å; V157-F184 HydrophobicContact CG1-CZ 4.36Å; V157-F184 HydrophobicContact CG2-CZ 4.44Å; E179-F184 CarbonylContact C-O 3.38Å; E179-F184 WeakPolarHBondContact CA-O 3.45Å; I180-F184 HydrophobicContact CB-CD1 4.28Å; I180-F184 PolarHBondContact N-O 3.4Å; I180-F184 VanDerWaalsContact O-CB 3.32Å; I180-F184 WeakPolarHBondContact O-CB 3.34Å; I180-F184 PolarHBondContact O-N 3.22Å; F184-I186 HydrophobicContact CE1-CD1 3.78Å; F184-I186 HydrophobicContact CZ-CD1 4.19Å; F184-V189 HydrophobicContact CD2-CG2 3.64Å; F184-V189 HydrophobicContact CE2-CB 4.35Å; F184-V189 HydrophobicContact CE2-CG1 4.3Å; F184-V189 HydrophobicContact CE2-CG2 3.25Å; F184-V189 HydrophobicContact CG-CG2 4.43Å; F184-V189 HydrophobicContact CZ-CG2 3.76Å
185R93.2Very high90.8Very high114 Ų11449.9 Ų49.943%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-119.3126.5178.2-67.4176.3173168.12.6109.7E179 A183 P187 D188 V189E179-R185 HydrophobicContact CB-CG 4.02Å; E179-R185 HydrophobicContact CG-CG 3.8Å; E179-R185 IonicContact OE1-NH2 3.52Å; E179-R185 IonicContact OE2-CZ 3.55Å; E179-R185 IonicContact OE2-NE 3.34Å; E179-R185 PolarHBondContact OE2-NE 2.72Å; E179-R185 IonicContact OE2-NH2 2.69Å; E179-R185 PolarHBondContact OE2-NH2 3.43Å; A183-R185 PolarHBondContact O-N 3.24Å; R185-P187 VanDerWaalsContact C-CD 3.49Å; R185-P187 VanDerWaalsContact C-N 3.32Å; R185-D188 HydrophobicContact CB-CB 4.23Å; R185-D188 WeakPolarHBondContact CD-OD2 3.49Å; R185-D188 PolarHBondContact O-N 2.85Å; R185-V189 VanDerWaalsContact O-CG2 3.3Å; R185-V189 WeakPolarHBondContact O-CG2 3.5Å; R185-V189 PolarHBondContact O-N 3.48Å
186I93.3Very high91Very high1 Ų153.2 Ų53.21%0.00531%0.314CS..Hα-helixtrans-51.9-44.7179.9-63.5-64.4000112.7V157 L177 V178 F184 D188 V189 M190 V225V157-I186 HydrophobicContact CG1-CD1 4.42Å; L177-I186 HydrophobicContact CD2-CG2 4.32Å; V178-I186 HydrophobicContact CG2-CD1 4.41Å; V178-I186 HydrophobicContact CG2-CG1 3.73Å; V178-I186 PolarHBondContact O-N 3.39Å; F184-I186 HydrophobicContact CE1-CD1 3.78Å; F184-I186 HydrophobicContact CZ-CD1 4.19Å; I186-D188 VanDerWaalsContact C-N 3.35Å; I186-D188 PolarHBondContact O-N 2.82Å; I186-V189 PolarHBondContact O-N 3.2Å; I186-M190 HydrophobicContact CG2-CE 3.65Å; I186-M190 HydrophobicContact CG2-CG 4.42Å; I186-M190 HydrophobicContact CG2-SD 4.16Å; I186-M190 WeakPolarHBondContact O-CG 3.33Å; I186-M190 PolarHBondContact O-N 3.42Å; I186-V225 HydrophobicContact CD1-CG1 4.09Å; I186-V225 HydrophobicContact CD1-CG2 4.09Å; I186-V225 HydrophobicContact CG1-CG1 4.16Å; I186-V225 HydrophobicContact CG1-CG2 4.21Å; I186-V225 HydrophobicContact CG2-CG2 4.45Å
187P94.5Very high91.2Very high36 Ų3654.8 Ų54.823%0.23432%0.322CS..Hα-helixtrans-59.3-40.1176.5-26.135.1000114.4L177 R185 R191 L197L177-P187 HydrophobicContact CB-CG 4.33Å; L177-P187 HydrophobicContact CD1-CG 4.48Å; L177-P187 HydrophobicContact CD2-CG 4.31Å; R185-P187 VanDerWaalsContact C-CD 3.49Å; R185-P187 VanDerWaalsContact C-N 3.32Å; P187-R191 PolarHBondContact O-N 3.43Å; P187-L197 HydrophobicContact CB-CD2 4.05Å; P187-L197 HydrophobicContact CG-CD2 4.12Å
188D95.6Very high91.3Very high67 Ų6755.6 Ų55.636%0.35833%0.325SS..Hα-helixtrans-71.9-36.7-179.3-66.5-29.4000111.2R185 I186 R191 Q192R185-D188 HydrophobicContact CB-CB 4.23Å; R185-D188 WeakPolarHBondContact CD-OD2 3.49Å; R185-D188 PolarHBondContact O-N 2.85Å; I186-D188 VanDerWaalsContact C-N 3.35Å; I186-D188 PolarHBondContact O-N 2.82Å; D188-R191 PolarHBondContact O-N 3.28Å; D188-R191 IonicContact OD1-CZ 2.66Å; D188-R191 IonicContact OD1-NH1 3.32Å; D188-R191 PolarHBondContact OD1-NH1 3.03Å; D188-R191 IonicContact OD1-NH2 3.91Å; D188-Q192 WeakPolarHBondContact O-CB 3.33Å; D188-Q192 PolarHBondContact O-N 3.29Å
189V94.8Very high91.6Very high17 Ų1758.9 Ų58.910%0.10334%0.34CS..Hα-helixtrans-65.6-43175.11780000111V157 L158 L161 F184 R185 I186 Q192 A193V157-V189 HydrophobicContact CG1-CG1 4Å; L158-V189 HydrophobicContact CB-CG1 4.08Å; L158-V189 HydrophobicContact CD1-CG1 4.33Å; L161-V189 HydrophobicContact CD1-CG1 4.22Å; F184-V189 HydrophobicContact CD2-CG2 3.64Å; F184-V189 HydrophobicContact CE2-CB 4.35Å; F184-V189 HydrophobicContact CE2-CG1 4.3Å; F184-V189 HydrophobicContact CE2-CG2 3.25Å; F184-V189 HydrophobicContact CG-CG2 4.43Å; F184-V189 HydrophobicContact CZ-CG2 3.76Å; R185-V189 VanDerWaalsContact O-CG2 3.3Å; R185-V189 WeakPolarHBondContact O-CG2 3.5Å; R185-V189 PolarHBondContact O-N 3.48Å; I186-V189 PolarHBondContact O-N 3.2Å; V189-Q192 PolarHBondContact O-N 3.27Å; V189-A193 WeakPolarHBondContact O-CB 3.39Å; V189-A193 PolarHBondContact O-N 3.32Å
190M95.3Very high92.1Very high1 Ų155.7 Ų55.71%0.00533%0.326CS..Hα-helixtrans-60.8-44.9174.9-75.5-178.1176.500112L161 V170 V172 I186 Q192 A193 G194 C195 L197 M223L161-M190 HydrophobicContact CD1-CG 3.67Å; L161-M190 HydrophobicContact CD2-CE 4.39Å; L161-M190 HydrophobicContact CD2-CG 4.45Å; V170-M190 HydrophobicContact CB-CE 4.34Å; V170-M190 HydrophobicContact CG1-CE 3.8Å; V172-M190 HydrophobicContact CG2-CE 3.4Å; V172-M190 VanDerWaalsContact CG2-CE 3.4Å; I186-M190 HydrophobicContact CG2-CE 3.65Å; I186-M190 HydrophobicContact CG2-CG 4.42Å; I186-M190 HydrophobicContact CG2-SD 4.16Å; I186-M190 WeakPolarHBondContact O-CG 3.33Å; I186-M190 PolarHBondContact O-N 3.42Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3.18Å; M190-A193 WeakPolarHBondContact O-CB 3.23Å; M190-A193 PolarHBondContact O-N 3.5Å; M190-G194 PolarHBondContact O-N 2.79Å; M190-C195 HydrophobicContact CB-CB 4.37Å; M190-C195 PolarHBondContact O-N 3.3Å; M190-L197 HydrophobicContact CE-CD1 4.36Å; M190-L197 HydrophobicContact SD-CB 3.91Å; M190-L197 HydrophobicContact SD-CD1 3.55Å; M190-L197 VanDerWaalsContact SD-CD1 3.55Å; M190-L197 HydrophobicContact SD-CG 4.2Å; M190-M223 HydrophobicContact CE-SD 3.57Å; M190-M223 VanDerWaalsContact CE-SD 3.57Å
191R95.4Very high92.8Very high171 Ų17155 Ų5565%0.64533%0.326SS*.Hα-helixtrans-59.5-44.8175.4-169.3-175.6-59.2108.93111.1P187 D188 A193 G194P187-R191 PolarHBondContact O-N 3.43Å; D188-R191 PolarHBondContact O-N 3.28Å; D188-R191 IonicContact OD1-CZ 2.66Å; D188-R191 IonicContact OD1-NH1 3.32Å; D188-R191 PolarHBondContact OD1-NH1 3.03Å; D188-R191 IonicContact OD1-NH2 3.91Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 2.76Å; R191-G194 PolarHBondContact O-N 2.85Å
192Q96.4Very high94Very high150 Ų15054.5 Ų54.570%0.70131%0.308SS*.Hα-helixtrans-66-30.3178.3-172.459.647.900113L158 D188 V189 M190 G194L158-Q192 HydrophobicContact CD1-CB 4.19Å; L158-Q192 HydrophobicContact CD1-CG 4.05Å; D188-Q192 WeakPolarHBondContact O-CB 3.33Å; D188-Q192 PolarHBondContact O-N 3.29Å; V189-Q192 PolarHBondContact O-N 3.27Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3.18Å; Q192-G194 PolarHBondContact O-N 2.87Å
193A97.4Very high95Very high5 Ų556.2 Ų56.24%0.04131%0.307CS..THydrogen-bonded Turntrans-74.3-7.9173.500000113.6L158 L161 A162 S166 V189 M190 R191 C195L158-A193 HydrophobicContact CD1-CB 4.04Å; L161-A193 HydrophobicContact CB-CB 3.52Å; A162-A193 HydrophobicContact CB-CB 4.13Å; S166-A193 PolarHBondContact OG-O 3.03Å; V189-A193 WeakPolarHBondContact O-CB 3.39Å; V189-A193 PolarHBondContact O-N 3.32Å; M190-A193 WeakPolarHBondContact O-CB 3.23Å; M190-A193 PolarHBondContact O-N 3.5Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 2.76Å; A193-C195 VanDerWaalsContact C-N 3.35Å
194G97.7Very high95.7Very high36 Ų3655.2 Ų55.237%0.37129%0.289SS..THydrogen-bonded Turntrans75.322.7-174.300000113.4G167 M190 R191 Q192G167-G194 PolarHBondContact N-O 2.84Å; M190-G194 PolarHBondContact O-N 2.79Å; R191-G194 PolarHBondContact O-N 2.85Å; Q192-G194 PolarHBondContact O-N 2.87Å
195C98.2Very high96.2Very high13 Ų1359 Ų599%0.08830%0.302CS..PPolyproline II helixtrans-94.2154.1177.2-55.70000111.2A165 V170 M190 A193A165-C195 PolarHBondContact O-SG 3.08Å; V170-C195 HydrophobicContact CG2-CB 3.99Å; M190-C195 HydrophobicContact CB-CB 4.37Å; M190-C195 PolarHBondContact O-N 3.3Å; A193-C195 VanDerWaalsContact C-N 3.35Å
196T98.1Very high96.4Very high77 Ų7753.7 Ų53.747%0.47228%0.283SS..EExtended strand (participates in β ladder)trans-96.1117.1168.4-58.20000108.7K168 E169 V170 H198K168-T196 PolarHBondContact O-N 3.13Å; E169-T196 CarbonylContact C-O 3.59Å; E169-T196 VanDerWaalsContact CA-O 3.3Å; E169-T196 WeakPolarHBondContact CA-O 3.22Å; E169-T196 HydrophobicContact CG-CG2 4.12Å; V170-T196 PolarHBondContact N-O 2.73Å; T196-H198 PolarHBondContact O-N 3.11Å
197L97.6Very high96.5Very high46 Ų4656.9 Ų56.924%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-72.6122.7175168.462.4000109.8V172 L177 P187 M190 E199V172-L197 HydrophobicContact CB-CD1 4.13Å; V172-L197 HydrophobicContact CG2-CD1 4.3Å; L177-L197 HydrophobicContact CD1-CD2 4.17Å; L177-L197 HydrophobicContact CD2-CD1 3.95Å; L177-L197 HydrophobicContact CD2-CD2 4.04Å; P187-L197 HydrophobicContact CB-CD2 4.05Å; P187-L197 HydrophobicContact CG-CD2 4.12Å; M190-L197 HydrophobicContact CE-CD1 4.36Å; M190-L197 HydrophobicContact SD-CB 3.91Å; M190-L197 HydrophobicContact SD-CD1 3.55Å; M190-L197 VanDerWaalsContact SD-CD1 3.55Å; M190-L197 HydrophobicContact SD-CG 4.2Å; L197-E199 HydrophobicContact CD1-CB 4.39Å; L197-E199 HydrophobicContact CG-CB 4.39Å; L197-E199 HydrophobicContact CG-CG 4.37Å
198H97.9Very high96.7Very high58 Ų5856.4 Ų56.427%0.26930%0.297SS..EExtended strand (participates in β ladder)trans-111.298.2170.1-165149.6000109.2E169 V170 V171 V172 T196 A214E169-H198 HydrophobicContact CB-CB 4.49Å; E169-H198 IonicContact OE2-CE1 3.84Å; E169-H198 IonicContact OE2-CG 3.83Å; E169-H198 IonicContact OE2-ND1 2.88Å; E169-H198 PolarHBondContact OE2-ND1 2.92Å; V170-H198 PolarHBondContact O-N 3.07Å; V171-H198 VanDerWaalsContact CA-O 3.26Å; V171-H198 WeakPolarHBondContact CA-O 3.42Å; V171-H198 HydrophobicContact CG2-CB 4.23Å; V172-H198 PolarHBondContact N-O 2.66Å; T196-H198 PolarHBondContact O-N 3.11Å; H198-A214 PolarHBondContact CE1-O 3.02Å; H198-A214 WeakPolarHBondContact NE2-CB 3.41Å
199E97.4Very high96.7Very high71 Ų7157.1 Ų57.133%0.33230%0.3SS..EExtended strand (participates in β ladder)trans-89.8127.3-173.434.3164.5-142.400113.3V172 R174 L177 L197V172-E199 CarbonylContact O-C 3.2Å; V172-E199 VanDerWaalsContact O-CA 3.28Å; V172-E199 WeakPolarHBondContact O-CA 3.33Å; R174-E199 HydrophobicContact CG-CB 3.86Å; R174-E199 VanDerWaalsContact CZ-CD 3.44Å; R174-E199 IonicContact CZ-OE1 3.9Å; R174-E199 IonicContact CZ-OE2 3.15Å; R174-E199 IonicContact NH1-OE1 3.99Å; R174-E199 PolarHBondContact NH1-OE1 3.31Å; R174-E199 IonicContact NH1-OE2 2.94Å; R174-E199 PolarHBondContact NH1-OE2 3.25Å; R174-E199 PolarHBondContact NH2-O 2.85Å; R174-E199 IonicContact NH2-OE1 2.83Å; R174-E199 PolarHBondContact NH2-OE1 2.79Å; L177-E199 HydrophobicContact CD1-CB 4.24Å; L177-E199 VanDerWaalsContact CD1-OE2 3.31Å; L177-E199 WeakPolarHBondContact CD1-OE2 3.26Å; L197-E199 HydrophobicContact CD1-CB 4.39Å; L197-E199 HydrophobicContact CG-CB 4.39Å; L197-E199 HydrophobicContact CG-CG 4.37Å
200V98.2Very high96.9Very high9 Ų958.3 Ų58.36%0.05531%0.306CS..EExtended strand (participates in β ladder)trans-119.9163.7-172.8-60.50000113.7V171 V172 R174 T206 D210 Y211 A214V171-V200 HydrophobicContact CG1-CB 4.4Å; V171-V200 HydrophobicContact CG1-CG1 3.51Å; V171-V200 HydrophobicContact CG1-CG2 3.97Å; V172-V200 PolarHBondContact O-N 3.44Å; R174-V200 WeakPolarHBondContact CG-O 3.41Å; R174-V200 PolarHBondContact N-O 3.37Å; V200-T206 HydrophobicContact CG2-CG2 4.26Å; V200-D210 HydrophobicContact CB-CB 4Å; V200-D210 WeakPolarHBondContact CG1-O 3.38Å; V200-D210 HydrophobicContact CG2-CB 4.34Å; V200-Y211 HydrophobicContact CG2-CD1 4.11Å; V200-Y211 HydrophobicContact CG2-CD2 4.13Å; V200-Y211 HydrophobicContact CG2-CE1 4.06Å; V200-Y211 HydrophobicContact CG2-CE2 4.09Å; V200-Y211 HydrophobicContact CG2-CG 4.14Å; V200-A214 HydrophobicContact CG1-CB 3.42Å; V200-A214 VanDerWaalsContact CG1-CB 3.42Å
201G97Very high97Very high19 Ų1958.2 Ų58.220%0.19631%0.306CS..SBendtrans66.3-148.2179.100000112.9R174 D210R174-G201 VanDerWaalsContact CD-O 3.28Å; R174-G201 WeakPolarHBondContact CD-O 3.43Å; G201-D210 WeakPolarHBondContact CA-OD2 3.46Å
202T96.4Very high97.2Very high69 Ų6954.3 Ų54.342%0.42329%0.291SS..  trans-134170.3177.464.60000110.2N204 R205T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.23Å; T202-R205 PolarHBondContact N-O 2.86Å; T202-R205 PolarHBondContact O-N 3.13Å; T202-R205 PolarHBondContact OG1-N 3.24Å; T202-R205 VanDerWaalsContact OG1-N 3.16Å; T202-R205 PolarHBondContact OG1-O 3.12Å
203T94.4Very high97.2Very high96 Ų9654 Ų5459%0.58929%0.29SS*.SBendtrans-53.1-45.4-178-510000113G175 I232G175-T203 WeakPolarHBondContact CA-O 3.28Å; T203-I232 HydrophobicContact CG2-CD1 4.07Å; T203-I232 WeakPolarHBondContact O-CD1 3.26Å
204N94.6Very high97.2Very high66 Ų6654 Ų5435%0.35329%0.29SS..SBendtrans-96.9-24.8-176.759.8-54.1000113.3T202 I232 F235 T236 K237T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.23Å; N204-I232 HydrophobicContact CB-CG2 4.22Å; N204-F235 PolarHBondContact ND2-O 2.7Å; N204-T236 HydrophobicContact CB-CG2 4.34Å; N204-T236 CarbonylContact O-C 3.57Å; N204-T236 WeakPolarHBondContact O-CA 3.33Å; N204-K237 PolarHBondContact O-N 2.92Å
205R96.2Very high97.3Very high116 Ų11654 Ų5444%0.43828%0.282SS..BIsolated β-bridgetrans-134.3120.9-173.2-69.7177.861.9178.9-2.1111.9T202 H207 K237T202-R205 PolarHBondContact N-O 2.86Å; T202-R205 PolarHBondContact O-N 3.13Å; T202-R205 PolarHBondContact OG1-N 3.24Å; T202-R205 VanDerWaalsContact OG1-N 3.16Å; T202-R205 PolarHBondContact OG1-O 3.12Å; R205-H207 PolarHBondContact NE-NE2 2.79Å; R205-H207 PolarHBondContact NH2-CE1 2.98Å; R205-H207 PolarHBondContact NH2-NE2 2.78Å; R205-K237 CarbonylContact C-O 3.59Å; R205-K237 WeakPolarHBondContact CA-O 3.29Å; R205-K237 HydrophobicContact CB-CB 4.25Å; R205-K237 HydrophobicContact CG-CB 4.02Å
206T97.4Very high97.2Very high4 Ų455.7 Ų55.73%0.02529%0.29CS..  trans-130.4136.6169.1-59.10000109.3S173 V200 D210 Y211 K237S173-T206 PolarHBondContact OG-OG1 3.43Å; V200-T206 HydrophobicContact CG2-CG2 4.26Å; T206-D210 HydrophobicContact CG2-CB 4.37Å; T206-Y211 HydrophobicContact CG2-CD2 3.99Å; T206-Y211 HydrophobicContact CG2-CE2 3.53Å; T206-K237 PolarHBondContact N-O 3.41Å
207H97Very high97.2Very high67 Ų6759.7 Ų59.731%0.3130%0.304SS..  trans-119.3158.5-176.7-65.1-89.3000110.3R205 N209 D210R205-H207 PolarHBondContact NE-NE2 2.79Å; R205-H207 PolarHBondContact NH2-CE1 2.98Å; R205-H207 PolarHBondContact NH2-NE2 2.78Å; H207-N209 PolarHBondContact O-N 2.97Å; H207-D210 IonicContact CD2-OD2 3.05Å; H207-D210 PolarHBondContact N-OD2 3.4Å; H207-D210 WeakPolarHBondContact O-CB 3.24Å; H207-D210 PolarHBondContact O-N 2.93Å
208A97Very high97.2Very high26 Ų2661.4 Ų61.422%0.21531%0.313CS..Hα-helixtrans-56.9-34.117700000113.5D210 Y211 R212 I239 E243 L247A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 3.28Å; A208-Y211 PolarHBondContact O-N 3.42Å; A208-R212 PolarHBondContact O-N 2.88Å; A208-I239 HydrophobicContact CB-CD1 3.68Å; A208-E243 WeakPolarHBondContact CB-OE1 3.38Å; A208-L247 WeakPolarHBondContact O-CD2 3.32Å
209N97.3Very high97.2Very high82 Ų8259.3 Ų59.344%0.43930%0.304SS..Hα-helixtrans-65.7-29.7177.6-171.570.1000112.9H207 R212 Q213H207-N209 PolarHBondContact O-N 2.97Å; N209-R212 PolarHBondContact O-N 3.11Å; N209-Q213 VanDerWaalsContact ND2-CD 3.31Å; N209-Q213 PolarHBondContact ND2-NE2 3.19Å; N209-Q213 WeakPolarHBondContact O-CG 2.88Å; N209-Q213 PolarHBondContact O-N 3.49Å
210D98.1Very high97.3Very high42 Ų4256.6 Ų56.623%0.22529%0.294CS..Hα-helixtrans-65.3-42.6176.9-56.1-42.5000110.5V200 G201 T206 H207 A208 A214V200-D210 HydrophobicContact CB-CB 4Å; V200-D210 WeakPolarHBondContact CG1-O 3.38Å; V200-D210 HydrophobicContact CG2-CB 4.34Å; G201-D210 WeakPolarHBondContact CA-OD2 3.46Å; T206-D210 HydrophobicContact CG2-CB 4.37Å; H207-D210 IonicContact CD2-OD2 3.05Å; H207-D210 PolarHBondContact N-OD2 3.4Å; H207-D210 WeakPolarHBondContact O-CB 3.24Å; H207-D210 PolarHBondContact O-N 2.93Å; A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 3.28Å; D210-A214 PolarHBondContact O-N 3.48Å
211Y98.3Very high97.3Very high0 Ų056.2 Ų56.20%029%0.292CS..Hα-helixtrans-64.4-47.2173-79.8-85.2000111.6V171 S173 V200 T206 A208 Q213 A214 V215 L222 I239 L244V171-Y211 HydrophobicContact CB-CD1 4.28Å; V171-Y211 HydrophobicContact CG1-CD1 3.54Å; V171-Y211 HydrophobicContact CG1-CE1 3.97Å; V171-Y211 HydrophobicContact CG1-CG 4.43Å; S173-Y211 PolarHBondContact N-OH 3.24Å; S173-Y211 VanDerWaalsContact N-OH 3.14Å; V200-Y211 HydrophobicContact CG2-CD1 4.11Å; V200-Y211 HydrophobicContact CG2-CD2 4.13Å; V200-Y211 HydrophobicContact CG2-CE1 4.06Å; V200-Y211 HydrophobicContact CG2-CE2 4.09Å; V200-Y211 HydrophobicContact CG2-CG 4.14Å; T206-Y211 HydrophobicContact CG2-CD2 3.99Å; T206-Y211 HydrophobicContact CG2-CE2 3.53Å; A208-Y211 PolarHBondContact O-N 3.42Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.94Å; Y211-A214 PolarHBondContact O-N 2.85Å; Y211-A214 VanDerWaalsContact O-N 3.15Å; Y211-V215 PolarHBondContact O-N 3.34Å; Y211-L222 HydrophobicContact CD1-CD2 4.29Å; Y211-I239 HydrophobicContact CD2-CG2 4.06Å; Y211-I239 HydrophobicContact CE2-CG2 3.56Å; Y211-L244 HydrophobicContact CD1-CD1 3.78Å; Y211-L244 HydrophobicContact CD2-CD1 4.1Å; Y211-L244 HydrophobicContact CE1-CD1 4.11Å; Y211-L244 HydrophobicContact CE1-CD2 4.38Å; Y211-L244 HydrophobicContact CE2-CD1 4.39Å; Y211-L244 HydrophobicContact CG-CD1 3.78Å
212R98Very high97.4Very high89 Ų8955.3 Ų55.334%0.33628%0.282SS..Hα-helixtrans-57.1-43.6-178.5-177.7-179.9-66.8-836.1112.8A208 N209 A214 V215 L247 E250 L251A208-R212 PolarHBondContact O-N 2.88Å; N209-R212 PolarHBondContact O-N 3.11Å; R212-A214 VanDerWaalsContact C-N 3.27Å; R212-A214 PolarHBondContact O-N 3.35Å; R212-V215 PolarHBondContact O-N 2.99Å; R212-L247 HydrophobicContact CB-CD1 4.16Å; R212-L247 HydrophobicContact CB-CD2 4.45Å; R212-L247 HydrophobicContact CG-CD1 4.43Å; R212-E250 IonicContact CZ-OE1 3.09Å; R212-E250 IonicContact CZ-OE2 2.88Å; R212-E250 VanDerWaalsContact NH1-CD 3.27Å; R212-E250 IonicContact NH1-OE1 3.86Å; R212-E250 PolarHBondContact NH1-OE1 2.86Å; R212-E250 IonicContact NH1-OE2 2.79Å; R212-E250 VanDerWaalsContact NH2-CD 3.27Å; R212-E250 IonicContact NH2-OE1 2.66Å; R212-E250 PolarHBondContact NH2-OE1 3.34Å; R212-E250 IonicContact NH2-OE2 3.44Å; R212-E250 PolarHBondContact NH2-OE2 2.85Å; R212-L251 HydrophobicContact CG-CD1 4.39Å
213Q97.7Very high97.5Very high144 Ų14452 Ų5267%0.67326%0.262SS*.Hα-helixtrans-70.9-22.8-178.2-73-179.3-8.100113.4N209 Y211N209-Q213 VanDerWaalsContact ND2-CD 3.31Å; N209-Q213 PolarHBondContact ND2-NE2 3.19Å; N209-Q213 WeakPolarHBondContact O-CG 2.88Å; N209-Q213 PolarHBondContact O-N 3.49Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.94Å
214A97.8Very high97.6Very high5 Ų548 Ų484%0.04124%0.236CC..Hα-helixtrans-81.3-26.2178.800000113.2V171 H198 V200 D210 Y211 R212 N216V171-A214 HydrophobicContact CG1-CB 3.74Å; V171-A214 HydrophobicContact CG2-CB 4.01Å; H198-A214 PolarHBondContact CE1-O 3.02Å; H198-A214 WeakPolarHBondContact NE2-CB 3.41Å; V200-A214 HydrophobicContact CG1-CB 3.42Å; V200-A214 VanDerWaalsContact CG1-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.48Å; Y211-A214 PolarHBondContact O-N 2.85Å; Y211-A214 VanDerWaalsContact O-N 3.15Å; R212-A214 VanDerWaalsContact C-N 3.27Å; R212-A214 PolarHBondContact O-N 3.35Å; A214-N216 PolarHBondContact O-N 3.44Å; A214-N216 PolarHBondContact O-ND2 2.82Å
215V98.1Very high97.6Very high34 Ų3445 Ų4521%0.20622%0.221CC..  trans-65.3127.1-178.1176.80000110.9Y211 R212 T219 L222 L251 V253Y211-V215 PolarHBondContact O-N 3.34Å; R212-V215 PolarHBondContact O-N 2.99Å; V215-T219 HydrophobicContact CG2-CG2 4.34Å; V215-L222 HydrophobicContact CG2-CD2 3.73Å; V215-L251 HydrophobicContact CB-CD1 3.99Å; V215-L251 HydrophobicContact CG1-CB 4.29Å; V215-L251 HydrophobicContact CG1-CD1 4.29Å; V215-L251 HydrophobicContact CG2-CD1 3.66Å; V215-V253 HydrophobicContact CG1-CG2 3.83Å
216N97.8Very high97.3Very high49 Ų4941.4 Ų41.426%0.26221%0.209SC..  trans-144.6-178177.762.563.8000110.1E169 A214 N218 T219E169-N216 PolarHBondContact OE2-ND2 3.38Å; A214-N216 PolarHBondContact O-N 3.44Å; A214-N216 PolarHBondContact O-ND2 2.82Å; N216-N218 PolarHBondContact O-N 3.34Å; N216-N218 VanDerWaalsContact O-N 3.13Å; N216-N218 WeakPolarHBondContact OD1-CA 3.36Å; N216-N218 VanDerWaalsContact OD1-CB 3.28Å; N216-N218 WeakPolarHBondContact OD1-CB 3.38Å; N216-N218 PolarHBondContact OD1-N 2.84Å; N216-T219 PolarHBondContact N-OG1 3.1Å; N216-T219 WeakPolarHBondContact O-CB 3.26Å; N216-T219 PolarHBondContact O-N 3.19Å; N216-T219 PolarHBondContact O-OG1 3.16Å; N216-T219 PolarHBondContact OD1-N 3.4Å
217E97.3Very high96.7Very high162 Ų16243.3 Ų43.376%0.75722%0.221SC*.THydrogen-bonded Turntrans-61-21.1-178.268.6-79.9-175.400114.8
218N97.8Very high95.8Very high81 Ų8140.2 Ų40.243%0.43321%0.206SC..THydrogen-bonded Turntrans-91.3-6.1176.9-57.9-57.3000113K168 E169 N216 A220K168-N218 WeakPolarHBondContact CB-O 3.35Å; E169-N218 HydrophobicContact CG-CB 4.15Å; E169-N218 PolarHBondContact N-O 3.18Å; N216-N218 PolarHBondContact O-N 3.34Å; N216-N218 VanDerWaalsContact O-N 3.13Å; N216-N218 WeakPolarHBondContact OD1-CA 3.36Å; N216-N218 VanDerWaalsContact OD1-CB 3.28Å; N216-N218 WeakPolarHBondContact OD1-CB 3.38Å; N216-N218 PolarHBondContact OD1-N 2.84Å; N218-A220 PolarHBondContact O-N 3.43Å
219T98.5Very high94.9Very high14 Ų1441.6 Ų41.69%0.08621%0.21CC..EExtended strand (participates in β ladder)trans-71.7124.3-179.9-57.80000111.4V171 V215 N216 L222 V253V171-T219 HydrophobicContact CG2-CG2 3.82Å; V215-T219 HydrophobicContact CG2-CG2 4.34Å; N216-T219 PolarHBondContact N-OG1 3.1Å; N216-T219 WeakPolarHBondContact O-CB 3.26Å; N216-T219 PolarHBondContact O-N 3.19Å; N216-T219 PolarHBondContact O-OG1 3.16Å; N216-T219 PolarHBondContact OD1-N 3.4Å; T219-L222 HydrophobicContact CG2-CD2 4.44Å; T219-V253 HydrophobicContact CG2-CG1 3.89Å; T219-V253 HydrophobicContact CG2-CG2 4.28Å
220A98.4Very high94.2Very high14 Ų1441.1 Ų41.112%0.11620%0.203CC..EExtended strand (participates in β ladder)trans-101.9-31.9175.600000113.5A165 K168 E169 N218 P254A165-A220 HydrophobicContact CB-CB 3.65Å; K168-A220 HydrophobicContact CB-CB 3.56Å; K168-A220 HydrophobicContact CD-CB 3.77Å; K168-A220 HydrophobicContact CG-CB 4.31Å; E169-A220 PolarHBondContact O-N 2.78Å; N218-A220 PolarHBondContact O-N 3.43Å; A220-P254 WeakPolarHBondContact O-CD 3.15Å
221L98.6Very high93.4Very high1 Ų142 Ų421%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-147.2143.9-171.2-66.8175.8000111.4L161 T164 A165 V170 V171 P254 V256 M311L161-L221 HydrophobicContact CD2-CD1 4.2Å; T164-L221 WeakPolarHBondContact OG1-CD1 3.4Å; A165-L221 HydrophobicContact CB-CD1 3.63Å; A165-L221 HydrophobicContact CB-CG 3.97Å; V170-L221 HydrophobicContact CG1-CB 4.03Å; V170-L221 HydrophobicContact CG1-CD1 4.48Å; V170-L221 HydrophobicContact CG2-CB 4.23Å; V170-L221 HydrophobicContact CG2-CD1 4.14Å; V171-L221 PolarHBondContact N-O 2.8Å; L221-P254 HydrophobicContact CD2-CB 4.45Å; L221-P254 HydrophobicContact CD2-CG 4.05Å; L221-V256 HydrophobicContact CD1-CG2 3.92Å; L221-V256 HydrophobicContact CD2-CG1 3.76Å; L221-V256 HydrophobicContact CD2-CG2 4.26Å; L221-V256 HydrophobicContact CG-CG2 4.5Å; L221-M311 HydrophobicContact CD2-CE 4.37Å
222L98.6Very high92.7Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-96.9123.7153.5-49.9-178000107V171 Y211 V215 T219 L244 V253 P254 V255 V256V171-L222 HydrophobicContact CB-CD2 3.84Å; V171-L222 HydrophobicContact CG1-CD2 4.44Å; V171-L222 HydrophobicContact CG2-CD2 4.07Å; Y211-L222 HydrophobicContact CD1-CD2 4.29Å; V215-L222 HydrophobicContact CG2-CD2 3.73Å; T219-L222 HydrophobicContact CG2-CD2 4.44Å; L222-L244 HydrophobicContact CB-CD1 4.16Å; L222-L244 HydrophobicContact CB-CD2 4.21Å; L222-L244 HydrophobicContact CB-CG 4.25Å; L222-L244 HydrophobicContact CD1-CD1 3.74Å; L222-L244 HydrophobicContact CD1-CG 4.28Å; L222-V253 HydrophobicContact CD2-CG1 4.15Å; L222-V253 HydrophobicContact CG-CB 4.28Å; L222-V253 HydrophobicContact CG-CG1 3.84Å; L222-P254 PolarHBondContact N-O 3.4Å; L222-V255 HydrophobicContact CB-CG2 4.22Å; L222-V255 HydrophobicContact CD1-CG2 4.39Å; L222-V255 CarbonylContact O-C 3.54Å; L222-V255 VanDerWaalsContact O-CA 3.28Å; L222-V255 WeakPolarHBondContact O-CA 3.47Å; L222-V256 PolarHBondContact O-N 2.76Å
223M98.2Very high92.2Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-120.2133.7-177.1170.1172.8-173.900111.3V157 M160 L161 V170 V171 V172 M190 V225 V256 D258V157-M223 HydrophobicContact CG1-CE 3.97Å; M160-M223 HydrophobicContact CE-CE 4.35Å; L161-M223 HydrophobicContact CD2-SD 3.83Å; L161-M223 HydrophobicContact CG-SD 4.48Å; V170-M223 HydrophobicContact CG1-CB 3.66Å; V170-M223 HydrophobicContact CG1-SD 4.26Å; V171-M223 PolarHBondContact O-N 3.46Å; V172-M223 HydrophobicContact CG2-CB 3.75Å; V172-M223 HydrophobicContact CG2-CG 4.07Å; V172-M223 HydrophobicContact CG2-SD 4.5Å; M190-M223 HydrophobicContact CE-SD 3.57Å; M190-M223 VanDerWaalsContact CE-SD 3.57Å; M223-V225 HydrophobicContact CE-CG2 3.53Å; M223-V225 HydrophobicContact CG-CG2 4.25Å; M223-V256 VanDerWaalsContact CA-O 3.3Å; M223-V256 WeakPolarHBondContact CA-O 3.4Å; M223-V256 HydrophobicContact CB-CG2 3.8Å; M223-V256 HydrophobicContact CG-CG2 4.04Å; M223-V256 HydrophobicContact SD-CG2 4.44Å; M223-D258 HydrophobicContact CE-CB 4.15Å
224K97Very high91.9Very high11 Ų1144.8 Ų44.85%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-107.9144.9166.6-82.5-177.763.773.10111.5E176 I239 E241 L244 V256 T257 D258E176-K224 IonicContact OE1-NZ 3.21Å; E176-K224 PolarHBondContact OE1-NZ 3.28Å; E176-K224 VanDerWaalsContact OE2-CA 3.26Å; E176-K224 WeakPolarHBondContact OE2-CA 3.45Å; K224-I239 HydrophobicContact CD-CG2 4.47Å; K224-I239 WeakPolarHBondContact CE-O 3.43Å; K224-I239 PolarHBondContact NZ-O 3.23Å; K224-E241 HydrophobicContact CD-CG 3.92Å; K224-E241 WeakPolarHBondContact CE-OE1 3.34Å; K224-L244 HydrophobicContact CD-CD2 3.67Å; K224-L244 HydrophobicContact CG-CD2 3.56Å; K224-V256 PolarHBondContact N-O 3Å; K224-T257 HydrophobicContact CB-CG2 4.31Å; K224-T257 WeakPolarHBondContact O-CA 3.38Å; K224-D258 PolarHBondContact O-N 2.83Å
225V95Very high91.6Very high3 Ų353.3 Ų53.32%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-127.4124.3173.8-175.70000109.6E176 V178 I186 M223 T227 D258E176-V225 HydrophobicContact CB-CB 4.18Å; E176-V225 WeakPolarHBondContact CG-O 3.44Å; E176-V225 PolarHBondContact OE2-N 3.39Å; V178-V225 HydrophobicContact CG1-CG1 4.34Å; V178-V225 HydrophobicContact CG2-CG1 3.8Å; I186-V225 HydrophobicContact CD1-CG1 4.09Å; I186-V225 HydrophobicContact CD1-CG2 4.09Å; I186-V225 HydrophobicContact CG1-CG1 4.16Å; I186-V225 HydrophobicContact CG1-CG2 4.21Å; I186-V225 HydrophobicContact CG2-CG2 4.45Å; M223-V225 HydrophobicContact CE-CG2 3.53Å; M223-V225 HydrophobicContact CG-CG2 4.25Å; V225-T227 PolarHBondContact O-N 3.47Å; V225-D258 HydrophobicContact CG1-CB 4.25Å; V225-D258 HydrophobicContact CG2-CB 4.34Å
226H90Very high91.3Very high42 Ų4255.1 Ų55.119%0.19430%0.296CS..  trans-70.9125178.9-173.858.9000110.9S228 D258 L259 E275H226-S228 PolarHBondContact O-N 3.14Å; H226-D258 WeakPolarHBondContact CB-O 3.3Å; H226-D258 PolarHBondContact N-O 2.66Å; H226-L259 WeakPolarHBondContact CB-O 3.47Å; H226-L259 PolarHBondContact CD2-O 3.08Å; H226-E275 IonicContact NE2-OE2 3.19Å
227T85.2Confident91.2Very high44 Ų4457.6 Ų57.627%0.2730%0.304SS..  trans-77.161.9-178.860.10000111.8V178 V225 N229 Y230V178-T227 HydrophobicContact CG1-CG2 4.22Å; V225-T227 PolarHBondContact O-N 3.47Å; T227-N229 PolarHBondContact O-N 3.06Å; T227-Y230 HydrophobicContact CG2-CE1 4.25Å; T227-Y230 HydrophobicContact CG2-CE2 4.1Å; T227-Y230 WeakPolarHBondContact CG2-OH 3.01Å; T227-Y230 PolarHBondContact O-N 3.08Å
228S77.9Confident91Very high1 Ų152.8 Ų52.81%0.00729%0.292CS..THydrogen-bonded Turntrans-70.9-35.9-162.168.60000113.3H226 G397 S398H226-S228 PolarHBondContact O-N 3.14Å; S228-G397 CarbonylContact C-O 3.59Å; S228-G397 VanDerWaalsContact CA-O 3.23Å; S228-G397 WeakPolarHBondContact CA-O 3.26Å; S228-G397 WeakPolarHBondContact CB-O 3.04Å; S228-G397 CarbonylContact O-C 3.59Å; S228-G397 VanDerWaalsContact O-CA 3.26Å; S228-G397 WeakPolarHBondContact O-CA 3.45Å; S228-G397 PolarHBondContact OG-O 3.35Å; S228-S398 CarbonylContact O-C 3.45Å; S228-S398 PolarHBondContact O-N 3.11Å
229N77.3Confident90.8Very high56 Ų5649.1 Ų49.130%0.29927%0.273SS..THydrogen-bonded Turntrans-90.3-5.8175.563.3-37.3000114.5E179 T227 G397E179-N229 PolarHBondContact O-ND2 3.22Å; T227-N229 PolarHBondContact O-N 3.06Å; N229-G397 PolarHBondContact N-O 3.31Å
230Y82Confident90.6Very high71 Ų7152.6 Ų52.628%0.27829%0.291SS..  trans-101.3157.4-177.9100.2-78.4000119.2G175 V178 T227 I232G175-Y230 PolarHBondContact O-OH 3.25Å; V178-Y230 HydrophobicContact CB-CE1 4.11Å; V178-Y230 HydrophobicContact CG1-CE1 3.57Å; T227-Y230 HydrophobicContact CG2-CE1 4.25Å; T227-Y230 HydrophobicContact CG2-CE2 4.1Å; T227-Y230 WeakPolarHBondContact CG2-OH 3.01Å; T227-Y230 PolarHBondContact O-N 3.08Å; Y230-I232 HydrophobicContact CD2-CG1 4.06Å; Y230-I232 HydrophobicContact CE2-CD1 4.02Å; Y230-I232 HydrophobicContact CE2-CG1 3.82Å
231S82.4Confident90.5Very high61 Ų6153.5 Ų53.543%0.42729%0.292SS..  trans-148.5142.3139.266.60000110.1
232I84.1Confident90.4Very high63 Ų6355.9 Ų55.932%0.32331%0.312SS..  trans-101125171-54.5176.5000107T203 N204 Y230 T236T203-I232 HydrophobicContact CG2-CD1 4.07Å; T203-I232 WeakPolarHBondContact O-CD1 3.26Å; N204-I232 HydrophobicContact CB-CG2 4.22Å; Y230-I232 HydrophobicContact CD2-CG1 4.06Å; Y230-I232 HydrophobicContact CE2-CD1 4.02Å; Y230-I232 HydrophobicContact CE2-CG1 3.82Å; I232-T236 HydrophobicContact CB-CG2 3.91Å; I232-T236 HydrophobicContact CG2-CG2 3.5Å; I232-T236 WeakPolarHBondContact O-CG2 3.21Å
233Q87Confident90.4Very high163 Ų16359.9 Ų59.976%0.76233%0.331SS*.  trans-109.9155.3177.9-62.1-174.8200110.6
234G90.9Very high90.4Very high66 Ų6659.9 Ų59.968%0.6833%0.331SS*.SBendtrans104.6-141.5-175.900000112.3T236G234-T236 PolarHBondContact O-N 3.04Å
235F91.6Very high90.4Very high183 Ų18359.6 Ų59.680%0.80333%0.33SS*.SBendtrans-76.689.2179-66.7-79.8000111N204N204-F235 PolarHBondContact ND2-O 2.7Å
236T92.8Very high90.6Very high72 Ų7262.3 Ų62.344%0.44235%0.353SS..  trans-116.2151.8179.360.50000112.5N204 I232 G234N204-T236 HydrophobicContact CB-CG2 4.34Å; N204-T236 CarbonylContact O-C 3.57Å; N204-T236 WeakPolarHBondContact O-CA 3.33Å; I232-T236 HydrophobicContact CB-CG2 3.91Å; I232-T236 HydrophobicContact CG2-CG2 3.5Å; I232-T236 WeakPolarHBondContact O-CG2 3.21Å; G234-T236 PolarHBondContact O-N 3.04Å
237K94.1Very high91Very high102 Ų10260.6 Ų60.644%0.44335%0.345SS..BIsolated β-bridgetrans-149.1129.4171.6-177.467.7-179.4170.70108.8N204 R205 T206N204-K237 PolarHBondContact O-N 2.92Å; R205-K237 CarbonylContact C-O 3.59Å; R205-K237 WeakPolarHBondContact CA-O 3.29Å; R205-K237 HydrophobicContact CB-CB 4.25Å; R205-K237 HydrophobicContact CG-CB 4.02Å; T206-K237 PolarHBondContact N-O 3.41Å
238A93.7Very high91.6Very high61 Ų6158.7 Ų58.750%0.50433%0.334SS..  trans-127153.5167.300000108.6
239I94.3Very high92.5Very high4 Ų465.8 Ų65.82%0.02137%0.365CS..  trans-81.6136.3164.4-168.3172.9000108.1A208 Y211 K224 E243 L244A208-I239 HydrophobicContact CB-CD1 3.68Å; Y211-I239 HydrophobicContact CD2-CG2 4.06Å; Y211-I239 HydrophobicContact CE2-CG2 3.56Å; K224-I239 HydrophobicContact CD-CG2 4.47Å; K224-I239 WeakPolarHBondContact CE-O 3.43Å; K224-I239 PolarHBondContact NZ-O 3.23Å; I239-E243 HydrophobicContact CD1-CB 4.05Å; I239-E243 HydrophobicContact CD1-CG 3.82Å; I239-E243 HydrophobicContact CG1-CB 3.66Å; I239-E243 HydrophobicContact CG1-CG 3.76Å; I239-L244 HydrophobicContact CD1-CB 4.06Å; I239-L244 HydrophobicContact CD1-CD1 4.14Å; I239-L244 HydrophobicContact CG1-CB 4.4Å; I239-L244 HydrophobicContact CG2-CB 4.47Å
240D94.1Very high93.5Very high87 Ų8769.3 Ų69.347%0.46538%0.379SS..  trans-78.9164.4171.768.541.7000111.2A242 E243 L244D240-A242 VanDerWaalsContact C-N 3.27Å; D240-A242 PolarHBondContact O-N 2.94Å; D240-A242 PolarHBondContact OD1-N 2.97Å; D240-A242 VanDerWaalsContact OD1-N 3.09Å; D240-E243 PolarHBondContact O-N 2.79Å; D240-E243 WeakPolarHBondContact OD1-CB 3.38Å; D240-E243 PolarHBondContact OD1-N 3.22Å; D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 PolarHBondContact O-N 2.72Å
241E96Very high94.2Very high32 Ų3268.3 Ų68.315%0.1538%0.378CS..Hα-helixtrans-63.9-31.6-177.5-72.776.6-175.900112.4K224 L244 V245 T257 L281 V286K224-E241 HydrophobicContact CD-CG 3.92Å; K224-E241 WeakPolarHBondContact CE-OE1 3.34Å; E241-L244 PolarHBondContact O-N 2.59Å; E241-V245 WeakPolarHBondContact O-CB 3.36Å; E241-V245 WeakPolarHBondContact O-CG2 3.44Å; E241-V245 PolarHBondContact O-N 3.41Å; E241-T257 HydrophobicContact CG-CG2 4.32Å; E241-L281 HydrophobicContact CB-CD2 3.67Å; E241-L281 HydrophobicContact CG-CD2 3.56Å; E241-V286 HydrophobicContact CB-CG2 4.01Å; E241-V286 HydrophobicContact CG-CG2 4.4Å
242A96.9Very high95Very high51 Ų5172.6 Ų72.642%0.42140%0.397SS..Hα-helixtrans-70.9-43.6-179.800000111.7D240 L244 V245 A246 A284D240-A242 VanDerWaalsContact C-N 3.27Å; D240-A242 PolarHBondContact O-N 2.94Å; D240-A242 PolarHBondContact OD1-N 2.97Å; D240-A242 VanDerWaalsContact OD1-N 3.09Å; A242-L244 VanDerWaalsContact C-N 3.33Å; A242-V245 PolarHBondContact O-N 3.04Å; A242-A246 PolarHBondContact O-N 3.1Å; A242-A284 HydrophobicContact CB-CB 4.18Å
243E97.2Very high95.6Very high84 Ų8470.2 Ų70.239%0.39339%0.385SS..Hα-helixtrans-63.3-40.7173.7-168.7-174167.700110.4A208 I239 D240 A246 L247A208-E243 WeakPolarHBondContact CB-OE1 3.38Å; I239-E243 HydrophobicContact CD1-CB 4.05Å; I239-E243 HydrophobicContact CD1-CG 3.82Å; I239-E243 HydrophobicContact CG1-CB 3.66Å; I239-E243 HydrophobicContact CG1-CG 3.76Å; D240-E243 PolarHBondContact O-N 2.79Å; D240-E243 WeakPolarHBondContact OD1-CB 3.38Å; D240-E243 PolarHBondContact OD1-N 3.22Å; E243-A246 PolarHBondContact O-N 3.09Å; E243-L247 PolarHBondContact O-N 3.22Å
244L97.9Very high96.2Very high0 Ų064.9 Ų64.90%036%0.364CS..Hα-helixtrans-67.3-38176-170.463.3000112.4Y211 L222 K224 I239 D240 E241 A242 L247 G248 V255Y211-L244 HydrophobicContact CD1-CD1 3.78Å; Y211-L244 HydrophobicContact CD2-CD1 4.1Å; Y211-L244 HydrophobicContact CE1-CD1 4.11Å; Y211-L244 HydrophobicContact CE1-CD2 4.38Å; Y211-L244 HydrophobicContact CE2-CD1 4.39Å; Y211-L244 HydrophobicContact CG-CD1 3.78Å; L222-L244 HydrophobicContact CB-CD1 4.16Å; L222-L244 HydrophobicContact CB-CD2 4.21Å; L222-L244 HydrophobicContact CB-CG 4.25Å; L222-L244 HydrophobicContact CD1-CD1 3.74Å; L222-L244 HydrophobicContact CD1-CG 4.28Å; K224-L244 HydrophobicContact CD-CD2 3.67Å; K224-L244 HydrophobicContact CG-CD2 3.56Å; I239-L244 HydrophobicContact CD1-CB 4.06Å; I239-L244 HydrophobicContact CD1-CD1 4.14Å; I239-L244 HydrophobicContact CG1-CB 4.4Å; I239-L244 HydrophobicContact CG2-CB 4.47Å; D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 PolarHBondContact O-N 2.72Å; E241-L244 PolarHBondContact O-N 2.59Å; A242-L244 VanDerWaalsContact C-N 3.33Å; L244-L247 HydrophobicContact CD1-CD2 4.29Å; L244-L247 PolarHBondContact O-N 3.37Å; L244-G248 PolarHBondContact O-N 3.25Å; L244-V255 HydrophobicContact CD2-CG1 3.78Å; L244-V255 HydrophobicContact CG-CG1 4.04Å; L244-V255 HydrophobicContact CG-CG2 4.07Å; L244-V255 WeakPolarHBondContact O-CG2 3.4Å
245V98.4Very high96.6Very high5 Ų561.9 Ų61.93%0.0333%0.333CS..Hα-helixtrans-65.3-40174.2168.60000111.4E241 A242 L247 G248 K249 V255 A284 V286E241-V245 WeakPolarHBondContact O-CB 3.36Å; E241-V245 WeakPolarHBondContact O-CG2 3.44Å; E241-V245 PolarHBondContact O-N 3.41Å; A242-V245 PolarHBondContact O-N 3.04Å; V245-L247 VanDerWaalsContact C-N 3.32Å; V245-L247 PolarHBondContact O-N 3.36Å; V245-G248 PolarHBondContact O-N 3.14Å; V245-K249 HydrophobicContact CG1-CD 4.27Å; V245-K249 WeakPolarHBondContact O-CG 3.49Å; V245-K249 PolarHBondContact O-N 3.47Å; V245-V255 HydrophobicContact CB-CG2 4.46Å; V245-V255 HydrophobicContact CG2-CB 3.9Å; V245-V255 HydrophobicContact CG2-CG1 4.17Å; V245-V255 HydrophobicContact CG2-CG2 3.99Å; V245-A284 VanDerWaalsContact CG1-O 3.26Å; V245-A284 WeakPolarHBondContact CG1-O 3.13Å; V245-V286 HydrophobicContact CG2-CB 4.46Å; V245-V286 HydrophobicContact CG2-CG2 3.77Å
246A98.3Very high96.9Very high60 Ų6053.1 Ų53.150%0.49630%0.295SS..Hα-helixtrans-60-44.8174.300000111.3A242 E243 K249 E250A242-A246 PolarHBondContact O-N 3.1Å; E243-A246 PolarHBondContact O-N 3.09Å; A246-K249 PolarHBondContact O-N 3.19Å; A246-E250 PolarHBondContact O-N 3.27Å; A246-E250 VanDerWaalsContact O-N 3.16Å
247L98Very high97.1Very high7 Ų749.7 Ų49.74%0.03727%0.274CS..Hα-helixtrans-62.6-44.7174.2-179.163.9000112.3A208 R212 E243 L244 V245 K249 E250 L251A208-L247 WeakPolarHBondContact O-CD2 3.32Å; R212-L247 HydrophobicContact CB-CD1 4.16Å; R212-L247 HydrophobicContact CB-CD2 4.45Å; R212-L247 HydrophobicContact CG-CD1 4.43Å; E243-L247 PolarHBondContact O-N 3.22Å; L244-L247 HydrophobicContact CD1-CD2 4.29Å; L244-L247 PolarHBondContact O-N 3.37Å; V245-L247 VanDerWaalsContact C-N 3.32Å; V245-L247 PolarHBondContact O-N 3.36Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.06Å; L247-E250 WeakPolarHBondContact O-CB 3.23Å; L247-E250 PolarHBondContact O-N 2.99Å; L247-E250 VanDerWaalsContact O-N 3.15Å; L247-L251 HydrophobicContact CD1-CD1 3.67Å; L247-L251 HydrophobicContact CD1-CG 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.84Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.84Å
248G98.2Very high97.3Very high3 Ų345 Ų453%0.03125%0.253CS..Hα-helixtrans-60.5-39.8178.400000112.5L244 V245 L251 D252 V253L244-G248 PolarHBondContact O-N 3.25Å; V245-G248 PolarHBondContact O-N 3.14Å; G248-L251 CarbonylContact O-C 3.51Å; G248-L251 PolarHBondContact O-N 3.02Å; G248-D252 WeakPolarHBondContact O-CA 3.43Å; G248-D252 PolarHBondContact O-N 3.37Å; G248-V253 CarbonylContact C-O 3.57Å; G248-V253 WeakPolarHBondContact CA-O 3.4Å; G248-V253 PolarHBondContact O-N 3.01Å
249K97.9Very high97.3Very high151 Ų15142.1 Ų42.166%0.65723%0.229SC*.Hα-helixtrans-64.5-39.1173.6-73.8173.4-179.7171.10112.6V245 A246 L247 L251V245-K249 HydrophobicContact CG1-CD 4.27Å; V245-K249 WeakPolarHBondContact O-CG 3.49Å; V245-K249 PolarHBondContact O-N 3.47Å; A246-K249 PolarHBondContact O-N 3.19Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.06Å; K249-L251 VanDerWaalsContact C-N 3.32Å
250E97.9Very high97Very high130 Ų13042 Ų4261%0.60723%0.229SC*.Hα-helixtrans-65.9-36.3177.2-170.7-170.5149.600112.1R212 A246 L247R212-E250 IonicContact CZ-OE1 3.09Å; R212-E250 IonicContact CZ-OE2 2.88Å; R212-E250 VanDerWaalsContact NH1-CD 3.27Å; R212-E250 IonicContact NH1-OE1 3.86Å; R212-E250 PolarHBondContact NH1-OE1 2.86Å; R212-E250 IonicContact NH1-OE2 2.79Å; R212-E250 VanDerWaalsContact NH2-CD 3.27Å; R212-E250 IonicContact NH2-OE1 2.66Å; R212-E250 PolarHBondContact NH2-OE1 3.34Å; R212-E250 IonicContact NH2-OE2 3.44Å; R212-E250 PolarHBondContact NH2-OE2 2.85Å; A246-E250 PolarHBondContact O-N 3.27Å; A246-E250 VanDerWaalsContact O-N 3.16Å; L247-E250 WeakPolarHBondContact O-CB 3.23Å; L247-E250 PolarHBondContact O-N 2.99Å; L247-E250 VanDerWaalsContact O-N 3.15Å
251L97.5Very high96.7Very high49 Ų4937.9 Ų37.926%0.25721%0.207SC..Hα-helixtrans-96.40.9-176.2-61.2176.9000114.1R212 V215 L247 G248 K249 V253R212-L251 HydrophobicContact CG-CD1 4.39Å; V215-L251 HydrophobicContact CB-CD1 3.99Å; V215-L251 HydrophobicContact CG1-CB 4.29Å; V215-L251 HydrophobicContact CG1-CD1 4.29Å; V215-L251 HydrophobicContact CG2-CD1 3.66Å; L247-L251 HydrophobicContact CD1-CD1 3.67Å; L247-L251 HydrophobicContact CD1-CG 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.84Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.84Å; G248-L251 CarbonylContact O-C 3.51Å; G248-L251 PolarHBondContact O-N 3.02Å; K249-L251 VanDerWaalsContact C-N 3.32Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 HydrophobicContact CB-CG2 4.4Å; L251-V253 PolarHBondContact O-N 3.25Å
252D97.3Very high96.4Very high151 Ų15136.3 Ų36.381%0.80720%0.2SC*.THydrogen-bonded Turntrans5542-173.6-161.934.5000114G248G248-D252 WeakPolarHBondContact O-CA 3.43Å; G248-D252 PolarHBondContact O-N 3.37Å
253V98.3Very high96.2Very high13 Ų1334 Ų348%0.07918%0.18CC..  trans-123.9124.7177.4-176.40000110.5V215 T219 L222 G248 L251V215-V253 HydrophobicContact CG1-CG2 3.83Å; T219-V253 HydrophobicContact CG2-CG1 3.89Å; T219-V253 HydrophobicContact CG2-CG2 4.28Å; L222-V253 HydrophobicContact CD2-CG1 4.15Å; L222-V253 HydrophobicContact CG-CB 4.28Å; L222-V253 HydrophobicContact CG-CG1 3.84Å; G248-V253 CarbonylContact C-O 3.57Å; G248-V253 WeakPolarHBondContact CA-O 3.4Å; G248-V253 PolarHBondContact O-N 3.01Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 HydrophobicContact CB-CG2 4.4Å; L251-V253 PolarHBondContact O-N 3.25Å
254P98.4Very high96.2Very high51 Ų5130.2 Ų30.233%0.33116%0.163SC..  trans-68.2145.2178.720.2-23.9000112.6A220 L221 L222A220-P254 WeakPolarHBondContact O-CD 3.15Å; L221-P254 HydrophobicContact CD2-CB 4.45Å; L221-P254 HydrophobicContact CD2-CG 4.05Å; L222-P254 PolarHBondContact N-O 3.4Å
255V98.7Very high96Very high3 Ų331.3 Ų31.32%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-100.4133176.1-1770000110.1L222 L244 V245 S287L222-V255 HydrophobicContact CB-CG2 4.22Å; L222-V255 HydrophobicContact CD1-CG2 4.39Å; L222-V255 CarbonylContact O-C 3.54Å; L222-V255 VanDerWaalsContact O-CA 3.28Å; L222-V255 WeakPolarHBondContact O-CA 3.47Å; L244-V255 HydrophobicContact CD2-CG1 3.78Å; L244-V255 HydrophobicContact CG-CG1 4.04Å; L244-V255 HydrophobicContact CG-CG2 4.07Å; L244-V255 WeakPolarHBondContact O-CG2 3.4Å; V245-V255 HydrophobicContact CB-CG2 4.46Å; V245-V255 HydrophobicContact CG2-CB 3.9Å; V245-V255 HydrophobicContact CG2-CG1 4.17Å; V245-V255 HydrophobicContact CG2-CG2 3.99Å; V255-S287 WeakPolarHBondContact O-CA 3.43Å; V255-S287 VanDerWaalsContact O-CB 3.3Å; V255-S287 WeakPolarHBondContact O-CB 3.39Å; V255-S287 PolarHBondContact O-N 3.08Å
256V98.6Very high95.8Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-126.1149.1172.6-58.90000110.8M160 L221 L222 M223 K224 L288 M311M160-V256 HydrophobicContact CE-CB 4.24Å; M160-V256 HydrophobicContact CE-CG2 4.13Å; M160-V256 HydrophobicContact SD-CB 3.85Å; M160-V256 HydrophobicContact SD-CG1 4.24Å; M160-V256 HydrophobicContact SD-CG2 4.25Å; L221-V256 HydrophobicContact CD1-CG2 3.92Å; L221-V256 HydrophobicContact CD2-CG1 3.76Å; L221-V256 HydrophobicContact CD2-CG2 4.26Å; L221-V256 HydrophobicContact CG-CG2 4.5Å; L222-V256 PolarHBondContact O-N 2.76Å; M223-V256 VanDerWaalsContact CA-O 3.3Å; M223-V256 WeakPolarHBondContact CA-O 3.4Å; M223-V256 HydrophobicContact CB-CG2 3.8Å; M223-V256 HydrophobicContact CG-CG2 4.04Å; M223-V256 HydrophobicContact SD-CG2 4.44Å; K224-V256 PolarHBondContact N-O 3Å; V256-L288 CarbonylContact C-O 3.56Å; V256-L288 WeakPolarHBondContact CA-O 3.32Å; V256-L288 HydrophobicContact CB-CB 4.3Å; V256-L288 HydrophobicContact CG1-CB 3.83Å; V256-L288 HydrophobicContact CG1-CD1 4.27Å; V256-L288 HydrophobicContact CG1-CG 4.28Å; V256-M311 HydrophobicContact CG1-CE 4.13Å
257T98.1Very high95.5Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-131.5128.3-177.5-58.40000111.2K224 E241 L281 L288 V289 S290K224-T257 HydrophobicContact CB-CG2 4.31Å; K224-T257 WeakPolarHBondContact O-CA 3.38Å; E241-T257 HydrophobicContact CG-CG2 4.32Å; T257-L281 HydrophobicContact CG2-CD1 3.76Å; T257-L288 PolarHBondContact N-O 3.01Å; T257-V289 CarbonylContact O-C 3.57Å; T257-V289 WeakPolarHBondContact O-CA 3.42Å; T257-S290 PolarHBondContact O-N 3.29Å
258D96.6Very high95.2Very high2 Ų233.4 Ų33.41%0.01118%0.177CC..EExtended strand (participates in β ladder)trans-88.3102.3159.6-17924.5000109.8N153 V157 M223 K224 V225 H226 G260 S290N153-D258 PolarHBondContact ND2-OD1 3.42Å; V157-D258 HydrophobicContact CG2-CB 3.92Å; M223-D258 HydrophobicContact CE-CB 4.15Å; K224-D258 PolarHBondContact O-N 2.83Å; V225-D258 HydrophobicContact CG1-CB 4.25Å; V225-D258 HydrophobicContact CG2-CB 4.34Å; H226-D258 WeakPolarHBondContact CB-O 3.3Å; H226-D258 PolarHBondContact N-O 2.66Å; D258-G260 PolarHBondContact OD1-N 3.24Å; D258-S290 WeakPolarHBondContact CA-OG 3.5Å; D258-S290 PolarHBondContact OD1-OG 3.16Å; D258-S290 VanDerWaalsContact OD1-OG 3.13Å
259L94.3Very high94.9Very high1 Ų139 Ų391%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-77.5-30.4179.1-178.565.9000111.6H226 S261 P276 P278 L281 V289 S290 F291H226-L259 WeakPolarHBondContact CB-O 3.47Å; H226-L259 PolarHBondContact CD2-O 3.08Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 WeakPolarHBondContact O-CA 3.19Å; L259-S261 PolarHBondContact O-N 3.15Å; L259-P276 HydrophobicContact CD1-CB 3.53Å; L259-P276 HydrophobicContact CD1-CG 3.46Å; L259-P276 VanDerWaalsContact CD1-CG 3.46Å; L259-P278 HydrophobicContact CD2-CB 4.32Å; L259-P278 HydrophobicContact CD2-CG 4.39Å; L259-L281 HydrophobicContact CD1-CD1 4.11Å; L259-V289 HydrophobicContact CB-CG1 3.98Å; L259-V289 HydrophobicContact CD2-CG1 4.34Å; L259-S290 WeakPolarHBondContact CB-O 3.47Å; L259-S290 PolarHBondContact N-O 3.09Å; L259-F291 HydrophobicContact CB-CB 4.25Å; L259-F291 HydrophobicContact CD2-CB 4.38Å
260G88.8Confident94.6Very high2 Ų234.9 Ų34.92%0.02118%0.183CC..EExtended strand (participates in β ladder)trans68.6-78.4179.100000113.8D258 S290 S292D258-G260 PolarHBondContact OD1-N 3.24Å; G260-S290 PolarHBondContact N-O 3.22Å; G260-S292 WeakPolarHBondContact O-CB 3.34Å; G260-S292 PolarHBondContact O-N 3Å; G260-S292 PolarHBondContact O-OG 3.16Å
261S87.1Confident94.1Very high0 Ų032.1 Ų32.10%019%0.19CC..SBendtrans27.6-104.8137.21390000120.7L259 E275 K295 L296L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 WeakPolarHBondContact O-CA 3.19Å; L259-S261 PolarHBondContact O-N 3.15Å; S261-E275 PolarHBondContact OG-OE2 3.5Å; S261-K295 WeakPolarHBondContact O-CB 3.47Å; S261-L296 PolarHBondContact O-N 3Å; S261-L296 WeakPolarHBondContact OG-CD1 3.36Å
262G89.6Confident93.8Very high0 Ų030.5 Ų30.50%018%0.181CC..  trans87.117.2-179.600000115L264 L297G262-L264 PolarHBondContact O-N 3.21Å; G262-L297 WeakPolarHBondContact O-CB 3.43Å; G262-L297 PolarHBondContact O-N 3.2Å
263S93.6Very high93.2Very high1 Ų124.7 Ų24.71%0.00715%0.152CC..  trans-65.9117.7174.9-1630000110.4V265 P278S263-V265 PolarHBondContact OG-O 3.18Å; S263-P278 WeakPolarHBondContact O-CD 3.4Å
264L96.3Very high92.6Very high6 Ų630 Ų303%0.03117%0.174CC..  trans-97.50.1176.1-61.8-178.7000113I141 T142 G262 P278 Q279 F291 L297 L338 Y341I141-L264 HydrophobicContact CG2-CB 4.45Å; I141-L264 HydrophobicContact CG2-CD1 4.17Å; I141-L264 HydrophobicContact CG2-CD2 4.49Å; T142-L264 HydrophobicContact CG2-CD2 4.25Å; G262-L264 PolarHBondContact O-N 3.21Å; L264-P278 HydrophobicContact CD2-CG 3.45Å; L264-P278 VanDerWaalsContact CD2-CG 3.45Å; L264-Q279 PolarHBondContact O-NE2 3.47Å; L264-F291 HydrophobicContact CD2-CE2 4.26Å; L264-F291 HydrophobicContact CD2-CZ 4.16Å; L264-L297 HydrophobicContact CD1-CD1 3.62Å; L264-L297 HydrophobicContact CD1-CG 3.97Å; L264-L297 HydrophobicContact CG-CD1 4.15Å; L264-L297 HydrophobicContact CG-CG 4.46Å; L264-L338 HydrophobicContact CD1-CD2 3.86Å; L264-Y341 HydrophobicContact CB-CD1 3.84Å; L264-Y341 HydrophobicContact CB-CE1 3.57Å; L264-Y341 HydrophobicContact CD1-CD1 4.39Å; L264-Y341 HydrophobicContact CD1-CD2 4.25Å; L264-Y341 HydrophobicContact CD1-CE1 4.34Å; L264-Y341 HydrophobicContact CD1-CE2 4.18Å; L264-Y341 HydrophobicContact CD1-CG 4.35Å; L264-Y341 HydrophobicContact CG-CE1 4.44Å
265V94.4Very high92.1Very high22 Ų2227.9 Ų27.913%0.13316%0.16CC..SBendtrans-130.7149.5177.2-710000110.2S263 L267 Y270 Y341 L347S263-V265 PolarHBondContact OG-O 3.18Å; V265-L267 HydrophobicContact CG2-CD2 4.16Å; V265-L267 PolarHBondContact O-N 3.3Å; V265-L267 VanDerWaalsContact O-N 3.13Å; V265-Y270 HydrophobicContact CG2-CE2 4.5Å; V265-Y341 HydrophobicContact CG1-CD1 3.93Å; V265-Y341 HydrophobicContact CG1-CE1 3.85Å; V265-Y341 HydrophobicContact CG2-CE1 4.46Å; V265-L347 HydrophobicContact CG1-CD2 3.73Å
266D93.5Very high91.8Very high52 Ų5229.2 Ų29.228%0.27817%0.168SC..  trans-71.2108.5174.9-176.8-6.2000108.6S268 Q269 M277D266-S268 PolarHBondContact O-N 3.12Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.21Å; D266-S268 PolarHBondContact OD1-N 2.93Å; D266-S268 PolarHBondContact OD1-OG 2.94Å; D266-S268 PolarHBondContact OD2-OG 2.88Å; D266-S268 VanDerWaalsContact OD2-OG 3.07Å; D266-Q269 WeakPolarHBondContact O-CG 3.35Å; D266-Q269 PolarHBondContact O-N 2.86Å; D266-Q269 PolarHBondContact O-NE2 2.78Å; D266-M277 HydrophobicContact CB-CE 4.06Å; D266-M277 HydrophobicContact CB-SD 4.2Å; D266-M277 PolarHBondContact N-SD 3.34Å
267L92.1Very high91.6Very high5 Ų530.2 Ų30.23%0.02617%0.173CC..G310 helixtrans-68-22-178.3-66.2-174.9000112.6V265 Q269 Y270 L272 E275 L296 L354V265-L267 HydrophobicContact CG2-CD2 4.16Å; V265-L267 PolarHBondContact O-N 3.3Å; V265-L267 VanDerWaalsContact O-N 3.13Å; L267-Q269 PolarHBondContact O-N 2.82Å; L267-Y270 PolarHBondContact O-N 3.16Å; L267-L272 HydrophobicContact CB-CB 3.88Å; L267-L272 HydrophobicContact CB-CD1 4.46Å; L267-L272 HydrophobicContact CD2-CD1 4.2Å; L267-L272 WeakPolarHBondContact O-CB 3.49Å; L267-L272 PolarHBondContact O-N 2.92Å; L267-E275 HydrophobicContact CD1-CB 4.22Å; L267-E275 HydrophobicContact CD1-CG 3.9Å; L267-L296 HydrophobicContact CD1-CD1 4.11Å; L267-L296 HydrophobicContact CD1-CD2 4.28Å; L267-L354 HydrophobicContact CD2-CD1 4.23Å
268S91.8Very high91.6Very high60 Ų6030.2 Ų30.242%0.4217%0.173SC..G310 helixtrans-64.6-26.7-179.7740000112.9D266 Y270 G271 L272D266-S268 PolarHBondContact O-N 3.12Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.21Å; D266-S268 PolarHBondContact OD1-N 2.93Å; D266-S268 PolarHBondContact OD1-OG 2.94Å; D266-S268 PolarHBondContact OD2-OG 2.88Å; D266-S268 VanDerWaalsContact OD2-OG 3.07Å; S268-Y270 PolarHBondContact O-N 2.89Å; S268-Y270 VanDerWaalsContact O-N 3.14Å; S268-G271 PolarHBondContact O-N 3.31Å; S268-L272 WeakPolarHBondContact CA-O 3.26Å
269Q92.2Very high91.6Very high119 Ų11932.3 Ų32.356%0.55618%0.183SC*.G310 helixtrans-63.2-19.1174.284.7-167.5-64.100112.8D266 L267D266-Q269 WeakPolarHBondContact O-CG 3.35Å; D266-Q269 PolarHBondContact O-N 2.86Å; D266-Q269 PolarHBondContact O-NE2 2.78Å; L267-Q269 PolarHBondContact O-N 2.82Å
270Y90.5Very high91.7Very high65 Ų6535.5 Ų35.526%0.25520%0.198SC..G310 helixtrans-104.611.8176.8-56.2-75.6000113V265 L267 S268 L272 L354 T358V265-Y270 HydrophobicContact CG2-CE2 4.5Å; L267-Y270 PolarHBondContact O-N 3.16Å; S268-Y270 PolarHBondContact O-N 2.89Å; S268-Y270 VanDerWaalsContact O-N 3.14Å; Y270-L272 PolarHBondContact O-N 3.27Å; Y270-L354 HydrophobicContact CD2-CD1 4.07Å; Y270-L354 HydrophobicContact CE2-CD1 4.01Å; Y270-L354 HydrophobicContact CE2-CD2 4.06Å; Y270-T358 HydrophobicContact CD1-CG2 3.8Å; Y270-T358 HydrophobicContact CD2-CG2 4.34Å; Y270-T358 HydrophobicContact CG-CG2 3.66Å
271G89.2Confident92.2Very high73 Ų7335.9 Ų35.975%0.75320%0.199SC*.THydrogen-bonded Turntrans71.914.8-175.900000114.1S268S268-G271 PolarHBondContact O-N 3.31Å
272L89.6Confident92.7Very high15 Ų1537.1 Ų37.18%0.07921%0.206CC..PPolyproline II helixtrans-93.6159.2177.8-60.1173.6000110.6L267 S268 Y270 L357 T358 L404L267-L272 HydrophobicContact CB-CB 3.88Å; L267-L272 HydrophobicContact CB-CD1 4.46Å; L267-L272 HydrophobicContact CD2-CD1 4.2Å; L267-L272 WeakPolarHBondContact O-CB 3.49Å; L267-L272 PolarHBondContact O-N 2.92Å; S268-L272 WeakPolarHBondContact CA-O 3.26Å; Y270-L272 PolarHBondContact O-N 3.27Å; L272-L357 HydrophobicContact CD1-CB 3.95Å; L272-T358 HydrophobicContact CD1-CG2 4.03Å; L272-L404 HydrophobicContact CD2-CD1 4.38Å; L272-L404 HydrophobicContact CD2-CD2 3.35Å
273P84.7Confident93.1Very high28 Ų2841.4 Ų41.418%0.18224%0.241CC..PPolyproline II helixtrans-59140.8177.2-21.232.5000112E275 L399 R403P273-E275 PolarHBondContact O-N 3.34Å; P273-L399 HydrophobicContact CB-CD1 3.84Å; P273-L399 HydrophobicContact CG-CD1 4.1Å; P273-R403 HydrophobicContact CG-CB 4.5Å
274K87.3Confident93.3Very high124 Ų12443 Ų4354%0.53925%0.254SS..PPolyproline II helixtrans-63.8133176.6-175.1170.8-175.8171.80110.2E280K274-E280 WeakPolarHBondContact CE-OE1 3.24Å; K274-E280 IonicContact NZ-OE1 3.95Å; K274-E280 PolarHBondContact NZ-OE1 3.18Å; K274-E280 IonicContact NZ-OE2 3.24Å
275E87.9Confident93.4Very high8 Ų843.7 Ų43.74%0.03726%0.262CS..  trans-118.2144.8172.9-79-73.2118.600109.4H226 S261 L267 P273 L296 L399H226-E275 IonicContact NE2-OE2 3.19Å; S261-E275 PolarHBondContact OG-OE2 3.5Å; L267-E275 HydrophobicContact CD1-CB 4.22Å; L267-E275 HydrophobicContact CD1-CG 3.9Å; P273-E275 PolarHBondContact O-N 3.34Å; E275-L296 HydrophobicContact CB-CD1 4.24Å; E275-L296 HydrophobicContact CG-CD1 3.73Å; E275-L399 HydrophobicContact CG-CD1 3.99Å; E275-L399 WeakPolarHBondContact OE1-CD1 3.28Å; E275-L399 WeakPolarHBondContact OE1-CD2 3.4Å; E275-L399 VanDerWaalsContact OE1-CG 3.22Å; E275-L399 WeakPolarHBondContact OE1-CG 3.11Å
276P90.5Very high93.6Very high30 Ų3042.7 Ų42.720%0.19526%0.257CS..  trans-62.3137.8173.821.7-27.1000111L259L259-P276 HydrophobicContact CD1-CB 3.53Å; L259-P276 HydrophobicContact CD1-CG 3.46Å; L259-P276 VanDerWaalsContact CD1-CG 3.46Å
277M95.3Very high93.8Very high22 Ų2241 Ų4111%0.10825%0.249CC..  trans-112143.1-178.8-66.6-168-66.700111.8D266 Q279 E280 L281D266-M277 HydrophobicContact CB-CE 4.06Å; D266-M277 HydrophobicContact CB-SD 4.2Å; D266-M277 PolarHBondContact N-SD 3.34Å; M277-Q279 PolarHBondContact O-N 2.75Å; M277-E280 HydrophobicContact CB-CG 4.18Å; M277-E280 HydrophobicContact CE-CG 3.84Å; M277-E280 PolarHBondContact N-OE2 3.18Å; M277-E280 PolarHBondContact O-N 3.42Å; M277-E280 VanDerWaalsContact O-N 3.09Å; M277-L281 WeakPolarHBondContact O-CG 3.43Å; M277-L281 PolarHBondContact O-N 3.44Å
278P97.5Very high94.1Very high0 Ų040.8 Ų40.80%025%0.248CC..Hα-helixtrans-60.2-31.917624.8-30.2000111.6T142 L259 S263 L264 E280 L281 I282 V289 F291 V306T142-P278 HydrophobicContact CG2-CB 4.39Å; T142-P278 HydrophobicContact CG2-CG 4.19Å; L259-P278 HydrophobicContact CD2-CB 4.32Å; L259-P278 HydrophobicContact CD2-CG 4.39Å; S263-P278 WeakPolarHBondContact O-CD 3.4Å; L264-P278 HydrophobicContact CD2-CG 3.45Å; L264-P278 VanDerWaalsContact CD2-CG 3.45Å; P278-E280 PolarHBondContact O-N 2.83Å; P278-L281 PolarHBondContact O-N 3Å; P278-I282 WeakPolarHBondContact O-CB 3.44Å; P278-I282 VanDerWaalsContact O-CG1 3.24Å; P278-I282 WeakPolarHBondContact O-CG1 3.49Å; P278-I282 PolarHBondContact O-N 3.33Å; P278-V289 HydrophobicContact CB-CG1 4.12Å; P278-F291 HydrophobicContact CB-CD1 4.17Å; P278-F291 HydrophobicContact CB-CE1 3.76Å; P278-F291 HydrophobicContact CB-CZ 4.48Å; P278-F291 HydrophobicContact CG-CD1 4.36Å; P278-F291 HydrophobicContact CG-CE1 3.89Å; P278-F291 HydrophobicContact CG-CZ 4.17Å; P278-V306 HydrophobicContact CB-CG2 4.23Å
279Q97.6Very high94.5Very high45 Ų4538 Ų3821%0.2123%0.228CC..Hα-helixtrans-54.2-50.5172.8-68.483.9-20.100112.2I141 L264 M277 A283I141-Q279 WeakPolarHBondContact O-CG 3.46Å; I141-Q279 PolarHBondContact O-NE2 3.08Å; L264-Q279 PolarHBondContact O-NE2 3.47Å; M277-Q279 PolarHBondContact O-N 2.75Å; Q279-A283 VanDerWaalsContact O-CB 3.31Å; Q279-A283 WeakPolarHBondContact O-CB 3.36Å; Q279-A283 PolarHBondContact O-N 3.44Å
280E96.9Very high94.8Very high68 Ų6832.3 Ų32.332%0.31820%0.201SC..Hα-helixtrans-66.5-41.2-177.2-65.7174.6139.100110.5K274 M277 P278 A283 A284K274-E280 WeakPolarHBondContact CE-OE1 3.24Å; K274-E280 IonicContact NZ-OE1 3.95Å; K274-E280 PolarHBondContact NZ-OE1 3.18Å; K274-E280 IonicContact NZ-OE2 3.24Å; M277-E280 HydrophobicContact CB-CG 4.18Å; M277-E280 HydrophobicContact CE-CG 3.84Å; M277-E280 PolarHBondContact N-OE2 3.18Å; M277-E280 PolarHBondContact O-N 3.42Å; M277-E280 VanDerWaalsContact O-N 3.09Å; P278-E280 PolarHBondContact O-N 2.83Å; E280-A283 PolarHBondContact O-N 2.79Å; E280-A284 WeakPolarHBondContact O-CB 3.25Å; E280-A284 PolarHBondContact O-N 2.66Å
281L97.7Very high95.1Very high10 Ų1029.2 Ų29.25%0.05219%0.189CC..Hα-helixtrans-67.3-43.3179.7-63.3-168.8000112.6E241 T257 L259 M277 P278 A284 G285 V286 V289E241-L281 HydrophobicContact CB-CD2 3.67Å; E241-L281 HydrophobicContact CG-CD2 3.56Å; T257-L281 HydrophobicContact CG2-CD1 3.76Å; L259-L281 HydrophobicContact CD1-CD1 4.11Å; M277-L281 WeakPolarHBondContact O-CG 3.43Å; M277-L281 PolarHBondContact O-N 3.44Å; P278-L281 PolarHBondContact O-N 3Å; L281-A284 PolarHBondContact O-N 2.92Å; L281-G285 PolarHBondContact O-N 3.35Å; L281-V286 HydrophobicContact CB-CB 4.31Å; L281-V286 HydrophobicContact CB-CG2 4.06Å; L281-V286 VanDerWaalsContact O-CB 3.32Å; L281-V286 WeakPolarHBondContact O-CB 3.3Å; L281-V286 WeakPolarHBondContact O-CG2 3.48Å; L281-V286 PolarHBondContact O-N 3Å; L281-V289 HydrophobicContact CB-CG2 3.72Å; L281-V289 HydrophobicContact CD1-CG1 3.92Å; L281-V289 HydrophobicContact CD1-CG2 4.16Å
282I98.4Very high95.4Very high27 Ų2726 Ų2614%0.13816%0.156CC..Hα-helixtrans-63.4-43.8175-68.9-58.1000110.6A144 P278 A284 G285 V289 V306A144-I282 HydrophobicContact CB-CD1 4.38Å; A144-I282 HydrophobicContact CB-CG1 4.3Å; A144-I282 HydrophobicContact CB-CG2 4.38Å; P278-I282 WeakPolarHBondContact O-CB 3.44Å; P278-I282 VanDerWaalsContact O-CG1 3.24Å; P278-I282 WeakPolarHBondContact O-CG1 3.49Å; P278-I282 PolarHBondContact O-N 3.33Å; I282-A284 VanDerWaalsContact C-N 3.29Å; I282-A284 PolarHBondContact O-N 3.13Å; I282-G285 WeakPolarHBondContact O-CA 3.4Å; I282-G285 PolarHBondContact O-N 3.38Å; I282-V289 HydrophobicContact CD1-CG2 3.84Å; I282-V289 HydrophobicContact CG1-CG2 4.26Å; I282-V306 HydrophobicContact CD1-CG2 4.21Å; I282-V306 HydrophobicContact CG1-CG2 4.1Å
283A98.1Very high95.8Very high89 Ų8925.3 Ų25.374%0.73615%0.152SC*.Hα-helixtrans-62.4-35.617600000112.7Q279 E280 G285Q279-A283 VanDerWaalsContact O-CB 3.31Å; Q279-A283 WeakPolarHBondContact O-CB 3.36Å; Q279-A283 PolarHBondContact O-N 3.44Å; E280-A283 PolarHBondContact O-N 2.79Å; A283-G285 PolarHBondContact O-N 3.33Å
284A97.6Very high96.3Very high35 Ų3524.6 Ų24.629%0.28915%0.146SC..Hα-helixtrans-67.2-18.117400000113.1A242 V245 E280 L281 I282A242-A284 HydrophobicContact CB-CB 4.18Å; V245-A284 VanDerWaalsContact CG1-O 3.26Å; V245-A284 WeakPolarHBondContact CG1-O 3.13Å; E280-A284 WeakPolarHBondContact O-CB 3.25Å; E280-A284 PolarHBondContact O-N 2.66Å; L281-A284 PolarHBondContact O-N 2.92Å; I282-A284 VanDerWaalsContact C-N 3.29Å; I282-A284 PolarHBondContact O-N 3.13Å
285G98Very high96.7Very high20 Ų2019 Ų1921%0.20612%0.122CC..THydrogen-bonded Turntrans100.418.1177.700000114.5L281 I282 A283 S287L281-G285 PolarHBondContact O-N 3.35Å; I282-G285 WeakPolarHBondContact O-CA 3.4Å; I282-G285 PolarHBondContact O-N 3.38Å; A283-G285 PolarHBondContact O-N 3.33Å; G285-S287 PolarHBondContact O-N 3.39Å
286V98.6Very high97Very high2 Ų219.1 Ų19.11%0.01212%0.123CC..  trans-60.2131.7169.6179.50000108.8E241 V245 L281 L288 V289E241-V286 HydrophobicContact CB-CG2 4.01Å; E241-V286 HydrophobicContact CG-CG2 4.4Å; V245-V286 HydrophobicContact CG2-CB 4.46Å; V245-V286 HydrophobicContact CG2-CG2 3.77Å; L281-V286 HydrophobicContact CB-CB 4.31Å; L281-V286 HydrophobicContact CB-CG2 4.06Å; L281-V286 VanDerWaalsContact O-CB 3.32Å; L281-V286 WeakPolarHBondContact O-CB 3.3Å; L281-V286 WeakPolarHBondContact O-CG2 3.48Å; L281-V286 PolarHBondContact O-N 3Å; V286-L288 VanDerWaalsContact CG1-O 3.29Å; V286-L288 WeakPolarHBondContact CG1-O 3.29Å; V286-V289 HydrophobicContact CB-CG2 4.04Å; V286-V289 HydrophobicContact CG1-CG2 3.66Å
287S98.7Very high97.3Very high17 Ų1717.7 Ų17.712%0.11911%0.114CC..SBendtrans-78.4-34.8-169.9-55.50000112.8V255 G285 G307 K308 M311V255-S287 WeakPolarHBondContact O-CA 3.43Å; V255-S287 VanDerWaalsContact O-CB 3.3Å; V255-S287 WeakPolarHBondContact O-CB 3.39Å; V255-S287 PolarHBondContact O-N 3.08Å; G285-S287 PolarHBondContact O-N 3.39Å; S287-G307 WeakPolarHBondContact O-CA 3.39Å; S287-K308 PolarHBondContact O-N 3.37Å; S287-M311 WeakPolarHBondContact CB-SD 3.33Å
288L98.8Very high97.4Very high0 Ų016.6 Ų16.60%011%0.108CC..EExtended strand (participates in β ladder)trans-142.6138.2169.7-64174.2000110.5M160 T164 V256 T257 V286 I305 V306 M311 I312 L315M160-L288 HydrophobicContact CG-CD1 3.68Å; M160-L288 HydrophobicContact SD-CB 3.67Å; M160-L288 HydrophobicContact SD-CD1 3.94Å; T164-L288 HydrophobicContact CG2-CD1 4.1Å; V256-L288 CarbonylContact C-O 3.56Å; V256-L288 WeakPolarHBondContact CA-O 3.32Å; V256-L288 HydrophobicContact CB-CB 4.3Å; V256-L288 HydrophobicContact CG1-CB 3.83Å; V256-L288 HydrophobicContact CG1-CD1 4.27Å; V256-L288 HydrophobicContact CG1-CG 4.28Å; T257-L288 PolarHBondContact N-O 3.01Å; V286-L288 VanDerWaalsContact CG1-O 3.29Å; V286-L288 WeakPolarHBondContact CG1-O 3.29Å; L288-I305 HydrophobicContact CB-CG2 4.29Å; L288-I305 HydrophobicContact CD2-CG2 3.99Å; L288-V306 WeakPolarHBondContact CA-O 3.08Å; L288-M311 HydrophobicContact CD1-CB 4.08Å; L288-M311 HydrophobicContact CD1-CE 3.59Å; L288-M311 HydrophobicContact CD1-SD 4.41Å; L288-M311 HydrophobicContact CD2-CB 3.8Å; L288-M311 HydrophobicContact CG-CB 4.01Å; L288-M311 HydrophobicContact CG-CE 3.83Å; L288-M311 HydrophobicContact CG-SD 4.08Å; L288-I312 HydrophobicContact CD2-CD1 3.74Å; L288-I312 HydrophobicContact CD2-CG1 4.12Å; L288-L315 HydrophobicContact CD1-CD1 3.78Å; L288-L315 HydrophobicContact CD2-CD1 3.86Å
289V98.6Very high97.4Very high0 Ų016.6 Ų16.60%011%0.108CC..EExtended strand (participates in β ladder)trans-124.5124.3174.5-1770000108.9T257 L259 P278 L281 I282 V286 F291 I305 V306T257-V289 CarbonylContact O-C 3.57Å; T257-V289 WeakPolarHBondContact O-CA 3.42Å; L259-V289 HydrophobicContact CB-CG1 3.98Å; L259-V289 HydrophobicContact CD2-CG1 4.34Å; P278-V289 HydrophobicContact CB-CG1 4.12Å; L281-V289 HydrophobicContact CB-CG2 3.72Å; L281-V289 HydrophobicContact CD1-CG1 3.92Å; L281-V289 HydrophobicContact CD1-CG2 4.16Å; I282-V289 HydrophobicContact CD1-CG2 3.84Å; I282-V289 HydrophobicContact CG1-CG2 4.26Å; V286-V289 HydrophobicContact CB-CG2 4.04Å; V286-V289 HydrophobicContact CG1-CG2 3.66Å; V289-F291 HydrophobicContact CG1-CD1 4.35Å; V289-I305 WeakPolarHBondContact O-CA 3.45Å; V289-V306 HydrophobicContact CB-CG2 4.11Å; V289-V306 PolarHBondContact N-O 2.98Å; V289-V306 PolarHBondContact O-N 3.29Å
290S98.4Very high97.4Very high0 Ų015.1 Ų15.10%010%0.102CC..EExtended strand (participates in β ladder)trans-106.4142.1173.9660000112.7N153 T257 D258 L259 G260 I304N153-S290 WeakPolarHBondContact OD1-CB 3.31Å; T257-S290 PolarHBondContact O-N 3.29Å; D258-S290 WeakPolarHBondContact CA-OG 3.5Å; D258-S290 PolarHBondContact OD1-OG 3.16Å; D258-S290 VanDerWaalsContact OD1-OG 3.13Å; L259-S290 WeakPolarHBondContact CB-O 3.47Å; L259-S290 PolarHBondContact N-O 3.09Å; G260-S290 PolarHBondContact N-O 3.22Å; S290-I304 CarbonylContact C-O 3.59Å; S290-I304 VanDerWaalsContact CA-O 3.23Å; S290-I304 WeakPolarHBondContact CA-O 3.49Å
291F97.1Very high97.5Very high0 Ų015.8 Ų15.80%011%0.106CC..EExtended strand (participates in β ladder)trans-153.6165.7173.653.7-87000113.4N153 L259 L264 P278 V289 L297 I304 V306N153-F291 VanDerWaalsContact OD1-C 3.29Å; N153-F291 VanDerWaalsContact OD1-CA 3.26Å; N153-F291 WeakPolarHBondContact OD1-CA 3.27Å; N153-F291 PolarHBondContact OD1-N 2.88Å; N153-F291 PolarHBondContact OD1-O 3.37Å; L259-F291 HydrophobicContact CB-CB 4.25Å; L259-F291 HydrophobicContact CD2-CB 4.38Å; L264-F291 HydrophobicContact CD2-CE2 4.26Å; L264-F291 HydrophobicContact CD2-CZ 4.16Å; P278-F291 HydrophobicContact CB-CD1 4.17Å; P278-F291 HydrophobicContact CB-CE1 3.76Å; P278-F291 HydrophobicContact CB-CZ 4.48Å; P278-F291 HydrophobicContact CG-CD1 4.36Å; P278-F291 HydrophobicContact CG-CE1 3.89Å; P278-F291 HydrophobicContact CG-CZ 4.17Å; V289-F291 HydrophobicContact CG1-CD1 4.35Å; F291-L297 HydrophobicContact CD2-CD1 4.38Å; F291-L297 HydrophobicContact CE2-CD1 3.79Å; F291-I304 HydrophobicContact CD2-CB 4.03Å; F291-I304 HydrophobicContact CD2-CD1 4.09Å; F291-I304 HydrophobicContact CD2-CG2 4.5Å; F291-I304 HydrophobicContact CE1-CB 4.28Å; F291-I304 HydrophobicContact CE1-CG2 3.9Å; F291-I304 HydrophobicContact CE2-CB 3.67Å; F291-I304 HydrophobicContact CE2-CD1 3.55Å; F291-I304 HydrophobicContact CE2-CG1 4.21Å; F291-I304 HydrophobicContact CE2-CG2 3.72Å; F291-I304 HydrophobicContact CG-CB 4.49Å; F291-I304 HydrophobicContact CZ-CB 3.81Å; F291-I304 HydrophobicContact CZ-CD1 4.33Å; F291-I304 HydrophobicContact CZ-CG2 3.36Å; F291-I304 PolarHBondContact N-O 3.28Å; F291-I304 PolarHBondContact O-N 3.22Å; F291-V306 HydrophobicContact CE1-CG1 4.31Å; F291-V306 HydrophobicContact CE1-CG2 4.01Å; F291-V306 HydrophobicContact CZ-CG1 4.47Å
292S96.1Very high97.5Very high7 Ų715.3 Ų15.35%0.04910%0.103CC..EExtended strand (participates in β ladder)trans-86.5139.8179.4-450000111.6N153 G260 A302N153-S292 VanDerWaalsContact CB-OG 3.27Å; N153-S292 WeakPolarHBondContact CB-OG 3.42Å; G260-S292 WeakPolarHBondContact O-CB 3.34Å; G260-S292 PolarHBondContact O-N 3Å; G260-S292 PolarHBondContact O-OG 3.16Å; S292-A302 WeakPolarHBondContact CA-O 3.25Å
293G97.5Very high97.5Very high0 Ų014 Ų140%010%0.097CC..THydrogen-bonded Turntrans-77-24.6174.400000114.9L297 G299 P300 A302G293-L297 WeakPolarHBondContact O-CB 3.44Å; G293-L297 WeakPolarHBondContact O-CD2 3.46Å; G293-G299 CarbonylContact O-C 3.47Å; G293-G299 VanDerWaalsContact O-CA 3.26Å; G293-G299 WeakPolarHBondContact O-CA 3.38Å; G293-G299 PolarHBondContact O-N 3.33Å; G293-P300 CarbonylContact C-O 3.53Å; G293-P300 WeakPolarHBondContact CA-O 3.47Å; G293-A302 PolarHBondContact N-O 3.35Å
294D96.6Very high97.5Very high12 Ų129.8 Ų9.86%0.0646%0.062CC..THydrogen-bonded Turntrans-103.719.2-171.660.5-15.1000114.2R97 A98 G299 P300 Q301R97-D294 VanDerWaalsContact CB-O 3.23Å; R97-D294 WeakPolarHBondContact CB-O 3.18Å; R97-D294 WeakPolarHBondContact CD-OD2 3.3Å; R97-D294 IonicContact CZ-OD2 2.76Å; R97-D294 IonicContact NE-OD2 3.21Å; R97-D294 IonicContact NH1-OD1 3.93Å; R97-D294 PolarHBondContact NH1-OD1 3.4Å; R97-D294 IonicContact NH1-OD2 3.39Å; R97-D294 PolarHBondContact NH1-OD2 2.96Å; A98-D294 WeakPolarHBondContact CB-O 3.36Å; A98-D294 PolarHBondContact N-O 3.31Å; D294-G299 WeakPolarHBondContact CA-O 3.29Å; D294-P300 PolarHBondContact N-O 3.13Å; D294-Q301 HydrophobicContact CB-CB 4.5Å
295K94.6Very high97.6Very high8 Ų88.1 Ų8.14%0.0355%0.048CC..THydrogen-bonded Turntrans-107.9-120.3174-65.7-168.6-174.4-166.30110S261 L297 G298 S396S261-K295 WeakPolarHBondContact O-CB 3.47Å; K295-L297 PolarHBondContact O-N 3.46Å; K295-G298 PolarHBondContact O-N 2.87Å; K295-S396 WeakPolarHBondContact CE-O 3.45Å; K295-S396 PolarHBondContact NZ-O 3.01Å; K295-S396 VanDerWaalsContact NZ-O 3.09Å
296L94.8Very high97.6Very high9 Ų97.2 Ų7.25%0.0474%0.038CC..THydrogen-bonded Turntrans-70.3-18-177.1-70.9176.6000113.7L91 S261 L267 E275 G298 Y341 L357 I394L91-L296 HydrophobicContact CD1-CD2 4Å; L91-L296 HydrophobicContact CD1-CG 4.43Å; S261-L296 PolarHBondContact O-N 3Å; S261-L296 WeakPolarHBondContact OG-CD1 3.36Å; L267-L296 HydrophobicContact CD1-CD1 4.11Å; L267-L296 HydrophobicContact CD1-CD2 4.28Å; E275-L296 HydrophobicContact CB-CD1 4.24Å; E275-L296 HydrophobicContact CG-CD1 3.73Å; L296-G298 PolarHBondContact O-N 3.36Å; L296-Y341 PolarHBondContact O-OH 3.41Å; L296-L357 HydrophobicContact CD2-CD1 4.06Å; L296-I394 HydrophobicContact CD2-CG2 3.76Å
297L96.7Very high97.6Very high0 Ų07.2 Ų7.20%04%0.039CC..THydrogen-bonded Turntrans-65.4-25.7169.5-171.7150.2000112G262 L264 F291 G293 K295 G299 I304 L334 T337 L338 Y341G262-L297 WeakPolarHBondContact O-CB 3.43Å; G262-L297 PolarHBondContact O-N 3.2Å; L264-L297 HydrophobicContact CD1-CD1 3.62Å; L264-L297 HydrophobicContact CD1-CG 3.97Å; L264-L297 HydrophobicContact CG-CD1 4.15Å; L264-L297 HydrophobicContact CG-CG 4.46Å; F291-L297 HydrophobicContact CD2-CD1 4.38Å; F291-L297 HydrophobicContact CE2-CD1 3.79Å; G293-L297 WeakPolarHBondContact O-CB 3.44Å; G293-L297 WeakPolarHBondContact O-CD2 3.46Å; K295-L297 PolarHBondContact O-N 3.46Å; L297-G299 VanDerWaalsContact C-N 3.27Å; L297-G299 PolarHBondContact O-N 3.45Å; L297-I304 HydrophobicContact CD1-CD1 3.63Å; L297-L334 HydrophobicContact CD2-CD1 3.92Å; L297-T337 HydrophobicContact CD2-CG2 3.79Å; L297-L338 HydrophobicContact CD1-CD2 4.3Å; L297-Y341 VanDerWaalsContact C-OH 3.31Å; L297-Y341 VanDerWaalsContact CA-OH 3.32Å; L297-Y341 WeakPolarHBondContact CA-OH 3.4Å; L297-Y341 HydrophobicContact CG-CE2 4.32Å; L297-Y341 WeakPolarHBondContact O-CE2 3.4Å; L297-Y341 PolarHBondContact O-OH 2.92Å
298G97Very high97.6Very high0 Ų010.6 Ų10.60%05%0.051CC..  trans68.322.3178.100000114.9K295 L296 L351 T353K295-G298 PolarHBondContact O-N 2.87Å; L296-G298 PolarHBondContact O-N 3.36Å; G298-L351 WeakPolarHBondContact O-CD1 3.41Å; G298-T353 WeakPolarHBondContact CA-OG1 3.23Å
299G97.9Very high97.6Very high0 Ų017 Ų170%08%0.079CC..SBendtrans-106.3-162.3179.300000113.2Q100 G293 D294 L297Q100-G299 PolarHBondContact NE2-O 2.93Å; Q100-G299 VanDerWaalsContact OE1-C 3.25Å; G293-G299 CarbonylContact O-C 3.47Å; G293-G299 VanDerWaalsContact O-CA 3.26Å; G293-G299 WeakPolarHBondContact O-CA 3.38Å; G293-G299 PolarHBondContact O-N 3.33Å; D294-G299 WeakPolarHBondContact CA-O 3.29Å; L297-G299 VanDerWaalsContact C-N 3.27Å; L297-G299 PolarHBondContact O-N 3.45Å
300P98.1Very high97.5Very high13 Ų1324.8 Ų24.88%0.08412%0.116CC..SBendtrans-77.2169.9178.934.8-38.7000111.1Q100 G293 D294 A302 T330 A333 L334Q100-P300 VanDerWaalsContact OE1-N 3.09Å; G293-P300 CarbonylContact C-O 3.53Å; G293-P300 WeakPolarHBondContact CA-O 3.47Å; D294-P300 PolarHBondContact N-O 3.13Å; P300-A302 PolarHBondContact O-N 2.9Å; P300-T330 HydrophobicContact CG-CG2 4.21Å; P300-T330 WeakPolarHBondContact CG-O 3.46Å; P300-A333 HydrophobicContact CB-CB 3.93Å; P300-A333 HydrophobicContact CG-CB 3.69Å; P300-L334 HydrophobicContact CG-CB 3.87Å
301Q97.9Very high97.5Very high83 Ų8325.8 Ų25.839%0.38812%0.121SC..SBendtrans-60.1117.2171.1-172.7-174.4-92.300109.5N151 N152 D294 T330N151-Q301 CarbonylContact O-C 3.56Å; N152-Q301 HydrophobicContact CB-CG 3.89Å; D294-Q301 HydrophobicContact CB-CB 4.5Å; Q301-T330 WeakPolarHBondContact O-CG2 3.2Å
302A98.1Very high97.6Very high0 Ų025.8 Ų25.80%012%0.121CC..  trans-153.9152.7176.200000109.5I149 N151 N152 S292 G293 P300 I304 T330 L334I149-A302 HydrophobicContact CG2-CB 4.45Å; N151-A302 WeakPolarHBondContact O-CA 3.3Å; N152-A302 VanDerWaalsContact CA-C 3.49Å; S292-A302 WeakPolarHBondContact CA-O 3.25Å; G293-A302 PolarHBondContact N-O 3.35Å; P300-A302 PolarHBondContact O-N 2.9Å; A302-I304 HydrophobicContact CB-CG1 4.33Å; A302-T330 HydrophobicContact CB-CG2 3.99Å; A302-L334 HydrophobicContact CB-CD2 4.17Å
303G98.1Very high97.6Very high0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-105.6118.5164.300000108.5I149 V150 N152I149-G303 CarbonylContact C-O 3.56Å; I149-G303 WeakPolarHBondContact CA-O 3.33Å; V150-G303 WeakPolarHBondContact CG2-O 3.44Å; V150-G303 PolarHBondContact N-O 3.16Å; V150-G303 PolarHBondContact O-N 3.46Å; N152-G303 VanDerWaalsContact C-N 3.35Å; N152-G303 VanDerWaalsContact CA-N 3.27Å; N152-G303 VanDerWaalsContact O-CA 3.3Å; N152-G303 WeakPolarHBondContact O-CA 3.23Å
304I98.6Very high97.7Very high0 Ų033.8 Ų33.80%016%0.161CC..EExtended strand (participates in β ladder)trans-111.1126.5-176.1-60.9161.8000107.3L138 S290 F291 L297 A302 V306 L334L138-I304 HydrophobicContact CD1-CG2 3.72Å; L138-I304 HydrophobicContact CD2-CG2 3.87Å; L138-I304 HydrophobicContact CG-CG2 4.44Å; S290-I304 CarbonylContact C-O 3.59Å; S290-I304 VanDerWaalsContact CA-O 3.23Å; S290-I304 WeakPolarHBondContact CA-O 3.49Å; F291-I304 HydrophobicContact CD2-CB 4.03Å; F291-I304 HydrophobicContact CD2-CD1 4.09Å; F291-I304 HydrophobicContact CD2-CG2 4.5Å; F291-I304 HydrophobicContact CE1-CB 4.28Å; F291-I304 HydrophobicContact CE1-CG2 3.9Å; F291-I304 HydrophobicContact CE2-CB 3.67Å; F291-I304 HydrophobicContact CE2-CD1 3.55Å; F291-I304 HydrophobicContact CE2-CG1 4.21Å; F291-I304 HydrophobicContact CE2-CG2 3.72Å; F291-I304 HydrophobicContact CG-CB 4.49Å; F291-I304 HydrophobicContact CZ-CB 3.81Å; F291-I304 HydrophobicContact CZ-CD1 4.33Å; F291-I304 HydrophobicContact CZ-CG2 3.36Å; F291-I304 PolarHBondContact N-O 3.28Å; F291-I304 PolarHBondContact O-N 3.22Å; L297-I304 HydrophobicContact CD1-CD1 3.63Å; A302-I304 HydrophobicContact CB-CG1 4.33Å; I304-V306 HydrophobicContact CG2-CG1 4.05Å; I304-L334 HydrophobicContact CD1-CD1 3.99Å; I304-L334 HydrophobicContact CD1-CD2 4.2Å; I304-L334 HydrophobicContact CG1-CD2 4.29Å
305I98.7Very high97.7Very high0 Ų033.2 Ų33.20%016%0.158CC..EExtended strand (participates in β ladder)trans-116.8123.5174.4-50.2168.1000107.1A147 C148 A156 L288 V289 I312 L315A147-I305 CarbonylContact C-O 3.47Å; A147-I305 WeakPolarHBondContact CA-O 3.31Å; A147-I305 WeakPolarHBondContact CB-O 3.35Å; C148-I305 HydrophobicContact CB-CB 4.25Å; C148-I305 HydrophobicContact CB-CD1 4.46Å; C148-I305 PolarHBondContact N-O 2.92Å; C148-I305 PolarHBondContact O-N 2.91Å; A156-I305 HydrophobicContact CB-CD1 3.98Å; A156-I305 HydrophobicContact CB-CG1 3.68Å; L288-I305 HydrophobicContact CB-CG2 4.29Å; L288-I305 HydrophobicContact CD2-CG2 3.99Å; V289-I305 WeakPolarHBondContact O-CA 3.45Å; I305-I312 HydrophobicContact CB-CD1 4.4Å; I305-I312 HydrophobicContact CG2-CD1 3.94Å; I305-L315 HydrophobicContact CD1-CD1 4.35Å; I305-L315 HydrophobicContact CD1-CD2 3.7Å; I305-L315 HydrophobicContact CG2-CD1 3.97Å
306V98.7Very high97.8Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-122146.4174.1-61.10000109.3L138 T142 A144 A147 P278 I282 L288 V289 F291 I304L138-V306 HydrophobicContact CB-CG1 4.28Å; T142-V306 HydrophobicContact CG2-CG1 4.28Å; T142-V306 HydrophobicContact CG2-CG2 4.46Å; A144-V306 HydrophobicContact CB-CB 3.68Å; A144-V306 HydrophobicContact CB-CG2 4.34Å; A147-V306 HydrophobicContact CB-CG1 3.94Å; P278-V306 HydrophobicContact CB-CG2 4.23Å; I282-V306 HydrophobicContact CD1-CG2 4.21Å; I282-V306 HydrophobicContact CG1-CG2 4.1Å; L288-V306 WeakPolarHBondContact CA-O 3.08Å; V289-V306 HydrophobicContact CB-CG2 4.11Å; V289-V306 PolarHBondContact N-O 2.98Å; V289-V306 PolarHBondContact O-N 3.29Å; F291-V306 HydrophobicContact CE1-CG1 4.31Å; F291-V306 HydrophobicContact CE1-CG2 4.01Å; F291-V306 HydrophobicContact CZ-CG1 4.47Å; I304-V306 HydrophobicContact CG2-CG1 4.05Å
307G98.6Very high97.8Very high3 Ų338.8 Ų38.83%0.03119%0.194CC..EExtended strand (participates in β ladder)trans165-145.4176.600000115.3E145 D146 S287E145-G307 WeakPolarHBondContact CB-O 3.25Å; E145-G307 PolarHBondContact N-O 3.03Å; D146-G307 PolarHBondContact N-O 2.74Å; D146-G307 VanDerWaalsContact N-O 3.15Å; D146-G307 PolarHBondContact O-N 3.1Å; D146-G307 VanDerWaalsContact O-N 3.08Å; S287-G307 WeakPolarHBondContact O-CA 3.39Å
308K98.6Very high97.9Very high88 Ų8841.2 Ų41.238%0.38321%0.206SC..  trans-68.5133.5-178.6-66.4-63.4-176.7176.80112E145 S287 E310 M311 I312E145-K308 VanDerWaalsContact CD-CD 3.48Å; E145-K308 WeakPolarHBondContact OE1-CD 3.3Å; E145-K308 IonicContact OE1-NZ 3.6Å; E145-K308 PolarHBondContact OE1-NZ 2.91Å; E145-K308 WeakPolarHBondContact OE2-CA 3.27Å; E145-K308 WeakPolarHBondContact OE2-CD 3.1Å; S287-K308 PolarHBondContact O-N 3.37Å; K308-E310 VanDerWaalsContact C-N 3.3Å; K308-E310 PolarHBondContact O-N 3.34Å; K308-M311 HydrophobicContact CB-CB 4.49Å; K308-M311 HydrophobicContact CB-CG 4.43Å; K308-M311 PolarHBondContact O-N 3.49Å; K308-M311 VanDerWaalsContact O-N 3.1Å; K308-I312 WeakPolarHBondContact O-CG1 3.4Å; K308-I312 PolarHBondContact O-N 2.83Å
309K98.1Very high97.9Very high133 Ų13346.4 Ų46.458%0.57824%0.239SC*.Hα-helixtrans-56.4-42.8-174.5-176.3175.4-178.7178.10112.6E145 D146 M311 I312 A313E145-K309 HydrophobicContact CB-CB 4Å; E145-K309 PolarHBondContact OE2-N 2.9Å; D146-K309 HydrophobicContact CB-CB 4.34Å; D146-K309 HydrophobicContact CB-CG 4.34Å; K309-M311 PolarHBondContact O-N 2.95Å; K309-I312 PolarHBondContact O-N 3.44Å; K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.37Å
310E98Very high97.8Very high165 Ų16549.6 Ų49.677%0.77126%0.256SS*.Hα-helixtrans-64.5-39.2-179.5-63.7-177.617900112.5K308 A313 R314K308-E310 VanDerWaalsContact C-N 3.3Å; K308-E310 PolarHBondContact O-N 3.34Å; E310-A313 PolarHBondContact O-N 3.35Å; E310-R314 WeakPolarHBondContact O-CG 3.33Å; E310-R314 PolarHBondContact O-N 2.79Å
311M98.3Very high97.8Very high21 Ų2149.5 Ų49.510%0.10325%0.254CS..Hα-helixtrans-73-39.6177.5-66.4-17777.300111.5T164 L221 V256 S287 L288 K308 K309 A313 R314 L315T164-M311 HydrophobicContact CG2-CE 3.75Å; L221-M311 HydrophobicContact CD2-CE 4.37Å; V256-M311 HydrophobicContact CG1-CE 4.13Å; S287-M311 WeakPolarHBondContact CB-SD 3.33Å; L288-M311 HydrophobicContact CD1-CB 4.08Å; L288-M311 HydrophobicContact CD1-CE 3.59Å; L288-M311 HydrophobicContact CD1-SD 4.41Å; L288-M311 HydrophobicContact CD2-CB 3.8Å; L288-M311 HydrophobicContact CG-CB 4.01Å; L288-M311 HydrophobicContact CG-CE 3.83Å; L288-M311 HydrophobicContact CG-SD 4.08Å; K308-M311 HydrophobicContact CB-CB 4.49Å; K308-M311 HydrophobicContact CB-CG 4.43Å; K308-M311 PolarHBondContact O-N 3.49Å; K308-M311 VanDerWaalsContact O-N 3.1Å; K309-M311 PolarHBondContact O-N 2.95Å; M311-A313 VanDerWaalsContact C-N 3.3Å; M311-A313 PolarHBondContact O-N 3.46Å; M311-R314 WeakPolarHBondContact O-CB 3.32Å; M311-R314 PolarHBondContact O-N 3.17Å; M311-L315 WeakPolarHBondContact O-CD1 3.36Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.36Å
312I98.3Very high97.7Very high0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-60-40.4171.8-63.4-68000111D146 C148 L288 I305 K308 K309 R314 L315 Q316D146-I312 HydrophobicContact CB-CB 3.85Å; D146-I312 HydrophobicContact CB-CG1 4Å; D146-I312 HydrophobicContact CB-CG2 3.77Å; C148-I312 HydrophobicContact CB-CD1 4.27Å; C148-I312 HydrophobicContact CB-CG2 4.37Å; L288-I312 HydrophobicContact CD2-CD1 3.74Å; L288-I312 HydrophobicContact CD2-CG1 4.12Å; I305-I312 HydrophobicContact CB-CD1 4.4Å; I305-I312 HydrophobicContact CG2-CD1 3.94Å; K308-I312 WeakPolarHBondContact O-CG1 3.4Å; K308-I312 PolarHBondContact O-N 2.83Å; K309-I312 PolarHBondContact O-N 3.44Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.95Å; I312-L315 HydrophobicContact CD1-CD1 3.8Å; I312-L315 WeakPolarHBondContact O-CB 3.11Å; I312-L315 PolarHBondContact O-N 3.24Å; I312-Q316 HydrophobicContact CG2-CG 4.12Å; I312-Q316 VanDerWaalsContact O-CG 3.26Å; I312-Q316 WeakPolarHBondContact O-CG 3.36Å; I312-Q316 PolarHBondContact O-N 2.95Å
313A97.3Very high97.6Very high53 Ų5357.1 Ų57.144%0.43830%0.297SS..Hα-helixtrans-61.4-38.8175.100000112.7K309 E310 M311 Q316 S317K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.37Å; E310-A313 PolarHBondContact O-N 3.35Å; M311-A313 VanDerWaalsContact C-N 3.3Å; M311-A313 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 2.88Å; A313-S317 WeakPolarHBondContact O-CB 3.07Å; A313-S317 PolarHBondContact O-N 3.24Å; A313-S317 PolarHBondContact O-OG 3.12Å
314R97.9Very high97.6Very high121 Ų12158.5 Ų58.546%0.45730%0.304SS..Hα-helixtrans-63-44.1172.7-68.3171.763.4179.64.4111.8A163 T164 E310 M311 I312 S317 H318A163-R314 PolarHBondContact O-NE 3.05Å; A163-R314 PolarHBondContact O-NH2 3.21Å; T164-R314 VanDerWaalsContact CA-NH2 3.33Å; T164-R314 PolarHBondContact O-NH2 3.1Å; E310-R314 WeakPolarHBondContact O-CG 3.33Å; E310-R314 PolarHBondContact O-N 2.79Å; M311-R314 WeakPolarHBondContact O-CB 3.32Å; M311-R314 PolarHBondContact O-N 3.17Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.95Å; R314-S317 PolarHBondContact O-N 3.12Å; R314-S317 PolarHBondContact O-OG 3.03Å; R314-H318 WeakPolarHBondContact O-CB 3.15Å; R314-H318 PolarHBondContact O-N 2.93Å; R314-H318 VanDerWaalsContact O-N 3.13Å
315L97.8Very high97.5Very high0 Ų061.4 Ų61.40%032%0.315CS..Hα-helixtrans-59.6-47.3175.5-73.1148.7000111.8L159 M160 A163 L288 I305 M311 I312 S317 H318L159-L315 HydrophobicContact CB-CD2 4.27Å; L159-L315 HydrophobicContact CD2-CB 4.46Å; L159-L315 HydrophobicContact CD2-CD2 4.05Å; L159-L315 HydrophobicContact CG-CD2 3.67Å; M160-L315 HydrophobicContact CB-CD2 4.26Å; A163-L315 HydrophobicContact CB-CD2 4.28Å; A163-L315 HydrophobicContact CB-CG 4.37Å; L288-L315 HydrophobicContact CD1-CD1 3.78Å; L288-L315 HydrophobicContact CD2-CD1 3.86Å; I305-L315 HydrophobicContact CD1-CD1 4.35Å; I305-L315 HydrophobicContact CD1-CD2 3.7Å; I305-L315 HydrophobicContact CG2-CD1 3.97Å; M311-L315 WeakPolarHBondContact O-CD1 3.36Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.36Å; I312-L315 HydrophobicContact CD1-CD1 3.8Å; I312-L315 WeakPolarHBondContact O-CB 3.11Å; I312-L315 PolarHBondContact O-N 3.24Å; L315-S317 PolarHBondContact O-N 3.21Å; L315-H318 PolarHBondContact O-N 2.97Å
316Q95.8Very high97.4Very high41 Ų4161.4 Ų61.419%0.19232%0.315CS..Hα-helixtrans-67.4-33.7-177.5-67.3-72.214.300112.8H129 A147 I312 A313H129-Q316 PolarHBondContact CE1-OE1 3.29Å; H129-Q316 PolarHBondContact NE2-OE1 3.05Å; A147-Q316 PolarHBondContact O-NE2 2.95Å; I312-Q316 HydrophobicContact CG2-CG 4.12Å; I312-Q316 VanDerWaalsContact O-CG 3.26Å; I312-Q316 WeakPolarHBondContact O-CG 3.36Å; I312-Q316 PolarHBondContact O-N 2.95Å; A313-Q316 PolarHBondContact O-N 2.88Å
317S96.2Very high97.3Very high94 Ų9464.1 Ų64.166%0.65733%0.33SS*.Hα-helixtrans-83.3-1317854.80000114A313 R314 L315A313-S317 WeakPolarHBondContact O-CB 3.07Å; A313-S317 PolarHBondContact O-N 3.24Å; A313-S317 PolarHBondContact O-OG 3.12Å; R314-S317 PolarHBondContact O-N 3.12Å; R314-S317 PolarHBondContact O-OG 3.03Å; L315-S317 PolarHBondContact O-N 3.21Å
318H97.6Very high97.1Very high51 Ų5167.7 Ų67.724%0.23635%0.345CS..SBendtrans-70.2132.8-178.1-168-86000112L159 A163 R314 L315 L320 K321L159-H318 HydrophobicContact CD1-CB 4.01Å; A163-H318 HydrophobicContact CB-CB 4.03Å; R314-H318 WeakPolarHBondContact O-CB 3.15Å; R314-H318 PolarHBondContact O-N 2.93Å; R314-H318 VanDerWaalsContact O-N 3.13Å; L315-H318 PolarHBondContact O-N 2.97Å; H318-L320 VanDerWaalsContact C-N 3.27Å; H318-L320 WeakPolarHBondContact ND1-CB 3.36Å; H318-L320 PolarHBondContact ND1-N 3.34Å; H318-L320 PolarHBondContact O-N 3.02Å; H318-L320 VanDerWaalsContact O-N 3.1Å; H318-K321 WeakPolarHBondContact O-CB 3.31Å; H318-K321 PolarHBondContact O-N 3.37Å
319P96.8Very high97.1Very high109 Ų10967.3 Ų67.371%0.70835%0.345SS*.THydrogen-bonded Turntrans-55.5-34.7-176.1-28.535.3000115.2K321 R322P319-K321 PolarHBondContact O-N 2.84Å; P319-R322 PolarHBondContact O-N 3.32Å; P319-R322 VanDerWaalsContact O-N 3.17Å
320L97Very high97Very high66 Ų6661.8 Ų61.835%0.34632%0.323SS..Hα-helixtrans-59-29.2176.6-70.1175.1000113.1L159 A162 H318 R322 A323 L324L159-L320 HydrophobicContact CD1-CB 3.93Å; A162-L320 HydrophobicContact CB-CD1 3.84Å; H318-L320 VanDerWaalsContact C-N 3.27Å; H318-L320 WeakPolarHBondContact ND1-CB 3.36Å; H318-L320 PolarHBondContact ND1-N 3.34Å; H318-L320 PolarHBondContact O-N 3.02Å; H318-L320 VanDerWaalsContact O-N 3.1Å; L320-R322 PolarHBondContact O-N 3.48Å; L320-R322 VanDerWaalsContact O-N 3.1Å; L320-A323 PolarHBondContact O-N 3.07Å; L320-L324 HydrophobicContact CB-CD1 4.22Å; L320-L324 WeakPolarHBondContact O-CG 3.42Å; L320-L324 PolarHBondContact O-N 3.29Å
321K96.7Very high97Very high12 Ų1254.2 Ų54.25%0.05229%0.287CS..Hα-helixtrans-54.1-34.5177.9174.255.4170.4141.40111.8D131 C148 I149 V150 L159 H318 P319 L324 R325D131-K321 IonicContact OD2-NZ 3.77Å; D131-K321 PolarHBondContact OD2-NZ 2.6Å; C148-K321 WeakPolarHBondContact SG-CE 3.37Å; I149-K321 PolarHBondContact O-NZ 2.71Å; V150-K321 HydrophobicContact CG1-CD 3.88Å; L159-K321 HydrophobicContact CD1-CB 4.31Å; L159-K321 HydrophobicContact CD2-CB 4.15Å; L159-K321 HydrophobicContact CD2-CD 3.99Å; H318-K321 WeakPolarHBondContact O-CB 3.31Å; H318-K321 PolarHBondContact O-N 3.37Å; P319-K321 PolarHBondContact O-N 2.84Å; K321-L324 PolarHBondContact O-N 2.98Å; K321-R325 WeakPolarHBondContact O-CB 3.36Å; K321-R325 PolarHBondContact O-N 3.09Å
322R95.8Very high97Very high159 Ų15953.9 Ų53.960%0.629%0.288SS*.Hα-helixtrans-67.9-36178.317957-174.579.53.1113P319 L320P319-R322 PolarHBondContact O-N 3.32Å; P319-R322 VanDerWaalsContact O-N 3.17Å; L320-R322 PolarHBondContact O-N 3.48Å; L320-R322 VanDerWaalsContact O-N 3.1Å
323A97.6Very high97Very high83 Ų8354.1 Ų54.169%0.68629%0.29SS*.Hα-helixtrans-76.4-30176.700000111.9L320L320-A323 PolarHBondContact O-N 3.07Å
324L97.7Very high97Very high30 Ų3051.6 Ų51.616%0.15727%0.269CS..SBendtrans-97.47.3-176.1-57.6176.9000113.7V150 N151 A155 L158 L159 L320 K321V150-L324 CarbonylContact C-O 3.5Å; V150-L324 VanDerWaalsContact CA-O 3.24Å; V150-L324 WeakPolarHBondContact CA-O 3.5Å; V150-L324 HydrophobicContact CB-CB 4.25Å; V150-L324 VanDerWaalsContact CB-O 3.24Å; V150-L324 WeakPolarHBondContact CB-O 3.31Å; V150-L324 HydrophobicContact CG1-CB 4.24Å; N151-L324 PolarHBondContact N-O 3.47Å; A155-L324 HydrophobicContact CB-CB 4.18Å; A155-L324 HydrophobicContact CB-CD1 4.07Å; A155-L324 HydrophobicContact CB-CD2 3.82Å; A155-L324 HydrophobicContact CB-CG 4.22Å; L158-L324 HydrophobicContact CD2-CD1 4.48Å; L159-L324 HydrophobicContact CB-CD1 4.04Å; L320-L324 HydrophobicContact CB-CD1 4.22Å; L320-L324 WeakPolarHBondContact O-CG 3.42Å; L320-L324 PolarHBondContact O-N 3.29Å; K321-L324 PolarHBondContact O-N 2.98Å
325R95.7Very high97Very high60 Ų6048.1 Ų48.123%0.22626%0.258CS..BIsolated β-bridgetrans-65.2135.6-172.9-168171.768.7165.7-0.7111.6E119 R130 K321E119-R325 IonicContact OE1-CZ 2.73Å; E119-R325 IonicContact OE1-NH1 3.96Å; E119-R325 PolarHBondContact OE1-NH1 2.85Å; E119-R325 IonicContact OE2-NH1 2.67Å; E119-R325 PolarHBondContact OE2-NH1 3.01Å; R130-R325 VanDerWaalsContact CZ-NH1 3.29Å; R130-R325 VanDerWaalsContact NE-CD 3.28Å; R130-R325 VanDerWaalsContact NH1-NE 3.14Å; R130-R325 VanDerWaalsContact NH2-NH2 3.12Å; K321-R325 WeakPolarHBondContact O-CB 3.36Å; K321-R325 PolarHBondContact O-N 3.09Å
326A96.8Very high97Very high0 Ų048.7 Ų48.70%026%0.262CS..PPolyproline II helixtrans-63.6143.9170.900000111.4R130 I149 T330 L331R130-A326 PolarHBondContact NH1-O 3.07Å; I149-A326 HydrophobicContact CG2-CB 4.11Å; A326-T330 HydrophobicContact CB-CG2 4.03Å; A326-L331 HydrophobicContact CB-CD2 3.98Å; A326-L331 HydrophobicContact CB-CG 4.07Å
327D96.5Very high97.2Very high57 Ų5746.7 Ų46.731%0.30525%0.253SS..PPolyproline II helixtrans-80.5172.6174.677.591.4000111.4M329 T330 L331D327-M329 VanDerWaalsContact C-N 3.32Å; D327-M329 PolarHBondContact O-N 3.25Å; D327-M329 WeakPolarHBondContact OD1-CA 3.38Å; D327-M329 WeakPolarHBondContact OD1-CB 3.46Å; D327-M329 VanDerWaalsContact OD1-CE 3.26Å; D327-M329 WeakPolarHBondContact OD1-CE 3.18Å; D327-M329 PolarHBondContact OD1-N 3.01Å; D327-T330 PolarHBondContact O-N 2.67Å; D327-T330 PolarHBondContact OD1-N 3.19Å; D327-T330 PolarHBondContact OD2-OG1 3.43Å; D327-T330 VanDerWaalsContact OD2-OG1 3.08Å; D327-L331 WeakPolarHBondContact O-CG 3.45Å; D327-L331 PolarHBondContact O-N 3.04Å; D327-L331 VanDerWaalsContact O-N 3.11Å
328K95.5Very high97.2Very high79 Ų7942.2 Ų42.234%0.34322%0.222SC..Hα-helixtrans-67.2-30.7-174.770.2172.8-179.1168.20113.6A111 L118 A332A111-K328 WeakPolarHBondContact O-CE 3.41Å; A111-K328 PolarHBondContact O-NZ 3.26Å; L118-K328 HydrophobicContact CD1-CB 3.9Å; L118-K328 HydrophobicContact CD2-CB 3.83Å; L118-K328 HydrophobicContact CG-CB 4.48Å; K328-A332 WeakPolarHBondContact O-CB 3.22Å; K328-A332 PolarHBondContact O-N 3.04Å
329M97.2Very high97.3Very high80 Ų8045.9 Ų45.939%0.39423%0.233SC..Hα-helixtrans-70.9-47.1-179.6-57.3173.5-70.300109V108 M112 D327 L331 A332 A333V108-M329 HydrophobicContact CG1-CB 4Å; V108-M329 HydrophobicContact CG1-CG 4.09Å; V108-M329 HydrophobicContact CG2-CB 4.34Å; V108-M329 WeakPolarHBondContact CG2-O 3.45Å; M112-M329 HydrophobicContact CE-SD 4.35Å; M112-M329 HydrophobicContact CG-CG 4.15Å; M112-M329 HydrophobicContact CG-SD 4.28Å; M112-M329 HydrophobicContact SD-CG 4.38Å; M112-M329 HydrophobicContact SD-SD 3.9Å; D327-M329 VanDerWaalsContact C-N 3.32Å; D327-M329 PolarHBondContact O-N 3.25Å; D327-M329 WeakPolarHBondContact OD1-CA 3.38Å; D327-M329 WeakPolarHBondContact OD1-CB 3.46Å; D327-M329 VanDerWaalsContact OD1-CE 3.26Å; D327-M329 WeakPolarHBondContact OD1-CE 3.18Å; D327-M329 PolarHBondContact OD1-N 3.01Å; M329-L331 VanDerWaalsContact C-N 3.33Å; M329-L331 PolarHBondContact O-N 3.35Å; M329-A332 PolarHBondContact O-N 3.08Å; M329-A333 WeakPolarHBondContact O-CB 3.37Å; M329-A333 PolarHBondContact O-N 3.39Å
330T97.6Very high97.3Very high17 Ų1741.7 Ų41.710%0.10421%0.205CC..Hα-helixtrans-57.4-44.8173.8-69.90000112P300 Q301 A302 A326 D327 L334P300-T330 HydrophobicContact CG-CG2 4.21Å; P300-T330 WeakPolarHBondContact CG-O 3.46Å; Q301-T330 WeakPolarHBondContact O-CG2 3.2Å; A302-T330 HydrophobicContact CB-CG2 3.99Å; A326-T330 HydrophobicContact CB-CG2 4.03Å; D327-T330 PolarHBondContact O-N 2.67Å; D327-T330 PolarHBondContact OD1-N 3.19Å; D327-T330 PolarHBondContact OD2-OG1 3.43Å; D327-T330 VanDerWaalsContact OD2-OG1 3.08Å; T330-L334 WeakPolarHBondContact O-CB 3.36Å; T330-L334 PolarHBondContact O-N 2.97Å
331L97.5Very high97.3Very high6 Ų639.6 Ų39.63%0.03119%0.193CC..Hα-helixtrans-65.7-43.1178.4-66.8174.1000112.4L118 R130 L134 I149 A326 D327 M329 L334 E335L118-L331 HydrophobicContact CD1-CD1 3.9Å; R130-L331 HydrophobicContact CB-CD1 4.1Å; R130-L331 HydrophobicContact CG-CD1 4.14Å; L134-L331 HydrophobicContact CD2-CB 4.43Å; L134-L331 HydrophobicContact CD2-CD2 3.9Å; L134-L331 WeakPolarHBondContact CD2-O 3.48Å; I149-L331 HydrophobicContact CB-CD2 4.46Å; I149-L331 HydrophobicContact CD1-CD2 4.33Å; I149-L331 HydrophobicContact CG2-CD2 3.99Å; A326-L331 HydrophobicContact CB-CD2 3.98Å; A326-L331 HydrophobicContact CB-CG 4.07Å; D327-L331 WeakPolarHBondContact O-CG 3.45Å; D327-L331 PolarHBondContact O-N 3.04Å; D327-L331 VanDerWaalsContact O-N 3.11Å; M329-L331 VanDerWaalsContact C-N 3.33Å; M329-L331 PolarHBondContact O-N 3.35Å; L331-L334 PolarHBondContact O-N 3.38Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 PolarHBondContact O-N 3.31Å
332A97.4Very high97.3Very high14 Ų1441.7 Ų41.712%0.11620%0.204CC..Hα-helixtrans-62.8-46.9177.800000112.3A107 A111 K328 M329 A336A107-A332 HydrophobicContact CB-CB 4.33Å; A111-A332 HydrophobicContact CB-CB 3.79Å; K328-A332 WeakPolarHBondContact O-CB 3.22Å; K328-A332 PolarHBondContact O-N 3.04Å; M329-A332 PolarHBondContact O-N 3.08Å; A332-A336 PolarHBondContact O-N 3.5Å
333A98.3Very high97.3Very high4 Ų438.9 Ų38.93%0.03320%0.198CC..Hα-helixtrans-63-44.8176.200000111.7A104 V108 P300 M329 E335 A336 T337A104-A333 HydrophobicContact CB-CB 4.05Å; V108-A333 HydrophobicContact CG2-CB 3.63Å; P300-A333 HydrophobicContact CB-CB 3.93Å; P300-A333 HydrophobicContact CG-CB 3.69Å; M329-A333 WeakPolarHBondContact O-CB 3.37Å; M329-A333 PolarHBondContact O-N 3.39Å; A333-E335 PolarHBondContact O-N 3.24Å; A333-A336 PolarHBondContact O-N 3.35Å; A333-T337 WeakPolarHBondContact O-CB 3.45Å; A333-T337 PolarHBondContact O-N 3.38Å; A333-T337 PolarHBondContact O-OG1 3.4Å; A333-T337 VanDerWaalsContact O-OG1 3.13Å
334L98.4Very high97.1Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-64-43-178.7-17960.6000111.5L134 I149 L297 P300 A302 I304 T330 L331 T337 L338L134-L334 HydrophobicContact CD2-CB 4Å; L134-L334 HydrophobicContact CD2-CD2 3.91Å; L134-L334 HydrophobicContact CD2-CG 3.96Å; I149-L334 HydrophobicContact CD1-CD2 4.22Å; I149-L334 HydrophobicContact CG1-CD2 4.41Å; I149-L334 HydrophobicContact CG2-CD2 3.94Å; L297-L334 HydrophobicContact CD2-CD1 3.92Å; P300-L334 HydrophobicContact CG-CB 3.87Å; A302-L334 HydrophobicContact CB-CD2 4.17Å; I304-L334 HydrophobicContact CD1-CD1 3.99Å; I304-L334 HydrophobicContact CD1-CD2 4.2Å; I304-L334 HydrophobicContact CG1-CD2 4.29Å; T330-L334 WeakPolarHBondContact O-CB 3.36Å; T330-L334 PolarHBondContact O-N 2.97Å; L331-L334 PolarHBondContact O-N 3.38Å; L334-T337 PolarHBondContact O-N 2.85Å; L334-L338 HydrophobicContact CD1-CD1 4.17Å; L334-L338 HydrophobicContact CD1-CG 4.04Å; L334-L338 HydrophobicContact CG-CD1 3.93Å; L334-L338 HydrophobicContact CG-CG 4.27Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 VanDerWaalsContact O-CG 3.23Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.27Å
335E97.8Very high97Very high49 Ų4943.9 Ų43.923%0.22921%0.213CC..Hα-helixtrans-60-47177.1-167.3-166.4-175.400111.5L134 L331 A333 L338 R339L134-E335 HydrophobicContact CD1-CB 4.08Å; L134-E335 HydrophobicContact CD1-CG 4.21Å; L134-E335 HydrophobicContact CD2-CB 4.12Å; L134-E335 HydrophobicContact CG-CB 3.93Å; L134-E335 HydrophobicContact CG-CG 4.19Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 PolarHBondContact O-N 3.31Å; A333-E335 PolarHBondContact O-N 3.24Å; E335-L338 PolarHBondContact O-N 3.15Å; E335-R339 VanDerWaalsContact CG-NH1 3.31Å; E335-R339 WeakPolarHBondContact O-CG 3.45Å; E335-R339 PolarHBondContact O-N 3.06Å; E335-R339 IonicContact OE1-CZ 3.31Å; E335-R339 IonicContact OE1-NH1 3.85Å; E335-R339 PolarHBondContact OE1-NH1 3.36Å; E335-R339 IonicContact OE1-NH2 2.9Å; E335-R339 PolarHBondContact OE1-NH2 3.42Å; E335-R339 IonicContact OE2-NH1 3.76Å; E335-R339 PolarHBondContact OE2-NH1 3.05Å
336A98Very high97Very high11 Ų1141.8 Ų41.89%0.09121%0.208CC..Hα-helixtrans-61.9-43.5177.200000112A103 A104 A107 A332 A333 R339 L340A103-A336 WeakPolarHBondContact O-CB 3.32Å; A104-A336 HydrophobicContact CB-CB 4.23Å; A107-A336 HydrophobicContact CB-CB 3.82Å; A332-A336 PolarHBondContact O-N 3.5Å; A333-A336 PolarHBondContact O-N 3.35Å; A336-R339 PolarHBondContact O-N 3.26Å; A336-L340 PolarHBondContact O-N 3.31Å
337T98.4Very high97Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-63-47175.5-63.80000111.8L297 A333 L334 R339 L340 Y341 L351L297-T337 HydrophobicContact CD2-CG2 3.79Å; A333-T337 WeakPolarHBondContact O-CB 3.45Å; A333-T337 PolarHBondContact O-N 3.38Å; A333-T337 PolarHBondContact O-OG1 3.4Å; A333-T337 VanDerWaalsContact O-OG1 3.13Å; L334-T337 PolarHBondContact O-N 2.85Å; T337-R339 PolarHBondContact O-N 3.25Å; T337-L340 VanDerWaalsContact O-CB 3.29Å; T337-L340 WeakPolarHBondContact O-CB 3.1Å; T337-L340 PolarHBondContact O-N 2.94Å; T337-Y341 HydrophobicContact CG2-CE2 4.2Å; T337-Y341 WeakPolarHBondContact O-CD2 3.37Å; T337-L351 HydrophobicContact CG2-CD1 3.96Å
338L98.2Very high96.9Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-61.7-32.2178.1-71.7172.8000112.2L137 L138 I141 L264 L297 L334 E335 L340 Y341L137-L338 HydrophobicContact CD2-CB 3.37Å; L137-L338 HydrophobicContact CD2-CD1 4.25Å; L137-L338 HydrophobicContact CD2-CG 4.47Å; L137-L338 HydrophobicContact CG-CB 3.86Å; L137-L338 HydrophobicContact CG-CD1 4.4Å; L138-L338 HydrophobicContact CD2-CD1 3.79Å; L138-L338 HydrophobicContact CD2-CD2 3.76Å; L138-L338 HydrophobicContact CD2-CG 4.46Å; L138-L338 HydrophobicContact CG-CD1 3.83Å; I141-L338 HydrophobicContact CD1-CB 4.14Å; I141-L338 HydrophobicContact CD1-CD2 3.97Å; L264-L338 HydrophobicContact CD1-CD2 3.86Å; L297-L338 HydrophobicContact CD1-CD2 4.3Å; L334-L338 HydrophobicContact CD1-CD1 4.17Å; L334-L338 HydrophobicContact CD1-CG 4.04Å; L334-L338 HydrophobicContact CG-CD1 3.93Å; L334-L338 HydrophobicContact CG-CG 4.27Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 VanDerWaalsContact O-CG 3.23Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.27Å; E335-L338 PolarHBondContact O-N 3.15Å; L338-L340 VanDerWaalsContact C-N 3.29Å; L338-L340 PolarHBondContact O-N 3.31Å; L338-Y341 WeakPolarHBondContact O-CB 3.44Å; L338-Y341 PolarHBondContact O-N 3.48Å
339R97.7Very high96.9Very high127 Ų12743.7 Ų43.748%0.47922%0.221SC..Hα-helixtrans-65.1-30.3173.4-77.7-172.2173.6105.19.3113L137 E335 A336 T337 Y341 L342L137-R339 HydrophobicContact CD2-CG 4.07Å; E335-R339 VanDerWaalsContact CG-NH1 3.31Å; E335-R339 WeakPolarHBondContact O-CG 3.45Å; E335-R339 PolarHBondContact O-N 3.06Å; E335-R339 IonicContact OE1-CZ 3.31Å; E335-R339 IonicContact OE1-NH1 3.85Å; E335-R339 PolarHBondContact OE1-NH1 3.36Å; E335-R339 IonicContact OE1-NH2 2.9Å; E335-R339 PolarHBondContact OE1-NH2 3.42Å; E335-R339 IonicContact OE2-NH1 3.76Å; E335-R339 PolarHBondContact OE2-NH1 3.05Å; A336-R339 PolarHBondContact O-N 3.26Å; T337-R339 PolarHBondContact O-N 3.25Å; R339-Y341 PolarHBondContact O-N 3.41Å; R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.93Å; R339-L342 VanDerWaalsContact O-N 3.09Å
340L97.8Very high96.9Very high21 Ų2145.1 Ų45.111%0.1123%0.225CC..Hα-helixtrans-61.9-34.4173.9-59.5177.9000111.4A101 A336 T337 L338 L342 H343 L347 K350 L351A101-L340 HydrophobicContact CB-CD1 3.65Å; A336-L340 PolarHBondContact O-N 3.31Å; T337-L340 VanDerWaalsContact O-CB 3.29Å; T337-L340 WeakPolarHBondContact O-CB 3.1Å; T337-L340 PolarHBondContact O-N 2.94Å; L338-L340 VanDerWaalsContact C-N 3.29Å; L338-L340 PolarHBondContact O-N 3.31Å; L340-L342 PolarHBondContact O-N 2.83Å; L340-H343 CarbonylContact O-C 2.8Å; L340-H343 PolarHBondContact O-N 2.86Å; L340-L347 HydrophobicContact CB-CD1 3.84Å; L340-K350 HydrophobicContact CD1-CB 4.39Å; L340-K350 HydrophobicContact CD2-CB 4.16Å; L340-K350 HydrophobicContact CD2-CD 4.15Å; L340-L351 HydrophobicContact CD1-CD1 4.37Å
341Y97.4Very high96.9Very high22 Ų2244.4 Ų44.49%0.08622%0.22CC..THydrogen-bonded Turntrans-66.6-16.2176.2-75.6-88.2000113.8L264 V265 L296 L297 T337 L338 R339 H343 L347 L351L264-Y341 HydrophobicContact CB-CD1 3.84Å; L264-Y341 HydrophobicContact CB-CE1 3.57Å; L264-Y341 HydrophobicContact CD1-CD1 4.39Å; L264-Y341 HydrophobicContact CD1-CD2 4.25Å; L264-Y341 HydrophobicContact CD1-CE1 4.34Å; L264-Y341 HydrophobicContact CD1-CE2 4.18Å; L264-Y341 HydrophobicContact CD1-CG 4.35Å; L264-Y341 HydrophobicContact CG-CE1 4.44Å; V265-Y341 HydrophobicContact CG1-CD1 3.93Å; V265-Y341 HydrophobicContact CG1-CE1 3.85Å; V265-Y341 HydrophobicContact CG2-CE1 4.46Å; L296-Y341 PolarHBondContact O-OH 3.41Å; L297-Y341 VanDerWaalsContact C-OH 3.31Å; L297-Y341 VanDerWaalsContact CA-OH 3.32Å; L297-Y341 WeakPolarHBondContact CA-OH 3.4Å; L297-Y341 HydrophobicContact CG-CE2 4.32Å; L297-Y341 WeakPolarHBondContact O-CE2 3.4Å; L297-Y341 PolarHBondContact O-OH 2.92Å; T337-Y341 HydrophobicContact CG2-CE2 4.2Å; T337-Y341 WeakPolarHBondContact O-CD2 3.37Å; L338-Y341 WeakPolarHBondContact O-CB 3.44Å; L338-Y341 PolarHBondContact O-N 3.48Å; R339-Y341 PolarHBondContact O-N 3.41Å; Y341-H343 PolarHBondContact O-N 3.12Å; Y341-L347 HydrophobicContact CD1-CD1 4.33Å; Y341-L347 HydrophobicContact CD1-CD2 3.73Å; Y341-L347 HydrophobicContact CD2-CD1 4.41Å; Y341-L347 HydrophobicContact CE1-CD1 4.44Å; Y341-L347 HydrophobicContact CE1-CD2 3.73Å; Y341-L347 HydrophobicContact CG-CD1 4.31Å; Y341-L347 HydrophobicContact CG-CD2 4.46Å; Y341-L351 HydrophobicContact CE2-CD2 4.14Å; Y341-L351 WeakPolarHBondContact OH-CD2 3.47Å
342L96.1Very high96.9Very high56 Ų5644.5 Ų44.529%0.29322%0.222SC..THydrogen-bonded Turntrans-77.2-8.6171.4-57.8-179.2000113.1L137 I141 R339 L340 P344L137-L342 HydrophobicContact CD1-CD1 3.71Å; L137-L342 HydrophobicContact CD1-CD2 3.89Å; L137-L342 HydrophobicContact CD1-CG 3.96Å; I141-L342 HydrophobicContact CG1-CD2 4.19Å; R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.93Å; R339-L342 VanDerWaalsContact O-N 3.09Å; L340-L342 PolarHBondContact O-N 2.83Å; L342-P344 VanDerWaalsContact C-CD 3.45Å; L342-P344 WeakPolarHBondContact O-CD 3.43Å
343H95.6Very high96.9Very high100 Ų10044.1 Ų44.146%0.46322%0.218SC..  trans-123.864.9179.8-66-71.5000110.5L340 Y341 E345 A346 L347L340-H343 CarbonylContact O-C 2.8Å; L340-H343 PolarHBondContact O-N 2.86Å; Y341-H343 PolarHBondContact O-N 3.12Å; H343-E345 VanDerWaalsContact C-OE2 3.26Å; H343-E345 IonicContact CG-OE1 3.58Å; H343-E345 IonicContact ND1-OE1 3.58Å; H343-E345 PolarHBondContact ND1-OE1 2.98Å; H343-E345 PolarHBondContact O-N 3.17Å; H343-E345 VanDerWaalsContact O-N 3.1Å; H343-A346 PolarHBondContact O-N 2.95Å; H343-L347 PolarHBondContact O-N 3.23Å
344P94.1Very high96.8Very high76 Ų7644.2 Ų44.249%0.49422%0.218SC..Hα-helixtrans-55.6-30.7-173.923.8-34.9000113.4L342 A346 L347L342-P344 VanDerWaalsContact C-CD 3.45Å; L342-P344 WeakPolarHBondContact O-CD 3.43Å; P344-A346 PolarHBondContact O-N 2.97Å; P344-L347 WeakPolarHBondContact O-CB 3.45Å; P344-L347 PolarHBondContact O-N 3.22Å
345E94.2Very high96.7Very high143 Ų14348.4 Ų48.467%0.66823%0.234SC*.Hα-helixtrans-61.5-27.3177.967.5-76.417700114.3H343H343-E345 VanDerWaalsContact C-OE2 3.26Å; H343-E345 IonicContact CG-OE1 3.58Å; H343-E345 IonicContact ND1-OE1 3.58Å; H343-E345 PolarHBondContact ND1-OE1 2.98Å; H343-E345 PolarHBondContact O-N 3.17Å; H343-E345 VanDerWaalsContact O-N 3.1Å
346A95.9Very high96.7Very high16 Ų1646.5 Ų46.513%0.13223%0.225CC..Hα-helixtrans-109.8-1.1-179.600000112.7H343 P344 S348 E349 K350H343-A346 PolarHBondContact O-N 2.95Å; P344-A346 PolarHBondContact O-N 2.97Å; A346-S348 PolarHBondContact O-N 2.97Å; A346-E349 PolarHBondContact O-N 3.23Å; A346-E349 VanDerWaalsContact O-N 3.15Å; A346-K350 HydrophobicContact CB-CD 4.02Å; A346-K350 HydrophobicContact CB-CG 4.38Å; A346-K350 WeakPolarHBondContact O-CB 3.23Å; A346-K350 WeakPolarHBondContact O-CG 3.47Å; A346-K350 PolarHBondContact O-N 3.21Å
347L96.7Very high96.5Very high1 Ų146.2 Ų46.21%0.00522%0.222CC..Hα-helixtrans-64.2-43.9-168.9-173.267.1000112.2V265 L340 Y341 H343 P344 E349 K350 L351 L354V265-L347 HydrophobicContact CG1-CD2 3.73Å; L340-L347 HydrophobicContact CB-CD1 3.84Å; Y341-L347 HydrophobicContact CD1-CD1 4.33Å; Y341-L347 HydrophobicContact CD1-CD2 3.73Å; Y341-L347 HydrophobicContact CD2-CD1 4.41Å; Y341-L347 HydrophobicContact CE1-CD1 4.44Å; Y341-L347 HydrophobicContact CE1-CD2 3.73Å; Y341-L347 HydrophobicContact CG-CD1 4.31Å; Y341-L347 HydrophobicContact CG-CD2 4.46Å; H343-L347 PolarHBondContact O-N 3.23Å; P344-L347 WeakPolarHBondContact O-CB 3.45Å; P344-L347 PolarHBondContact O-N 3.22Å; L347-E349 PolarHBondContact O-N 2.83Å; L347-K350 PolarHBondContact O-N 2.76Å; L347-L351 HydrophobicContact CD1-CB 3.95Å; L347-L351 HydrophobicContact CD1-CD2 4.04Å; L347-L351 HydrophobicContact CG-CB 4.37Å; L347-L351 HydrophobicContact CG-CD2 4.4Å; L347-L351 VanDerWaalsContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 PolarHBondContact O-N 2.73Å; L347-L354 HydrophobicContact CB-CD2 4.24Å; L347-L354 HydrophobicContact CD2-CD2 3.79Å; L347-L354 HydrophobicContact CG-CD2 3.73Å
348S95Very high96.4Very high41 Ų4148.3 Ų48.329%0.28724%0.235SC..Hα-helixtrans-69.1-12.8179.157.70000113.8A346 R355A346-S348 PolarHBondContact O-N 2.97Å; S348-R355 WeakPolarHBondContact O-CA 3.39Å; S348-R355 WeakPolarHBondContact O-CB 3.39Å; S348-R355 WeakPolarHBondContact O-CG 3.25Å
349E95.6Very high96.2Very high133 Ų13350.6 Ų50.662%0.62124%0.243SC*.Hα-helixtrans-94-42.1173.8-173-169.5153.200111.1A346 L347 R355A346-E349 PolarHBondContact O-N 3.23Å; A346-E349 VanDerWaalsContact O-N 3.15Å; L347-E349 PolarHBondContact O-N 2.83Å; E349-R355 WeakPolarHBondContact O-CD 3.15Å; E349-R355 PolarHBondContact O-NH1 3.07Å
350K97.3Very high96.1Very high111 Ų11147 Ų4748%0.48324%0.238SC..Hα-helixtrans-90.1-27.4-170.5-67-175.3178.4179.90114.5A101 L340 A346 L347 P352A101-K350 WeakPolarHBondContact CB-O 2.99Å; L340-K350 HydrophobicContact CD1-CB 4.39Å; L340-K350 HydrophobicContact CD2-CB 4.16Å; L340-K350 HydrophobicContact CD2-CD 4.15Å; A346-K350 HydrophobicContact CB-CD 4.02Å; A346-K350 HydrophobicContact CB-CG 4.38Å; A346-K350 WeakPolarHBondContact O-CB 3.23Å; A346-K350 WeakPolarHBondContact O-CG 3.47Å; A346-K350 PolarHBondContact O-N 3.21Å; L347-K350 PolarHBondContact O-N 2.76Å; K350-P352 WeakPolarHBondContact O-CD 3.34Å
351L98Very high96Very high1 Ų147.9 Ų47.91%0.00525%0.248CC..  trans-93.4110.4179-173.567.2000109.6G298 T337 L340 Y341 L347 T353 L354 R355G298-L351 WeakPolarHBondContact O-CD1 3.41Å; T337-L351 HydrophobicContact CG2-CD1 3.96Å; L340-L351 HydrophobicContact CD1-CD1 4.37Å; Y341-L351 HydrophobicContact CE2-CD2 4.14Å; Y341-L351 WeakPolarHBondContact OH-CD2 3.47Å; L347-L351 HydrophobicContact CD1-CB 3.95Å; L347-L351 HydrophobicContact CD1-CD2 4.04Å; L347-L351 HydrophobicContact CG-CB 4.37Å; L347-L351 HydrophobicContact CG-CD2 4.4Å; L347-L351 VanDerWaalsContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 PolarHBondContact O-N 2.73Å; L351-T353 VanDerWaalsContact C-N 3.29Å; L351-T353 PolarHBondContact O-N 3.35Å; L351-L354 HydrophobicContact CB-CB 4.32Å; L351-L354 HydrophobicContact CD2-CB 4.1Å; L351-L354 HydrophobicContact CG-CB 4.45Å; L351-L354 PolarHBondContact O-N 2.89Å; L351-L354 VanDerWaalsContact O-N 3.13Å; L351-R355 WeakPolarHBondContact O-CB 3.36Å; L351-R355 PolarHBondContact O-N 3.26Å
352P97.7Very high96Very high9 Ų954 Ų546%0.05828%0.277CS..Hα-helixtrans-55.7-41.7-173.6-28.335.9000113.5L99 K350 L354 R355 L356L99-P352 HydrophobicContact CB-CB 3.94Å; L99-P352 HydrophobicContact CB-CG 4.4Å; K350-P352 WeakPolarHBondContact O-CD 3.34Å; P352-L354 PolarHBondContact O-N 2.8Å; P352-R355 PolarHBondContact O-N 3.4Å; P352-L356 WeakPolarHBondContact O-CB 3.46Å; P352-L356 VanDerWaalsContact O-CG 3.23Å; P352-L356 WeakPolarHBondContact O-CG 3.49Å; P352-L356 PolarHBondContact O-N 3.43Å
353T96.3Very high96.1Very high5 Ų554.9 Ų54.93%0.03129%0.285CS..Hα-helixtrans-57.8-50.9178.8-64.10000111.4L91 G298 L351 L357L91-T353 HydrophobicContact CD1-CG2 4.3Å; L91-T353 HydrophobicContact CD2-CG2 3.79Å; L91-T353 HydrophobicContact CG-CG2 4.24Å; G298-T353 WeakPolarHBondContact CA-OG1 3.23Å; L351-T353 VanDerWaalsContact C-N 3.29Å; L351-T353 PolarHBondContact O-N 3.35Å; T353-L357 HydrophobicContact CG2-CD1 3.89Å; T353-L357 WeakPolarHBondContact O-CB 3.35Å; T353-L357 WeakPolarHBondContact O-CG 3.49Å; T353-L357 PolarHBondContact O-N 2.92Å; T353-L357 VanDerWaalsContact O-N 3.1Å
354L95.9Very high96.2Very high7 Ų750.1 Ų50.14%0.03726%0.263CS..Hα-helixtrans-68.5-42.6-179.7-172.262.1000111.1L267 Y270 L347 L351 P352 L356 L357 T358L267-L354 HydrophobicContact CD2-CD1 4.23Å; Y270-L354 HydrophobicContact CD2-CD1 4.07Å; Y270-L354 HydrophobicContact CE2-CD1 4.01Å; Y270-L354 HydrophobicContact CE2-CD2 4.06Å; L347-L354 HydrophobicContact CB-CD2 4.24Å; L347-L354 HydrophobicContact CD2-CD2 3.79Å; L347-L354 HydrophobicContact CG-CD2 3.73Å; L351-L354 HydrophobicContact CB-CB 4.32Å; L351-L354 HydrophobicContact CD2-CB 4.1Å; L351-L354 HydrophobicContact CG-CB 4.45Å; L351-L354 PolarHBondContact O-N 2.89Å; L351-L354 VanDerWaalsContact O-N 3.13Å; P352-L354 PolarHBondContact O-N 2.8Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.29Å; L354-L357 PolarHBondContact O-N 3.25Å; L354-T358 HydrophobicContact CD1-CG2 3.75Å; L354-T358 HydrophobicContact CG-CG2 4.15Å; L354-T358 WeakPolarHBondContact O-CG2 3.4Å; L354-T358 PolarHBondContact O-N 2.95Å; L354-T358 PolarHBondContact O-OG1 2.89Å
355R96.9Very high96.4Very high88 Ų8849.3 Ų49.333%0.33225%0.252SS..Hα-helixtrans-54-46.9176.5-175170.266.8-153.25.1112.7S348 E349 L351 P352 R359 E452S348-R355 WeakPolarHBondContact O-CA 3.39Å; S348-R355 WeakPolarHBondContact O-CB 3.39Å; S348-R355 WeakPolarHBondContact O-CG 3.25Å; E349-R355 WeakPolarHBondContact O-CD 3.15Å; E349-R355 PolarHBondContact O-NH1 3.07Å; L351-R355 WeakPolarHBondContact O-CB 3.36Å; L351-R355 PolarHBondContact O-N 3.26Å; P352-R355 PolarHBondContact O-N 3.4Å; R355-R359 PolarHBondContact O-N 3.43Å; R355-E452 IonicContact CZ-OE1 3.11Å; R355-E452 IonicContact NE-OE1 2.7Å; R355-E452 PolarHBondContact NE-OE1 3.47Å; R355-E452 VanDerWaalsContact NH2-CD 3.28Å; R355-E452 IonicContact NH2-OE1 2.92Å; R355-E452 PolarHBondContact NH2-OE1 3.18Å; R355-E452 IonicContact NH2-OE2 3.85Å; R355-E452 PolarHBondContact NH2-OE2 2.88Å
356L97Very high96.6Very high8 Ų847.1 Ų47.14%0.04224%0.244CC..Hα-helixtrans-69.4-41.2-179.9-67.4179.4000111.4V90 L99 P352 L354 T358 R449 C450 E452V90-L356 HydrophobicContact CG1-CB 3.85Å; V90-L356 HydrophobicContact CG1-CD1 4.19Å; V90-L356 HydrophobicContact CG2-CB 4.4Å; L99-L356 HydrophobicContact CD1-CD1 4.48Å; P352-L356 WeakPolarHBondContact O-CB 3.46Å; P352-L356 VanDerWaalsContact O-CG 3.23Å; P352-L356 WeakPolarHBondContact O-CG 3.49Å; P352-L356 PolarHBondContact O-N 3.43Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.29Å; L356-T358 PolarHBondContact O-N 3.06Å; L356-R449 WeakPolarHBondContact O-CD 3.49Å; L356-C450 HydrophobicContact CD1-CB 4.47Å; L356-E452 HydrophobicContact CD2-CG 4.04Å
357L95.3Very high96.7Very high6 Ų646.7 Ų46.73%0.03124%0.24CC..Hα-helixtrans-65.7-35.8179.2-70.4171000113V90 L272 L296 T353 L354 I394 L404V90-L357 HydrophobicContact CB-CD2 4.01Å; V90-L357 HydrophobicContact CG1-CD2 4.25Å; V90-L357 HydrophobicContact CG1-CG 4.24Å; V90-L357 HydrophobicContact CG2-CD2 3.83Å; V90-L357 HydrophobicContact CG2-CG 4.48Å; L272-L357 HydrophobicContact CD1-CB 3.95Å; L296-L357 HydrophobicContact CD2-CD1 4.06Å; T353-L357 HydrophobicContact CG2-CD1 3.89Å; T353-L357 WeakPolarHBondContact O-CB 3.35Å; T353-L357 WeakPolarHBondContact O-CG 3.49Å; T353-L357 PolarHBondContact O-N 2.92Å; T353-L357 VanDerWaalsContact O-N 3.1Å; L354-L357 PolarHBondContact O-N 3.25Å; L357-I394 HydrophobicContact CD1-CG2 4.32Å; L357-I394 HydrophobicContact CD2-CB 4.08Å; L357-I394 HydrophobicContact CD2-CD1 4.24Å; L357-I394 HydrophobicContact CD2-CG1 3.81Å; L357-I394 HydrophobicContact CD2-CG2 3.86Å; L357-L404 HydrophobicContact CD2-CD1 3.75Å
358T94.9Very high96.8Very high44 Ų4446.7 Ų46.727%0.2724%0.239SC..Hα-helixtrans-93.7-0.3-175.862.20000114.1Y270 L272 L354 L356 S360Y270-T358 HydrophobicContact CD1-CG2 3.8Å; Y270-T358 HydrophobicContact CD2-CG2 4.34Å; Y270-T358 HydrophobicContact CG-CG2 3.66Å; L272-T358 HydrophobicContact CD1-CG2 4.03Å; L354-T358 HydrophobicContact CD1-CG2 3.75Å; L354-T358 HydrophobicContact CG-CG2 4.15Å; L354-T358 WeakPolarHBondContact O-CG2 3.4Å; L354-T358 PolarHBondContact O-N 2.95Å; L354-T358 PolarHBondContact O-OG1 2.89Å; L356-T358 PolarHBondContact O-N 3.06Å; T358-S360 PolarHBondContact O-N 3.41Å
359R95.7Very high96.9Very high48 Ų4849.7 Ų49.718%0.18125%0.249CC..  trans-58128.1176.9-166.3176.7176.9-159.2-3.8110.7R355 V363 I364 L448 R449 L451R355-R359 PolarHBondContact O-N 3.43Å; R359-V363 HydrophobicContact CG-CG1 4.5Å; R359-I364 HydrophobicContact CB-CD1 4.28Å; R359-I364 HydrophobicContact CG-CD1 4.04Å; R359-I364 HydrophobicContact CG-CG1 3.89Å; R359-L448 PolarHBondContact NH1-O 3.39Å; R359-R449 PolarHBondContact NH1-O 2.97Å; R359-R449 PolarHBondContact O-NH1 3.37Å; R359-L451 PolarHBondContact NH1-O 3.18Å; R359-L451 VanDerWaalsContact NH1-O 3.1Å
360S95Very high97Very high52 Ų5250.4 Ų50.436%0.36425%0.246SC..  trans-71.6147.1-176.876.30000112.3T358 E362 V363 I364T358-S360 PolarHBondContact O-N 3.41Å; S360-E362 PolarHBondContact O-N 2.83Å; S360-V363 PolarHBondContact O-N 3.06Å; S360-V363 VanDerWaalsContact OG-CG2 3.28Å; S360-V363 WeakPolarHBondContact OG-CG2 3.39Å; S360-V363 PolarHBondContact OG-N 2.86Å; S360-I364 WeakPolarHBondContact O-CG1 3.44Å; S360-I364 PolarHBondContact O-N 3.19Å
361A95.9Very high97Very high39 Ų3945.2 Ų45.232%0.32222%0.224SC..Hα-helixtrans-58.5-36.3176.500000112.1I364 Q365 P405A361-I364 PolarHBondContact O-N 3.2Å; A361-Q365 WeakPolarHBondContact O-CB 3.49Å; A361-Q365 PolarHBondContact O-N 3.17Å; A361-P405 HydrophobicContact CB-CB 4.04Å; A361-P405 VanDerWaalsContact CB-O 3.31Å; A361-P405 WeakPolarHBondContact CB-O 3.35Å
362E97.4Very high97Very high149 Ų14948.1 Ų48.170%0.69624%0.237SC*.Hα-helixtrans-62.3-46178.8-66.1168.6178.900111.9S360 I364 Q365 I366S360-E362 PolarHBondContact O-N 2.83Å; E362-I364 VanDerWaalsContact C-N 3.29Å; E362-I364 PolarHBondContact O-N 3.39Å; E362-Q365 PolarHBondContact O-N 3Å; E362-I366 VanDerWaalsContact O-CG1 3.32Å; E362-I366 WeakPolarHBondContact O-CG1 3.36Å; E362-I366 PolarHBondContact O-N 3.08Å
363V97.1Very high96.9Very high75 Ų7551 Ų5146%0.45526%0.261SS..Hα-helixtrans-62.7-39.6177.4168.20000110.9R359 S360 Q367R359-V363 HydrophobicContact CG-CG1 4.5Å; S360-V363 PolarHBondContact O-N 3.06Å; S360-V363 VanDerWaalsContact OG-CG2 3.28Å; S360-V363 WeakPolarHBondContact OG-CG2 3.39Å; S360-V363 PolarHBondContact OG-N 2.86Å; V363-Q367 PolarHBondContact O-N 2.97Å; V363-Q367 VanDerWaalsContact O-N 3.1Å
364I98.3Very high97Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-69.4-40.9178.8-60.2164000110.6R359 S360 A361 E362 Q367 A368 A407 L448 R449R359-I364 HydrophobicContact CB-CD1 4.28Å; R359-I364 HydrophobicContact CG-CD1 4.04Å; R359-I364 HydrophobicContact CG-CG1 3.89Å; S360-I364 WeakPolarHBondContact O-CG1 3.44Å; S360-I364 PolarHBondContact O-N 3.19Å; A361-I364 PolarHBondContact O-N 3.2Å; E362-I364 VanDerWaalsContact C-N 3.29Å; E362-I364 PolarHBondContact O-N 3.39Å; I364-Q367 PolarHBondContact O-N 3.07Å; I364-A368 WeakPolarHBondContact O-CB 3.09Å; I364-A368 PolarHBondContact O-N 3.28Å; I364-A407 HydrophobicContact CG2-CB 4.06Å; I364-A407 WeakPolarHBondContact CG2-O 3.34Å; I364-L448 HydrophobicContact CG2-CB 3.76Å; I364-R449 VanDerWaalsContact CD1-CZ 3.47Å
365Q98.2Very high97.1Very high59 Ų5952.6 Ų52.628%0.27627%0.272SS..Hα-helixtrans-60.5-44.8175.8-179.867.825.100111.9A361 E362 A368 Q369 A407A361-Q365 WeakPolarHBondContact O-CB 3.49Å; A361-Q365 PolarHBondContact O-N 3.17Å; E362-Q365 PolarHBondContact O-N 3Å; Q365-A368 PolarHBondContact O-N 3.01Å; Q365-Q369 WeakPolarHBondContact O-CG 3.44Å; Q365-Q369 PolarHBondContact O-N 2.79Å; Q365-A407 HydrophobicContact CB-CB 4.13Å
366I98Very high97.1Very high98 Ų9850.1 Ų50.150%0.50327%0.271SS..Hα-helixtrans-62-44.4176.8-68.9166.1000110.6E362 A368 Q369 R370E362-I366 VanDerWaalsContact O-CG1 3.32Å; E362-I366 WeakPolarHBondContact O-CG1 3.36Å; E362-I366 PolarHBondContact O-N 3.08Å; I366-A368 VanDerWaalsContact C-N 3.35Å; I366-A368 PolarHBondContact O-N 2.78Å; I366-Q369 PolarHBondContact O-N 2.97Å; I366-R370 PolarHBondContact O-N 3.29Å; I366-R370 VanDerWaalsContact O-N 3.07Å
367Q98.3Very high97.1Very high7 Ų754 Ų543%0.03330%0.304CS..Hα-helixtrans-59.4-45.2174.2168.5173.976.700111.3V363 I364 Q369 R370 L371 L448 L451 E454V363-Q367 PolarHBondContact O-N 2.97Å; V363-Q367 VanDerWaalsContact O-N 3.1Å; I364-Q367 PolarHBondContact O-N 3.07Å; Q367-Q369 VanDerWaalsContact C-N 3.35Å; Q367-Q369 PolarHBondContact O-N 3.44Å; Q367-R370 PolarHBondContact O-N 3.01Å; Q367-L371 HydrophobicContact CG-CD1 3.71Å; Q367-L371 HydrophobicContact CG-CG 4.44Å; Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.2Å; Q367-L371 PolarHBondContact O-N 2.82Å; Q367-L371 VanDerWaalsContact O-N 3.07Å; Q367-L448 HydrophobicContact CG-CD1 4.08Å; Q367-L448 PolarHBondContact OE1-O 3.18Å; Q367-L451 PolarHBondContact NE2-O 3.21Å; Q367-L451 PolarHBondContact OE1-O 3.04Å; Q367-E454 HydrophobicContact CG-CG 4.35Å; Q367-E454 WeakPolarHBondContact CG-OE1 3.38Å; Q367-E454 PolarHBondContact NE2-OE1 2.86Å
368A98.4Very high97.2Very high0 Ų058.1 Ų58.10%032%0.323CS..Hα-helixtrans-60.6-43.3179.300000112.2I364 Q365 I366 L371 Q372 V387 A407 L448I364-A368 WeakPolarHBondContact O-CB 3.09Å; I364-A368 PolarHBondContact O-N 3.28Å; Q365-A368 PolarHBondContact O-N 3.01Å; I366-A368 VanDerWaalsContact C-N 3.35Å; I366-A368 PolarHBondContact O-N 2.78Å; A368-L371 PolarHBondContact O-N 2.87Å; A368-Q372 PolarHBondContact O-N 3.12Å; A368-V387 HydrophobicContact CB-CB 4.36Å; A368-V387 HydrophobicContact CB-CG1 3.56Å; A368-V387 HydrophobicContact CB-CG2 3.87Å; A368-A407 HydrophobicContact CB-CB 4.18Å; A368-L448 VanDerWaalsContact CA-CD1 3.45Å; A368-L448 HydrophobicContact CB-CD1 3.6Å
369Q97.5Very high97.3Very high104 Ų10456.4 Ų56.449%0.48631%0.311SS..Hα-helixtrans-63.1-42.6177.4-72.7170.4-20.800112.1Q365 I366 Q367 L371 Q372 V387Q365-Q369 WeakPolarHBondContact O-CG 3.44Å; Q365-Q369 PolarHBondContact O-N 2.79Å; I366-Q369 PolarHBondContact O-N 2.97Å; Q367-Q369 VanDerWaalsContact C-N 3.35Å; Q367-Q369 PolarHBondContact O-N 3.44Å; Q369-L371 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 3.15Å; Q369-Q372 PolarHBondContact O-N 2.98Å; Q369-V387 HydrophobicContact CG-CG2 4.4Å
370R97.2Very high97.4Very high149 Ų14955.6 Ų55.656%0.56232%0.318SS*.Hα-helixtrans-61.3-40.4176.7177167.554.6-146.8-9.4112I366 Q367 E454I366-R370 PolarHBondContact O-N 3.29Å; I366-R370 VanDerWaalsContact O-N 3.07Å; Q367-R370 PolarHBondContact O-N 3.01Å; R370-E454 IonicContact CZ-OE1 2.69Å; R370-E454 IonicContact CZ-OE2 3.4Å; R370-E454 IonicContact NE-OE1 3.5Å; R370-E454 IonicContact NE-OE2 2.83Å; R370-E454 PolarHBondContact NE-OE2 2.92Å; R370-E454 IonicContact NH2-OE1 3.21Å; R370-E454 PolarHBondContact NH2-OE1 3.17Å; R370-E454 IonicContact NH2-OE2 3.4Å; R370-E454 PolarHBondContact NH2-OE2 3.17Å
371L98.2Very high97.4Very high2 Ų257.8 Ų57.81%0.0134%0.339CS..Hα-helixtrans-81.1-19.4-178.4-64.4171.4000113.6Q367 A368 Q369 P374 L375 L409 L448 L451 E454 F457 L458Q367-L371 HydrophobicContact CG-CD1 3.71Å; Q367-L371 HydrophobicContact CG-CG 4.44Å; Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.2Å; Q367-L371 PolarHBondContact O-N 2.82Å; Q367-L371 VanDerWaalsContact O-N 3.07Å; A368-L371 PolarHBondContact O-N 2.87Å; Q369-L371 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 3.15Å; L371-P374 WeakPolarHBondContact O-CD 3.39Å; L371-P374 WeakPolarHBondContact O-CG 3.5Å; L371-L375 WeakPolarHBondContact O-CD1 3.35Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.35Å; L371-L409 HydrophobicContact CB-CD1 3.85Å; L371-L409 HydrophobicContact CD1-CD1 4.49Å; L371-L448 HydrophobicContact CD1-CD1 3.99Å; L371-L451 HydrophobicContact CD1-CD2 3.51Å; L371-E454 HydrophobicContact CD1-CG 4.25Å; L371-E454 HydrophobicContact CD2-CB 4.17Å; L371-E454 HydrophobicContact CD2-CG 4.19Å; L371-F457 HydrophobicContact CD1-CD1 4.02Å; L371-F457 HydrophobicContact CD1-CE1 3.95Å; L371-F457 HydrophobicContact CD2-CD1 4.24Å; L371-L458 HydrophobicContact CD2-CD1 3.89Å; L371-L458 HydrophobicContact CD2-CD2 3.85Å; L371-L458 HydrophobicContact CD2-CG 3.85Å
372Q98.2Very high97.5Very high62 Ų6260.7 Ų60.729%0.2935%0.346SS..Hα-helixtrans-61.4-47.3-177.4-172.3-172.79.600112.4A368 Q369 L375 A376 V385 V387 L409A368-Q372 PolarHBondContact O-N 3.12Å; Q369-Q372 PolarHBondContact O-N 2.98Å; Q372-L375 PolarHBondContact O-N 3.1Å; Q372-A376 VanDerWaalsContact O-CB 3.26Å; Q372-A376 WeakPolarHBondContact O-CB 3.48Å; Q372-A376 PolarHBondContact O-N 3.46Å; Q372-V385 HydrophobicContact CG-CG1 4.39Å; Q372-V385 PolarHBondContact NE2-O 3.29Å; Q372-V387 HydrophobicContact CB-CG2 3.98Å; Q372-V387 HydrophobicContact CG-CG2 4.23Å; Q372-L409 HydrophobicContact CB-CD2 3.99Å; Q372-L409 HydrophobicContact CG-CD2 4.35Å
373A95.7Very high97.5Very high69 Ų6953.7 Ų53.757%0.5731%0.313SS*.Hα-helixtrans-57.4-53.6-174.200000113.8L375 A376 A377A373-L375 VanDerWaalsContact C-N 3.33Å; A373-L375 PolarHBondContact O-N 3.23Å; A373-A376 PolarHBondContact O-N 2.82Å; A373-A377 PolarHBondContact O-N 3.01Å
374P97.2Very high97.5Very high46 Ų4651.5 Ų51.530%0.29930%0.303SS..Hα-helixtrans-64.8-35.4178.724.3-34.1000112.9L371 A377 H378 L458 L462L371-P374 WeakPolarHBondContact O-CD 3.39Å; L371-P374 WeakPolarHBondContact O-CG 3.5Å; P374-A377 PolarHBondContact O-N 3.37Å; P374-H378 PolarHBondContact O-N 3.46Å; P374-H378 VanDerWaalsContact O-N 3.17Å; P374-L458 HydrophobicContact CG-CD2 4Å; P374-L462 HydrophobicContact CB-CD1 4.16Å
375L98Very high97.5Very high0 Ų052.1 Ų52.10%031%0.307CS..Hα-helixtrans-71.2-39.5178.2-67.2172.8000112.4L371 Q372 A373 A377 H378 Y379 V385 L409 F411 F457 L458 L461 L462L371-L375 WeakPolarHBondContact O-CD1 3.35Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.35Å; Q372-L375 PolarHBondContact O-N 3.1Å; A373-L375 VanDerWaalsContact C-N 3.33Å; A373-L375 PolarHBondContact O-N 3.23Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 3.36Å; L375-H378 PolarHBondContact O-N 2.82Å; L375-Y379 HydrophobicContact CD2-CD2 4.28Å; L375-Y379 HydrophobicContact CD2-CE2 4.04Å; L375-Y379 WeakPolarHBondContact O-CB 3.32Å; L375-Y379 WeakPolarHBondContact O-CD2 3.34Å; L375-Y379 PolarHBondContact O-N 2.93Å; L375-V385 HydrophobicContact CB-CG1 4.22Å; L375-L409 HydrophobicContact CD1-CD1 3.47Å; L375-L409 VanDerWaalsContact CD1-CD1 3.47Å; L375-F411 HydrophobicContact CD1-CZ 4.33Å; L375-F457 HydrophobicContact CD1-CE1 3.92Å; L375-F457 HydrophobicContact CD1-CZ 4.09Å; L375-L458 HydrophobicContact CD2-CD2 4.48Å; L375-L458 HydrophobicContact CG-CD2 4.47Å; L375-L461 HydrophobicContact CD1-CD1 4.5Å; L375-L461 HydrophobicContact CD2-CB 3.83Å; L375-L461 HydrophobicContact CD2-CD1 3.75Å; L375-L461 HydrophobicContact CD2-CG 4.47Å; L375-L462 HydrophobicContact CD2-CD2 4.1Å
376A97.6Very high97.5Very high36 Ų3653.7 Ų53.730%0.29831%0.314SS..Hα-helixtrans-64.1-36.417400000111.4Q372 A373 H378 G380 V385Q372-A376 VanDerWaalsContact O-CB 3.26Å; Q372-A376 WeakPolarHBondContact O-CB 3.48Å; Q372-A376 PolarHBondContact O-N 3.46Å; A373-A376 PolarHBondContact O-N 2.82Å; A376-H378 VanDerWaalsContact C-N 3.34Å; A376-G380 WeakPolarHBondContact O-CA 3.28Å; A376-G380 PolarHBondContact O-N 3.37Å; A376-V385 HydrophobicContact CB-CB 4.13Å
377A97.2Very high97.6Very high89 Ų8950.4 Ų50.474%0.73630%0.299SS*.Hα-helixtrans-64.7-37.617500000112.5A373 P374 L375A373-A377 PolarHBondContact O-N 3.01Å; P374-A377 PolarHBondContact O-N 3.37Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 3.36Å
378H97.4Very high97.6Very high93 Ų9352.1 Ų52.143%0.43131%0.307SS..Hα-helixtrans-81.8-45.1-178.7-171.595.4000113.2P374 L375 A376 L462P374-H378 PolarHBondContact O-N 3.46Å; P374-H378 VanDerWaalsContact O-N 3.17Å; L375-H378 PolarHBondContact O-N 2.82Å; A376-H378 VanDerWaalsContact C-N 3.34Å; H378-L462 HydrophobicContact CB-CD2 3.54Å
379Y97.5Very high97.5Very high8 Ų857.2 Ų57.23%0.03134%0.34CS..Hα-helixtrans-100.3-6.5-173.2-67.1-79.5000114.2L375 A381 E382 F383 F411 L424 W428 L461L375-Y379 HydrophobicContact CD2-CD2 4.28Å; L375-Y379 HydrophobicContact CD2-CE2 4.04Å; L375-Y379 WeakPolarHBondContact O-CB 3.32Å; L375-Y379 WeakPolarHBondContact O-CD2 3.34Å; L375-Y379 PolarHBondContact O-N 2.93Å; Y379-A381 PolarHBondContact O-N 3.04Å; Y379-A381 VanDerWaalsContact O-N 3.07Å; Y379-E382 PolarHBondContact O-N 3.24Å; Y379-F383 HydrophobicContact CD1-CD2 4.39Å; Y379-F383 PolarHBondContact O-N 2.81Å; Y379-F411 AromaticContact CD2-CE1 3.77Å; Y379-F411 HydrophobicContact CD2-CE1 3.77Å; Y379-F411 HydrophobicContact CE2-CE1 4.41Å; Y379-F411 HydrophobicContact CG-CD1 4.4Å; Y379-F411 AromaticContact CG-CE1 3.85Å; Y379-F411 HydrophobicContact CG-CE1 3.85Å; Y379-L424 HydrophobicContact CD1-CD1 4.21Å; Y379-L424 HydrophobicContact CE1-CD1 3.69Å; Y379-W428 HydrophobicContact CE1-CZ2 4.24Å; Y379-W428 HydrophobicContact CE2-CZ2 4.29Å; Y379-W428 AromaticContact CZ-CZ2 3.9Å; Y379-W428 AromaticContact CZ-NE1 3.88Å; Y379-W428 PolarHBondContact OH-NE1 3.04Å; Y379-W428 VanDerWaalsContact OH-NE1 3.12Å; Y379-L461 HydrophobicContact CE2-CB 4.4Å; Y379-L461 WeakPolarHBondContact CE2-O 3.29Å; Y379-L461 PolarHBondContact OH-O 3.08Å
380G96.5Very high97.4Very high31 Ų3153 Ų5332%0.3232%0.322SS..THydrogen-bonded Turntrans-60.9-21.5-169.600000115.7A376 E382 F383 H414A376-G380 WeakPolarHBondContact O-CA 3.28Å; A376-G380 PolarHBondContact O-N 3.37Å; G380-E382 VanDerWaalsContact C-N 3.35Å; G380-F383 WeakPolarHBondContact CA-O 3.34Å; G380-H414 PolarHBondContact O-NE2 2.81Å
381A96.2Very high97.3Very high97 Ų9749.6 Ų49.680%0.80232%0.315SS*.THydrogen-bonded Turntrans-69.6-31.6176.100000112.8Y379 H414Y379-A381 PolarHBondContact O-N 3.04Å; Y379-A381 VanDerWaalsContact O-N 3.07Å; A381-H414 PolarHBondContact O-CD2 3.39Å
382E96.6Very high97.1Very high100 Ų10049.5 Ų49.547%0.46731%0.314SS..THydrogen-bonded Turntrans-107.7-30.4-176.5-66.4179.7-90.300112.3Y379 G380 H414Y379-E382 PolarHBondContact O-N 3.24Å; G380-E382 VanDerWaalsContact C-N 3.35Å; E382-H414 PolarHBondContact O-CD2 3.02Å; E382-H414 PolarHBondContact O-N 3.4Å
383F98.1Very high96.8Very high2 Ų249.3 Ų49.31%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-131.9140.1-172-54.8-86000112.6Y379 G380 V385 F411 T412 P413 H414 H420 L421 L424Y379-F383 HydrophobicContact CD1-CD2 4.39Å; Y379-F383 PolarHBondContact O-N 2.81Å; G380-F383 WeakPolarHBondContact CA-O 3.34Å; F383-V385 PolarHBondContact O-N 3.3Å; F383-F411 HydrophobicContact CB-CB 4.24Å; F383-F411 HydrophobicContact CB-CD1 4.19Å; F383-F411 HydrophobicContact CD1-CB 4.18Å; F383-F411 HydrophobicContact CG-CB 4.29Å; F383-F411 HydrophobicContact CG-CD1 4.39Å; F383-T412 CarbonylContact C-O 3.56Å; F383-T412 WeakPolarHBondContact CA-O 3.18Å; F383-P413 HydrophobicContact CD1-CB 4.04Å; F383-P413 HydrophobicContact CE1-CB 3.95Å; F383-H414 VanDerWaalsContact C-CE1 3.47Å; F383-H414 VanDerWaalsContact C-NE2 3.34Å; F383-H414 PolarHBondContact O-NE2 2.9Å; F383-H420 HydrophobicContact CE1-CB 4.31Å; F383-H420 HydrophobicContact CZ-CB 4.31Å; F383-L421 HydrophobicContact CD1-CD2 4.24Å; F383-L421 HydrophobicContact CE1-CD2 3.95Å; F383-L424 HydrophobicContact CD2-CD2 4.4Å; F383-L424 HydrophobicContact CE1-CD2 4.16Å; F383-L424 HydrophobicContact CE2-CD2 4.03Å; F383-L424 HydrophobicContact CZ-CB 4.17Å; F383-L424 HydrophobicContact CZ-CD2 3.9Å
384A98Very high96.6Very high30 Ų3046.1 Ų46.125%0.24829%0.287CS..EExtended strand (participates in β ladder)trans-75.8113.4160.100000108.9T412 H414A384-T412 PolarHBondContact N-O 3.46Å; A384-T412 PolarHBondContact O-N 3.38Å; A384-H414 PolarHBondContact N-CE1 2.88Å
385V98.4Very high96.1Very high12 Ų1244.3 Ų44.37%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-96.6114.2178.8-175.60000110.3Q372 L375 A376 F383 L409 T410 F411Q372-V385 HydrophobicContact CG-CG1 4.39Å; Q372-V385 PolarHBondContact NE2-O 3.29Å; L375-V385 HydrophobicContact CB-CG1 4.22Å; A376-V385 HydrophobicContact CB-CB 4.13Å; F383-V385 PolarHBondContact O-N 3.3Å; V385-L409 HydrophobicContact CG1-CD2 4.35Å; V385-T410 VanDerWaalsContact CA-O 3.3Å; V385-T410 WeakPolarHBondContact CA-O 3.38Å; V385-F411 HydrophobicContact CG1-CE1 4.36Å; V385-F411 HydrophobicContact CG1-CZ 4.3Å; V385-F411 HydrophobicContact CG2-CD1 3.77Å; V385-F411 HydrophobicContact CG2-CE1 3.71Å; V385-F411 HydrophobicContact CG2-CZ 4.45Å
386Q98.3Very high94.8Very high92 Ų9244.8 Ų44.843%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-130.6144.5-174.4-64.9-177.9-25.200112.1M388 T410Q386-M388 HydrophobicContact CB-CG 4.37Å; Q386-T410 PolarHBondContact N-O 2.93Å; Q386-T410 PolarHBondContact O-N 3.17Å; Q386-T410 PolarHBondContact O-OG1 3.43Å
387V98.5Very high93Very high29 Ų2943.8 Ų43.818%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-82.9124.2165.3-178.80000108.6A368 Q369 Q372 A407 A408 L409A368-V387 HydrophobicContact CB-CB 4.36Å; A368-V387 HydrophobicContact CB-CG1 3.56Å; A368-V387 HydrophobicContact CB-CG2 3.87Å; Q369-V387 HydrophobicContact CG-CG2 4.4Å; Q372-V387 HydrophobicContact CB-CG2 3.98Å; Q372-V387 HydrophobicContact CG-CG2 4.23Å; V387-A407 HydrophobicContact CG1-CB 4.33Å; V387-A408 CarbonylContact C-O 3.57Å; V387-A408 WeakPolarHBondContact CA-O 3.49Å; V387-L409 HydrophobicContact CG2-CD2 4.03Å
388M98Very high91.1Very high44 Ų4439.7 Ų39.722%0.21724%0.239CC..EExtended strand (participates in β ladder)trans-128142.7179.1-64.8-171.97100111.3Q386 A408 T410 W445Q386-M388 HydrophobicContact CB-CG 4.37Å; M388-A408 PolarHBondContact N-O 3.11Å; M388-A408 PolarHBondContact O-N 2.85Å; M388-T410 HydrophobicContact CB-CG2 3.97Å; M388-T410 HydrophobicContact CG-CG2 3.92Å; M388-T410 HydrophobicContact SD-CG2 3.74Å; M388-T410 PolarHBondContact SD-OG1 2.98Å; M388-W445 HydrophobicContact CB-CH2 4.14Å; M388-W445 HydrophobicContact CB-CZ3 3.84Å; M388-W445 HydrophobicContact CE-CH2 3.87Å; M388-W445 HydrophobicContact CE-CZ2 4.47Å; M388-W445 HydrophobicContact SD-CH2 3.9Å; M388-W445 HydrophobicContact SD-CZ2 4.36Å; M388-W445 HydrophobicContact SD-CZ3 4.41Å
389P97.3Very high89.4Confident106 Ų10636 Ų3669%0.68822%0.222SC*.EExtended strand (participates in β ladder)trans-65.3144169.729.8-34.4000109.7
390C96.2Very high87.7Confident17 Ų1738.3 Ų38.312%0.11524%0.238CC..EExtended strand (participates in β ladder)trans-149.2175.9174.366.10000111.1S406 A408 W445C390-S406 PolarHBondContact N-O 2.96Å; C390-S406 PolarHBondContact O-N 3.41Å; C390-A408 HydrophobicContact CB-CB 4.42Å; C390-W445 HydrophobicContact CB-CE3 4.21Å; C390-W445 HydrophobicContact CB-CZ3 3.99Å
391L94.7Very high86.4Confident76 Ų7639 Ų3940%0.39824%0.236SC..EExtended strand (participates in β ladder)trans-114.2130.9173.2-63.9175.4000109.3D402 L404 P405 R438L391-D402 HydrophobicContact CB-CB 3.69Å; L391-D402 HydrophobicContact CD1-CB 4.15Å; L391-L404 WeakPolarHBondContact CA-O 3.38Å; L391-P405 HydrophobicContact CD2-CG 4.36Å; L391-R438 PolarHBondContact O-NH2 3.07Å
392S94.4Very high85.1Confident0 Ų037.7 Ų37.70%022%0.215CC..EExtended strand (participates in β ladder)trans-90.3159.1171-40.40000110.8G88 R403 L404 S406 D447 R449G88-S392 CarbonylContact O-C 2.83Å; G88-S392 VanDerWaalsContact O-CA 3.26Å; G88-S392 WeakPolarHBondContact O-CA 3.37Å; G88-S392 VanDerWaalsContact O-CB 3.24Å; G88-S392 WeakPolarHBondContact O-CB 3.32Å; S392-R403 PolarHBondContact O-N 3.26Å; S392-R403 VanDerWaalsContact O-N 3.09Å; S392-L404 PolarHBondContact N-O 3.31Å; S392-L404 PolarHBondContact O-N 3.31Å; S392-L404 VanDerWaalsContact O-N 3.1Å; S392-S406 WeakPolarHBondContact OG-CB 3.47Å; S392-S406 PolarHBondContact OG-OG 3.29Å; S392-D447 WeakPolarHBondContact CA-OD2 3.14Å; S392-D447 VanDerWaalsContact CB-OD2 3.28Å; S392-D447 WeakPolarHBondContact CB-OD2 3.37Å; S392-D447 PolarHBondContact OG-OD1 2.97Å; S392-D447 PolarHBondContact OG-OD2 3.3Å; S392-R449 PolarHBondContact OG-NE 3.5Å; S392-R449 PolarHBondContact OG-NH2 3.49Å
393Q91.9Very high84.2Confident59 Ų5938.3 Ų38.328%0.27621%0.214SC..EExtended strand (participates in β ladder)trans-105.5145.3174-60.6-177.1-3.100110.6G88 T89 V90 D402G88-Q393 PolarHBondContact O-N 3.22Å; T89-Q393 WeakPolarHBondContact CA-O 3.32Å; T89-Q393 HydrophobicContact CG2-CB 4.34Å; T89-Q393 PolarHBondContact OG1-OE1 3.24Å; V90-Q393 PolarHBondContact N-O 3.28Å; Q393-D402 VanDerWaalsContact CD-OD1 3.26Å; Q393-D402 WeakPolarHBondContact CG-OD1 3.29Å; Q393-D402 PolarHBondContact NE2-OD1 3.41Å
394I90.7Very high83.9Confident2 Ų238.7 Ų38.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-69.1-46.1169.5-57-161.9000109.8L91 L296 L357 S398 L399 L404L91-I394 VanDerWaalsContact CB-O 3.29Å; L91-I394 WeakPolarHBondContact CB-O 3.48Å; L91-I394 HydrophobicContact CD1-CG2 4.23Å; L91-I394 PolarHBondContact N-O 2.91Å; L296-I394 HydrophobicContact CD2-CG2 3.76Å; L357-I394 HydrophobicContact CD1-CG2 4.32Å; L357-I394 HydrophobicContact CD2-CB 4.08Å; L357-I394 HydrophobicContact CD2-CD1 4.24Å; L357-I394 HydrophobicContact CD2-CG1 3.81Å; L357-I394 HydrophobicContact CD2-CG2 3.86Å; I394-S398 VanDerWaalsContact CG2-OG 3.24Å; I394-S398 WeakPolarHBondContact CG2-OG 3.43Å; I394-L399 HydrophobicContact CB-CB 4.45Å; I394-L399 HydrophobicContact CD1-CB 4.4Å; I394-L399 HydrophobicContact CD1-CD1 3.58Å; I394-L404 HydrophobicContact CG1-CD1 4.03Å; I394-L404 HydrophobicContact CG1-CG 4.41Å
395G86.5Confident83.7Confident8 Ų841.1 Ų41.18%0.08223%0.229CC..EExtended strand (participates in β ladder)trans89.8-168.817700000115.1L91 G397 S398L91-G395 CarbonylContact O-C 3.52Å; G395-G397 PolarHBondContact O-N 3.31Å; G395-S398 PolarHBondContact O-N 3.18Å; G395-S398 PolarHBondContact O-OG 3.39Å
396S69.8Low83.7Confident9 Ų940.9 Ų40.96%0.06323%0.228CC..THydrogen-bonded Turntrans51.224.5-179.2-77.40000116.2L91 R97 K295 S398L91-S396 WeakPolarHBondContact CB-OG 3.22Å; L91-S396 PolarHBondContact O-N 3.41Å; L91-S396 PolarHBondContact O-OG 3.33Å; R97-S396 WeakPolarHBondContact CG-OG 3.42Å; K295-S396 WeakPolarHBondContact CE-O 3.45Å; K295-S396 PolarHBondContact NZ-O 3.01Å; K295-S396 VanDerWaalsContact NZ-O 3.09Å; S396-S398 VanDerWaalsContact C-N 3.29Å; S396-S398 PolarHBondContact O-N 3.46Å
397G61.9Low83.7Confident15 Ų1536.5 Ų36.516%0.15521%0.207CC..THydrogen-bonded Turntrans47.857.2-168.500000109.7S228 N229 G395S228-G397 CarbonylContact C-O 3.59Å; S228-G397 VanDerWaalsContact CA-O 3.23Å; S228-G397 WeakPolarHBondContact CA-O 3.26Å; S228-G397 WeakPolarHBondContact CB-O 3.04Å; S228-G397 CarbonylContact O-C 3.59Å; S228-G397 VanDerWaalsContact O-CA 3.26Å; S228-G397 WeakPolarHBondContact O-CA 3.45Å; S228-G397 PolarHBondContact OG-O 3.35Å; N229-G397 PolarHBondContact N-O 3.31Å; G395-G397 PolarHBondContact O-N 3.31Å
398S55.6Low83.7Confident3 Ų335.1 Ų35.12%0.02120%0.199CC..THydrogen-bonded Turntrans-99.8-47.216047.20000108.3S228 I394 G395 S396S228-S398 CarbonylContact O-C 3.45Å; S228-S398 PolarHBondContact O-N 3.11Å; I394-S398 VanDerWaalsContact CG2-OG 3.24Å; I394-S398 WeakPolarHBondContact CG2-OG 3.43Å; G395-S398 PolarHBondContact O-N 3.18Å; G395-S398 PolarHBondContact O-OG 3.39Å; S396-S398 VanDerWaalsContact C-N 3.29Å; S396-S398 PolarHBondContact O-N 3.46Å
399L63.1Low83.7Confident16 Ų1633 Ų338%0.08419%0.189CC..BIsolated β-bridgetrans-140.5101.5177.4-75.5160000109.2P273 E275 I394 V401P273-L399 HydrophobicContact CB-CD1 3.84Å; P273-L399 HydrophobicContact CG-CD1 4.1Å; E275-L399 HydrophobicContact CG-CD1 3.99Å; E275-L399 WeakPolarHBondContact OE1-CD1 3.28Å; E275-L399 WeakPolarHBondContact OE1-CD2 3.4Å; E275-L399 VanDerWaalsContact OE1-CG 3.22Å; E275-L399 WeakPolarHBondContact OE1-CG 3.11Å; I394-L399 HydrophobicContact CB-CB 4.45Å; I394-L399 HydrophobicContact CD1-CB 4.4Å; I394-L399 HydrophobicContact CD1-CD1 3.58Å; L399-V401 PolarHBondContact O-N 3.1Å
400P61.4Low83.8Confident56 Ų5628 Ų2836%0.36416%0.156SC..  trans-77.414.4-172.131.7-36.3000114.2
401V68.9Low83.9Confident47 Ų4727.2 Ų27.229%0.28515%0.15SC..SBendtrans-117.4134.8-171.7-174.30000109.5L399 R403L399-V401 PolarHBondContact O-N 3.1Å; V401-R403 HydrophobicContact CB-CG 4.09Å; V401-R403 HydrophobicContact CG1-CG 4.04Å; V401-R403 WeakPolarHBondContact O-CG 3.25Å; V401-R403 PolarHBondContact O-N 3.12Å; V401-R403 VanDerWaalsContact O-N 3.11Å
402D68.1Low84.1Confident68 Ų6825.4 Ų25.436%0.36414%0.143SC..  trans-56.5107.4169.3-78.9-6.3000109.9L391 Q393L391-D402 HydrophobicContact CB-CB 3.69Å; L391-D402 HydrophobicContact CD1-CB 4.15Å; Q393-D402 VanDerWaalsContact CD-OD1 3.26Å; Q393-D402 WeakPolarHBondContact CG-OD1 3.29Å; Q393-D402 PolarHBondContact NE2-OD1 3.41Å
403R78.2Confident84.2Confident114 Ų11425.8 Ų25.843%0.4315%0.145SC..  trans-133.9-16.5-170-75.5-175.7-174.1-155.36.5115.2P273 S392 V401 P405P273-R403 HydrophobicContact CG-CB 4.5Å; S392-R403 PolarHBondContact O-N 3.26Å; S392-R403 VanDerWaalsContact O-N 3.09Å; V401-R403 HydrophobicContact CB-CG 4.09Å; V401-R403 HydrophobicContact CG1-CG 4.04Å; V401-R403 WeakPolarHBondContact O-CG 3.25Å; V401-R403 PolarHBondContact O-N 3.12Å; V401-R403 VanDerWaalsContact O-N 3.11Å; R403-P405 WeakPolarHBondContact O-CD 3.33Å
404L92.1Very high84.5Confident9 Ų928.6 Ų28.65%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-104.8110.8-171-52.6-174.9000111.2L272 L357 L391 S392 I394 S406 R449L272-L404 HydrophobicContact CD2-CD1 4.38Å; L272-L404 HydrophobicContact CD2-CD2 3.35Å; L357-L404 HydrophobicContact CD2-CD1 3.75Å; L391-L404 WeakPolarHBondContact CA-O 3.38Å; S392-L404 PolarHBondContact N-O 3.31Å; S392-L404 PolarHBondContact O-N 3.31Å; S392-L404 VanDerWaalsContact O-N 3.1Å; I394-L404 HydrophobicContact CG1-CD1 4.03Å; I394-L404 HydrophobicContact CG1-CG 4.41Å; L404-S406 PolarHBondContact O-N 2.87Å; L404-R449 PolarHBondContact O-NH2 3.19Å
405P94.9Very high84.7Confident82 Ų8232 Ų3253%0.53218%0.176SC..EExtended strand (participates in β ladder)trans-56.3122.6177.5-25.935.7000112.6A361 L391 R403 R449A361-P405 HydrophobicContact CB-CB 4.04Å; A361-P405 VanDerWaalsContact CB-O 3.31Å; A361-P405 WeakPolarHBondContact CB-O 3.35Å; L391-P405 HydrophobicContact CD2-CG 4.36Å; R403-P405 WeakPolarHBondContact O-CD 3.33Å; P405-R449 PolarHBondContact O-NH2 3.15Å
406S97.2Very high85Confident7 Ų734.6 Ų34.65%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-138.7179.3-175.1-158.40000111.2C390 S392 L404 D447 R449C390-S406 PolarHBondContact N-O 2.96Å; C390-S406 PolarHBondContact O-N 3.41Å; S392-S406 WeakPolarHBondContact OG-CB 3.47Å; S392-S406 PolarHBondContact OG-OG 3.29Å; L404-S406 PolarHBondContact O-N 2.87Å; S406-D447 WeakPolarHBondContact CB-OD1 3.34Å; S406-D447 PolarHBondContact OG-OD1 3.25Å; S406-R449 VanDerWaalsContact CB-NH2 3.32Å
407A98.3Very high86Confident0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-127.7144.1168.100000110.6I364 Q365 A368 V387 L448I364-A407 HydrophobicContact CG2-CB 4.06Å; I364-A407 WeakPolarHBondContact CG2-O 3.34Å; Q365-A407 HydrophobicContact CB-CB 4.13Å; A368-A407 HydrophobicContact CB-CB 4.18Å; V387-A407 HydrophobicContact CG1-CB 4.33Å; A407-L448 PolarHBondContact O-N 2.98Å; A407-L448 VanDerWaalsContact O-N 3.09Å
408A98.3Very high87.5Confident0 Ų042.7 Ų42.70%024%0.241CC..EExtended strand (participates in β ladder)trans-123.6149.417900000111.6V387 M388 C390 T410 W445 L446V387-A408 CarbonylContact C-O 3.57Å; V387-A408 WeakPolarHBondContact CA-O 3.49Å; M388-A408 PolarHBondContact N-O 3.11Å; M388-A408 PolarHBondContact O-N 2.85Å; C390-A408 HydrophobicContact CB-CB 4.42Å; A408-T410 HydrophobicContact CB-CG2 4.45Å; A408-W445 HydrophobicContact CB-CE3 3.8Å; A408-W445 HydrophobicContact CB-CZ3 4.41Å; A408-L446 CarbonylContact C-O 3.14Å; A408-L446 WeakPolarHBondContact CA-O 3.13Å; A408-L446 WeakPolarHBondContact CB-O 3.4Å
409L98.6Very high89.4Confident0 Ų045.4 Ų45.40%026%0.26CS..EExtended strand (participates in β ladder)trans-86.1127.4159.2-74.5162.1000108.5L371 Q372 L375 V385 V387 F411 L446 L448 F457L371-L409 HydrophobicContact CB-CD1 3.85Å; L371-L409 HydrophobicContact CD1-CD1 4.49Å; Q372-L409 HydrophobicContact CB-CD2 3.99Å; Q372-L409 HydrophobicContact CG-CD2 4.35Å; L375-L409 HydrophobicContact CD1-CD1 3.47Å; L375-L409 VanDerWaalsContact CD1-CD1 3.47Å; V385-L409 HydrophobicContact CG1-CD2 4.35Å; V387-L409 HydrophobicContact CG2-CD2 4.03Å; L409-F411 HydrophobicContact CB-CE2 4.36Å; L409-L446 HydrophobicContact CB-CB 4.26Å; L409-L446 PolarHBondContact N-O 3.16Å; L409-L446 WeakPolarHBondContact O-CB 3.33Å; L409-L446 PolarHBondContact O-N 2.92Å; L409-L448 HydrophobicContact CD1-CD1 4.03Å; L409-L448 HydrophobicContact CD1-CD2 4.25Å; L409-L448 HydrophobicContact CG-CD1 4.23Å; L409-F457 HydrophobicContact CD1-CE1 4.26Å; L409-F457 HydrophobicContact CD1-CZ 4.34Å
410T98.5Very high91Very high0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-116.9141.5-178.761.50000110.8V385 Q386 M388 A408 L444 W445V385-T410 VanDerWaalsContact CA-O 3.3Å; V385-T410 WeakPolarHBondContact CA-O 3.38Å; Q386-T410 PolarHBondContact N-O 2.93Å; Q386-T410 PolarHBondContact O-N 3.17Å; Q386-T410 PolarHBondContact O-OG1 3.43Å; M388-T410 HydrophobicContact CB-CG2 3.97Å; M388-T410 HydrophobicContact CG-CG2 3.92Å; M388-T410 HydrophobicContact SD-CG2 3.74Å; M388-T410 PolarHBondContact SD-OG1 2.98Å; A408-T410 HydrophobicContact CB-CG2 4.45Å; T410-L444 CarbonylContact C-O 3.6Å; T410-L444 VanDerWaalsContact CA-O 3.31Å; T410-L444 WeakPolarHBondContact CA-O 3.44Å; T410-W445 HydrophobicContact CG2-CD2 3.6Å; T410-W445 HydrophobicContact CG2-CE3 3.43Å; T410-W445 VanDerWaalsContact CG2-CE3 3.43Å; T410-W445 HydrophobicContact CG2-CG 4.18Å; T410-W445 HydrophobicContact CG2-CH2 4.15Å; T410-W445 HydrophobicContact CG2-CZ2 4.32Å; T410-W445 HydrophobicContact CG2-CZ3 3.72Å
411F98.5Very high92.7Very high0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-117.6116.4177-63.6-107.2000107.4L375 Y379 F383 V385 L409 L421 L424 W428 R443 L444 L446L375-F411 HydrophobicContact CD1-CZ 4.33Å; Y379-F411 AromaticContact CD2-CE1 3.77Å; Y379-F411 HydrophobicContact CD2-CE1 3.77Å; Y379-F411 HydrophobicContact CE2-CE1 4.41Å; Y379-F411 HydrophobicContact CG-CD1 4.4Å; Y379-F411 AromaticContact CG-CE1 3.85Å; Y379-F411 HydrophobicContact CG-CE1 3.85Å; F383-F411 HydrophobicContact CB-CB 4.24Å; F383-F411 HydrophobicContact CB-CD1 4.19Å; F383-F411 HydrophobicContact CD1-CB 4.18Å; F383-F411 HydrophobicContact CG-CB 4.29Å; F383-F411 HydrophobicContact CG-CD1 4.39Å; V385-F411 HydrophobicContact CG1-CE1 4.36Å; V385-F411 HydrophobicContact CG1-CZ 4.3Å; V385-F411 HydrophobicContact CG2-CD1 3.77Å; V385-F411 HydrophobicContact CG2-CE1 3.71Å; V385-F411 HydrophobicContact CG2-CZ 4.45Å; L409-F411 HydrophobicContact CB-CE2 4.36Å; F411-L421 WeakPolarHBondContact O-CD2 3.4Å; F411-L424 HydrophobicContact CB-CD2 4.22Å; F411-L424 HydrophobicContact CD1-CD2 4.11Å; F411-L424 HydrophobicContact CG-CD2 4.21Å; F411-W428 HydrophobicContact CD1-CH2 4.32Å; F411-W428 AromaticContact CD2-CH2 3.96Å; F411-W428 HydrophobicContact CD2-CH2 3.96Å; F411-W428 AromaticContact CE1-CH2 3.99Å; F411-W428 HydrophobicContact CE1-CH2 3.99Å; F411-W428 HydrophobicContact CE1-CZ2 4.21Å; F411-W428 AromaticContact CE2-CH2 3.64Å; F411-W428 HydrophobicContact CE2-CH2 3.64Å; F411-W428 HydrophobicContact CE2-CZ3 4.43Å; F411-W428 HydrophobicContact CG-CH2 4.32Å; F411-W428 AromaticContact CZ-CH2 3.65Å; F411-W428 HydrophobicContact CZ-CH2 3.65Å; F411-W428 HydrophobicContact CZ-CZ2 4.15Å; F411-R443 WeakPolarHBondContact O-CA 3.45Å; F411-L444 HydrophobicContact CB-CB 4.33Å; F411-L444 PolarHBondContact N-O 2.89Å; F411-L444 PolarHBondContact O-N 3.13Å; F411-L446 HydrophobicContact CE2-CD1 3.77Å; F411-L446 HydrophobicContact CE2-CG 4.24Å; F411-L446 HydrophobicContact CZ-CD1 4.48Å
412T98.3Very high94Very high38 Ų3848.9 Ų48.923%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-112.9121.5177.4-47.70000108.5F383 A384 H414 R443F383-T412 CarbonylContact C-O 3.56Å; F383-T412 WeakPolarHBondContact CA-O 3.18Å; A384-T412 PolarHBondContact N-O 3.46Å; A384-T412 PolarHBondContact O-N 3.38Å; T412-H414 PolarHBondContact O-N 2.92Å; T412-R443 HydrophobicContact CG2-CG 4.28Å; T412-R443 WeakPolarHBondContact OG1-CD 3.31Å; T412-R443 WeakPolarHBondContact OG1-CG 3.29Å; T412-R443 PolarHBondContact OG1-NE 3.16Å
413P98Very high95.4Very high9 Ų948.6 Ų48.66%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-70132-177.630.6-32.7000109.7F383 D415 G416 H420 L421F383-P413 HydrophobicContact CD1-CB 4.04Å; F383-P413 HydrophobicContact CE1-CB 3.95Å; P413-D415 PolarHBondContact O-N 2.92Å; P413-G416 PolarHBondContact O-N 3.37Å; P413-H420 HydrophobicContact CB-CB 4.3Å; P413-L421 HydrophobicContact CG-CD1 4.37Å; P413-L421 HydrophobicContact CG-CD2 4.43Å; P413-L421 HydrophobicContact CG-CG 4.12Å
414H97.1Very high96.3Very high117 Ų11743.1 Ų43.154%0.54225%0.25SS..THydrogen-bonded Turntrans-62.7-26.1-177.5-68-50.3000113.2G380 A381 E382 F383 A384 T412G380-H414 PolarHBondContact O-NE2 2.81Å; A381-H414 PolarHBondContact O-CD2 3.39Å; E382-H414 PolarHBondContact O-CD2 3.02Å; E382-H414 PolarHBondContact O-N 3.4Å; F383-H414 VanDerWaalsContact C-CE1 3.47Å; F383-H414 VanDerWaalsContact C-NE2 3.34Å; F383-H414 PolarHBondContact O-NE2 2.9Å; A384-H414 PolarHBondContact N-CE1 2.88Å; T412-H414 PolarHBondContact O-N 2.92Å
415D94.8Very high96.6Very high74 Ų7443.1 Ų43.140%0.39625%0.251SS..THydrogen-bonded Turntrans-91.2-0.7178.573.8-16.9000114P413 R417 H420P413-D415 PolarHBondContact O-N 2.92Å; D415-R417 PolarHBondContact O-N 3.49Å; D415-R417 PolarHBondContact OD1-N 2.77Å; D415-R417 VanDerWaalsContact OD1-N 3.07Å; D415-R417 WeakPolarHBondContact OD2-CD 3.46Å; D415-R417 VanDerWaalsContact OD2-CG 3.31Å; D415-R417 WeakPolarHBondContact OD2-CG 3.21Å; D415-R417 IonicContact OD2-NE 2.93Å; D415-H420 IonicContact OD1-CE1 3.95Å; D415-H420 IonicContact OD1-ND1 2.74Å; D415-H420 PolarHBondContact OD1-ND1 3.5Å; D415-H420 IonicContact OD2-CE1 2.76Å; D415-H420 PolarHBondContact OD2-CE1 3.22Å; D415-H420 IonicContact OD2-ND1 3.94Å; D415-H420 PolarHBondContact OD2-ND1 3.3Å; D415-H420 IonicContact OD2-NE2 3.09Å
416G92.4Very high96.7Very high63 Ų6340.8 Ų40.865%0.64924%0.239SC*.  trans71.57.4179.600000115.4P413 G418P413-G416 PolarHBondContact O-N 3.37Å; G416-G418 PolarHBondContact O-N 2.96Å
417R92.6Very high96.7Very high151 Ų15145.5 Ų45.557%0.5726%0.256SS*.  trans-84116.7-175.9-65.5-173.8-175169.6-0.9112.2D415 S419 H420D415-R417 PolarHBondContact O-N 3.49Å; D415-R417 PolarHBondContact OD1-N 2.77Å; D415-R417 VanDerWaalsContact OD1-N 3.07Å; D415-R417 WeakPolarHBondContact OD2-CD 3.46Å; D415-R417 VanDerWaalsContact OD2-CG 3.31Å; D415-R417 WeakPolarHBondContact OD2-CG 3.21Å; D415-R417 IonicContact OD2-NE 2.93Å; R417-S419 PolarHBondContact O-N 2.91Å; R417-H420 PolarHBondContact O-N 2.74Å; R417-H420 VanDerWaalsContact O-N 3.12Å
418G93.3Very high96.6Very high42 Ų4245.7 Ų45.743%0.43326%0.256SS..Hα-helixtrans-58.1-30.4174.800000114.2G416 H420 L421 E422G416-G418 PolarHBondContact O-N 2.96Å; G418-H420 PolarHBondContact O-N 2.88Å; G418-L421 WeakPolarHBondContact O-CB 3.35Å; G418-L421 PolarHBondContact O-N 3.15Å; G418-E422 PolarHBondContact O-N 3.45Å; G418-E422 VanDerWaalsContact O-N 3.08Å
419S95.6Very high96.5Very high60 Ų6051.7 Ų51.742%0.4228%0.279SS..Hα-helixtrans-61-28.4176.957.10000113.5R417 S423R417-S419 PolarHBondContact O-N 2.91Å; S419-S423 VanDerWaalsContact O-CB 3.31Å; S419-S423 WeakPolarHBondContact O-CB 3.45Å; S419-S423 PolarHBondContact O-N 3.39Å; S419-S423 PolarHBondContact O-OG 3.25Å
420H95.9Very high96.2Very high62 Ų6259.1 Ų59.129%0.28731%0.314SS..Hα-helixtrans-71.3-34.8175.2-69.5174.9000111.8F383 P413 D415 R417 G418 S423 L424F383-H420 HydrophobicContact CE1-CB 4.31Å; F383-H420 HydrophobicContact CZ-CB 4.31Å; P413-H420 HydrophobicContact CB-CB 4.3Å; D415-H420 IonicContact OD1-CE1 3.95Å; D415-H420 IonicContact OD1-ND1 2.74Å; D415-H420 PolarHBondContact OD1-ND1 3.5Å; D415-H420 IonicContact OD2-CE1 2.76Å; D415-H420 PolarHBondContact OD2-CE1 3.22Å; D415-H420 IonicContact OD2-ND1 3.94Å; D415-H420 PolarHBondContact OD2-ND1 3.3Å; D415-H420 IonicContact OD2-NE2 3.09Å; R417-H420 PolarHBondContact O-N 2.74Å; R417-H420 VanDerWaalsContact O-N 3.12Å; G418-H420 PolarHBondContact O-N 2.88Å; H420-S423 PolarHBondContact O-N 3.16Å; H420-L424 WeakPolarHBondContact O-CB 3.45Å; H420-L424 PolarHBondContact O-N 3.06Å
421L97.3Very high96Very high2 Ų260.5 Ų60.51%0.0132%0.321CS..Hα-helixtrans-67.9-43.8172.9-64.2175.2000111.7F383 F411 P413 G418 S423 L424 A425 I439 G442 L444F383-L421 HydrophobicContact CD1-CD2 4.24Å; F383-L421 HydrophobicContact CE1-CD2 3.95Å; F411-L421 WeakPolarHBondContact O-CD2 3.4Å; P413-L421 HydrophobicContact CG-CD1 4.37Å; P413-L421 HydrophobicContact CG-CD2 4.43Å; P413-L421 HydrophobicContact CG-CG 4.12Å; G418-L421 WeakPolarHBondContact O-CB 3.35Å; G418-L421 PolarHBondContact O-N 3.15Å; L421-S423 VanDerWaalsContact C-N 3.3Å; L421-S423 PolarHBondContact O-N 3.42Å; L421-L424 PolarHBondContact O-N 2.96Å; L421-A425 WeakPolarHBondContact O-CB 3.43Å; L421-A425 PolarHBondContact O-N 2.85Å; L421-I439 HydrophobicContact CB-CD1 4.17Å; L421-I439 HydrophobicContact CD1-CG2 4.36Å; L421-G442 WeakPolarHBondContact CD1-O 3.31Å; L421-L444 HydrophobicContact CD2-CB 3.88Å
422E96.6Very high95.6Very high128 Ų12865 Ų6560%0.59835%0.35SS*.Hα-helixtrans-60.9-42.3175.7-69.5177.1179.900111.3G418 A425 A426 I439G418-E422 PolarHBondContact O-N 3.45Å; G418-E422 VanDerWaalsContact O-N 3.08Å; E422-A425 PolarHBondContact O-N 3.05Å; E422-A426 VanDerWaalsContact O-CB 3.3Å; E422-A426 WeakPolarHBondContact O-CB 3.34Å; E422-A426 PolarHBondContact O-N 3.37Å; E422-I439 HydrophobicContact CG-CD1 4.17Å
423S96.9Very high95.5Very high62 Ų6264 Ų6443%0.43434%0.344SS..Hα-helixtrans-65.7-42.4176.7-59.90000112.1S419 H420 L421 A426 R427S419-S423 VanDerWaalsContact O-CB 3.31Å; S419-S423 WeakPolarHBondContact O-CB 3.45Å; S419-S423 PolarHBondContact O-N 3.39Å; S419-S423 PolarHBondContact O-OG 3.25Å; H420-S423 PolarHBondContact O-N 3.16Å; L421-S423 VanDerWaalsContact C-N 3.3Å; L421-S423 PolarHBondContact O-N 3.42Å; S423-A426 PolarHBondContact O-N 2.67Å; S423-R427 WeakPolarHBondContact O-CG 3.31Å; S423-R427 PolarHBondContact O-N 3.5Å
424L97.1Very high95.4Very high0 Ų063.8 Ų63.80%034%0.343CS..Hα-helixtrans-61.2-49.1174.1-179.564.7000111Y379 F383 F411 H420 L421 A426 R427 W428 L444Y379-L424 HydrophobicContact CD1-CD1 4.21Å; Y379-L424 HydrophobicContact CE1-CD1 3.69Å; F383-L424 HydrophobicContact CD2-CD2 4.4Å; F383-L424 HydrophobicContact CE1-CD2 4.16Å; F383-L424 HydrophobicContact CE2-CD2 4.03Å; F383-L424 HydrophobicContact CZ-CB 4.17Å; F383-L424 HydrophobicContact CZ-CD2 3.9Å; F411-L424 HydrophobicContact CB-CD2 4.22Å; F411-L424 HydrophobicContact CD1-CD2 4.11Å; F411-L424 HydrophobicContact CG-CD2 4.21Å; H420-L424 WeakPolarHBondContact O-CB 3.45Å; H420-L424 PolarHBondContact O-N 3.06Å; L421-L424 PolarHBondContact O-N 2.96Å; L424-A426 VanDerWaalsContact C-N 3.29Å; L424-A426 PolarHBondContact O-N 3.27Å; L424-R427 VanDerWaalsContact CD1-NH2 3.3Å; L424-R427 PolarHBondContact O-N 2.82Å; L424-W428 HydrophobicContact CD1-CD2 4.32Å; L424-W428 HydrophobicContact CD1-CH2 4.45Å; L424-W428 HydrophobicContact CD1-CZ2 3.67Å; L424-W428 HydrophobicContact CD2-CH2 3.93Å; L424-W428 HydrophobicContact CD2-CZ2 3.94Å; L424-W428 HydrophobicContact CD2-CZ3 4.49Å; L424-W428 HydrophobicContact CG-CD2 4.25Å; L424-W428 HydrophobicContact CG-CH2 4.17Å; L424-W428 HydrophobicContact CG-CZ2 3.87Å; L424-W428 PolarHBondContact O-N 2.69Å; L424-L444 HydrophobicContact CD2-CD2 3.8Å; L424-L444 HydrophobicContact CG-CD2 4.05Å
425A97.6Very high95.5Very high8 Ų858.3 Ų58.37%0.06632%0.318CS..Hα-helixtrans-63.3-34.3177.700000112.3L421 E422 R429 I439 L444L421-A425 WeakPolarHBondContact O-CB 3.43Å; L421-A425 PolarHBondContact O-N 2.85Å; E422-A425 PolarHBondContact O-N 3.05Å; A425-R429 WeakPolarHBondContact O-CG 3.2Å; A425-R429 PolarHBondContact O-N 3.43Å; A425-R429 VanDerWaalsContact O-N 3.16Å; A425-R429 PolarHBondContact O-NH1 3.47Å; A425-I439 HydrophobicContact CB-CD1 4.22Å; A425-L444 HydrophobicContact CB-CD1 4.41Å; A425-L444 HydrophobicContact CB-CD2 4.35Å
426A97.4Very high95.6Very high33 Ų3356.7 Ų56.727%0.27331%0.309SS..Hα-helixtrans-65.4-49.317400000111.8E422 S423 L424 W428 R429 E430E422-A426 VanDerWaalsContact O-CB 3.3Å; E422-A426 WeakPolarHBondContact O-CB 3.34Å; E422-A426 PolarHBondContact O-N 3.37Å; S423-A426 PolarHBondContact O-N 2.67Å; L424-A426 VanDerWaalsContact C-N 3.29Å; L424-A426 PolarHBondContact O-N 3.27Å; A426-W428 VanDerWaalsContact C-N 3.27Å; A426-W428 PolarHBondContact O-N 3.47Å; A426-R429 VanDerWaalsContact CA-NH2 3.35Å; A426-R429 WeakPolarHBondContact O-CB 3.39Å; A426-R429 PolarHBondContact O-N 3.07Å; A426-E430 PolarHBondContact O-N 2.89Å
427R96.8Very high95.9Very high106 Ų10654.7 Ų54.740%0.429%0.287SS..Hα-helixtrans-55.1-44.1174.7-73.4-175-67.8143.7-15.3111.7S423 L424 R429 E430 L431S423-R427 WeakPolarHBondContact O-CG 3.31Å; S423-R427 PolarHBondContact O-N 3.5Å; L424-R427 VanDerWaalsContact CD1-NH2 3.3Å; L424-R427 PolarHBondContact O-N 2.82Å; R427-R429 VanDerWaalsContact C-N 3.26Å; R427-R429 PolarHBondContact O-N 2.85Å; R427-E430 PolarHBondContact O-N 2.81Å; R427-L431 PolarHBondContact O-N 3.42Å
428W97.4Very high96Very high4 Ų450.3 Ų50.32%0.01527%0.271CS..Hα-helixtrans-67.6-23.5178.4-69.9-6.5000114.3Y379 F411 L424 A426 E430 L431 P434 V435 L444 L446 L461Y379-W428 HydrophobicContact CE1-CZ2 4.24Å; Y379-W428 HydrophobicContact CE2-CZ2 4.29Å; Y379-W428 AromaticContact CZ-CZ2 3.9Å; Y379-W428 AromaticContact CZ-NE1 3.88Å; Y379-W428 PolarHBondContact OH-NE1 3.04Å; Y379-W428 VanDerWaalsContact OH-NE1 3.12Å; F411-W428 HydrophobicContact CD1-CH2 4.32Å; F411-W428 AromaticContact CD2-CH2 3.96Å; F411-W428 HydrophobicContact CD2-CH2 3.96Å; F411-W428 AromaticContact CE1-CH2 3.99Å; F411-W428 HydrophobicContact CE1-CH2 3.99Å; F411-W428 HydrophobicContact CE1-CZ2 4.21Å; F411-W428 AromaticContact CE2-CH2 3.64Å; F411-W428 HydrophobicContact CE2-CH2 3.64Å; F411-W428 HydrophobicContact CE2-CZ3 4.43Å; F411-W428 HydrophobicContact CG-CH2 4.32Å; F411-W428 AromaticContact CZ-CH2 3.65Å; F411-W428 HydrophobicContact CZ-CH2 3.65Å; F411-W428 HydrophobicContact CZ-CZ2 4.15Å; L424-W428 HydrophobicContact CD1-CD2 4.32Å; L424-W428 HydrophobicContact CD1-CH2 4.45Å; L424-W428 HydrophobicContact CD1-CZ2 3.67Å; L424-W428 HydrophobicContact CD2-CH2 3.93Å; L424-W428 HydrophobicContact CD2-CZ2 3.94Å; L424-W428 HydrophobicContact CD2-CZ3 4.49Å; L424-W428 HydrophobicContact CG-CD2 4.25Å; L424-W428 HydrophobicContact CG-CH2 4.17Å; L424-W428 HydrophobicContact CG-CZ2 3.87Å; L424-W428 PolarHBondContact O-N 2.69Å; A426-W428 VanDerWaalsContact C-N 3.27Å; A426-W428 PolarHBondContact O-N 3.47Å; W428-E430 VanDerWaalsContact C-N 3.32Å; W428-L431 HydrophobicContact CB-CD1 4.14Å; W428-L431 HydrophobicContact CG-CD1 4.2Å; W428-P434 VanDerWaalsContact O-CA 3.25Å; W428-P434 WeakPolarHBondContact O-CA 3.09Å; W428-V435 HydrophobicContact CB-CB 4.26Å; W428-V435 HydrophobicContact CE3-CG1 4.41Å; W428-V435 PolarHBondContact O-N 3.42Å; W428-L444 HydrophobicContact CE3-CD2 3.72Å; W428-L444 HydrophobicContact CH2-CD2 3.93Å; W428-L444 HydrophobicContact CZ3-CD2 3.25Å; W428-L444 HydrophobicContact CZ3-CG 4.11Å; W428-L446 HydrophobicContact CE3-CD2 4.41Å; W428-L446 HydrophobicContact CH2-CD1 3.98Å; W428-L446 HydrophobicContact CZ3-CD1 3.77Å; W428-L446 HydrophobicContact CZ3-CD2 3.81Å; W428-L446 HydrophobicContact CZ3-CG 4.09Å; W428-L461 HydrophobicContact CD2-CD2 3.78Å; W428-L461 VanDerWaalsContact CE2-CD2 3.49Å; W428-L461 HydrophobicContact CE3-CD2 4.45Å; W428-L461 HydrophobicContact CG-CD2 4.01Å; W428-L461 HydrophobicContact CH2-CD1 4.27Å; W428-L461 HydrophobicContact CZ2-CD1 4.05Å; W428-L461 HydrophobicContact CZ2-CD2 3.94Å
429R95.7Very high96.2Very high127 Ų12752.4 Ų52.448%0.47927%0.271SS..Hα-helixtrans-75.8-20.6171.4-75.2-173.6-60.4-89.54.9113.6A425 A426 R427 P434 I436A425-R429 WeakPolarHBondContact O-CG 3.2Å; A425-R429 PolarHBondContact O-N 3.43Å; A425-R429 VanDerWaalsContact O-N 3.16Å; A425-R429 PolarHBondContact O-NH1 3.47Å; A426-R429 VanDerWaalsContact CA-NH2 3.35Å; A426-R429 WeakPolarHBondContact O-CB 3.39Å; A426-R429 PolarHBondContact O-N 3.07Å; R427-R429 VanDerWaalsContact C-N 3.26Å; R427-R429 PolarHBondContact O-N 2.85Å; R429-P434 WeakPolarHBondContact O-CG 3.36Å; R429-I436 HydrophobicContact CG-CD1 3.63Å
430E92.7Very high96.1Very high155 Ų15557 Ų5772%0.72428%0.281SS*.Hα-helixtrans-89.7-10.5179.8-67.5177.7170.100113A426 R427 W428A426-E430 PolarHBondContact O-N 2.89Å; R427-E430 PolarHBondContact O-N 2.81Å; W428-E430 VanDerWaalsContact C-N 3.32Å
431L94.2Very high96Very high29 Ų2959.2 Ų59.215%0.15229%0.294CS..SBendtrans-57.9153.7176.3-65.9171.8000112.1R427 W428 V433 P434 V435 M460 L461R427-L431 PolarHBondContact O-N 3.42Å; W428-L431 HydrophobicContact CB-CD1 4.14Å; W428-L431 HydrophobicContact CG-CD1 4.2Å; L431-V433 PolarHBondContact O-N 2.96Å; L431-V433 VanDerWaalsContact O-N 3.17Å; L431-P434 WeakPolarHBondContact O-CD 3.26Å; L431-V435 HydrophobicContact CD1-CG2 4.2Å; L431-M460 HydrophobicContact CD1-CB 4.13Å; L431-M460 WeakPolarHBondContact CD1-O 3.38Å; L431-L461 HydrophobicContact CD1-CD2 4.19Å
432P90.4Very high95.9Very high94 Ų9461.5 Ų61.561%0.6132%0.319SS*.SBendtrans-54-36176.5-27.435.3000113.5M460P432-M460 HydrophobicContact CB-SD 4.4Å
433V95.1Very high96Very high18 Ų1858 Ų5811%0.10930%0.3CS..SBendtrans-120.2103.7163.8179.20000107I84 L431 M460I84-V433 HydrophobicContact CD1-CG1 4.5Å; I84-V433 HydrophobicContact CG1-CG1 3.88Å; L431-V433 PolarHBondContact O-N 2.96Å; L431-V433 VanDerWaalsContact O-N 3.17Å; V433-M460 HydrophobicContact CB-CG 4.03Å; V433-M460 HydrophobicContact CB-SD 3.76Å; V433-M460 HydrophobicContact CG2-SD 4.3Å; V433-M460 PolarHBondContact N-SD 3.36Å
434P96.7Very high96Very high4 Ų455.2 Ų55.23%0.02628%0.28CS..  trans-55.9140-178.6-30.737.6000113.4V83 I84 W428 R429 L431 I436V83-P434 CarbonylContact C-O 3.35Å; V83-P434 WeakPolarHBondContact CA-O 3.29Å; V83-P434 HydrophobicContact CB-CB 4.37Å; V83-P434 HydrophobicContact CG1-CB 3.92Å; V83-P434 HydrophobicContact CG1-CG 4.14Å; I84-P434 PolarHBondContact N-O 3.32Å; W428-P434 VanDerWaalsContact O-CA 3.25Å; W428-P434 WeakPolarHBondContact O-CA 3.09Å; R429-P434 WeakPolarHBondContact O-CG 3.36Å; L431-P434 WeakPolarHBondContact O-CD 3.26Å; P434-I436 HydrophobicContact CB-CD1 4.11Å
435V98.3Very high96.1Very high3 Ų356.1 Ų56.12%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-107.5121.8172.9-176.80000109.2I84 L86 W428 L431 L446 F457 M460 L461I84-V435 HydrophobicContact CB-CG2 4.23Å; I84-V435 HydrophobicContact CD1-CG2 4.1Å; I84-V435 HydrophobicContact CG1-CG2 4.43Å; L86-V435 HydrophobicContact CD1-CG1 3.79Å; W428-V435 HydrophobicContact CB-CB 4.26Å; W428-V435 HydrophobicContact CE3-CG1 4.41Å; W428-V435 PolarHBondContact O-N 3.42Å; L431-V435 HydrophobicContact CD1-CG2 4.2Å; V435-L446 HydrophobicContact CG1-CD2 4.38Å; V435-F457 HydrophobicContact CG1-CD2 4.48Å; V435-F457 HydrophobicContact CG1-CE2 4.13Å; V435-M460 HydrophobicContact CG2-CB 4.13Å; V435-L461 HydrophobicContact CB-CD2 4.19Å; V435-L461 HydrophobicContact CG1-CD2 4.38Å; V435-L461 HydrophobicContact CG2-CD2 3.82Å
436I98.3Very high96.2Very high40 Ų4055.8 Ų55.821%0.20528%0.281CS..EExtended strand (participates in β ladder)trans-117.3112.8-172.2-47.4-60.9000110.2V83 I84 L86 T87 R429 P434V83-I436 HydrophobicContact CB-CG1 4.33Å; I84-I436 PolarHBondContact O-N 3.38Å; L86-I436 CarbonylContact C-O 3.36Å; L86-I436 VanDerWaalsContact CA-O 3.27Å; L86-I436 WeakPolarHBondContact CA-O 3.36Å; L86-I436 PolarHBondContact N-O 2.98Å; T87-I436 HydrophobicContact CG2-CB 4.37Å; T87-I436 HydrophobicContact CG2-CG2 3.74Å; T87-I436 PolarHBondContact N-O 3.48Å; R429-I436 HydrophobicContact CG-CD1 3.63Å; P434-I436 HydrophobicContact CB-CD1 4.11Å
437G97.6Very high96.2Very high20 Ų2054.2 Ų54.221%0.20627%0.268CS..  trans-110.6-163.3170.900000112.7W445G437-W445 VanDerWaalsContact CA-O 3.25Å; G437-W445 WeakPolarHBondContact CA-O 3.48Å
438R96.1Very high96.3Very high60 Ų6049.2 Ų49.223%0.22625%0.249CC..EExtended strand (participates in β ladder)trans-124.4139.217265.1-176.3179.6-150.28111.4T87 L391 W445T87-R438 PolarHBondContact O-NH1 3.07Å; L391-R438 PolarHBondContact O-NH2 3.07Å; R438-W445 HydrophobicContact CG-CB 3.77Å; R438-W445 HydrophobicContact CG-CG 4.41Å; R438-W445 PolarHBondContact N-O 3.24Å; R438-W445 PolarHBondContact O-N 3.28Å
439I96.6Very high96.3Very high85 Ų8549.2 Ų49.244%0.43625%0.249SC..EExtended strand (participates in β ladder)trans-93.7120.3171.7-62.1174.7000107.7L421 E422 A425 R443 L444L421-I439 HydrophobicContact CB-CD1 4.17Å; L421-I439 HydrophobicContact CD1-CG2 4.36Å; E422-I439 HydrophobicContact CG-CD1 4.17Å; A425-I439 HydrophobicContact CB-CD1 4.22Å; I439-R443 WeakPolarHBondContact CA-O 3.27Å; I439-L444 HydrophobicContact CG1-CD1 3.82Å
440Y93.6Very high96.4Very high158 Ų15844.2 Ų44.262%0.6223%0.233SC*.EExtended strand (participates in β ladder)trans-155.5142.4-178.7-179.9-105000110.6G442 R443 W445Y440-G442 VanDerWaalsContact C-N 3.3Å; Y440-G442 PolarHBondContact O-N 3.26Å; Y440-R443 PolarHBondContact N-O 3.1Å; Y440-R443 PolarHBondContact O-N 2.67Å; Y440-R443 VanDerWaalsContact O-O 3.13Å; Y440-W445 PolarHBondContact O-NE1 3.05Å
441D93.9Very high96.6Very high107 Ų10737 Ų3757%0.57220%0.2SC*.THydrogen-bonded Turntrans48.348.9178.4-170.143.8000113.2R443D441-R443 PolarHBondContact O-N 2.92Å; D441-R443 PolarHBondContact O-NH1 2.98Å; D441-R443 VanDerWaalsContact O-NH1 3.08Å; D441-R443 IonicContact OD2-CZ 2.73Å; D441-R443 IonicContact OD2-NH1 3.98Å; D441-R443 PolarHBondContact OD2-NH1 3.15Å
442G95.8Very high96.7Very high51 Ų5140.2 Ų40.253%0.52621%0.214SC..THydrogen-bonded Turntrans66.418.1177.700000115.3L421 Y440L421-G442 WeakPolarHBondContact CD1-O 3.31Å; Y440-G442 VanDerWaalsContact C-N 3.3Å; Y440-G442 PolarHBondContact O-N 3.26Å
443R97.6Very high97Very high55 Ų5540 Ų4021%0.20821%0.208CC..EExtended strand (participates in β ladder)trans-135.1151.9-179.9-55.6-180-173.985.8-6.8111.6F411 T412 I439 Y440 D441F411-R443 WeakPolarHBondContact O-CA 3.45Å; T412-R443 HydrophobicContact CG2-CG 4.28Å; T412-R443 WeakPolarHBondContact OG1-CD 3.31Å; T412-R443 WeakPolarHBondContact OG1-CG 3.29Å; T412-R443 PolarHBondContact OG1-NE 3.16Å; I439-R443 WeakPolarHBondContact CA-O 3.27Å; Y440-R443 PolarHBondContact N-O 3.1Å; Y440-R443 PolarHBondContact O-N 2.67Å; Y440-R443 VanDerWaalsContact O-O 3.13Å; D441-R443 PolarHBondContact O-N 2.92Å; D441-R443 PolarHBondContact O-NH1 2.98Å; D441-R443 VanDerWaalsContact O-NH1 3.08Å; D441-R443 IonicContact OD2-CZ 2.73Å; D441-R443 IonicContact OD2-NH1 3.98Å; D441-R443 PolarHBondContact OD2-NH1 3.15Å
444L98.2Very high97.1Very high2 Ų241 Ų411%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-90.1121.8161.9176.262.2000108.5T410 F411 L421 L424 A425 W428 I439T410-L444 CarbonylContact C-O 3.6Å; T410-L444 VanDerWaalsContact CA-O 3.31Å; T410-L444 WeakPolarHBondContact CA-O 3.44Å; F411-L444 HydrophobicContact CB-CB 4.33Å; F411-L444 PolarHBondContact N-O 2.89Å; F411-L444 PolarHBondContact O-N 3.13Å; L421-L444 HydrophobicContact CD2-CB 3.88Å; L424-L444 HydrophobicContact CD2-CD2 3.8Å; L424-L444 HydrophobicContact CG-CD2 4.05Å; A425-L444 HydrophobicContact CB-CD1 4.41Å; A425-L444 HydrophobicContact CB-CD2 4.35Å; W428-L444 HydrophobicContact CE3-CD2 3.72Å; W428-L444 HydrophobicContact CH2-CD2 3.93Å; W428-L444 HydrophobicContact CZ3-CD2 3.25Å; W428-L444 HydrophobicContact CZ3-CG 4.11Å; I439-L444 HydrophobicContact CG1-CD1 3.82Å
445W98.2Very high97.1Very high20 Ų2047.3 Ų47.38%0.07624%0.24CC..EExtended strand (participates in β ladder)trans-104.9130.3-178.5-63.473.2000110.4M388 C390 A408 T410 G437 R438 Y440M388-W445 HydrophobicContact CB-CH2 4.14Å; M388-W445 HydrophobicContact CB-CZ3 3.84Å; M388-W445 HydrophobicContact CE-CH2 3.87Å; M388-W445 HydrophobicContact CE-CZ2 4.47Å; M388-W445 HydrophobicContact SD-CH2 3.9Å; M388-W445 HydrophobicContact SD-CZ2 4.36Å; M388-W445 HydrophobicContact SD-CZ3 4.41Å; C390-W445 HydrophobicContact CB-CE3 4.21Å; C390-W445 HydrophobicContact CB-CZ3 3.99Å; A408-W445 HydrophobicContact CB-CE3 3.8Å; A408-W445 HydrophobicContact CB-CZ3 4.41Å; T410-W445 HydrophobicContact CG2-CD2 3.6Å; T410-W445 HydrophobicContact CG2-CE3 3.43Å; T410-W445 VanDerWaalsContact CG2-CE3 3.43Å; T410-W445 HydrophobicContact CG2-CG 4.18Å; T410-W445 HydrophobicContact CG2-CH2 4.15Å; T410-W445 HydrophobicContact CG2-CZ2 4.32Å; T410-W445 HydrophobicContact CG2-CZ3 3.72Å; G437-W445 VanDerWaalsContact CA-O 3.25Å; G437-W445 WeakPolarHBondContact CA-O 3.48Å; R438-W445 HydrophobicContact CG-CB 3.77Å; R438-W445 HydrophobicContact CG-CG 4.41Å; R438-W445 PolarHBondContact N-O 3.24Å; R438-W445 PolarHBondContact O-N 3.28Å; Y440-W445 PolarHBondContact O-NE1 3.05Å
446L98.6Very high97Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-11491.2169.8-59.1-172.8000108.5L86 A408 L409 F411 W428 V435 L448 F457 L461L86-L446 HydrophobicContact CB-CB 4.02Å; L86-L446 HydrophobicContact CB-CD2 4.02Å; L86-L446 HydrophobicContact CD1-CB 3.9Å; L86-L446 HydrophobicContact CD1-CD1 4Å; L86-L446 HydrophobicContact CD1-CD2 4.02Å; L86-L446 HydrophobicContact CD1-CG 4.2Å; A408-L446 CarbonylContact C-O 3.14Å; A408-L446 WeakPolarHBondContact CA-O 3.13Å; A408-L446 WeakPolarHBondContact CB-O 3.4Å; L409-L446 HydrophobicContact CB-CB 4.26Å; L409-L446 PolarHBondContact N-O 3.16Å; L409-L446 WeakPolarHBondContact O-CB 3.33Å; L409-L446 PolarHBondContact O-N 2.92Å; F411-L446 HydrophobicContact CE2-CD1 3.77Å; F411-L446 HydrophobicContact CE2-CG 4.24Å; F411-L446 HydrophobicContact CZ-CD1 4.48Å; W428-L446 HydrophobicContact CE3-CD2 4.41Å; W428-L446 HydrophobicContact CH2-CD1 3.98Å; W428-L446 HydrophobicContact CZ3-CD1 3.77Å; W428-L446 HydrophobicContact CZ3-CD2 3.81Å; W428-L446 HydrophobicContact CZ3-CG 4.09Å; V435-L446 HydrophobicContact CG1-CD2 4.38Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 WeakPolarHBondContact O-CD2 3.47Å; L446-L448 PolarHBondContact O-N 3.01Å; L446-F457 HydrophobicContact CD1-CE2 3.99Å; L446-F457 HydrophobicContact CD1-CZ 3.86Å; L446-L461 HydrophobicContact CD1-CD1 4.25Å
447D98.1Very high97Very high1 Ų149.2 Ų49.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-72.1118.4174.6179.3-12.2000109.2L86 G88 S392 S406 R449L86-D447 WeakPolarHBondContact CA-O 3.48Å; L86-D447 PolarHBondContact O-N 3.44Å; G88-D447 VanDerWaalsContact CA-CB 3.49Å; G88-D447 WeakPolarHBondContact CA-OD2 3.5Å; S392-D447 WeakPolarHBondContact CA-OD2 3.14Å; S392-D447 VanDerWaalsContact CB-OD2 3.28Å; S392-D447 WeakPolarHBondContact CB-OD2 3.37Å; S392-D447 PolarHBondContact OG-OD1 2.97Å; S392-D447 PolarHBondContact OG-OD2 3.3Å; S406-D447 WeakPolarHBondContact CB-OD1 3.34Å; S406-D447 PolarHBondContact OG-OD1 3.25Å; D447-R449 VanDerWaalsContact C-N 3.27Å; D447-R449 PolarHBondContact O-N 3.37Å; D447-R449 WeakPolarHBondContact OD1-CB 3.48Å; D447-R449 PolarHBondContact OD1-N 3.07Å
448L98.5Very high97Very high0 Ų050.3 Ų50.30%025%0.245CC..G310 helixtrans-84.83.8-169.6-55.3-167.7000114L86 R359 I364 Q367 A368 L371 A407 L409 L446 C450 L451L86-L448 HydrophobicContact CD1-CD2 4.33Å; L86-L448 HydrophobicContact CD2-CD2 4.17Å; R359-L448 PolarHBondContact NH1-O 3.39Å; I364-L448 HydrophobicContact CG2-CB 3.76Å; Q367-L448 HydrophobicContact CG-CD1 4.08Å; Q367-L448 PolarHBondContact OE1-O 3.18Å; A368-L448 VanDerWaalsContact CA-CD1 3.45Å; A368-L448 HydrophobicContact CB-CD1 3.6Å; L371-L448 HydrophobicContact CD1-CD1 3.99Å; A407-L448 PolarHBondContact O-N 2.98Å; A407-L448 VanDerWaalsContact O-N 3.09Å; L409-L448 HydrophobicContact CD1-CD1 4.03Å; L409-L448 HydrophobicContact CD1-CD2 4.25Å; L409-L448 HydrophobicContact CG-CD1 4.23Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 WeakPolarHBondContact O-CD2 3.47Å; L446-L448 PolarHBondContact O-N 3.01Å; L448-C450 PolarHBondContact O-N 3.29Å; L448-C450 VanDerWaalsContact O-N 3.12Å; L448-L451 HydrophobicContact CB-CB 4.34Å; L448-L451 HydrophobicContact CD1-CD2 4.47Å; L448-L451 HydrophobicContact CD2-CD2 3.99Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 3.3Å
449R97.8Very high97Very high4 Ų450.3 Ų50.32%0.01525%0.248CC..G310 helixtrans-39.1-52.9174.4176.970.859-163.21112.9V90 L356 R359 I364 S392 L404 P405 S406 D447V90-R449 HydrophobicContact CG2-CG 3.82Å; L356-R449 WeakPolarHBondContact O-CD 3.49Å; R359-R449 PolarHBondContact NH1-O 2.97Å; R359-R449 PolarHBondContact O-NH1 3.37Å; I364-R449 VanDerWaalsContact CD1-CZ 3.47Å; S392-R449 PolarHBondContact OG-NE 3.5Å; S392-R449 PolarHBondContact OG-NH2 3.49Å; L404-R449 PolarHBondContact O-NH2 3.19Å; P405-R449 PolarHBondContact O-NH2 3.15Å; S406-R449 VanDerWaalsContact CB-NH2 3.32Å; D447-R449 VanDerWaalsContact C-N 3.27Å; D447-R449 PolarHBondContact O-N 3.37Å; D447-R449 WeakPolarHBondContact OD1-CB 3.48Å; D447-R449 PolarHBondContact OD1-N 3.07Å
450C97.8Very high97Very high22 Ų2246.5 Ų46.515%0.14923%0.229CC..G310 helixtrans-93.16.2-173.3-61.40000113.9N85 L356 L448 E452N85-C450 VanDerWaalsContact O-CB 3.3Å; N85-C450 WeakPolarHBondContact O-CB 3.45Å; L356-C450 HydrophobicContact CD1-CB 4.47Å; L448-C450 PolarHBondContact O-N 3.29Å; L448-C450 VanDerWaalsContact O-N 3.12Å; C450-E452 PolarHBondContact O-N 3.43Å
451L98.1Very high97.1Very high4 Ų439 Ų392%0.02120%0.199CC..  trans-84105.2178.6-177.959.4000111.2I84 L86 R359 Q367 L371 L448 F457I84-L451 HydrophobicContact CG2-CD1 4.06Å; L86-L451 HydrophobicContact CD2-CB 3.78Å; L86-L451 HydrophobicContact CD2-CD1 4.46Å; R359-L451 PolarHBondContact NH1-O 3.18Å; R359-L451 VanDerWaalsContact NH1-O 3.1Å; Q367-L451 PolarHBondContact NE2-O 3.21Å; Q367-L451 PolarHBondContact OE1-O 3.04Å; L371-L451 HydrophobicContact CD1-CD2 3.51Å; L448-L451 HydrophobicContact CB-CB 4.34Å; L448-L451 HydrophobicContact CD1-CD2 4.47Å; L448-L451 HydrophobicContact CD2-CD2 3.99Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 3.3Å; L451-F457 HydrophobicContact CD1-CB 3.7Å; L451-F457 HydrophobicContact CD1-CD2 4.44Å; L451-F457 HydrophobicContact CD1-CG 4.04Å; L451-F457 HydrophobicContact CD2-CB 4.41Å; L451-F457 HydrophobicContact CD2-CD1 3.89Å; L451-F457 HydrophobicContact CD2-CE1 4.28Å; L451-F457 HydrophobicContact CD2-CG 4.07Å
452E95.5Very high97.2Very high96 Ų9636.9 Ų36.945%0.44919%0.187SC..  trans-100.5-34.4175.5-57.9-162.1103.800113R355 L356 C450R355-E452 IonicContact CZ-OE1 3.11Å; R355-E452 IonicContact NE-OE1 2.7Å; R355-E452 PolarHBondContact NE-OE1 3.47Å; R355-E452 VanDerWaalsContact NH2-CD 3.28Å; R355-E452 IonicContact NH2-OE1 2.92Å; R355-E452 PolarHBondContact NH2-OE1 3.18Å; R355-E452 IonicContact NH2-OE2 3.85Å; R355-E452 PolarHBondContact NH2-OE2 2.88Å; L356-E452 HydrophobicContact CD2-CG 4.04Å; C450-E452 PolarHBondContact O-N 3.43Å
453D96.5Very high96.5Very high91 Ų9143.4 Ų43.449%0.48720%0.201SC..  trans-106.692-177.7-171.5-15.8000111.8Q455 R456 F457D453-Q455 VanDerWaalsContact C-N 3.34Å; D453-Q455 PolarHBondContact OD1-N 3.28Å; D453-Q455 VanDerWaalsContact OD1-N 3.17Å; D453-R456 HydrophobicContact CB-CB 4.11Å; D453-R456 WeakPolarHBondContact OD1-CB 3.13Å; D453-R456 PolarHBondContact OD1-N 3.31Å; D453-R456 WeakPolarHBondContact OD2-CB 3.11Å; D453-F457 WeakPolarHBondContact O-CB 3.33Å; D453-F457 PolarHBondContact O-N 3.4Å; D453-F457 VanDerWaalsContact O-N 3.16Å
454E96.7Very high96.5Very high39 Ų3942.8 Ų42.818%0.18220%0.201CC..Hα-helixtrans-65.4-36.5178.1-70.2-175.6-160.600112.7Q367 R370 L371 F457 L458Q367-E454 HydrophobicContact CG-CG 4.35Å; Q367-E454 WeakPolarHBondContact CG-OE1 3.38Å; Q367-E454 PolarHBondContact NE2-OE1 2.86Å; R370-E454 IonicContact CZ-OE1 2.69Å; R370-E454 IonicContact CZ-OE2 3.4Å; R370-E454 IonicContact NE-OE1 3.5Å; R370-E454 IonicContact NE-OE2 2.83Å; R370-E454 PolarHBondContact NE-OE2 2.92Å; R370-E454 IonicContact NH2-OE1 3.21Å; R370-E454 PolarHBondContact NH2-OE1 3.17Å; R370-E454 IonicContact NH2-OE2 3.4Å; R370-E454 PolarHBondContact NH2-OE2 3.17Å; L371-E454 HydrophobicContact CD1-CG 4.25Å; L371-E454 HydrophobicContact CD2-CB 4.17Å; L371-E454 HydrophobicContact CD2-CG 4.19Å; E454-F457 PolarHBondContact O-N 3.04Å; E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.02Å
455Q96.6Very high96.4Very high136 Ų13644.9 Ų44.964%0.63621%0.211SC*.Hα-helixtrans-66-49.6-177.9-179-179.1-21.800109.7D453 F457 L458 E459D453-Q455 VanDerWaalsContact C-N 3.34Å; D453-Q455 PolarHBondContact OD1-N 3.28Å; D453-Q455 VanDerWaalsContact OD1-N 3.17Å; Q455-F457 VanDerWaalsContact C-N 3.27Å; Q455-F457 PolarHBondContact O-N 3.44Å; Q455-L458 PolarHBondContact O-N 3.42Å; Q455-E459 HydrophobicContact CG-CG 4.5Å; Q455-E459 PolarHBondContact NE2-OE1 3.34Å; Q455-E459 WeakPolarHBondContact O-CB 3.35Å; Q455-E459 WeakPolarHBondContact O-CG 3.28Å; Q455-E459 PolarHBondContact O-N 3.08Å
456R96.6Very high96.3Very high82 Ų8246.3 Ų46.331%0.30922%0.218SC..Hα-helixtrans-62-38.5177.9-175.155.6171.1-166-5.8111.9I84 D453 E459 M460I84-R456 HydrophobicContact CD1-CG 4.43Å; D453-R456 HydrophobicContact CB-CB 4.11Å; D453-R456 WeakPolarHBondContact OD1-CB 3.13Å; D453-R456 PolarHBondContact OD1-N 3.31Å; D453-R456 WeakPolarHBondContact OD2-CB 3.11Å; R456-E459 IonicContact NH1-OE2 3Å; R456-E459 PolarHBondContact NH1-OE2 2.83Å; R456-E459 PolarHBondContact O-N 3.41Å; R456-M460 VanDerWaalsContact O-CG 3.31Å; R456-M460 WeakPolarHBondContact O-CG 3.37Å; R456-M460 PolarHBondContact O-N 2.65Å
457F98Very high96.1Very high0 Ų049.1 Ų49.10%023%0.231CC..Hα-helixtrans-60.8-48.9175.7171.6-111.4000112.6I84 L86 L371 L375 L409 V435 L446 L451 D453 E454 Q455 M460 L461I84-F457 HydrophobicContact CD1-CB 4.04Å; I84-F457 HydrophobicContact CD1-CD2 4.28Å; I84-F457 HydrophobicContact CG2-CD2 4.38Å; L86-F457 HydrophobicContact CD1-CD2 3.95Å; L86-F457 HydrophobicContact CD1-CE2 3.42Å; L86-F457 VanDerWaalsContact CD1-CE2 3.42Å; L86-F457 HydrophobicContact CD1-CZ 4.15Å; L371-F457 HydrophobicContact CD1-CD1 4.02Å; L371-F457 HydrophobicContact CD1-CE1 3.95Å; L371-F457 HydrophobicContact CD2-CD1 4.24Å; L375-F457 HydrophobicContact CD1-CE1 3.92Å; L375-F457 HydrophobicContact CD1-CZ 4.09Å; L409-F457 HydrophobicContact CD1-CE1 4.26Å; L409-F457 HydrophobicContact CD1-CZ 4.34Å; V435-F457 HydrophobicContact CG1-CD2 4.48Å; V435-F457 HydrophobicContact CG1-CE2 4.13Å; L446-F457 HydrophobicContact CD1-CE2 3.99Å; L446-F457 HydrophobicContact CD1-CZ 3.86Å; L451-F457 HydrophobicContact CD1-CB 3.7Å; L451-F457 HydrophobicContact CD1-CD2 4.44Å; L451-F457 HydrophobicContact CD1-CG 4.04Å; L451-F457 HydrophobicContact CD2-CB 4.41Å; L451-F457 HydrophobicContact CD2-CD1 3.89Å; L451-F457 HydrophobicContact CD2-CE1 4.28Å; L451-F457 HydrophobicContact CD2-CG 4.07Å; D453-F457 WeakPolarHBondContact O-CB 3.33Å; D453-F457 PolarHBondContact O-N 3.4Å; D453-F457 VanDerWaalsContact O-N 3.16Å; E454-F457 PolarHBondContact O-N 3.04Å; Q455-F457 VanDerWaalsContact C-N 3.27Å; Q455-F457 PolarHBondContact O-N 3.44Å; F457-M460 PolarHBondContact O-N 2.86Å; F457-L461 HydrophobicContact CD2-CD1 4.09Å; F457-L461 HydrophobicContact CD2-CG 4.19Å; F457-L461 HydrophobicContact CE1-CD1 4.13Å; F457-L461 HydrophobicContact CE2-CD1 3.27Å; F457-L461 HydrophobicContact CE2-CG 3.85Å; F457-L461 HydrophobicContact CZ-CD1 3.3Å; F457-L461 HydrophobicContact CZ-CG 4.24Å; F457-L461 PolarHBondContact O-N 3.46Å
458L97.7Very high96Very high43 Ų4352.1 Ų52.123%0.22525%0.245CC..Hα-helixtrans-65.3-39.4176.7-68.3175.5000111.9L371 P374 L375 E454 Q455 M460 L461 L462L371-L458 HydrophobicContact CD2-CD1 3.89Å; L371-L458 HydrophobicContact CD2-CD2 3.85Å; L371-L458 HydrophobicContact CD2-CG 3.85Å; P374-L458 HydrophobicContact CG-CD2 4Å; L375-L458 HydrophobicContact CD2-CD2 4.48Å; L375-L458 HydrophobicContact CG-CD2 4.47Å; E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.02Å; Q455-L458 PolarHBondContact O-N 3.42Å; L458-M460 PolarHBondContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 3.35Å; L458-L462 HydrophobicContact CB-CD1 4.15Å; L458-L462 HydrophobicContact CD2-CD1 4.08Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 3.03Å; L458-L462 WeakPolarHBondContact O-CG 3.41Å; L458-L462 PolarHBondContact O-N 3.26Å
459E96.7Very high95.8Very high61 Ų6155.5 Ų55.529%0.28526%0.262SS..Hα-helixtrans-58.7-34.5174.1-77.4175.8-167.700112.9Q455 R456 K463Q455-E459 HydrophobicContact CG-CG 4.5Å; Q455-E459 PolarHBondContact NE2-OE1 3.34Å; Q455-E459 WeakPolarHBondContact O-CB 3.35Å; Q455-E459 WeakPolarHBondContact O-CG 3.28Å; Q455-E459 PolarHBondContact O-N 3.08Å; R456-E459 IonicContact NH1-OE2 3Å; R456-E459 PolarHBondContact NH1-OE2 2.83Å; R456-E459 PolarHBondContact O-N 3.41Å; E459-K463 WeakPolarHBondContact O-CD 3.36Å; E459-K463 WeakPolarHBondContact O-CE 3.39Å; E459-K463 WeakPolarHBondContact O-CG 3.42Å
460M96.8Very high95.7Very high5 Ų559.2 Ų59.23%0.02528%0.279CS..Hα-helixtrans-78.6-36178.2-69.5-54.19100112I84 L431 P432 V433 V435 R456 F457 L458I84-M460 HydrophobicContact CD1-CG 4.37Å; L431-M460 HydrophobicContact CD1-CB 4.13Å; L431-M460 WeakPolarHBondContact CD1-O 3.38Å; P432-M460 HydrophobicContact CB-SD 4.4Å; V433-M460 HydrophobicContact CB-CG 4.03Å; V433-M460 HydrophobicContact CB-SD 3.76Å; V433-M460 HydrophobicContact CG2-SD 4.3Å; V433-M460 PolarHBondContact N-SD 3.36Å; V435-M460 HydrophobicContact CG2-CB 4.13Å; R456-M460 VanDerWaalsContact O-CG 3.31Å; R456-M460 WeakPolarHBondContact O-CG 3.37Å; R456-M460 PolarHBondContact O-N 2.65Å; F457-M460 PolarHBondContact O-N 2.86Å; L458-M460 PolarHBondContact O-N 3.12Å
461L96.7Very high95.5Very high0 Ų062.1 Ų62.10%029%0.289CS..Hα-helixtrans-90.8-15.7-174.6-66.6-159.4000115.2L375 Y379 W428 L431 V435 L446 F457 L458L375-L461 HydrophobicContact CD1-CD1 4.5Å; L375-L461 HydrophobicContact CD2-CB 3.83Å; L375-L461 HydrophobicContact CD2-CD1 3.75Å; L375-L461 HydrophobicContact CD2-CG 4.47Å; Y379-L461 HydrophobicContact CE2-CB 4.4Å; Y379-L461 WeakPolarHBondContact CE2-O 3.29Å; Y379-L461 PolarHBondContact OH-O 3.08Å; W428-L461 HydrophobicContact CD2-CD2 3.78Å; W428-L461 VanDerWaalsContact CE2-CD2 3.49Å; W428-L461 HydrophobicContact CE3-CD2 4.45Å; W428-L461 HydrophobicContact CG-CD2 4.01Å; W428-L461 HydrophobicContact CH2-CD1 4.27Å; W428-L461 HydrophobicContact CZ2-CD1 4.05Å; W428-L461 HydrophobicContact CZ2-CD2 3.94Å; L431-L461 HydrophobicContact CD1-CD2 4.19Å; V435-L461 HydrophobicContact CB-CD2 4.19Å; V435-L461 HydrophobicContact CG1-CD2 4.38Å; V435-L461 HydrophobicContact CG2-CD2 3.82Å; L446-L461 HydrophobicContact CD1-CD1 4.25Å; F457-L461 HydrophobicContact CD2-CD1 4.09Å; F457-L461 HydrophobicContact CD2-CG 4.19Å; F457-L461 HydrophobicContact CE1-CD1 4.13Å; F457-L461 HydrophobicContact CE2-CD1 3.27Å; F457-L461 HydrophobicContact CE2-CG 3.85Å; F457-L461 HydrophobicContact CZ-CD1 3.3Å; F457-L461 HydrophobicContact CZ-CG 4.24Å; F457-L461 PolarHBondContact O-N 3.46Å; L458-L461 PolarHBondContact O-N 3.35Å
462L95.4Very high95.3Very high63 Ų6366.9 Ų66.933%0.3331%0.312SS..  trans-112.4-1.5-175.8-57.9179.6000114.3P374 L375 H378 L458P374-L462 HydrophobicContact CB-CD1 4.16Å; L375-L462 HydrophobicContact CD2-CD2 4.1Å; H378-L462 HydrophobicContact CB-CD2 3.54Å; L458-L462 HydrophobicContact CB-CD1 4.15Å; L458-L462 HydrophobicContact CD2-CD1 4.08Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 3.03Å; L458-L462 WeakPolarHBondContact O-CG 3.41Å; L458-L462 PolarHBondContact O-N 3.26Å
463K80.8Confident95.3Very high187 Ų18764.3 Ų64.381%0.81330%0.299SS*.  trans-84.70168.7-75178.3-168.4177.30109.6E459E459-K463 WeakPolarHBondContact O-CD 3.36Å; E459-K463 WeakPolarHBondContact O-CE 3.39Å; E459-K463 WeakPolarHBondContact O-CG 3.42Å

Retrieved 463 of 463 residues in 3479.7 ms (Link to these results)

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